Contact
One of our experts will contact you as soon as possible to discuss your needs and organize a tailor-made demo of the platform.
In this article, we will go through a general description of molecular docking with a few examples, and see how we can run such algorithms on Qarnot platform.
Molecular docking is a method to predict the binding of two molecules:
It is essential in drug design: a lab will analyze the binding of thousands of molecules (called ligands, usually small molecules) with another molecule (called the receptor, usually a protein, with thousands of atoms) and check the best matching molecule, and its configuration. Let’s take a practical example with enzymes: enzymes accelerate chemical reaction when they bind to a specific substrate. To prevent this to happen, a drug can be designed to modify the shape of the enzyme, and therefore prevent the binding of the substrate.
A famous example is the penicillin (used in antibiotics). A bacteria is surrounded by a cell wall. The penicillin binds to the bacteria molecule in charge of maintaining this wall (called DD-transpeptidase), modifies it, and therefore prevents it from building the wall. After some time, the bacteria finally bursts and dies.
Two comments on this algorithm:
The following Vina configuration file can be used to set this computation:
receptor = hsg1.pdbqt
ligand = ind.pdbqt
center_x = 2.5
center_y = 6.5
center_z = -7.5
size_x = 22.5
size_y = 22.5
size_z = 22.5
cpu = 16
out = results.pdbqtHere we specify the receptor, the ligand, the center and size of the grid, and the number of cores on which the computation will run.
You can then run the following python script on Qarnot’s sustainable HPC platform: it will create buckets to gather the inputs (configuration files, and the two molecules), and will launch the task to one of our servers. Once the task is done, it will put its result in the output bucket.
## run.py
<details><summary>Click to see the code</summary>
<p>
```
#!/usr/bin/env python3
import qarnot
import sys
# Create a connection, from which all other objects will be derived
# Enter client token here
conn = qarnot.connection.Connection(client_token='<<<XXX put your token here XXX>>>')
# Create a task
task = conn.create_task("autodock_vina_test", "docker-batch", 1)
# Store if an error happened during the process
error_happened = False
try:
# Create a resource bucket and add the content of resources_vina_qarnot into it
input_bucket = conn.create_bucket("vina-input")
input_bucket.sync_directory("resources_vina_qarnot")
# Attach the bucket to the task
task.resources.append(input_bucket)
# Create a result bucket and attach it to the task
output_bucket = conn.create_bucket("vina-output")
task.results = output_bucket
# Task constants are the main way of controlling a task's behaviour
task.constants["DOCKER_REPO"] = "qarnotlab/autodock"
task.constants["DOCKER_TAG"] = "latest"
# Set the command to run when launching the container, by overriding a
# constant.
task.constants['DOCKER_CMD'] = "vina --config config.txt"
# Submit the task to the Api, that will launch it on the cluster
task.submit()
# Wait for the task to be finished, and monitor the progress of its
# deployment
last_state = ''
done = False
while not done:
if task.state != last_state:
last_state = task.state
print("** {}".format(last_state))
# Wait for the task to complete, with a timeout of 5 seconds.
# This will return True as soon as the task is complete, or False
# after the timeout.
done = task.wait(5)
# Display fresh stdout / stderr
sys.stdout.write(task.fresh_stdout())
sys.stderr.write(task.fresh_stderr())
# Display errors on failure
if task.state == 'Failure':
print("** Errors: %s" % task.errors[0])
error_happened = True
finally:
# Exit code in case of error
if error_happened:
sys.exit(1)
```
</p>
</details>run.py script.Molecule 1:
## ind.pdbqt
<details><summary>Click to see the code</summary>
<p>
```
REMARK 4 1HSG COMPLIES WITH FORMAT V. 2.0, 11-OCT-2000
ROOT
HETATM 1 N1 IND I 201 -3.884 -2.421 -3.900 1.00 28.25 N
HETATM 2 C1 IND I 201 -3.646 -0.958 -4.031 1.00 30.30 C
HETATM 3 C2 IND I 201 -3.232 -0.342 -5.352 1.00 27.27 C
HETATM 4 C3 IND I 201 -3.013 1.132 -5.140 1.00 28.85 C
HETATM 5 O1 IND I 201 -2.070 1.525 -4.464 1.00 29.59 O
HETATM 6 N2 IND I 201 -3.881 1.953 -5.698 1.00 22.29 N
HETATM 7 C4 IND I 201 -3.908 3.380 -5.739 1.00 23.47 C
HETATM 8 C5 IND I 201 -5.273 3.785 -6.326 1.00 27.66 C
HETATM 9 C6 IND I 201 -2.879 3.927 -6.487 1.00 21.71 C
HETATM 10 C7 IND I 201 -3.878 4.005 -4.413 1.00 22.75 C
HETATM 11 N3 IND I 201 -1.962 -1.090 -5.654 1.00 28.91 N
HETATM 12 C8 IND I 201 -1.905 -2.547 -5.378 1.00 26.24 C
HETATM 13 C9 IND I 201 -2.680 -3.065 -4.184 1.00 27.47 C
HETATM 14 C10 IND I 201 -1.311 -0.822 -6.920 1.00 20.86 C
HETATM 15 C11 IND I 201 0.179 -0.499 -6.803 1.00 21.68 C
HETATM 16 O2 IND I 201 0.484 -0.830 -8.124 1.00 15.87 O
HETATM 17 C12 IND I 201 0.740 0.907 -6.523 1.00 21.49 C
HETATM 18 C13 IND I 201 2.252 1.135 -6.391 1.00 26.89 C
HETATM 19 C14 IND I 201 2.599 2.609 -6.125 1.00 28.67 C
HETATM 20 C15 IND I 201 4.061 2.833 -5.989 1.00 26.89 C
HETATM 21 C16 IND I 201 4.978 2.414 -6.953 1.00 29.22 C
HETATM 22 C17 IND I 201 6.339 2.611 -6.767 1.00 29.22 C
HETATM 23 C18 IND I 201 6.774 3.236 -5.596 1.00 30.97 C
HETATM 24 C19 IND I 201 5.856 3.665 -4.630 1.00 29.25 C
HETATM 25 C20 IND I 201 4.490 3.460 -4.832 1.00 29.96 C
HETATM 26 C21 IND I 201 2.866 0.277 -5.291 1.00 29.35 C
HETATM 27 O3 IND I 201 2.350 0.233 -4.164 1.00 32.66 O
HETATM 28 N4 IND I 201 4.027 -0.296 -5.596 1.00 31.19 N
HETATM 29 C22 IND I 201 4.890 -0.860 -4.571 1.00 29.22 C
HETATM 30 C23 IND I 201 6.361 -0.677 -4.902 1.00 28.82 C
HETATM 31 O4 IND I 201 6.561 -0.743 -6.306 1.00 28.32 O
HETATM 32 C24 IND I 201 7.079 -1.760 -4.129 1.00 32.05 C
HETATM 33 C25 IND I 201 6.203 -2.978 -3.983 1.00 31.29 C
HETATM 34 C26 IND I 201 6.370 -4.317 -3.716 1.00 32.00 C
HETATM 35 C27 IND I 201 5.237 -5.138 -3.712 1.00 28.00 C
HETATM 36 C28 IND I 201 3.963 -4.609 -3.972 1.00 29.01 C
HETATM 37 C29 IND I 201 3.766 -3.264 -4.254 1.00 27.70 C
HETATM 38 C30 IND I 201 4.800 -2.382 -4.287 1.00 31.86 C
HETATM 39 C31 IND I 201 -4.558 -2.886 -2.682 1.00 36.25 C
HETATM 40 C32 IND I 201 -5.993 -2.460 -2.351 1.00 42.75 C
HETATM 41 C33 IND I 201 -7.118 -2.997 -2.993 1.00 47.41 C
HETATM 42 N5 IND I 201 -8.459 -2.673 -2.731 1.00 51.38 N
HETATM 43 C34 IND I 201 -8.548 -1.719 -1.719 1.00 50.60 C
HETATM 44 C35 IND I 201 -7.470 -1.143 -1.039 1.00 49.34 C
HETATM 45 C36 IND I 201 -6.168 -1.520 -1.359 1.00 44.71 C
HETATM 46 H1 IND I 201 -2.843 -0.711 -3.337 1.00 0.00 H
HETATM 47 H2 IND I 201 -4.583 -0.467 -3.769 1.00 0.00 H
HETATM 48 H3 IND I 201 -4.031 -0.509 -6.075 1.00 0.00 H
HETATM 49 H4 IND I 201 -4.664 1.491 -6.182 1.00 0.00 H
HETATM 50 H5 IND I 201 -5.339 4.872 -6.376 1.00 0.00 H
HETATM 51 H6 IND I 201 -5.376 3.369 -7.328 1.00 0.00 H
HETATM 52 H7 IND I 201 -6.071 3.403 -5.690 1.00 0.00 H
HETATM 53 H8 IND I 201 -2.960 5.014 -6.476 1.00 0.00 H
HETATM 54 H9 IND I 201 -1.921 3.631 -6.060 1.00 0.00 H
HETATM 55 H10 IND I 201 -2.945 3.569 -7.514 1.00 0.00 H
HETATM 56 1H1 IND I 201 -3.902 5.089 -4.521 1.00 0.00 H
HETATM 57 2H1 IND I 201 -4.744 3.679 -3.837 1.00 0.00 H
HETATM 58 3H1 IND I 201 -2.966 3.712 -3.894 1.00 0.00 H
HETATM 59 4H1 IND I 201 -0.861 -2.806 -5.205 1.00 0.00 H
HETATM 60 5H1 IND I 201 -2.303 -3.062 -6.252 1.00 0.00 H
HETATM 61 6H1 IND I 201 -2.902 -4.114 -4.381 1.00 0.00 H
HETATM 62 7H1 IND I 201 -2.032 -2.958 -3.314 1.00 0.00 H
HETATM 63 8H1 IND I 201 -1.800 0.035 -7.383 1.00 0.00 H
HETATM 64 9H1 IND I 201 -1.409 -1.706 -7.550 1.00 0.00 H
HETATM 65 H20 IND I 201 0.688 -1.098 -6.049 1.00 0.00 H
HETATM 66 H21 IND I 201 0.517 0.027 -8.694 1.00 0.00 H
HETATM 67 2H2 IND I 201 0.315 1.231 -5.572 1.00 0.00 H
HETATM 68 3H2 IND I 201 0.423 1.542 -7.350 1.00 0.00 H
HETATM 69 H24 IND I 201 2.793 0.846 -7.293 1.00 0.00 H
HETATM 70 5H2 IND I 201 2.145 2.985 -5.208 1.00 0.00 H
HETATM 71 6H2 IND I 201 2.262 3.268 -6.926 1.00 0.00 H
HETATM 72 H27 IND I 201 4.623 1.927 -7.861 1.00 0.00 H
HETATM 73 H28 IND I 201 7.055 2.285 -7.521 1.00 0.00 H
HETATM 74 H29 IND I 201 7.840 3.391 -5.433 1.00 0.00 H
HETATM 75 H30 IND I 201 6.206 4.158 -3.723 1.00 0.00 H
HETATM 76 H31 IND I 201 3.769 3.790 -4.085 1.00 0.00 H
HETATM 77 H32 IND I 201 4.322 -0.340 -6.582 1.00 0.00 H
HETATM 78 H33 IND I 201 4.726 -0.396 -3.598 1.00 0.00 H
HETATM 79 H34 IND I 201 6.712 0.291 -4.545 1.00 0.00 H
HETATM 80 H35 IND I 201 6.510 0.205 -6.706 1.00 0.00 H
HETATM 81 6H3 IND I 201 7.344 -1.408 -3.132 1.00 0.00 H
HETATM 82 7H3 IND I 201 7.994 -2.056 -4.641 1.00 0.00 H
HETATM 83 H38 IND I 201 7.359 -4.728 -3.514 1.00 0.00 H
HETATM 84 H39 IND I 201 5.345 -6.202 -3.505 1.00 0.00 H
HETATM 85 H40 IND I 201 3.101 -5.275 -3.951 1.00 0.00 H
HETATM 86 H41 IND I 201 2.756 -2.907 -4.455 1.00 0.00 H
HETATM 87 2H4 IND I 201 -3.957 -2.537 -1.843 1.00 0.00 H
HETATM 88 3H4 IND I 201 -4.591 -3.974 -2.742 1.00 0.00 H
HETATM 89 H44 IND I 201 -6.934 -3.738 -3.771 1.00 0.00 H
HETATM 90 H45 IND I 201 -9.547 -1.392 -1.431 1.00 0.00 H
HETATM 91 H46 IND I 201 -7.648 -0.402 -0.261 1.00 0.00 H
HETATM 92 H47 IND I 201 -5.314 -1.084 -0.840 1.00 0.00 H
ENDROOT
TORSDOF 5
```
</p>
</details>## ind.pdbqt
<details><summary>Click to see the code</summary>
<p>
```
REMARK 4 1HSG COMPLIES WITH FORMAT V. 2.0, 11-OCT-2000
ROOT
HETATM 1 N1 IND I 201 -3.884 -2.421 -3.900 1.00 28.25 N
HETATM 2 C1 IND I 201 -3.646 -0.958 -4.031 1.00 30.30 C
HETATM 3 C2 IND I 201 -3.232 -0.342 -5.352 1.00 27.27 C
HETATM 4 C3 IND I 201 -3.013 1.132 -5.140 1.00 28.85 C
HETATM 5 O1 IND I 201 -2.070 1.525 -4.464 1.00 29.59 O
HETATM 6 N2 IND I 201 -3.881 1.953 -5.698 1.00 22.29 N
HETATM 7 C4 IND I 201 -3.908 3.380 -5.739 1.00 23.47 C
HETATM 8 C5 IND I 201 -5.273 3.785 -6.326 1.00 27.66 C
HETATM 9 C6 IND I 201 -2.879 3.927 -6.487 1.00 21.71 C
HETATM 10 C7 IND I 201 -3.878 4.005 -4.413 1.00 22.75 C
HETATM 11 N3 IND I 201 -1.962 -1.090 -5.654 1.00 28.91 N
HETATM 12 C8 IND I 201 -1.905 -2.547 -5.378 1.00 26.24 C
HETATM 13 C9 IND I 201 -2.680 -3.065 -4.184 1.00 27.47 C
HETATM 14 C10 IND I 201 -1.311 -0.822 -6.920 1.00 20.86 C
HETATM 15 C11 IND I 201 0.179 -0.499 -6.803 1.00 21.68 C
HETATM 16 O2 IND I 201 0.484 -0.830 -8.124 1.00 15.87 O
HETATM 17 C12 IND I 201 0.740 0.907 -6.523 1.00 21.49 C
HETATM 18 C13 IND I 201 2.252 1.135 -6.391 1.00 26.89 C
HETATM 19 C14 IND I 201 2.599 2.609 -6.125 1.00 28.67 C
HETATM 20 C15 IND I 201 4.061 2.833 -5.989 1.00 26.89 C
HETATM 21 C16 IND I 201 4.978 2.414 -6.953 1.00 29.22 C
HETATM 22 C17 IND I 201 6.339 2.611 -6.767 1.00 29.22 C
HETATM 23 C18 IND I 201 6.774 3.236 -5.596 1.00 30.97 C
HETATM 24 C19 IND I 201 5.856 3.665 -4.630 1.00 29.25 C
HETATM 25 C20 IND I 201 4.490 3.460 -4.832 1.00 29.96 C
HETATM 26 C21 IND I 201 2.866 0.277 -5.291 1.00 29.35 C
HETATM 27 O3 IND I 201 2.350 0.233 -4.164 1.00 32.66 O
HETATM 28 N4 IND I 201 4.027 -0.296 -5.596 1.00 31.19 N
HETATM 29 C22 IND I 201 4.890 -0.860 -4.571 1.00 29.22 C
HETATM 30 C23 IND I 201 6.361 -0.677 -4.902 1.00 28.82 C
HETATM 31 O4 IND I 201 6.561 -0.743 -6.306 1.00 28.32 O
HETATM 32 C24 IND I 201 7.079 -1.760 -4.129 1.00 32.05 C
HETATM 33 C25 IND I 201 6.203 -2.978 -3.983 1.00 31.29 C
HETATM 34 C26 IND I 201 6.370 -4.317 -3.716 1.00 32.00 C
HETATM 35 C27 IND I 201 5.237 -5.138 -3.712 1.00 28.00 C
HETATM 36 C28 IND I 201 3.963 -4.609 -3.972 1.00 29.01 C
HETATM 37 C29 IND I 201 3.766 -3.264 -4.254 1.00 27.70 C
HETATM 38 C30 IND I 201 4.800 -2.382 -4.287 1.00 31.86 C
HETATM 39 C31 IND I 201 -4.558 -2.886 -2.682 1.00 36.25 C
HETATM 40 C32 IND I 201 -5.993 -2.460 -2.351 1.00 42.75 C
HETATM 41 C33 IND I 201 -7.118 -2.997 -2.993 1.00 47.41 C
HETATM 42 N5 IND I 201 -8.459 -2.673 -2.731 1.00 51.38 N
HETATM 43 C34 IND I 201 -8.548 -1.719 -1.719 1.00 50.60 C
HETATM 44 C35 IND I 201 -7.470 -1.143 -1.039 1.00 49.34 C
HETATM 45 C36 IND I 201 -6.168 -1.520 -1.359 1.00 44.71 C
HETATM 46 H1 IND I 201 -2.843 -0.711 -3.337 1.00 0.00 H
HETATM 47 H2 IND I 201 -4.583 -0.467 -3.769 1.00 0.00 H
HETATM 48 H3 IND I 201 -4.031 -0.509 -6.075 1.00 0.00 H
HETATM 49 H4 IND I 201 -4.664 1.491 -6.182 1.00 0.00 H
HETATM 50 H5 IND I 201 -5.339 4.872 -6.376 1.00 0.00 H
HETATM 51 H6 IND I 201 -5.376 3.369 -7.328 1.00 0.00 H
HETATM 52 H7 IND I 201 -6.071 3.403 -5.690 1.00 0.00 H
HETATM 53 H8 IND I 201 -2.960 5.014 -6.476 1.00 0.00 H
HETATM 54 H9 IND I 201 -1.921 3.631 -6.060 1.00 0.00 H
HETATM 55 H10 IND I 201 -2.945 3.569 -7.514 1.00 0.00 H
HETATM 56 1H1 IND I 201 -3.902 5.089 -4.521 1.00 0.00 H
HETATM 57 2H1 IND I 201 -4.744 3.679 -3.837 1.00 0.00 H
HETATM 58 3H1 IND I 201 -2.966 3.712 -3.894 1.00 0.00 H
HETATM 59 4H1 IND I 201 -0.861 -2.806 -5.205 1.00 0.00 H
HETATM 60 5H1 IND I 201 -2.303 -3.062 -6.252 1.00 0.00 H
HETATM 61 6H1 IND I 201 -2.902 -4.114 -4.381 1.00 0.00 H
HETATM 62 7H1 IND I 201 -2.032 -2.958 -3.314 1.00 0.00 H
HETATM 63 8H1 IND I 201 -1.800 0.035 -7.383 1.00 0.00 H
HETATM 64 9H1 IND I 201 -1.409 -1.706 -7.550 1.00 0.00 H
HETATM 65 H20 IND I 201 0.688 -1.098 -6.049 1.00 0.00 H
HETATM 66 H21 IND I 201 0.517 0.027 -8.694 1.00 0.00 H
HETATM 67 2H2 IND I 201 0.315 1.231 -5.572 1.00 0.00 H
HETATM 68 3H2 IND I 201 0.423 1.542 -7.350 1.00 0.00 H
HETATM 69 H24 IND I 201 2.793 0.846 -7.293 1.00 0.00 H
HETATM 70 5H2 IND I 201 2.145 2.985 -5.208 1.00 0.00 H
HETATM 71 6H2 IND I 201 2.262 3.268 -6.926 1.00 0.00 H
HETATM 72 H27 IND I 201 4.623 1.927 -7.861 1.00 0.00 H
HETATM 73 H28 IND I 201 7.055 2.285 -7.521 1.00 0.00 H
HETATM 74 H29 IND I 201 7.840 3.391 -5.433 1.00 0.00 H
HETATM 75 H30 IND I 201 6.206 4.158 -3.723 1.00 0.00 H
HETATM 76 H31 IND I 201 3.769 3.790 -4.085 1.00 0.00 H
HETATM 77 H32 IND I 201 4.322 -0.340 -6.582 1.00 0.00 H
HETATM 78 H33 IND I 201 4.726 -0.396 -3.598 1.00 0.00 H
HETATM 79 H34 IND I 201 6.712 0.291 -4.545 1.00 0.00 H
HETATM 80 H35 IND I 201 6.510 0.205 -6.706 1.00 0.00 H
HETATM 81 6H3 IND I 201 7.344 -1.408 -3.132 1.00 0.00 H
HETATM 82 7H3 IND I 201 7.994 -2.056 -4.641 1.00 0.00 H
HETATM 83 H38 IND I 201 7.359 -4.728 -3.514 1.00 0.00 H
HETATM 84 H39 IND I 201 5.345 -6.202 -3.505 1.00 0.00 H
HETATM 85 H40 IND I 201 3.101 -5.275 -3.951 1.00 0.00 H
HETATM 86 H41 IND I 201 2.756 -2.907 -4.455 1.00 0.00 H
HETATM 87 2H4 IND I 201 -3.957 -2.537 -1.843 1.00 0.00 H
HETATM 88 3H4 IND I 201 -4.591 -3.974 -2.742 1.00 0.00 H
HETATM 89 H44 IND I 201 -6.934 -3.738 -3.771 1.00 0.00 H
HETATM 90 H45 IND I 201 -9.547 -1.392 -1.431 1.00 0.00 H
HETATM 91 H46 IND I 201 -7.648 -0.402 -0.261 1.00 0.00 H
HETATM 92 H47 IND I 201 -5.314 -1.084 -0.840 1.00 0.00 H
ENDROOT
TORSDOF 5
```
</p>
</details>Molecule 2 :
## hsg1.pdbqt
<details><summary>Click to see the code</summary>
<p>
```
REMARK 4 1HSG COMPLIES WITH FORMAT V. 2.0, 31-AUG-2000
ATOM 1 N PRO A 1 -5.322 -15.656 -12.341 1.00 38.10 N
ATOM 2 CA PRO A 1 -4.275 -15.710 -13.408 1.00 40.62 C
ATOM 3 C PRO A 1 -2.894 -15.457 -12.807 1.00 42.64 C
ATOM 4 O PRO A 1 -2.786 -15.054 -11.648 1.00 43.40 O
ATOM 5 CB PRO A 1 -4.563 -14.653 -14.478 1.00 37.87 C
ATOM 6 CG PRO A 1 -5.364 -13.649 -13.775 1.00 38.40 C
ATOM 7 CD PRO A 1 -6.004 -14.394 -12.612 1.00 38.74 C
ATOM 8 N GLN A 2 -1.851 -15.719 -13.593 1.00 41.76 N
ATOM 9 CA GLN A 2 -0.499 -15.277 -13.261 1.00 41.30 C
ATOM 10 C GLN A 2 -0.126 -14.171 -14.241 1.00 41.38 C
ATOM 11 O GLN A 2 0.119 -14.403 -15.431 1.00 43.09 O
ATOM 12 CB GLN A 2 0.514 -16.420 -13.341 1.00 40.81 C
ATOM 13 CG GLN A 2 1.948 -15.969 -13.139 1.00 46.61 C
ATOM 14 CD GLN A 2 2.913 -17.121 -12.899 1.00 50.36 C
ATOM 15 OE1 GLN A 2 3.841 -17.354 -13.685 1.00 53.89 O
ATOM 16 NE2 GLN A 2 2.745 -17.805 -11.770 1.00 51.46 N
ATOM 17 N ILE A 3 -0.120 -12.957 -13.728 1.00 37.80 N
ATOM 18 CA ILE A 3 0.155 -11.812 -14.523 1.00 34.13 C
ATOM 19 C ILE A 3 1.656 -11.510 -14.442 1.00 33.19 C
ATOM 20 O ILE A 3 2.224 -11.420 -13.364 1.00 32.74 O
ATOM 21 CB ILE A 3 -0.728 -10.667 -14.015 1.00 34.34 C
ATOM 22 CG1 ILE A 3 -2.193 -10.995 -14.336 1.00 33.95 C
ATOM 23 CG2 ILE A 3 -0.290 -9.350 -14.617 1.00 33.06 C
ATOM 24 CD1 ILE A 3 -3.185 -9.996 -13.813 1.00 32.50 C
ATOM 25 N THR A 4 2.310 -11.450 -15.596 1.00 31.65 N
ATOM 26 CA THR A 4 3.710 -11.009 -15.675 1.00 30.14 C
ATOM 27 C THR A 4 3.752 -9.488 -15.830 1.00 29.74 C
ATOM 28 O THR A 4 2.706 -8.829 -16.034 1.00 27.88 O
ATOM 29 CB THR A 4 4.430 -11.638 -16.892 1.00 29.24 C
ATOM 30 OG1 THR A 4 3.671 -11.323 -18.066 1.00 27.60 O
ATOM 31 CG2 THR A 4 4.546 -13.153 -16.763 1.00 26.26 C
ATOM 32 N LEU A 5 4.953 -8.932 -15.724 1.00 29.27 N
ATOM 33 CA LEU A 5 5.123 -7.489 -15.548 1.00 30.12 C
ATOM 34 C LEU A 5 5.960 -6.837 -16.678 1.00 32.98 C
ATOM 35 O LEU A 5 6.503 -5.734 -16.518 1.00 32.32 O
ATOM 36 CB LEU A 5 5.764 -7.193 -14.176 1.00 26.21 C
ATOM 37 CG LEU A 5 4.924 -7.646 -12.976 1.00 24.56 C
ATOM 38 CD1 LEU A 5 5.732 -7.536 -11.679 1.00 20.74 C
ATOM 39 CD2 LEU A 5 3.639 -6.843 -12.942 1.00 21.87 C
ATOM 40 N TRP A 6 6.039 -7.517 -17.821 1.00 31.52 N
ATOM 41 CA TRP A 6 6.625 -6.952 -19.016 1.00 30.82 C
ATOM 42 C TRP A 6 5.803 -5.776 -19.538 1.00 31.90 C
ATOM 43 O TRP A 6 6.367 -4.817 -20.053 1.00 33.26 O
ATOM 44 CB TRP A 6 6.784 -8.028 -20.085 1.00 28.66 C
ATOM 45 CG TRP A 6 7.588 -9.261 -19.681 1.00 26.42 C
ATOM 46 CD1 TRP A 6 7.106 -10.526 -19.428 1.00 28.49 C
ATOM 47 CD2 TRP A 6 9.027 -9.373 -19.640 1.00 28.47 C
ATOM 48 NE1 TRP A 6 8.166 -11.395 -19.221 1.00 29.88 N
ATOM 49 CE2 TRP A 6 9.341 -10.730 -19.334 1.00 28.86 C
ATOM 50 CE3 TRP A 6 10.099 -8.470 -19.831 1.00 25.06 C
ATOM 51 CZ2 TRP A 6 10.658 -11.175 -19.187 1.00 32.14 C
ATOM 52 CZ3 TRP A 6 11.378 -8.917 -19.706 1.00 27.41 C
ATOM 53 CH2 TRP A 6 11.664 -10.266 -19.370 1.00 30.03 C
ATOM 54 N GLN A 7 4.483 -5.831 -19.384 1.00 33.01 N
ATOM 55 CA GLN A 7 3.591 -4.686 -19.654 1.00 32.37 C
ATOM 56 C GLN A 7 2.988 -4.174 -18.337 1.00 29.95 C
ATOM 57 O GLN A 7 3.050 -4.843 -17.329 1.00 26.55 O
ATOM 58 CB GLN A 7 2.451 -5.113 -20.586 1.00 38.12 C
ATOM 59 CG GLN A 7 2.902 -5.643 -21.959 1.00 48.91 C
ATOM 60 CD GLN A 7 2.871 -7.192 -22.060 1.00 59.75 C
ATOM 61 OE1 GLN A 7 1.823 -7.844 -21.830 1.00 61.83 O
ATOM 62 NE2 GLN A 7 4.008 -7.774 -22.472 1.00 59.99 N
ATOM 63 N ARG A 8 2.386 -2.991 -18.327 1.00 27.34 N
ATOM 64 CA ARG A 8 1.594 -2.573 -17.153 1.00 29.87 C
ATOM 65 C ARG A 8 0.517 -3.610 -16.794 1.00 31.94 C
ATOM 66 O ARG A 8 -0.231 -4.053 -17.669 1.00 33.83 O
ATOM 67 CB ARG A 8 0.909 -1.217 -17.386 1.00 28.16 C
ATOM 68 CG ARG A 8 1.853 -0.042 -17.647 1.00 27.47 C
ATOM 69 CD ARG A 8 1.092 1.300 -17.564 1.00 25.45 C
ATOM 70 NE ARG A 8 1.992 2.432 -17.375 1.00 23.06 N
ATOM 71 CZ ARG A 8 1.684 3.705 -17.623 1.00 28.80 C
ATOM 72 NH1 ARG A 8 0.462 4.052 -17.989 1.00 30.95 N
ATOM 73 NH2 ARG A 8 2.610 4.641 -17.517 1.00 26.02 N
ATOM 74 N PRO A 9 0.285 -3.854 -15.492 1.00 30.21 N
ATOM 75 CA PRO A 9 -0.660 -4.947 -15.202 1.00 29.48 C
ATOM 76 C PRO A 9 -2.114 -4.476 -15.210 1.00 29.45 C
ATOM 77 O PRO A 9 -2.721 -4.299 -14.147 1.00 28.45 O
ATOM 78 CB PRO A 9 -0.255 -5.451 -13.823 1.00 27.88 C
ATOM 79 CG PRO A 9 0.588 -4.338 -13.225 1.00 28.12 C
ATOM 80 CD PRO A 9 1.177 -3.566 -14.352 1.00 31.64 C
ATOM 81 N LEU A 10 -2.649 -4.241 -16.404 1.00 28.83 N
ATOM 82 CA LEU A 10 -3.995 -3.709 -16.591 1.00 31.57 C
ATOM 83 C LEU A 10 -4.990 -4.860 -16.714 1.00 30.48 C
ATOM 84 O LEU A 10 -4.767 -5.784 -17.486 1.00 31.00 O
ATOM 85 CB LEU A 10 -4.042 -2.814 -17.854 1.00 31.09 C
ATOM 86 CG LEU A 10 -3.458 -1.403 -17.670 1.00 35.91 C
ATOM 87 CD1 LEU A 10 -2.828 -0.857 -18.954 1.00 40.15 C
ATOM 88 CD2 LEU A 10 -4.561 -0.473 -17.257 1.00 40.51 C
ATOM 89 N VAL A 11 -6.064 -4.813 -15.933 1.00 30.80 N
ATOM 90 CA VAL A 11 -7.170 -5.768 -16.050 1.00 30.14 C
ATOM 91 C VAL A 11 -8.498 -5.017 -16.153 1.00 33.13 C
ATOM 92 O VAL A 11 -8.538 -3.770 -15.981 1.00 34.48 O
ATOM 93 CB VAL A 11 -7.248 -6.668 -14.822 1.00 27.12 C
ATOM 94 CG1 VAL A 11 -5.942 -7.464 -14.683 1.00 28.48 C
ATOM 95 CG2 VAL A 11 -7.487 -5.841 -13.593 1.00 26.29 C
ATOM 96 N THR A 12 -9.591 -5.755 -16.406 1.00 32.34 N
ATOM 97 CA THR A 12 -10.934 -5.147 -16.470 1.00 32.56 C
ATOM 98 C THR A 12 -11.629 -5.200 -15.120 1.00 33.07 C
ATOM 99 O THR A 12 -11.669 -6.242 -14.458 1.00 33.62 O
ATOM 100 CB THR A 12 -11.845 -5.825 -17.533 1.00 33.81 C
ATOM 101 OG1 THR A 12 -11.126 -5.994 -18.767 1.00 40.47 O
ATOM 102 CG2 THR A 12 -13.041 -4.954 -17.811 1.00 34.22 C
ATOM 103 N ILE A 13 -12.127 -4.058 -14.680 1.00 31.84 N
ATOM 104 CA ILE A 13 -12.959 -4.050 -13.488 1.00 32.26 C
ATOM 105 C ILE A 13 -14.371 -3.605 -13.839 1.00 33.69 C
ATOM 106 O ILE A 13 -14.631 -3.111 -14.931 1.00 30.43 O
ATOM 107 CB ILE A 13 -12.366 -3.106 -12.361 1.00 32.80 C
ATOM 108 CG1 ILE A 13 -12.425 -1.626 -12.809 1.00 31.81 C
ATOM 109 CG2 ILE A 13 -10.940 -3.546 -12.043 1.00 27.69 C
ATOM 110 CD1 ILE A 13 -12.651 -0.625 -11.668 1.00 32.46 C
ATOM 111 N LYS A 14 -15.293 -3.826 -12.910 1.00 36.78 N
ATOM 112 CA LYS A 14 -16.686 -3.409 -13.064 1.00 38.20 C
ATOM 113 C LYS A 14 -17.084 -2.770 -11.754 1.00 37.51 C
ATOM 114 O LYS A 14 -16.922 -3.371 -10.685 1.00 33.78 O
ATOM 115 CB LYS A 14 -17.584 -4.615 -13.331 1.00 43.07 C
ATOM 116 CG LYS A 14 -19.031 -4.255 -13.649 1.00 50.67 C
ATOM 117 CD LYS A 14 -19.966 -5.450 -13.501 1.00 56.97 C
ATOM 118 CE LYS A 14 -19.959 -6.376 -14.739 1.00 62.89 C
ATOM 119 NZ LYS A 14 -20.486 -7.780 -14.449 1.00 69.50 N
ATOM 120 N ILE A 15 -17.547 -1.532 -11.841 1.00 40.26 N
ATOM 121 CA ILE A 15 -18.041 -0.788 -10.689 1.00 46.34 C
ATOM 122 C ILE A 15 -19.214 0.021 -11.236 1.00 49.77 C
ATOM 123 O ILE A 15 -19.193 0.449 -12.388 1.00 52.38 O
ATOM 124 CB ILE A 15 -16.924 0.174 -10.120 1.00 45.04 C
ATOM 125 CG1 ILE A 15 -17.478 1.044 -9.004 1.00 46.91 C
ATOM 126 CG2 ILE A 15 -16.364 1.072 -11.211 1.00 47.78 C
ATOM 127 CD1 ILE A 15 -16.403 1.793 -8.225 1.00 50.24 C
ATOM 128 N GLY A 16 -20.274 0.181 -10.461 1.00 53.37 N
ATOM 129 CA GLY A 16 -21.430 0.904 -10.981 1.00 56.32 C
ATOM 130 C GLY A 16 -21.899 0.425 -12.355 1.00 56.91 C
ATOM 131 O GLY A 16 -22.376 1.207 -13.175 1.00 55.53 O
ATOM 132 N GLY A 17 -21.849 -0.882 -12.571 1.00 57.90 N
ATOM 133 CA GLY A 17 -22.321 -1.419 -13.831 1.00 59.71 C
ATOM 134 C GLY A 17 -21.535 -0.923 -15.036 1.00 60.57 C
ATOM 135 O GLY A 17 -21.832 -1.284 -16.173 1.00 63.20 O
ATOM 136 N GLN A 18 -20.476 -0.167 -14.790 1.00 59.37 N
ATOM 137 CA GLN A 18 -19.526 0.187 -15.845 1.00 58.98 C
ATOM 138 C GLN A 18 -18.349 -0.798 -15.918 1.00 56.87 C
ATOM 139 O GLN A 18 -17.772 -1.163 -14.892 1.00 56.84 O
ATOM 140 CB GLN A 18 -18.967 1.585 -15.597 1.00 63.37 C
ATOM 141 CG GLN A 18 -19.931 2.540 -14.913 1.00 67.60 C
ATOM 142 CD GLN A 18 -20.218 3.734 -15.781 1.00 72.39 C
ATOM 143 OE1 GLN A 18 -20.914 3.611 -16.791 1.00 76.16 O
ATOM 144 NE2 GLN A 18 -19.605 4.879 -15.457 1.00 74.55 N
ATOM 145 N LEU A 19 -17.974 -1.218 -17.119 1.00 53.88 N
ATOM 146 CA LEU A 19 -16.670 -1.855 -17.294 1.00 49.32 C
ATOM 147 C LEU A 19 -15.595 -0.774 -17.478 1.00 46.38 C
ATOM 148 O LEU A 19 -15.755 0.129 -18.269 1.00 43.18 O
ATOM 149 CB LEU A 19 -16.674 -2.796 -18.511 1.00 47.14 C
ATOM 150 CG LEU A 19 -17.608 -4.017 -18.530 1.00 46.02 C
ATOM 151 CD1 LEU A 19 -17.155 -4.924 -19.626 1.00 46.45 C
ATOM 152 CD2 LEU A 19 -17.572 -4.774 -17.232 1.00 46.45 C
ATOM 153 N LYS A 20 -14.516 -0.877 -16.716 1.00 44.76 N
ATOM 154 CA LYS A 20 -13.366 0.033 -16.800 1.00 44.52 C
ATOM 155 C LYS A 20 -12.075 -0.783 -16.865 1.00 42.87 C
ATOM 156 O LYS A 20 -12.057 -1.948 -16.485 1.00 41.39 O
ATOM 157 CB LYS A 20 -13.290 0.923 -15.569 1.00 43.50 C
ATOM 158 CG LYS A 20 -13.992 2.249 -15.722 1.00 46.90 C
ATOM 159 CD LYS A 20 -15.128 2.360 -14.751 1.00 49.38 C
ATOM 160 CE LYS A 20 -15.766 3.718 -14.874 1.00 54.07 C
ATOM 161 NZ LYS A 20 -14.746 4.824 -14.821 1.00 60.37 N
ATOM 162 N GLU A 21 -10.991 -0.191 -17.353 1.00 41.75 N
ATOM 163 CA GLU A 21 -9.695 -0.829 -17.185 1.00 40.02 C
ATOM 164 C GLU A 21 -8.918 -0.136 -16.105 1.00 35.18 C
ATOM 165 O GLU A 21 -9.101 1.069 -15.843 1.00 30.96 O
ATOM 166 CB GLU A 21 -8.903 -0.918 -18.494 1.00 45.21 C
ATOM 167 CG GLU A 21 -8.606 0.360 -19.231 1.00 55.20 C
ATOM 168 CD GLU A 21 -7.342 0.222 -20.088 1.00 63.88 C
ATOM 169 OE1 GLU A 21 -7.161 -0.875 -20.683 1.00 67.73 O
ATOM 170 OE2 GLU A 21 -6.505 1.166 -20.110 1.00 60.14 O
ATOM 171 N ALA A 22 -8.134 -0.930 -15.392 1.00 30.04 N
ATOM 172 CA ALA A 22 -7.515 -0.428 -14.186 1.00 26.79 C
ATOM 173 C ALA A 22 -6.223 -1.177 -13.922 1.00 26.36 C
ATOM 174 O ALA A 22 -5.991 -2.282 -14.458 1.00 24.88 O
ATOM 175 CB ALA A 22 -8.479 -0.558 -12.998 1.00 22.80 C
ATOM 176 N LEU A 23 -5.381 -0.564 -13.094 1.00 25.58 N
ATOM 177 CA LEU A 23 -4.020 -1.020 -12.841 1.00 25.08 C
ATOM 178 C LEU A 23 -3.941 -1.718 -11.473 1.00 23.67 C
ATOM 179 O LEU A 23 -4.401 -1.178 -10.473 1.00 25.94 O
ATOM 180 CB LEU A 23 -3.115 0.206 -12.862 1.00 27.31 C
ATOM 181 CG LEU A 23 -1.629 -0.015 -12.771 1.00 27.99 C
ATOM 182 CD1 LEU A 23 -1.129 -0.547 -14.097 1.00 29.29 C
ATOM 183 CD2 LEU A 23 -1.000 1.313 -12.416 1.00 31.05 C
ATOM 184 N LEU A 24 -3.375 -2.923 -11.452 1.00 21.67 N
ATOM 185 CA LEU A 24 -3.104 -3.666 -10.238 1.00 18.03 C
ATOM 186 C LEU A 24 -1.778 -3.184 -9.652 1.00 19.77 C
ATOM 187 O LEU A 24 -0.692 -3.486 -10.128 1.00 20.40 O
ATOM 188 CB LEU A 24 -3.047 -5.170 -10.543 1.00 15.36 C
ATOM 189 CG LEU A 24 -4.266 -5.740 -11.310 1.00 18.86 C
ATOM 190 CD1 LEU A 24 -4.137 -7.246 -11.484 1.00 16.70 C
ATOM 191 CD2 LEU A 24 -5.604 -5.426 -10.582 1.00 18.96 C
ATOM 192 N ASP A 25 -1.883 -2.413 -8.592 1.00 18.83 N
ATOM 193 CA ASP A 25 -0.777 -1.596 -8.154 1.00 18.91 C
ATOM 194 C ASP A 25 -0.416 -1.957 -6.716 1.00 16.83 C
ATOM 195 O ASP A 25 -0.981 -1.434 -5.771 1.00 17.64 O
ATOM 196 CB ASP A 25 -1.211 -0.127 -8.283 1.00 16.55 C
ATOM 197 CG ASP A 25 -0.106 0.854 -8.021 1.00 21.74 C
ATOM 198 OD1 ASP A 25 0.979 0.470 -7.549 1.00 22.87 O
ATOM 199 OD2 ASP A 25 -0.351 2.041 -8.239 1.00 24.00 O
ATOM 200 N THR A 26 0.596 -2.784 -6.542 1.00 15.44 N
ATOM 201 CA THR A 26 1.006 -3.157 -5.206 1.00 15.16 C
ATOM 202 C THR A 26 1.662 -2.019 -4.450 1.00 15.12 C
ATOM 203 O THR A 26 1.899 -2.133 -3.231 1.00 12.07 O
ATOM 204 CB THR A 26 1.973 -4.286 -5.261 1.00 17.69 C
ATOM 205 OG1 THR A 26 3.132 -3.852 -5.957 1.00 16.60 O
ATOM 206 CG2 THR A 26 1.372 -5.474 -6.008 1.00 13.90 C
ATOM 207 N GLY A 27 1.955 -0.915 -5.149 1.00 17.61 N
ATOM 208 CA GLY A 27 2.587 0.203 -4.475 1.00 14.06 C
ATOM 209 C GLY A 27 1.563 1.163 -3.916 1.00 13.84 C
ATOM 210 O GLY A 27 1.912 2.065 -3.156 1.00 14.08 O
ATOM 211 N ALA A 28 0.315 1.043 -4.350 1.00 12.94 N
ATOM 212 CA ALA A 28 -0.778 1.879 -3.837 1.00 13.20 C
ATOM 213 C ALA A 28 -1.450 1.296 -2.577 1.00 17.23 C
ATOM 214 O ALA A 28 -1.906 0.132 -2.580 1.00 15.43 O
ATOM 215 CB ALA A 28 -1.824 2.037 -4.923 1.00 12.92 C
ATOM 216 N ASP A 29 -1.556 2.114 -1.529 1.00 17.65 N
ATOM 217 CA ASP A 29 -2.293 1.738 -0.318 1.00 19.68 C
ATOM 218 C ASP A 29 -3.786 1.694 -0.550 1.00 21.65 C
ATOM 219 O ASP A 29 -4.466 0.833 -0.001 1.00 26.39 O
ATOM 220 CB ASP A 29 -2.034 2.720 0.822 1.00 18.61 C
ATOM 221 CG ASP A 29 -0.592 2.733 1.269 1.00 23.38 C
ATOM 222 OD1 ASP A 29 0.143 1.751 1.012 1.00 23.84 O
ATOM 223 OD2 ASP A 29 -0.197 3.737 1.910 1.00 24.58 O
ATOM 224 N ASP A 30 -4.288 2.620 -1.368 1.00 23.67 N
ATOM 225 CA ASP A 30 -5.718 2.793 -1.632 1.00 22.55 C
ATOM 226 C ASP A 30 -6.078 2.548 -3.068 1.00 20.55 C
ATOM 227 O ASP A 30 -5.230 2.392 -3.927 1.00 22.98 O
ATOM 228 CB ASP A 30 -6.149 4.197 -1.256 1.00 24.31 C
ATOM 229 CG ASP A 30 -5.853 4.501 0.162 1.00 25.77 C
ATOM 230 OD1 ASP A 30 -6.398 3.797 1.031 1.00 37.03 O
ATOM 231 OD2 ASP A 30 -5.018 5.374 0.436 1.00 33.64 O
ATOM 232 N THR A 31 -7.365 2.471 -3.324 1.00 21.65 N
ATOM 233 CA THR A 31 -7.878 2.406 -4.677 1.00 19.28 C
ATOM 234 C THR A 31 -8.380 3.800 -5.087 1.00 20.65 C
ATOM 235 O THR A 31 -9.094 4.456 -4.323 1.00 21.27 O
ATOM 236 CB THR A 31 -8.995 1.332 -4.766 1.00 21.21 C
ATOM 237 OG1 THR A 31 -8.412 0.062 -4.461 1.00 17.85 O
ATOM 238 CG2 THR A 31 -9.623 1.284 -6.196 1.00 20.08 C
ATOM 239 N VAL A 32 -7.950 4.263 -6.260 1.00 19.73 N
ATOM 240 CA VAL A 32 -8.211 5.616 -6.676 1.00 20.18 C
ATOM 241 C VAL A 32 -8.721 5.491 -8.054 1.00 18.49 C
ATOM 242 O VAL A 32 -8.033 4.999 -8.924 1.00 21.86 O
ATOM 243 CB VAL A 32 -6.942 6.473 -6.767 1.00 20.27 C
ATOM 244 CG1 VAL A 32 -7.326 7.943 -6.810 1.00 21.42 C
ATOM 245 CG2 VAL A 32 -6.044 6.229 -5.609 1.00 20.29 C
ATOM 246 N LEU A 33 -9.956 5.885 -8.273 1.00 21.84 N
ATOM 247 CA LEU A 33 -10.522 5.795 -9.624 1.00 24.48 C
ATOM 248 C LEU A 33 -10.729 7.193 -10.160 1.00 25.37 C
ATOM 249 O LEU A 33 -10.875 8.155 -9.381 1.00 25.11 O
ATOM 250 CB LEU A 33 -11.869 5.075 -9.611 1.00 24.32 C
ATOM 251 CG LEU A 33 -11.900 3.619 -9.159 1.00 28.97 C
ATOM 252 CD1 LEU A 33 -13.339 3.099 -9.180 1.00 31.03 C
ATOM 253 CD2 LEU A 33 -10.992 2.796 -10.088 1.00 30.18 C
ATOM 254 N GLU A 34 -10.716 7.296 -11.487 1.00 29.09 N
ATOM 255 CA GLU A 34 -11.019 8.531 -12.217 1.00 32.79 C
ATOM 256 C GLU A 34 -12.403 9.076 -11.916 1.00 33.96 C
ATOM 257 O GLU A 34 -13.344 8.332 -11.732 1.00 34.70 O
ATOM 258 CB GLU A 34 -10.879 8.301 -13.710 1.00 36.48 C
ATOM 259 CG GLU A 34 -9.427 8.035 -14.115 1.00 43.49 C
ATOM 260 CD GLU A 34 -9.284 7.570 -15.546 1.00 49.89 C
ATOM 261 OE1 GLU A 34 -10.199 7.875 -16.357 1.00 52.23 O
ATOM 262 OE2 GLU A 34 -8.281 6.888 -15.855 1.00 53.58 O
ATOM 263 N GLU A 35 -12.492 10.396 -11.821 1.00 32.88 N
ATOM 264 CA GLU A 35 -13.727 11.154 -11.631 1.00 33.85 C
ATOM 265 C GLU A 35 -14.974 10.466 -12.195 1.00 34.72 C
ATOM 266 O GLU A 35 -15.110 10.383 -13.410 1.00 34.03 O
ATOM 267 CB GLU A 35 -13.553 12.490 -12.320 1.00 35.16 C
ATOM 268 CG GLU A 35 -14.389 13.576 -11.770 1.00 39.66 C
ATOM 269 CD GLU A 35 -13.872 14.082 -10.468 1.00 45.60 C
ATOM 270 OE1 GLU A 35 -12.790 14.738 -10.435 1.00 50.36 O
ATOM 271 OE2 GLU A 35 -14.613 13.917 -9.483 1.00 47.94 O
ATOM 272 N MET A 36 -15.875 9.996 -11.312 1.00 33.77 N
ATOM 273 CA MET A 36 -17.161 9.359 -11.690 1.00 32.08 C
ATOM 274 C MET A 36 -18.142 9.526 -10.525 1.00 33.50 C
ATOM 275 O MET A 36 -17.722 9.848 -9.427 1.00 33.82 O
ATOM 276 CB MET A 36 -16.970 7.864 -11.948 1.00 31.77 C
ATOM 277 CG MET A 36 -16.648 7.030 -10.699 1.00 33.78 C
ATOM 278 SD MET A 36 -16.138 5.350 -11.128 1.00 38.76 S
ATOM 279 CE MET A 36 -17.694 4.569 -11.486 1.00 34.69 C
ATOM 280 N SER A 37 -19.447 9.278 -10.734 1.00 34.23 N
ATOM 281 CA SER A 37 -20.473 9.558 -9.660 1.00 33.81 C
ATOM 282 C SER A 37 -20.756 8.268 -8.941 1.00 32.96 C
ATOM 283 O SER A 37 -20.978 7.266 -9.617 1.00 32.62 O
ATOM 284 CB SER A 37 -21.781 10.026 -10.284 1.00 34.02 C
ATOM 285 OG SER A 37 -22.401 11.005 -9.373 1.00 38.20 O
ATOM 286 N LEU A 38 -20.732 8.217 -7.625 1.00 35.12 N
ATOM 287 CA LEU A 38 -21.053 6.954 -6.994 1.00 38.10 C
ATOM 288 C LEU A 38 -22.192 7.180 -6.031 1.00 42.61 C
ATOM 289 O LEU A 38 -22.513 8.320 -5.687 1.00 41.25 O
ATOM 290 CB LEU A 38 -19.827 6.361 -6.257 1.00 35.60 C
ATOM 291 CG LEU A 38 -18.742 5.629 -7.066 1.00 33.68 C
ATOM 292 CD1 LEU A 38 -17.637 5.165 -6.145 1.00 33.91 C
ATOM 293 CD2 LEU A 38 -19.321 4.446 -7.783 1.00 34.05 C
ATOM 294 N PRO A 39 -22.941 6.117 -5.707 1.00 45.17 N
ATOM 295 CA PRO A 39 -23.889 6.119 -4.590 1.00 45.32 C
ATOM 296 C PRO A 39 -23.244 6.454 -3.263 1.00 44.13 C
ATOM 297 O PRO A 39 -22.247 5.860 -2.873 1.00 44.57 O
ATOM 298 CB PRO A 39 -24.433 4.702 -4.565 1.00 48.51 C
ATOM 299 CG PRO A 39 -23.450 3.880 -5.430 1.00 47.48 C
ATOM 300 CD PRO A 39 -23.013 4.846 -6.463 1.00 48.21 C
ATOM 301 N GLY A 40 -23.857 7.367 -2.544 1.00 43.26 N
ATOM 302 CA GLY A 40 -23.515 7.514 -1.146 1.00 44.04 C
ATOM 303 C GLY A 40 -23.023 8.910 -0.920 1.00 46.02 C
ATOM 304 O GLY A 40 -23.127 9.783 -1.787 1.00 48.40 O
ATOM 305 N ARG A 41 -22.703 9.193 0.322 1.00 47.22 N
ATOM 306 CA ARG A 41 -22.011 10.421 0.587 1.00 48.14 C
ATOM 307 C ARG A 41 -20.511 10.130 0.640 1.00 45.12 C
ATOM 308 O ARG A 41 -20.113 8.974 0.764 1.00 43.73 O
ATOM 309 CB ARG A 41 -22.542 11.040 1.870 1.00 53.98 C
ATOM 310 CG ARG A 41 -23.261 12.392 1.634 1.00 61.76 C
ATOM 311 CD ARG A 41 -24.785 12.297 1.803 1.00 64.66 C
ATOM 312 NE ARG A 41 -25.462 11.710 0.642 1.00 67.95 N
ATOM 313 CZ ARG A 41 -26.373 10.734 0.713 1.00 69.74 C
ATOM 314 NH1 ARG A 41 -26.749 10.244 1.893 1.00 69.56 N
ATOM 315 NH2 ARG A 41 -26.918 10.255 -0.401 1.00 68.51 N
ATOM 316 N TRP A 42 -19.689 11.166 0.500 1.00 42.00 N
ATOM 317 CA TRP A 42 -18.242 11.026 0.526 1.00 40.42 C
ATOM 318 C TRP A 42 -17.605 11.937 1.595 1.00 40.51 C
ATOM 319 O TRP A 42 -18.099 13.019 1.876 1.00 41.61 O
ATOM 320 CB TRP A 42 -17.655 11.376 -0.837 1.00 42.08 C
ATOM 321 CG TRP A 42 -18.209 12.574 -1.454 1.00 42.80 C
ATOM 322 CD1 TRP A 42 -19.309 12.654 -2.258 1.00 46.14 C
ATOM 323 CD2 TRP A 42 -17.776 13.930 -1.243 1.00 44.40 C
ATOM 324 NE1 TRP A 42 -19.592 13.978 -2.536 1.00 48.15 N
ATOM 325 CE2 TRP A 42 -18.683 14.778 -1.921 1.00 45.80 C
ATOM 326 CE3 TRP A 42 -16.708 14.511 -0.520 1.00 44.14 C
ATOM 327 CZ2 TRP A 42 -18.571 16.172 -1.898 1.00 47.06 C
ATOM 328 CZ3 TRP A 42 -16.599 15.878 -0.518 1.00 45.02 C
ATOM 329 CH2 TRP A 42 -17.531 16.705 -1.202 1.00 47.76 C
ATOM 330 N LYS A 43 -16.508 11.496 2.203 1.00 39.07 N
ATOM 331 CA LYS A 43 -15.612 12.363 2.980 1.00 38.61 C
ATOM 332 C LYS A 43 -14.494 12.837 2.049 1.00 38.09 C
ATOM 333 O LYS A 43 -14.065 12.102 1.155 1.00 37.97 O
ATOM 334 CB LYS A 43 -15.011 11.576 4.163 1.00 40.22 C
ATOM 335 CG LYS A 43 -16.026 11.084 5.174 1.00 40.71 C
ATOM 336 CD LYS A 43 -15.536 9.816 5.860 1.00 46.25 C
ATOM 337 CE LYS A 43 -16.512 9.348 6.966 1.00 53.77 C
ATOM 338 NZ LYS A 43 -17.746 8.560 6.529 1.00 55.67 N
ATOM 339 N PRO A 44 -14.060 14.092 2.166 1.00 36.78 N
ATOM 340 CA PRO A 44 -12.895 14.445 1.345 1.00 36.73 C
ATOM 341 C PRO A 44 -11.597 14.004 2.010 1.00 35.93 C
ATOM 342 O PRO A 44 -11.529 13.904 3.233 1.00 35.84 O
ATOM 343 CB PRO A 44 -12.983 15.964 1.204 1.00 37.26 C
ATOM 344 CG PRO A 44 -13.696 16.396 2.426 1.00 38.05 C
ATOM 345 CD PRO A 44 -14.685 15.290 2.752 1.00 40.15 C
ATOM 346 N LYS A 45 -10.568 13.751 1.199 1.00 34.68 N
ATOM 347 CA LYS A 45 -9.288 13.188 1.660 1.00 31.98 C
ATOM 348 C LYS A 45 -8.172 13.803 0.791 1.00 29.00 C
ATOM 349 O LYS A 45 -8.397 14.167 -0.361 1.00 27.87 O
ATOM 350 CB LYS A 45 -9.315 11.664 1.478 1.00 31.87 C
ATOM 351 CG LYS A 45 -8.394 10.882 2.385 1.00 32.85 C
ATOM 352 CD LYS A 45 -8.472 9.364 2.102 1.00 39.51 C
ATOM 353 CE LYS A 45 -7.333 8.550 2.759 1.00 38.60 C
ATOM 354 NZ LYS A 45 -7.750 8.092 4.107 1.00 45.48 N
ATOM 355 N MET A 46 -6.980 13.937 1.351 1.00 28.78 N
ATOM 356 CA MET A 46 -5.793 14.236 0.563 1.00 28.75 C
ATOM 357 C MET A 46 -4.920 13.007 0.541 1.00 26.81 C
ATOM 358 O MET A 46 -4.508 12.510 1.591 1.00 28.48 O
ATOM 359 CB MET A 46 -5.002 15.388 1.182 1.00 30.70 C
ATOM 360 CG MET A 46 -5.786 16.686 1.302 1.00 34.30 C
ATOM 361 SD MET A 46 -5.827 17.659 -0.214 1.00 42.21 S
ATOM 362 CE MET A 46 -4.060 18.294 -0.261 1.00 43.40 C
ATOM 363 N ILE A 47 -4.627 12.503 -0.647 1.00 25.63 N
ATOM 364 CA ILE A 47 -3.661 11.418 -0.774 1.00 25.64 C
ATOM 365 C ILE A 47 -2.492 11.879 -1.587 1.00 23.79 C
ATOM 366 O ILE A 47 -2.681 12.651 -2.493 1.00 25.39 O
ATOM 367 CB ILE A 47 -4.248 10.217 -1.489 1.00 25.82 C
ATOM 368 CG1 ILE A 47 -4.886 10.671 -2.789 1.00 27.41 C
ATOM 369 CG2 ILE A 47 -5.177 9.477 -0.580 1.00 29.47 C
ATOM 370 CD1 ILE A 47 -5.219 9.505 -3.704 1.00 33.28 C
ATOM 371 N GLY A 48 -1.303 11.359 -1.289 1.00 23.56 N
ATOM 372 CA GLY A 48 -0.078 11.811 -1.937 1.00 28.25 C
ATOM 373 C GLY A 48 0.569 10.786 -2.846 1.00 30.81 C
ATOM 374 O GLY A 48 0.631 9.593 -2.517 1.00 30.06 O
ATOM 375 N GLY A 49 0.833 11.199 -4.078 1.00 31.96 N
ATOM 376 CA GLY A 49 1.543 10.342 -5.006 1.00 33.92 C
ATOM 377 C GLY A 49 2.992 10.769 -5.103 1.00 37.71 C
ATOM 378 O GLY A 49 3.578 11.278 -4.132 1.00 36.71 O
ATOM 379 N ILE A 50 3.514 10.621 -6.317 1.00 39.37 N
ATOM 380 CA ILE A 50 4.902 10.876 -6.689 1.00 40.56 C
ATOM 381 C ILE A 50 5.119 12.397 -6.896 1.00 39.02 C
ATOM 382 O ILE A 50 6.104 12.964 -6.422 1.00 40.72 O
ATOM 383 CB ILE A 50 5.216 10.012 -7.969 1.00 40.75 C
ATOM 384 CG1 ILE A 50 6.149 8.860 -7.604 1.00 39.18 C
ATOM 385 CG2 ILE A 50 5.737 10.857 -9.100 1.00 42.58 C
ATOM 386 CD1 ILE A 50 7.398 9.279 -7.019 1.00 39.03 C
ATOM 387 N GLY A 51 4.179 13.065 -7.550 1.00 35.64 N
ATOM 388 CA GLY A 51 4.350 14.485 -7.741 1.00 37.36 C
ATOM 389 C GLY A 51 3.623 15.318 -6.715 1.00 38.38 C
ATOM 390 O GLY A 51 3.209 16.404 -7.057 1.00 42.43 O
ATOM 391 N GLY A 52 3.393 14.809 -5.507 1.00 35.83 N
ATOM 392 CA GLY A 52 2.628 15.562 -4.519 1.00 34.71 C
ATOM 393 C GLY A 52 1.176 15.124 -4.335 1.00 32.77 C
ATOM 394 O GLY A 52 0.773 14.066 -4.810 1.00 33.65 O ATOM 395 N PHE A 53 0.380 15.942 -3.660 1.00 31.50 N
ATOM 396 CA PHE A 53 -0.943 15.526 -3.180 1.00 30.76 C
ATOM 397 C PHE A 53 -2.111 15.908 -4.086 1.00 31.86 C
ATOM 398 O PHE A 53 -2.069 16.936 -4.750 1.00 36.37 O
ATOM 399 CB PHE A 53 -1.162 16.137 -1.810 1.00 28.77 C
ATOM 400 CG PHE A 53 -0.580 15.340 -0.713 1.00 30.51 C
ATOM 401 CD1 PHE A 53 0.804 15.292 -0.528 1.00 27.94 C
ATOM 402 CD2 PHE A 53 -1.398 14.548 0.077 1.00 30.74 C
ATOM 403 CE1 PHE A 53 1.375 14.456 0.428 1.00 29.27 C
ATOM 404 CE2 PHE A 53 -0.863 13.712 1.035 1.00 32.36 C
ATOM 405 CZ PHE A 53 0.533 13.658 1.228 1.00 28.01 C
ATOM 406 N ILE A 54 -3.153 15.089 -4.134 1.00 28.86 N
ATOM 407 CA ILE A 54 -4.406 15.492 -4.792 1.00 28.83 C
ATOM 408 C ILE A 54 -5.577 15.359 -3.817 1.00 29.53 C
ATOM 409 O ILE A 54 -5.512 14.634 -2.832 1.00 28.42 O
ATOM 410 CB ILE A 54 -4.714 14.623 -6.054 1.00 28.74 C
ATOM 411 CG1 ILE A 54 -4.734 13.122 -5.674 1.00 27.76 C
ATOM 412 CG2 ILE A 54 -3.656 14.893 -7.141 1.00 28.78 C
ATOM 413 CD1 ILE A 54 -5.316 12.242 -6.703 1.00 23.65 C
ATOM 414 N LYS A 55 -6.653 16.080 -4.079 1.00 31.86 N
ATOM 415 CA LYS A 55 -7.839 15.961 -3.247 1.00 31.37 C
ATOM 416 C LYS A 55 -8.770 14.925 -3.879 1.00 31.40 C
ATOM 417 O LYS A 55 -9.073 14.986 -5.091 1.00 30.39 O
ATOM 418 CB LYS A 55 -8.539 17.313 -3.131 1.00 34.83 C
ATOM 419 CG LYS A 55 -9.464 17.389 -1.945 1.00 41.25 C
ATOM 420 CD LYS A 55 -10.093 18.748 -1.802 1.00 48.65 C
ATOM 421 CE LYS A 55 -11.425 18.636 -1.083 1.00 52.68 C
ATOM 422 NZ LYS A 55 -12.455 18.010 -1.968 1.00 56.46 N
ATOM 423 N VAL A 56 -9.215 13.962 -3.081 1.00 27.17 N
ATOM 424 CA VAL A 56 -10.120 12.940 -3.601 1.00 26.79 C
ATOM 425 C VAL A 56 -11.393 12.921 -2.802 1.00 25.98 C
ATOM 426 O VAL A 56 -11.471 13.478 -1.721 1.00 28.45 O
ATOM 427 CB VAL A 56 -9.489 11.535 -3.550 1.00 23.58 C
ATOM 428 CG1 VAL A 56 -8.459 11.406 -4.657 1.00 24.00 C
ATOM 429 CG2 VAL A 56 -8.883 11.271 -2.192 1.00 19.88 C
ATOM 430 N ARG A 57 -12.410 12.287 -3.346 1.00 27.52 N
ATOM 431 CA ARG A 57 -13.608 12.006 -2.575 1.00 29.29 C
ATOM 432 C ARG A 57 -13.614 10.529 -2.189 1.00 26.53 C
ATOM 433 O ARG A 57 -13.420 9.665 -3.034 1.00 26.51 O
ATOM 434 CB ARG A 57 -14.839 12.366 -3.397 1.00 33.25 C
ATOM 435 CG ARG A 57 -14.939 13.851 -3.701 1.00 39.60 C
ATOM 436 CD ARG A 57 -16.119 14.125 -4.609 1.00 44.47 C
ATOM 437 NE ARG A 57 -15.864 13.684 -5.983 1.00 50.18 N
ATOM 438 CZ ARG A 57 -16.615 12.794 -6.618 1.00 49.84 C
ATOM 439 NH1 ARG A 57 -17.582 12.166 -5.965 1.00 51.65 N
ATOM 440 NH2 ARG A 57 -16.388 12.519 -7.894 1.00 52.43 N
ATOM 441 N GLN A 58 -13.820 10.253 -0.909 1.00 25.48 N
ATOM 442 CA GLN A 58 -13.721 8.896 -0.379 1.00 27.73 C
ATOM 443 C GLN A 58 -15.123 8.315 -0.188 1.00 30.15 C
ATOM 444 O GLN A 58 -15.912 8.837 0.598 1.00 33.75 O
ATOM 445 CB GLN A 58 -12.996 8.921 0.950 1.00 26.15 C
ATOM 446 CG GLN A 58 -12.961 7.633 1.676 1.00 29.09 C
ATOM 447 CD GLN A 58 -12.557 7.820 3.116 1.00 37.13 C
ATOM 448 OE1 GLN A 58 -12.176 8.924 3.530 1.00 40.89 O
ATOM 449 NE2 GLN A 58 -12.647 6.758 3.899 1.00 39.09 N
ATOM 450 N TYR A 59 -15.433 7.242 -0.910 1.00 32.83 N
ATOM 451 CA TYR A 59 -16.676 6.478 -0.697 1.00 34.57 C
ATOM 452 C TYR A 59 -16.317 5.181 0.048 1.00 35.86 C
ATOM 453 O TYR A 59 -15.271 4.585 -0.200 1.00 38.78 O
ATOM 454 CB TYR A 59 -17.308 6.102 -2.038 1.00 33.06 C
ATOM 455 CG TYR A 59 -17.841 7.316 -2.817 1.00 36.56 C
ATOM 456 CD1 TYR A 59 -16.984 8.076 -3.658 1.00 37.53 C
ATOM 457 CD2 TYR A 59 -19.189 7.723 -2.701 1.00 33.33 C
ATOM 458 CE1 TYR A 59 -17.458 9.175 -4.354 1.00 34.69 C
ATOM 459 CE2 TYR A 59 -19.650 8.821 -3.367 1.00 33.09 C
ATOM 460 CZ TYR A 59 -18.795 9.539 -4.204 1.00 33.21 C
ATOM 461 OH TYR A 59 -19.326 10.489 -5.011 1.00 40.16 O
ATOM 462 N ASP A 60 -17.142 4.749 0.984 1.00 37.21 N
ATOM 463 CA ASP A 60 -16.903 3.467 1.648 1.00 36.50 C
ATOM 464 C ASP A 60 -17.854 2.410 1.114 1.00 35.62 C
ATOM 465 O ASP A 60 -18.808 2.712 0.420 1.00 33.30 O
ATOM 466 CB ASP A 60 -17.107 3.624 3.149 1.00 43.82 C
ATOM 467 CG ASP A 60 -16.132 4.595 3.771 1.00 49.03 C
ATOM 468 OD1 ASP A 60 -14.902 4.377 3.664 1.00 53.15 O
ATOM 469 OD2 ASP A 60 -16.598 5.542 4.438 1.00 54.18 O
ATOM 470 N GLN A 61 -17.574 1.161 1.445 1.00 35.15 N
ATOM 471 CA GLN A 61 -18.487 0.033 1.211 1.00 37.27 C
ATOM 472 C GLN A 61 -18.920 -0.062 -0.253 1.00 36.83 C
ATOM 473 O GLN A 61 -20.122 -0.190 -0.551 1.00 39.02 O
ATOM 474 CB GLN A 61 -19.733 0.160 2.108 1.00 41.54 C
ATOM 475 CG GLN A 61 -20.218 -1.167 2.761 1.00 53.40 C
ATOM 476 CD GLN A 61 -21.698 -1.132 3.295 1.00 61.08 C
ATOM 477 OE1 GLN A 61 -22.539 -2.039 2.968 1.00 65.46 O
ATOM 478 NE2 GLN A 61 -22.028 -0.083 4.097 1.00 58.46 N
ATOM 479 N ILE A 62 -17.938 -0.009 -1.156 1.00 33.10 N
ATOM 480 CA ILE A 62 -18.152 -0.110 -2.603 1.00 33.95 C
ATOM 481 C ILE A 62 -17.705 -1.468 -3.127 1.00 35.70 C
ATOM 482 O ILE A 62 -16.606 -1.912 -2.816 1.00 38.95 O
ATOM 483 CB ILE A 62 -17.331 0.999 -3.352 1.00 33.50 C
ATOM 484 CG1 ILE A 62 -17.680 2.382 -2.774 1.00 31.68 C
ATOM 485 CG2 ILE A 62 -17.578 0.940 -4.860 1.00 33.86 C
ATOM 486 CD1 ILE A 62 -19.095 2.795 -2.959 1.00 35.62 C
ATOM 487 N LEU A 63 -18.550 -2.122 -3.924 1.00 38.14 N
ATOM 488 CA LEU A 63 -18.202 -3.394 -4.590 1.00 41.38 C
ATOM 489 C LEU A 63 -17.575 -3.152 -5.973 1.00 42.34 C
ATOM 490 O LEU A 63 -18.121 -2.404 -6.781 1.00 43.91 O
ATOM 491 CB LEU A 63 -19.459 -4.286 -4.758 1.00 41.40 C
ATOM 492 CG LEU A 63 -19.177 -5.776 -5.050 1.00 42.58 C
ATOM 493 CD1 LEU A 63 -20.025 -6.669 -4.171 1.00 46.33 C
ATOM 494 CD2 LEU A 63 -19.461 -6.072 -6.513 1.00 45.30 C
ATOM 495 N ILE A 64 -16.435 -3.782 -6.231 1.00 44.21 N
ATOM 496 CA ILE A 64 -15.786 -3.758 -7.547 1.00 46.55 C
ATOM 497 C ILE A 64 -15.618 -5.204 -7.989 1.00 46.30 C
ATOM 498 O ILE A 64 -15.368 -6.059 -7.164 1.00 45.60 O
ATOM 499 CB ILE A 64 -14.339 -3.103 -7.467 1.00 48.42 C
ATOM 500 CG1 ILE A 64 -14.444 -1.645 -6.989 1.00 51.56 C
ATOM 501 CG2 ILE A 64 -13.647 -3.128 -8.852 1.00 45.78 C
ATOM 502 CD1 ILE A 64 -13.480 -0.719 -7.698 1.00 52.26 C
ATOM 503 N GLU A 65 -15.750 -5.487 -9.278 1.00 48.38 N
ATOM 504 CA GLU A 65 -15.522 -6.846 -9.774 1.00 52.65 C
ATOM 505 C GLU A 65 -14.208 -6.982 -10.558 1.00 53.34 C
ATOM 506 O GLU A 65 -14.135 -6.572 -11.707 1.00 57.14 O
ATOM 507 CB GLU A 65 -16.681 -7.274 -10.669 1.00 53.39 C
ATOM 508 CG GLU A 65 -17.845 -7.882 -9.898 1.00 58.82 C
ATOM 509 CD GLU A 65 -18.575 -8.937 -10.716 1.00 61.85 C
ATOM 510 OE1 GLU A 65 -17.992 -10.033 -10.932 1.00 62.51 O
ATOM 511 OE2 GLU A 65 -19.719 -8.658 -11.163 1.00 63.85 O
ATOM 512 N ILE A 66 -13.188 -7.591 -9.966 1.00 54.18 N
ATOM 513 CA ILE A 66 -11.870 -7.733 -10.600 1.00 53.69 C
ATOM 514 C ILE A 66 -11.629 -9.164 -11.140 1.00 55.63 C
ATOM 515 O ILE A 66 -11.452 -10.130 -10.388 1.00 55.17 O
ATOM 516 CB ILE A 66 -10.743 -7.328 -9.581 1.00 53.26 C
ATOM 517 CG1 ILE A 66 -11.094 -5.981 -8.930 1.00 50.35 C
ATOM 518 CG2 ILE A 66 -9.383 -7.273 -10.288 1.00 51.36 C
ATOM 519 CD1 ILE A 66 -10.839 -5.913 -7.434 1.00 49.54 C
ATOM 520 N CYS A 67 -11.645 -9.293 -12.459 1.00 57.47 N
ATOM 521 CA CYS A 67 -11.483 -10.576 -13.160 1.00 59.30 C
ATOM 522 C CYS A 67 -12.419 -11.676 -12.663 1.00 58.98 C
ATOM 523 O CYS A 67 -12.043 -12.852 -12.580 1.00 59.83 O
ATOM 524 CB CYS A 67 -10.034 -11.052 -13.089 1.00 60.45 C
ATOM 525 SG CYS A 67 -8.935 -10.107 -14.178 1.00 66.26 S
ATOM 526 N GLY A 68 -13.651 -11.291 -12.346 1.00 58.28 N
ATOM 527 CA GLY A 68 -14.621 -12.229 -11.813 1.00 56.53 C
ATOM 528 C GLY A 68 -14.797 -11.978 -10.336 1.00 54.84 C
ATOM 529 O GLY A 68 -15.894 -11.675 -9.883 1.00 55.20 O
ATOM 530 N HIS A 69 -13.681 -11.928 -9.622 1.00 52.63 N
ATOM 531 CA HIS A 69 -13.703 -11.863 -8.170 1.00 49.83 C
ATOM 532 C HIS A 69 -14.307 -10.564 -7.637 1.00 49.49 C
ATOM 533 O HIS A 69 -13.839 -9.471 -7.945 1.00 50.24 O
ATOM 534 CB HIS A 69 -12.299 -11.993 -7.620 1.00 48.37 C
ATOM 535 CG HIS A 69 -11.516 -13.170 -8.156 1.00 48.55 C
ATOM 536 ND1 HIS A 69 -11.155 -13.262 -9.486 1.00 46.92 N
ATOM 537 CD2 HIS A 69 -10.915 -14.174 -7.512 1.00 47.07 C
ATOM 538 CE1 HIS A 69 -10.337 -14.289 -9.630 1.00 45.30 C
ATOM 539 NE2 HIS A 69 -10.169 -14.876 -8.460 1.00 49.32 N
ATOM 540 N LYS A 70 -15.334 -10.693 -6.809 1.00 48.04 N
ATOM 541 CA LYS A 70 -15.816 -9.558 -6.027 1.00 44.00 C
ATOM 542 C LYS A 70 -14.878 -9.170 -4.867 1.00 40.53 C
ATOM 543 O LYS A 70 -14.170 -9.989 -4.286 1.00 37.44 O
ATOM 544 CB LYS A 70 -17.216 -9.839 -5.466 1.00 46.06 C
ATOM 545 CG LYS A 70 -18.330 -9.840 -6.497 1.00 48.65 C
ATOM 546 CD LYS A 70 -19.702 -9.985 -5.818 1.00 52.10 C
ATOM 547 CE LYS A 70 -20.762 -10.490 -6.797 1.00 52.81 C
ATOM 548 NZ LYS A 70 -22.096 -10.636 -6.125 1.00 57.49 N
ATOM 549 N ALA A 71 -14.951 -7.894 -4.517 1.00 37.00 N
ATOM 550 CA ALA A 71 -14.192 -7.302 -3.431 1.00 33.57 C
ATOM 551 C ALA A 71 -15.065 -6.104 -3.016 1.00 31.56 C
ATOM 552 O ALA A 71 -15.841 -5.575 -3.824 1.00 34.29 O
ATOM 553 CB ALA A 71 -12.825 -6.856 -3.956 1.00 28.40 C
ATOM 554 N ILE A 72 -15.023 -5.726 -1.749 1.00 28.94 N
ATOM 555 CA ILE A 72 -15.743 -4.554 -1.266 1.00 26.93 C
ATOM 556 C ILE A 72 -14.702 -3.774 -0.474 1.00 25.42 C
ATOM 557 O ILE A 72 -13.823 -4.375 0.188 1.00 23.83 O
ATOM 558 CB ILE A 72 -16.902 -4.960 -0.298 1.00 34.11 C
ATOM 559 CG1 ILE A 72 -17.945 -5.794 -1.039 1.00 39.50 C
ATOM 560 CG2 ILE A 72 -17.543 -3.719 0.327 1.00 34.28 C
ATOM 561 CD1 ILE A 72 -18.738 -6.717 -0.119 1.00 44.26 C
ATOM 562 N GLY A 73 -14.767 -2.451 -0.549 1.00 23.40 N
ATOM 563 CA GLY A 73 -13.892 -1.636 0.281 1.00 22.07 C
ATOM 564 C GLY A 73 -13.960 -0.156 -0.075 1.00 24.48 C
ATOM 565 O GLY A 73 -14.830 0.290 -0.815 1.00 24.29 O
ATOM 566 N THR A 74 -13.088 0.637 0.519 1.00 23.67 N
ATOM 567 CA THR A 74 -13.047 2.063 0.237 1.00 24.46 C
ATOM 568 C THR A 74 -12.484 2.358 -1.128 1.00 25.63 C
ATOM 569 O THR A 74 -11.529 1.745 -1.591 1.00 25.67 O
ATOM 570 CB THR A 74 -12.237 2.831 1.303 1.00 24.94 C
ATOM 571 OG1 THR A 74 -12.842 2.624 2.581 1.00 29.61 O
ATOM 572 CG2 THR A 74 -12.258 4.316 1.029 1.00 19.06 C
ATOM 573 N VAL A 75 -13.118 3.301 -1.782 1.00 25.14 N
ATOM 574 CA VAL A 75 -12.722 3.670 -3.107 1.00 26.87 C
ATOM 575 C VAL A 75 -12.647 5.188 -3.084 1.00 27.97 C
ATOM 576 O VAL A 75 -13.516 5.864 -2.512 1.00 27.87 O
ATOM 577 CB VAL A 75 -13.743 3.170 -4.135 1.00 25.74 C
ATOM 578 CG1 VAL A 75 -13.542 3.862 -5.439 1.00 27.82 C
ATOM 579 CG2 VAL A 75 -13.536 1.656 -4.318 1.00 21.53 C
ATOM 580 N LEU A 76 -11.562 5.718 -3.629 1.00 27.21 N
ATOM 581 CA LEU A 76 -11.349 7.164 -3.640 1.00 25.80 C
ATOM 582 C LEU A 76 -11.560 7.604 -5.086 1.00 24.05 C
ATOM 583 O LEU A 76 -11.159 6.898 -6.004 1.00 23.89 O
ATOM 584 CB LEU A 76 -9.909 7.461 -3.233 1.00 24.57 C
ATOM 585 CG LEU A 76 -9.306 6.978 -1.926 1.00 24.94 C
ATOM 586 CD1 LEU A 76 -7.894 7.468 -1.796 1.00 21.47 C
ATOM 587 CD2 LEU A 76 -10.126 7.501 -0.800 1.00 22.70 C
ATOM 588 N VAL A 77 -12.200 8.734 -5.309 1.00 22.25 N
ATOM 589 CA VAL A 77 -12.473 9.139 -6.676 1.00 25.77 C
ATOM 590 C VAL A 77 -11.885 10.548 -6.856 1.00 25.41 C
ATOM 591 O VAL A 77 -12.018 11.376 -5.946 1.00 21.46 O
ATOM 592 CB VAL A 77 -13.999 9.125 -6.943 1.00 26.64 C
ATOM 593 CG1 VAL A 77 -14.313 9.756 -8.267 1.00 24.10 C
ATOM 594 CG2 VAL A 77 -14.506 7.662 -6.855 1.00 24.74 C
ATOM 595 N GLY A 78 -11.176 10.791 -7.970 1.00 23.37 N
ATOM 596 CA GLY A 78 -10.378 12.006 -8.060 1.00 25.28 C
ATOM 597 C GLY A 78 -9.564 12.142 -9.327 1.00 24.69 C
ATOM 598 O GLY A 78 -9.678 11.284 -10.207 1.00 27.34 O
ATOM 599 N PRO A 79 -8.762 13.209 -9.485 1.00 24.96 N
ATOM 600 CA PRO A 79 -8.092 13.468 -10.763 1.00 26.27 C
ATOM 601 C PRO A 79 -6.826 12.645 -10.917 1.00 27.30 C
ATOM 602 O PRO A 79 -5.706 13.158 -10.732 1.00 30.31 O
ATOM 603 CB PRO A 79 -7.772 14.951 -10.693 1.00 26.15 C
ATOM 604 CG PRO A 79 -7.494 15.186 -9.248 1.00 27.52 C
ATOM 605 CD PRO A 79 -8.320 14.169 -8.458 1.00 27.77 C
ATOM 606 N THR A 80 -7.000 11.369 -11.225 1.00 27.82 N
ATOM 607 CA THR A 80 -5.886 10.464 -11.428 1.00 27.04 C
ATOM 608 C THR A 80 -5.859 10.169 -12.922 1.00 28.49 C
ATOM 609 O THR A 80 -6.901 10.242 -13.573 1.00 33.89 O
ATOM 610 CB THR A 80 -6.082 9.155 -10.608 1.00 24.34 C
ATOM 611 OG1 THR A 80 -5.080 8.217 -11.004 1.00 28.59 O
ATOM 612 CG2 THR A 80 -7.409 8.509 -10.863 1.00 17.97 C
ATOM 613 N PRO A 81 -4.672 10.003 -13.503 1.00 27.56 N
ATOM 614 CA PRO A 81 -4.578 9.722 -14.938 1.00 28.35 C
ATOM 615 C PRO A 81 -5.067 8.332 -15.331 1.00 32.18 C
ATOM 616 O PRO A 81 -5.608 8.137 -16.422 1.00 35.74 O
ATOM 617 CB PRO A 81 -3.096 9.891 -15.246 1.00 28.05 C
ATOM 618 CG PRO A 81 -2.426 9.836 -13.912 1.00 24.27 C
ATOM 619 CD PRO A 81 -3.357 10.324 -12.913 1.00 24.21 C
ATOM 620 N VAL A 82 -4.870 7.377 -14.431 1.00 31.78 N
ATOM 621 CA VAL A 82 -5.175 5.975 -14.673 1.00 30.36 C
ATOM 622 C VAL A 82 -5.960 5.429 -13.459 1.00 29.01 C
ATOM 623 O VAL A 82 -5.891 5.998 -12.351 1.00 28.83 O
ATOM 624 CB VAL A 82 -3.838 5.173 -14.886 1.00 27.70 C
ATOM 625 CG1 VAL A 82 -2.806 5.497 -13.848 1.00 25.82 C
ATOM 626 CG2 VAL A 82 -4.100 3.738 -14.921 1.00 29.05 C
ATOM 627 N ASN A 83 -6.764 4.387 -13.667 1.00 28.44 N
ATOM 628 CA ASN A 83 -7.529 3.762 -12.550 1.00 23.14 C
ATOM 629 C ASN A 83 -6.628 2.786 -11.832 1.00 20.40 C
ATOM 630 O ASN A 83 -5.892 2.050 -12.469 1.00 22.72 O
ATOM 631 CB ASN A 83 -8.772 3.030 -13.068 1.00 23.96 C
ATOM 632 CG ASN A 83 -9.872 4.000 -13.540 1.00 19.36 C
ATOM 633 OD1 ASN A 83 -10.183 4.992 -12.890 1.00 24.75 O
ATOM 634 ND2 ASN A 83 -10.396 3.746 -14.707 1.00 23.07 N
ATOM 635 N ILE A 84 -6.661 2.805 -10.507 1.00 19.46 N
ATOM 636 CA ILE A 84 -5.647 2.094 -9.717 1.00 18.70 C
ATOM 637 C ILE A 84 -6.308 1.236 -8.622 1.00 15.24 C
ATOM 638 O ILE A 84 -7.100 1.732 -7.786 1.00 16.01 O
ATOM 639 CB ILE A 84 -4.642 3.105 -9.043 1.00 18.01 C
ATOM 640 CG1 ILE A 84 -3.723 3.679 -10.090 1.00 21.46 C
ATOM 641 CG2 ILE A 84 -3.839 2.462 -7.967 1.00 18.09 C
ATOM 642 CD1 ILE A 84 -3.506 5.160 -9.819 1.00 21.77 C
ATOM 643 N ILE A 85 -5.986 -0.047 -8.635 1.00 17.41 N
ATOM 644 CA ILE A 85 -6.520 -0.947 -7.645 1.00 17.84 C
ATOM 645 C ILE A 85 -5.351 -1.142 -6.714 1.00 18.00 C
ATOM 646 O ILE A 85 -4.335 -1.714 -7.086 1.00 16.33 O
ATOM 647 CB ILE A 85 -6.904 -2.319 -8.257 1.00 19.87 C
ATOM 648 CG1 ILE A 85 -7.957 -2.142 -9.380 1.00 21.72 C
ATOM 649 CG2 ILE A 85 -7.405 -3.278 -7.139 1.00 19.84 C
ATOM 650 CD1 ILE A 85 -9.161 -1.301 -8.984 1.00 23.27 C
ATOM 651 N GLY A 86 -5.510 -0.676 -5.487 1.00 17.67 N
ATOM 652 CA GLY A 86 -4.468 -0.809 -4.493 1.00 19.47 C
ATOM 653 C GLY A 86 -4.650 -1.979 -3.553 1.00 20.59 C
ATOM 654 O GLY A 86 -5.538 -2.783 -3.684 1.00 19.31 O
ATOM 655 N ARG A 87 -3.840 -1.979 -2.510 1.00 19.04 N
ATOM 656 CA ARG A 87 -3.691 -3.120 -1.604 1.00 21.43 C
ATOM 657 C ARG A 87 -5.008 -3.444 -0.909 1.00 20.84 C
ATOM 658 O ARG A 87 -5.314 -4.605 -0.682 1.00 24.40 O
ATOM 659 CB ARG A 87 -2.579 -2.825 -0.599 1.00 15.37 C
ATOM 660 CG ARG A 87 -1.236 -2.841 -1.201 1.00 18.83 C
ATOM 661 CD ARG A 87 -0.151 -2.962 -0.125 1.00 21.67 C
ATOM 662 NE ARG A 87 -0.142 -1.798 0.763 1.00 21.37 N
ATOM 663 CZ ARG A 87 -0.687 -1.783 1.970 1.00 22.28 C
ATOM 664 NH1 ARG A 87 -1.149 -2.905 2.496 1.00 20.00 N
ATOM 665 NH2 ARG A 87 -0.680 -0.671 2.691 1.00 21.02 N
ATOM 666 N ASN A 88 -5.801 -2.412 -0.658 1.00 21.72 N
ATOM 667 CA ASN A 88 -7.021 -2.552 0.114 1.00 19.12 C
ATOM 668 C ASN A 88 -8.002 -3.476 -0.585 1.00 21.99 C
ATOM 669 O ASN A 88 -8.691 -4.250 0.061 1.00 24.63 O
ATOM 670 CB ASN A 88 -7.641 -1.184 0.415 1.00 17.71 C
ATOM 671 CG ASN A 88 -8.355 -0.568 -0.772 1.00 23.05 C
ATOM 672 OD1 ASN A 88 -7.731 -0.273 -1.806 1.00 24.51 O
ATOM 673 ND2 ASN A 88 -9.630 -0.213 -0.577 1.00 21.17 N
ATOM 674 N LEU A 89 -8.011 -3.450 -1.910 1.00 21.73 N
ATOM 675 CA LEU A 89 -8.831 -4.393 -2.619 1.00 21.46 C
ATOM 676 C LEU A 89 -8.027 -5.559 -3.146 1.00 21.01 C
ATOM 677 O LEU A 89 -8.581 -6.605 -3.376 1.00 22.81 O
ATOM 678 CB LEU A 89 -9.582 -3.720 -3.764 1.00 24.37 C
ATOM 679 CG LEU A 89 -10.592 -2.604 -3.489 1.00 26.43 C
ATOM 680 CD1 LEU A 89 -11.309 -2.245 -4.809 1.00 27.76 C
ATOM 681 CD2 LEU A 89 -11.590 -3.060 -2.421 1.00 29.10 C
ATOM 682 N LEU A 90 -6.717 -5.424 -3.284 1.00 18.04 N
ATOM 683 CA LEU A 90 -5.942 -6.551 -3.841 1.00 21.90 C
ATOM 684 C LEU A 90 -5.910 -7.754 -2.894 1.00 22.24 C
ATOM 685 O LEU A 90 -5.786 -8.919 -3.324 1.00 20.42 O
ATOM 686 CB LEU A 90 -4.497 -6.133 -4.199 1.00 21.44 C
ATOM 687 CG LEU A 90 -4.230 -5.326 -5.482 1.00 19.50 C
ATOM 688 CD1 LEU A 90 -2.762 -5.053 -5.632 1.00 20.48 C
ATOM 689 CD2 LEU A 90 -4.755 -6.088 -6.684 1.00 15.96 C
ATOM 690 N THR A 91 -6.022 -7.454 -1.607 1.00 20.88 N
ATOM 691 CA THR A 91 -5.940 -8.495 -0.589 1.00 25.31 C
ATOM 692 C THR A 91 -7.232 -9.375 -0.631 1.00 25.69 C
ATOM 693 O THR A 91 -7.191 -10.612 -0.587 1.00 29.29 O
ATOM 694 CB THR A 91 -5.758 -7.831 0.801 1.00 21.94 C
ATOM 695 OG1 THR A 91 -6.803 -6.854 1.008 1.00 20.91 O
ATOM 696 CG2 THR A 91 -4.411 -7.117 0.889 1.00 24.44 C
ATOM 697 N GLN A 92 -8.357 -8.708 -0.848 1.00 23.55 N
ATOM 698 CA GLN A 92 -9.674 -9.336 -0.887 1.00 23.15 C
ATOM 699 C GLN A 92 -9.831 -10.316 -2.017 1.00 25.63 C
ATOM 700 O GLN A 92 -10.668 -11.234 -1.916 1.00 29.05 O
ATOM 701 CB GLN A 92 -10.756 -8.273 -1.029 1.00 17.48 C
ATOM 702 CG GLN A 92 -10.708 -7.216 0.058 1.00 12.58 C
ATOM 703 CD GLN A 92 -10.925 -7.807 1.444 1.00 23.01 C
ATOM 704 OE1 GLN A 92 -9.995 -7.939 2.218 1.00 24.98 O
ATOM 705 NE2 GLN A 92 -12.114 -8.305 1.690 1.00 15.18 N
ATOM 706 N ILE A 93 -9.062 -10.136 -3.090 1.00 25.00 N
ATOM 707 CA ILE A 93 -9.157 -11.062 -4.209 1.00 25.37 C
ATOM 708 C ILE A 93 -8.026 -12.061 -4.178 1.00 24.18 C
ATOM 709 O ILE A 93 -7.910 -12.887 -5.069 1.00 26.26 O
ATOM 710 CB ILE A 93 -9.224 -10.313 -5.620 1.00 24.44 C
ATOM 711 CG1 ILE A 93 -7.885 -9.597 -5.950 1.00 24.46 C
ATOM 712 CG2 ILE A 93 -10.436 -9.368 -5.632 1.00 22.23 C
ATOM 713 CD1 ILE A 93 -7.626 -9.306 -7.465 1.00 24.68 C
ATOM 714 N GLY A 94 -7.189 -11.971 -3.157 1.00 24.04 N
ATOM 715 CA GLY A 94 -6.195 -12.992 -2.956 1.00 25.09 C
ATOM 716 C GLY A 94 -4.938 -12.803 -3.777 1.00 27.08 C
ATOM 717 O GLY A 94 -4.218 -13.767 -4.046 1.00 28.80 O
ATOM 718 N CYS A 95 -4.564 -11.553 -4.002 1.00 27.02 N
ATOM 719 CA CYS A 95 -3.438 -11.266 -4.880 1.00 26.34 C
ATOM 720 C CYS A 95 -2.120 -11.303 -4.147 1.00 26.35 C
ATOM 721 O CYS A 95 -1.992 -10.766 -3.049 1.00 28.34 O
ATOM 722 CB CYS A 95 -3.646 -9.917 -5.530 1.00 27.62 C
ATOM 723 SG CYS A 95 -2.521 -9.574 -6.857 1.00 32.32 S
ATOM 724 N THR A 96 -1.142 -11.985 -4.727 1.00 27.53 N
ATOM 725 CA THR A 96 0.209 -11.978 -4.166 1.00 27.51 C
ATOM 726 C THR A 96 1.250 -11.705 -5.236 1.00 27.27 C
ATOM 727 O THR A 96 1.010 -11.838 -6.448 1.00 27.30 O
ATOM 728 CB THR A 96 0.640 -13.341 -3.519 1.00 28.47 C
ATOM 729 OG1 THR A 96 0.454 -14.398 -4.480 1.00 28.16 O
ATOM 730 CG2 THR A 96 -0.178 -13.610 -2.258 1.00 26.73 C
ATOM 731 N LEU A 97 2.427 -11.350 -4.740 1.00 28.68 N
ATOM 732 CA LEU A 97 3.639 -11.090 -5.514 1.00 26.62 C
ATOM 733 C LEU A 97 4.524 -12.313 -5.273 1.00 25.49 C
ATOM 734 O LEU A 97 4.835 -12.650 -4.121 1.00 23.96 O
ATOM 735 CB LEU A 97 4.307 -9.879 -4.871 1.00 24.94 C
ATOM 736 CG LEU A 97 4.743 -8.606 -5.546 1.00 28.32 C
ATOM 737 CD1 LEU A 97 4.171 -8.433 -6.933 1.00 27.79 C
ATOM 738 CD2 LEU A 97 4.328 -7.498 -4.628 1.00 26.48 C
ATOM 739 N ASN A 98 4.958 -12.966 -6.333 1.00 26.29 N
ATOM 740 CA ASN A 98 5.826 -14.118 -6.190 1.00 29.12 C
ATOM 741 C ASN A 98 7.095 -13.980 -7.020 1.00 29.85 C
ATOM 742 O ASN A 98 7.018 -13.675 -8.223 1.00 26.89 O
ATOM 743 CB ASN A 98 5.057 -15.375 -6.582 1.00 33.75 C
ATOM 744 CG ASN A 98 3.783 -15.571 -5.754 1.00 40.13 C
ATOM 745 OD1 ASN A 98 2.781 -14.856 -5.935 1.00 43.34 O
ATOM 746 ND2 ASN A 98 3.858 -16.447 -4.768 1.00 42.07 N
ATOM 747 N PHE A 99 8.253 -14.171 -6.382 1.00 31.14 N
ATOM 748 CA PHE A 99 9.496 -14.413 -7.155 1.00 35.14 C
ATOM 749 C PHE A 99 10.369 -15.586 -6.644 1.00 34.93 C
ATOM 750 O PHE A 99 10.637 -15.644 -5.415 1.00 36.66 O
ATOM 751 CB PHE A 99 10.350 -13.124 -7.267 1.00 32.92 C
ATOM 752 CG PHE A 99 10.658 -12.482 -5.953 1.00 31.47 C
ATOM 753 CD1 PHE A 99 9.728 -11.666 -5.352 1.00 29.83 C
ATOM 754 CD2 PHE A 99 11.914 -12.614 -5.383 1.00 28.13 C
ATOM 755 CE1 PHE A 99 10.026 -10.983 -4.210 1.00 27.98 C
ATOM 756 CE2 PHE A 99 12.251 -11.935 -4.240 1.00 25.49 C
ATOM 757 CZ PHE A 99 11.308 -11.105 -3.644 1.00 27.25 C
ATOM 758 N PRO B 1 10.076 -15.879 -2.598 1.00 48.12 N
ATOM 759 CA PRO B 1 9.023 -15.811 -1.536 1.00 43.36 C
ATOM 760 C PRO B 1 7.660 -15.519 -2.140 1.00 39.59 C
ATOM 761 O PRO B 1 7.542 -15.329 -3.326 1.00 37.70 O
ATOM 762 CB PRO B 1 9.376 -14.717 -0.521 1.00 46.58 C
ATOM 763 CG PRO B 1 10.466 -13.894 -1.212 1.00 48.47 C
ATOM 764 CD PRO B 1 11.146 -14.929 -2.097 1.00 50.98 C
ATOM 765 N GLN B 2 6.633 -15.516 -1.307 1.00 36.85 N
ATOM 766 CA GLN B 2 5.304 -15.058 -1.693 1.00 37.15 C
ATOM 767 C GLN B 2 4.994 -13.935 -0.735 1.00 36.43 C
ATOM 768 O GLN B 2 5.108 -14.109 0.469 1.00 39.41 O
ATOM 769 CB GLN B 2 4.256 -16.171 -1.523 1.00 38.60 C
ATOM 770 CG GLN B 2 2.817 -15.684 -1.658 1.00 39.92 C
ATOM 771 CD GLN B 2 1.816 -16.807 -1.874 1.00 44.52 C
ATOM 772 OE1 GLN B 2 0.798 -16.877 -1.193 1.00 48.57 O
ATOM 773 NE2 GLN B 2 2.090 -17.681 -2.838 1.00 45.25 N
ATOM 774 N ILE B 3 4.620 -12.786 -1.261 1.00 32.18 N
ATOM 775 CA ILE B 3 4.376 -11.645 -0.423 1.00 30.91 C
ATOM 776 C ILE B 3 2.914 -11.273 -0.557 1.00 28.84 C
ATOM 777 O ILE B 3 2.443 -10.926 -1.638 1.00 28.43 O
ATOM 778 CB ILE B 3 5.252 -10.424 -0.847 1.00 33.01 C
ATOM 779 CG1 ILE B 3 6.735 -10.714 -0.634 1.00 35.76 C
ATOM 780 CG2 ILE B 3 4.881 -9.211 -0.020 1.00 31.17 C
ATOM 781 CD1 ILE B 3 7.594 -9.976 -1.620 1.00 36.59 C
ATOM 782 N THR B 4 2.194 -11.355 0.544 1.00 24.52 N
ATOM 783 CA THR B 4 0.798 -10.959 0.547 1.00 26.46 C
ATOM 784 C THR B 4 0.794 -9.465 0.776 1.00 23.26 C
ATOM 785 O THR B 4 1.839 -8.855 1.009 1.00 23.16 O
ATOM 786 CB THR B 4 -0.009 -11.720 1.672 1.00 30.32 C
ATOM 787 OG1 THR B 4 0.664 -11.583 2.942 1.00 32.67 O
ATOM 788 CG2 THR B 4 -0.115 -13.205 1.357 1.00 30.57 C
ATOM 789 N LEU B 5 -0.363 -8.841 0.718 1.00 21.95 N
ATOM 790 CA LEU B 5 -0.374 -7.392 0.492 1.00 21.45 C
ATOM 791 C LEU B 5 -1.156 -6.676 1.575 1.00 22.43 C
ATOM 792 O LEU B 5 -1.652 -5.570 1.381 1.00 22.26 O
ATOM 793 CB LEU B 5 -0.973 -7.080 -0.885 1.00 18.69 C
ATOM 794 CG LEU B 5 -0.133 -7.553 -2.073 1.00 18.41 C
ATOM 795 CD1 LEU B 5 -0.888 -7.312 -3.357 1.00 16.32 C
ATOM 796 CD2 LEU B 5 1.244 -6.804 -2.064 1.00 16.07 C
ATOM 797 N TRP B 6 -1.257 -7.300 2.737 1.00 21.66 N
ATOM 798 CA TRP B 6 -1.929 -6.676 3.855 1.00 21.58 C
ATOM 799 C TRP B 6 -1.092 -5.522 4.385 1.00 21.21 C
ATOM 800 O TRP B 6 -1.638 -4.521 4.848 1.00 22.05 O
ATOM 801 CB TRP B 6 -2.199 -7.722 4.944 1.00 19.59 C
ATOM 802 CG TRP B 6 -2.954 -8.948 4.480 1.00 18.40 C
ATOM 803 CD1 TRP B 6 -2.420 -10.139 4.048 1.00 17.80 C
ATOM 804 CD2 TRP B 6 -4.385 -9.050 4.268 1.00 14.37 C
ATOM 805 NE1 TRP B 6 -3.438 -10.933 3.538 1.00 17.13 N
ATOM 806 CE2 TRP B 6 -4.637 -10.316 3.667 1.00 17.08 C
ATOM 807 CE3 TRP B 6 -5.482 -8.207 4.510 1.00 17.33 C
ATOM 808 CZ2 TRP B 6 -5.944 -10.729 3.276 1.00 16.59 C
ATOM 809 CZ3 TRP B 6 -6.745 -8.638 4.162 1.00 15.43 C
ATOM 810 CH2 TRP B 6 -6.974 -9.891 3.527 1.00 18.86 C
ATOM 811 N GLN B 7 0.231 -5.671 4.346 1.00 23.30 N
ATOM 812 CA GLN B 7 1.193 -4.618 4.727 1.00 24.55 C
ATOM 813 C GLN B 7 1.833 -4.161 3.424 1.00 23.64 C
ATOM 814 O GLN B 7 1.779 -4.863 2.412 1.00 23.66 O
ATOM 815 CB GLN B 7 2.303 -5.195 5.626 1.00 32.55 C
ATOM 816 CG GLN B 7 1.912 -5.597 7.074 1.00 41.57 C
ATOM 817 CD GLN B 7 3.139 -5.674 8.040 1.00 50.90 C
ATOM 818 OE1 GLN B 7 4.164 -6.309 7.730 1.00 55.87 O
ATOM 819 NE2 GLN B 7 3.016 -5.047 9.216 1.00 51.09 N
ATOM 820 N ARG B 8 2.458 -2.996 3.422 1.00 21.29 N
ATOM 821 CA ARG B 8 3.257 -2.577 2.258 1.00 20.70 C
ATOM 822 C ARG B 8 4.262 -3.625 1.916 1.00 19.16 C
ATOM 823 O ARG B 8 5.009 -4.087 2.802 1.00 22.46 O
ATOM 824 CB ARG B 8 3.999 -1.252 2.508 1.00 21.59 C
ATOM 825 CG ARG B 8 3.084 -0.059 2.559 1.00 27.03 C
ATOM 826 CD ARG B 8 3.846 1.218 2.651 1.00 28.48 C
ATOM 827 NE ARG B 8 2.948 2.353 2.587 1.00 38.82 N
ATOM 828 CZ ARG B 8 3.351 3.614 2.445 1.00 45.44 C
ATOM 829 NH1 ARG B 8 4.648 3.914 2.377 1.00 47.55 N
ATOM 830 NH2 ARG B 8 2.452 4.589 2.393 1.00 49.71 N
ATOM 831 N PRO B 9 4.483 -3.850 0.616 1.00 18.31 N
ATOM 832 CA PRO B 9 5.504 -4.854 0.309 1.00 16.67 C
ATOM 833 C PRO B 9 6.898 -4.246 0.293 1.00 18.20 C
ATOM 834 O PRO B 9 7.453 -3.971 -0.778 1.00 17.79 O
ATOM 835 CB PRO B 9 5.099 -5.382 -1.043 1.00 15.13 C
ATOM 836 CG PRO B 9 4.478 -4.186 -1.679 1.00 13.81 C
ATOM 837 CD PRO B 9 3.693 -3.511 -0.583 1.00 15.31 C
ATOM 838 N LEU B 10 7.452 -4.020 1.470 1.00 18.74 N
ATOM 839 CA LEU B 10 8.821 -3.526 1.600 1.00 24.75 C
ATOM 840 C LEU B 10 9.837 -4.657 1.723 1.00 28.33 C
ATOM 841 O LEU B 10 9.727 -5.503 2.584 1.00 34.15 O
ATOM 842 CB LEU B 10 8.957 -2.622 2.827 1.00 22.30 C
ATOM 843 CG LEU B 10 8.014 -1.426 2.883 1.00 26.19 C
ATOM 844 CD1 LEU B 10 8.237 -0.715 4.190 1.00 26.68 C
ATOM 845 CD2 LEU B 10 8.252 -0.499 1.749 1.00 25.72 C
ATOM 846 N VAL B 11 10.828 -4.666 0.844 1.00 29.04 N
ATOM 847 CA VAL B 11 11.970 -5.559 0.933 1.00 25.94 C
ATOM 848 C VAL B 11 13.229 -4.740 1.235 1.00 28.64 C
ATOM 849 O VAL B 11 13.198 -3.504 1.207 1.00 26.28 O
ATOM 850 CB VAL B 11 12.155 -6.275 -0.387 1.00 26.71 C
ATOM 851 CG1 VAL B 11 10.938 -7.149 -0.630 1.00 26.27 C
ATOM 852 CG2 VAL B 11 12.329 -5.276 -1.528 1.00 23.17 C
ATOM 853 N THR B 12 14.332 -5.425 1.530 1.00 29.16 N
ATOM 854 CA THR B 12 15.601 -4.754 1.794 1.00 29.59 C
ATOM 855 C THR B 12 16.455 -4.887 0.527 1.00 27.37 C
ATOM 856 O THR B 12 16.516 -5.942 -0.101 1.00 28.24 O
ATOM 857 CB THR B 12 16.315 -5.395 3.021 1.00 33.38 C
ATOM 858 OG1 THR B 12 17.526 -4.699 3.299 1.00 41.16 O
ATOM 859 CG2 THR B 12 16.662 -6.851 2.787 1.00 37.24 C
ATOM 860 N ILE B 13 17.028 -3.785 0.075 1.00 27.04 N
ATOM 861 CA ILE B 13 17.877 -3.822 -1.117 1.00 26.55 C
ATOM 862 C ILE B 13 19.280 -3.424 -0.711 1.00 28.05 C
ATOM 863 O ILE B 13 19.501 -2.723 0.303 1.00 25.03 O
ATOM 864 CB ILE B 13 17.406 -2.834 -2.255 1.00 25.84 C
ATOM 865 CG1 ILE B 13 17.378 -1.368 -1.738 1.00 28.87 C
ATOM 866 CG2 ILE B 13 16.049 -3.260 -2.753 1.00 20.54 C
ATOM 867 CD1 ILE B 13 17.074 -0.313 -2.809 1.00 29.32 C
ATOM 868 N LYS B 14 20.245 -3.902 -1.477 1.00 27.45 N
ATOM 869 CA LYS B 14 21.614 -3.468 -1.251 1.00 26.92 C
ATOM 870 C LYS B 14 22.067 -2.791 -2.547 1.00 26.01 C
ATOM 871 O LYS B 14 21.964 -3.362 -3.640 1.00 24.75 O
ATOM 872 CB LYS B 14 22.532 -4.656 -0.929 1.00 25.93 C
ATOM 873 CG LYS B 14 23.927 -4.250 -0.537 1.00 27.04 C
ATOM 874 CD LYS B 14 24.510 -5.194 0.446 1.00 32.12 C
ATOM 875 CE LYS B 14 25.130 -6.358 -0.251 1.00 34.02 C
ATOM 876 NZ LYS B 14 26.373 -6.769 0.454 1.00 41.05 N
ATOM 877 N ILE B 15 22.544 -1.568 -2.401 1.00 26.74 N
ATOM 878 CA ILE B 15 23.069 -0.797 -3.505 1.00 30.24 C
ATOM 879 C ILE B 15 24.173 0.110 -2.950 1.00 33.16 C
ATOM 880 O ILE B 15 24.046 0.743 -1.906 1.00 31.38 O
ATOM 881 CB ILE B 15 21.917 0.037 -4.198 1.00 31.34 C
ATOM 882 CG1 ILE B 15 22.440 0.744 -5.448 1.00 32.33 C
ATOM 883 CG2 ILE B 15 21.286 1.035 -3.231 1.00 28.02 C
ATOM 884 CD1 ILE B 15 21.322 1.287 -6.340 1.00 33.84 C
ATOM 885 N GLY B 16 25.307 0.102 -3.625 1.00 36.75 N
ATOM 886 CA GLY B 16 26.437 0.865 -3.142 1.00 39.96 C
ATOM 887 C GLY B 16 26.955 0.347 -1.817 1.00 40.86 C
ATOM 888 O GLY B 16 27.598 1.079 -1.074 1.00 42.44 O
ATOM 889 N GLY B 17 26.787 -0.949 -1.577 1.00 40.79 N
ATOM 890 CA GLY B 17 27.220 -1.510 -0.313 1.00 37.08 C
ATOM 891 C GLY B 17 26.354 -1.069 0.837 1.00 35.82 C
ATOM 892 O GLY B 17 26.574 -1.494 1.948 1.00 37.78 O
ATOM 893 N GLN B 18 25.323 -0.280 0.582 1.00 32.85 N
ATOM 894 CA GLN B 18 24.387 0.058 1.641 1.00 35.03 C ATOM 895 C GLN B 18 23.093 -0.779 1.567 1.00 34.53 C
ATOM 896 O GLN B 18 22.699 -1.285 0.488 1.00 33.51 O
ATOM 897 CB GLN B 18 24.010 1.523 1.592 1.00 40.01 C
ATOM 898 CG GLN B 18 25.114 2.493 1.914 1.00 47.43 C
ATOM 899 CD GLN B 18 25.166 3.615 0.882 1.00 53.35 C
ATOM 900 OE1 GLN B 18 26.053 3.639 0.021 1.00 55.74 O
ATOM 901 NE2 GLN B 18 24.153 4.492 0.897 1.00 54.03 N
ATOM 902 N LEU B 19 22.429 -0.925 2.718 1.00 32.63 N
ATOM 903 CA LEU B 19 21.124 -1.590 2.788 1.00 29.37 C
ATOM 904 C LEU B 19 20.060 -0.522 2.930 1.00 28.10 C
ATOM 905 O LEU B 19 20.166 0.337 3.795 1.00 29.04 O
ATOM 906 CB LEU B 19 21.058 -2.505 4.024 1.00 28.40 C
ATOM 907 CG LEU B 19 21.924 -3.781 4.092 1.00 26.42 C
ATOM 908 CD1 LEU B 19 21.619 -4.549 5.336 1.00 22.91 C
ATOM 909 CD2 LEU B 19 21.668 -4.624 2.869 1.00 23.99 C
ATOM 910 N LYS B 20 19.056 -0.545 2.066 1.00 28.58 N
ATOM 911 CA LYS B 20 17.932 0.386 2.154 1.00 25.77 C
ATOM 912 C LYS B 20 16.671 -0.427 2.116 1.00 26.35 C
ATOM 913 O LYS B 20 16.695 -1.600 1.773 1.00 25.15 O
ATOM 914 CB LYS B 20 17.890 1.314 0.957 1.00 29.54 C
ATOM 915 CG LYS B 20 19.243 1.691 0.385 1.00 36.66 C
ATOM 916 CD LYS B 20 19.813 2.929 1.057 1.00 41.68 C
ATOM 917 CE LYS B 20 20.829 3.623 0.155 1.00 45.08 C
ATOM 918 NZ LYS B 20 20.138 4.457 -0.867 1.00 46.33 N
ATOM 919 N GLU B 21 15.554 0.221 2.414 1.00 24.88 N
ATOM 920 CA GLU B 21 14.225 -0.365 2.277 1.00 25.39 C
ATOM 921 C GLU B 21 13.569 0.199 1.042 1.00 23.31 C
ATOM 922 O GLU B 21 13.704 1.389 0.737 1.00 25.34 O
ATOM 923 CB GLU B 21 13.384 -0.002 3.491 1.00 32.42 C
ATOM 924 CG GLU B 21 12.560 -1.149 4.032 1.00 47.17 C
ATOM 925 CD GLU B 21 12.393 -1.069 5.535 1.00 57.11 C
ATOM 926 OE1 GLU B 21 11.887 -0.027 6.023 1.00 62.83 O
ATOM 927 OE2 GLU B 21 12.810 -2.023 6.233 1.00 64.02 O
ATOM 928 N ALA B 22 12.855 -0.639 0.318 1.00 16.20 N
ATOM 929 CA ALA B 22 12.189 -0.195 -0.916 1.00 14.52 C
ATOM 930 C ALA B 22 10.827 -0.907 -1.043 1.00 15.55 C
ATOM 931 O ALA B 22 10.632 -2.011 -0.524 1.00 17.95 O
ATOM 932 CB ALA B 22 13.042 -0.540 -2.125 1.00 11.99 C
ATOM 933 N LEU B 23 9.900 -0.256 -1.715 1.00 14.37 N
ATOM 934 CA LEU B 23 8.567 -0.760 -2.009 1.00 15.39 C
ATOM 935 C LEU B 23 8.579 -1.491 -3.341 1.00 15.08 C
ATOM 936 O LEU B 23 8.968 -0.929 -4.349 1.00 14.05 O
ATOM 937 CB LEU B 23 7.667 0.433 -2.115 1.00 16.68 C
ATOM 938 CG LEU B 23 6.209 0.230 -2.401 1.00 20.94 C
ATOM 939 CD1 LEU B 23 5.532 -0.442 -1.211 1.00 18.77 C
ATOM 940 CD2 LEU B 23 5.653 1.622 -2.645 1.00 21.23 C
ATOM 941 N LEU B 24 8.188 -2.757 -3.354 1.00 13.16 N
ATOM 942 CA LEU B 24 7.874 -3.447 -4.622 1.00 17.92 C
ATOM 943 C LEU B 24 6.590 -2.942 -5.272 1.00 18.17 C
ATOM 944 O LEU B 24 5.534 -3.106 -4.737 1.00 19.32 O
ATOM 945 CB LEU B 24 7.763 -4.968 -4.418 1.00 17.42 C
ATOM 946 CG LEU B 24 8.971 -5.693 -3.815 1.00 19.17 C
ATOM 947 CD1 LEU B 24 8.594 -7.156 -3.628 1.00 20.12 C
ATOM 948 CD2 LEU B 24 10.188 -5.585 -4.715 1.00 19.21 C
ATOM 949 N ASP B 25 6.687 -2.356 -6.456 1.00 19.08 N
ATOM 950 CA ASP B 25 5.624 -1.499 -6.957 1.00 18.20 C
ATOM 951 C ASP B 25 5.279 -1.824 -8.404 1.00 19.09 C
ATOM 952 O ASP B 25 5.857 -1.278 -9.333 1.00 18.68 O
ATOM 953 CB ASP B 25 6.076 -0.045 -6.802 1.00 18.15 C
ATOM 954 CG ASP B 25 4.961 0.955 -7.014 1.00 20.90 C
ATOM 955 OD1 ASP B 25 3.950 0.622 -7.643 1.00 23.13 O
ATOM 956 OD2 ASP B 25 5.108 2.095 -6.573 1.00 22.18 O
ATOM 957 N THR B 26 4.281 -2.670 -8.604 1.00 14.92 N
ATOM 958 CA THR B 26 3.875 -3.070 -9.937 1.00 13.68 C
ATOM 959 C THR B 26 3.260 -1.892 -10.718 1.00 15.84 C
ATOM 960 O THR B 26 3.189 -1.943 -11.936 1.00 18.69 O
ATOM 961 CB THR B 26 2.891 -4.283 -9.878 1.00 15.43 C
ATOM 962 OG1 THR B 26 1.724 -3.943 -9.125 1.00 15.52 O
ATOM 963 CG2 THR B 26 3.559 -5.468 -9.205 1.00 15.01 C
ATOM 964 N GLY B 27 2.841 -0.830 -10.029 1.00 13.19 N
ATOM 965 CA GLY B 27 2.239 0.293 -10.733 1.00 13.54 C
ATOM 966 C GLY B 27 3.291 1.259 -11.241 1.00 17.44 C
ATOM 967 O GLY B 27 2.948 2.308 -11.825 1.00 18.85 O
ATOM 968 N ALA B 28 4.561 0.993 -10.912 1.00 17.91 N
ATOM 969 CA ALA B 28 5.678 1.848 -11.348 1.00 18.89 C
ATOM 970 C ALA B 28 6.425 1.244 -12.552 1.00 20.66 C
ATOM 971 O ALA B 28 6.927 0.100 -12.481 1.00 22.38 O
ATOM 972 CB ALA B 28 6.656 2.098 -10.159 1.00 13.77 C
ATOM 973 N ASP B 29 6.481 1.988 -13.670 1.00 20.64 N
ATOM 974 CA ASP B 29 7.250 1.537 -14.830 1.00 14.85 C
ATOM 975 C ASP B 29 8.710 1.440 -14.539 1.00 14.01 C
ATOM 976 O ASP B 29 9.340 0.497 -14.971 1.00 17.76 O
ATOM 977 CB ASP B 29 7.016 2.427 -16.008 1.00 15.99 C
ATOM 978 CG ASP B 29 5.565 2.536 -16.330 1.00 22.55 C
ATOM 979 OD1 ASP B 29 4.845 1.535 -16.184 1.00 27.81 O
ATOM 980 OD2 ASP B 29 5.093 3.638 -16.649 1.00 29.43 O
ATOM 981 N ASP B 30 9.231 2.351 -13.719 1.00 16.70 N
ATOM 982 CA ASP B 30 10.665 2.409 -13.442 1.00 15.10 C
ATOM 983 C ASP B 30 10.972 2.389 -11.970 1.00 16.38 C
ATOM 984 O ASP B 30 10.105 2.582 -11.142 1.00 17.11 O
ATOM 985 CB ASP B 30 11.263 3.680 -14.014 1.00 21.76 C
ATOM 986 CG ASP B 30 10.802 3.957 -15.436 1.00 25.41 C
ATOM 987 OD1 ASP B 30 11.211 3.192 -16.346 1.00 25.58 O
ATOM 988 OD2 ASP B 30 10.051 4.951 -15.624 1.00 27.89 O
ATOM 989 N THR B 31 12.252 2.209 -11.662 1.00 18.44 N
ATOM 990 CA THR B 31 12.798 2.177 -10.293 1.00 15.45 C
ATOM 991 C THR B 31 13.364 3.578 -9.934 1.00 19.23 C
ATOM 992 O THR B 31 14.168 4.114 -10.682 1.00 18.95 O
ATOM 993 CB THR B 31 13.901 1.094 -10.268 1.00 12.28 C
ATOM 994 OG1 THR B 31 13.291 -0.167 -10.531 1.00 13.54 O
ATOM 995 CG2 THR B 31 14.651 1.056 -8.971 1.00 10.95 C
ATOM 996 N VAL B 32 12.896 4.179 -8.831 1.00 19.53 N
ATOM 997 CA VAL B 32 13.374 5.487 -8.372 1.00 18.71 C
ATOM 998 C VAL B 32 13.813 5.347 -6.966 1.00 19.01 C
ATOM 999 O VAL B 32 13.055 4.883 -6.111 1.00 19.90 O
ATOM 1000 CB VAL B 32 12.317 6.587 -8.219 1.00 20.49 C
ATOM 1001 CG1 VAL B 32 12.961 7.896 -8.549 1.00 26.38 C
ATOM 1002 CG2 VAL B 32 11.071 6.298 -9.020 1.00 20.87 C
ATOM 1003 N LEU B 33 15.024 5.795 -6.687 1.00 22.78 N
ATOM 1004 CA LEU B 33 15.543 5.791 -5.317 1.00 23.84 C
ATOM 1005 C LEU B 33 15.671 7.238 -4.811 1.00 27.19 C
ATOM 1006 O LEU B 33 15.791 8.178 -5.600 1.00 26.71 O
ATOM 1007 CB LEU B 33 16.905 5.097 -5.289 1.00 21.02 C
ATOM 1008 CG LEU B 33 17.030 3.653 -5.786 1.00 20.79 C
ATOM 1009 CD1 LEU B 33 18.331 3.095 -5.333 1.00 21.64 C
ATOM 1010 CD2 LEU B 33 15.904 2.826 -5.258 1.00 23.27 C
ATOM 1011 N GLU B 34 15.555 7.411 -3.498 1.00 26.46 N
ATOM 1012 CA GLU B 34 15.820 8.670 -2.825 1.00 26.40 C
ATOM 1013 C GLU B 34 17.202 9.152 -3.174 1.00 26.66 C
ATOM 1014 O GLU B 34 18.037 8.414 -3.682 1.00 26.75 O
ATOM 1015 CB GLU B 34 15.688 8.524 -1.313 1.00 24.89 C
ATOM 1016 CG GLU B 34 14.256 8.405 -0.828 1.00 31.34 C
ATOM 1017 CD GLU B 34 14.142 7.754 0.543 1.00 32.62 C
ATOM 1018 OE1 GLU B 34 15.102 7.084 0.973 1.00 39.77 O
ATOM 1019 OE2 GLU B 34 13.067 7.809 1.163 1.00 39.65 O
ATOM 1020 N GLU B 35 17.431 10.421 -2.873 1.00 30.87 N
ATOM 1021 CA GLU B 35 18.640 11.156 -3.209 1.00 32.05 C
ATOM 1022 C GLU B 35 19.852 10.434 -2.702 1.00 32.29 C
ATOM 1023 O GLU B 35 20.061 10.309 -1.503 1.00 37.80 O
ATOM 1024 CB GLU B 35 18.561 12.552 -2.605 1.00 35.17 C
ATOM 1025 CG GLU B 35 19.735 13.454 -2.953 1.00 44.03 C
ATOM 1026 CD GLU B 35 20.268 13.287 -4.386 1.00 44.48 C
ATOM 1027 OE1 GLU B 35 19.493 13.532 -5.333 1.00 38.16 O
ATOM 1028 OE2 GLU B 35 21.496 13.043 -4.534 1.00 46.13 O
ATOM 1029 N MET B 36 20.627 9.916 -3.632 1.00 31.85 N
ATOM 1030 CA MET B 36 21.907 9.323 -3.293 1.00 33.53 C
ATOM 1031 C MET B 36 22.889 9.603 -4.423 1.00 33.93 C
ATOM 1032 O MET B 36 22.529 10.103 -5.476 1.00 36.78 O
ATOM 1033 CB MET B 36 21.757 7.811 -3.112 1.00 35.97 C
ATOM 1034 CG MET B 36 21.142 7.058 -4.249 1.00 35.75 C
ATOM 1035 SD MET B 36 21.093 5.321 -3.832 1.00 43.16 S
ATOM 1036 CE MET B 36 22.845 4.876 -3.533 1.00 42.89 C
ATOM 1037 N SER B 37 24.146 9.288 -4.183 1.00 33.54 N
ATOM 1038 CA SER B 37 25.176 9.477 -5.194 1.00 35.84 C
ATOM 1039 C SER B 37 25.507 8.126 -5.733 1.00 34.42 C
ATOM 1040 O SER B 37 25.780 7.190 -4.961 1.00 33.84 O
ATOM 1041 CB SER B 37 26.399 10.169 -4.571 1.00 38.59 C
ATOM 1042 OG SER B 37 26.008 11.480 -4.029 1.00 41.47 O
ATOM 1043 N LEU B 38 25.402 7.986 -7.041 1.00 35.38 N
ATOM 1044 CA LEU B 38 25.738 6.741 -7.705 1.00 34.72 C
ATOM 1045 C LEU B 38 26.825 6.999 -8.730 1.00 36.10 C
ATOM 1046 O LEU B 38 27.089 8.156 -9.077 1.00 35.71 O
ATOM 1047 CB LEU B 38 24.496 6.213 -8.374 1.00 30.77 C
ATOM 1048 CG LEU B 38 23.563 5.513 -7.433 1.00 26.92 C
ATOM 1049 CD1 LEU B 38 22.259 5.213 -8.157 1.00 29.33 C
ATOM 1050 CD2 LEU B 38 24.240 4.237 -7.016 1.00 27.40 C
ATOM 1051 N PRO B 39 27.606 5.976 -9.089 1.00 39.43 N
ATOM 1052 CA PRO B 39 28.692 6.112 -10.060 1.00 40.91 C
ATOM 1053 C PRO B 39 28.274 6.550 -11.477 1.00 41.38 C
ATOM 1054 O PRO B 39 27.217 6.151 -11.981 1.00 42.07 O
ATOM 1055 CB PRO B 39 29.322 4.728 -10.077 1.00 41.75 C
ATOM 1056 CG PRO B 39 28.226 3.814 -9.628 1.00 41.42 C
ATOM 1057 CD PRO B 39 27.596 4.602 -8.536 1.00 42.37 C
ATOM 1058 N GLY B 40 29.143 7.320 -12.131 1.00 35.62 N
ATOM 1059 CA GLY B 40 28.998 7.509 -13.560 1.00 33.54 C
ATOM 1060 C GLY B 40 28.168 8.706 -13.965 1.00 29.12 C
ATOM 1061 O GLY B 40 27.929 9.601 -13.173 1.00 28.38 O
ATOM 1062 N ARG B 41 27.958 8.827 -15.267 1.00 27.66 N
ATOM 1063 CA ARG B 41 27.190 9.939 -15.814 1.00 28.95 C
ATOM 1064 C ARG B 41 25.694 9.710 -15.620 1.00 30.49 C
ATOM 1065 O ARG B 41 25.259 8.576 -15.493 1.00 31.54 O
ATOM 1066 CB ARG B 41 27.420 10.072 -17.314 1.00 28.94 C
ATOM 1067 CG ARG B 41 28.832 10.008 -17.795 1.00 34.11 C
ATOM 1068 CD ARG B 41 28.894 10.812 -19.081 1.00 34.17 C
ATOM 1069 NE ARG B 41 29.500 12.085 -18.766 1.00 38.61 N
ATOM 1070 CZ ARG B 41 28.962 13.279 -18.989 1.00 35.13 C
ATOM 1071 NH1 ARG B 41 27.918 13.440 -19.797 1.00 27.84 N
ATOM 1072 NH2 ARG B 41 29.551 14.327 -18.453 1.00 27.82 N
ATOM 1073 N TRP B 42 24.909 10.778 -15.700 1.00 27.94 N
ATOM 1074 CA TRP B 42 23.463 10.669 -15.641 1.00 28.18 C
ATOM 1075 C TRP B 42 22.821 11.481 -16.771 1.00 30.79 C
ATOM 1076 O TRP B 42 23.426 12.431 -17.275 1.00 28.97 O
ATOM 1077 CB TRP B 42 22.935 11.171 -14.309 1.00 24.28 C
ATOM 1078 CG TRP B 42 23.239 12.556 -13.973 1.00 18.74 C
ATOM 1079 CD1 TRP B 42 24.314 13.018 -13.283 1.00 16.49 C
ATOM 1080 CD2 TRP B 42 22.360 13.679 -14.128 1.00 18.74 C
ATOM 1081 NE1 TRP B 42 24.152 14.352 -12.994 1.00 16.06 N
ATOM 1082 CE2 TRP B 42 22.975 14.786 -13.510 1.00 14.09 C
ATOM 1083 CE3 TRP B 42 21.097 13.851 -14.748 1.00 20.09 C
ATOM 1084 CZ2 TRP B 42 22.372 16.072 -13.473 1.00 18.75 C
ATOM 1085 CZ3 TRP B 42 20.500 15.122 -14.680 1.00 22.86 C
ATOM 1086 CH2 TRP B 42 21.142 16.216 -14.035 1.00 20.90 C
ATOM 1087 N LYS B 43 21.613 11.055 -17.177 1.00 31.89 N
ATOM 1088 CA LYS B 43 20.755 11.690 -18.196 1.00 30.18 C
ATOM 1089 C LYS B 43 19.599 12.291 -17.415 1.00 27.53 C
ATOM 1090 O LYS B 43 19.315 11.885 -16.272 1.00 25.86 O
ATOM 1091 CB LYS B 43 20.170 10.646 -19.185 1.00 33.16 C
ATOM 1092 CG LYS B 43 21.153 9.820 -20.014 1.00 40.56 C
ATOM 1093 CD LYS B 43 20.428 8.609 -20.686 1.00 49.90 C
ATOM 1094 CE LYS B 43 21.377 7.515 -21.291 1.00 52.53 C
ATOM 1095 NZ LYS B 43 20.616 6.274 -21.740 1.00 52.90 N
ATOM 1096 N PRO B 44 18.829 13.166 -18.040 1.00 25.82 N
ATOM 1097 CA PRO B 44 17.668 13.672 -17.316 1.00 25.30 C
ATOM 1098 C PRO B 44 16.379 12.892 -17.645 1.00 27.71 C
ATOM 1099 O PRO B 44 16.191 12.380 -18.746 1.00 25.94 O
ATOM 1100 CB PRO B 44 17.587 15.110 -17.771 1.00 25.59 C
ATOM 1101 CG PRO B 44 18.093 15.063 -19.211 1.00 26.07 C
ATOM 1102 CD PRO B 44 19.040 13.891 -19.318 1.00 27.58 C
ATOM 1103 N LYS B 45 15.476 12.815 -16.676 1.00 29.96 N
ATOM 1104 CA LYS B 45 14.161 12.229 -16.923 1.00 28.39 C
ATOM 1105 C LYS B 45 13.071 12.869 -16.096 1.00 27.43 C
ATOM 1106 O LYS B 45 13.296 13.292 -14.966 1.00 26.93 O
ATOM 1107 CB LYS B 45 14.175 10.707 -16.696 1.00 27.50 C
ATOM 1108 CG LYS B 45 13.062 9.998 -17.508 1.00 27.69 C
ATOM 1109 CD LYS B 45 13.178 8.510 -17.522 1.00 25.34 C
ATOM 1110 CE LYS B 45 11.875 7.918 -17.998 1.00 32.56 C
ATOM 1111 NZ LYS B 45 11.772 6.454 -17.733 1.00 32.92 N
ATOM 1112 N MET B 46 11.883 12.962 -16.681 1.00 29.02 N
ATOM 1113 CA MET B 46 10.708 13.360 -15.920 1.00 31.16 C
ATOM 1114 C MET B 46 9.796 12.197 -15.888 1.00 29.75 C
ATOM 1115 O MET B 46 9.522 11.599 -16.924 1.00 29.99 O
ATOM 1116 CB MET B 46 9.966 14.500 -16.593 1.00 38.22 C
ATOM 1117 CG MET B 46 10.710 15.805 -16.518 1.00 45.23 C
ATOM 1118 SD MET B 46 9.695 16.968 -15.707 1.00 52.02 S
ATOM 1119 CE MET B 46 8.600 17.415 -17.116 1.00 49.41 C
ATOM 1120 N ILE B 47 9.318 11.883 -14.695 1.00 30.87 N
ATOM 1121 CA ILE B 47 8.350 10.813 -14.491 1.00 29.85 C
ATOM 1122 C ILE B 47 7.162 11.420 -13.803 1.00 27.34 C
ATOM 1123 O ILE B 47 7.302 12.310 -12.962 1.00 26.79 O
ATOM 1124 CB ILE B 47 8.951 9.661 -13.623 1.00 29.30 C
ATOM 1125 CG1 ILE B 47 9.620 10.251 -12.393 1.00 25.99 C
ATOM 1126 CG2 ILE B 47 10.003 8.867 -14.437 1.00 28.73 C
ATOM 1127 CD1 ILE B 47 10.254 9.226 -11.569 1.00 27.41 C
ATOM 1128 N GLY B 48 5.979 10.962 -14.204 1.00 31.53 N
ATOM 1129 CA GLY B 48 4.723 11.472 -13.646 1.00 31.93 C
ATOM 1130 C GLY B 48 3.863 10.415 -12.975 1.00 33.10 C
ATOM 1131 O GLY B 48 3.792 9.255 -13.412 1.00 30.88 O
ATOM 1132 N GLY B 49 3.386 10.761 -11.793 1.00 32.08 N
ATOM 1133 CA GLY B 49 2.461 9.903 -11.092 1.00 34.90 C
ATOM 1134 C GLY B 49 1.246 10.693 -10.729 1.00 35.58 C
ATOM 1135 O GLY B 49 0.664 11.365 -11.572 1.00 36.70 O
ATOM 1136 N ILE B 50 0.736 10.402 -9.549 1.00 35.37 N
ATOM 1137 CA ILE B 50 -0.375 11.126 -8.934 1.00 35.93 C
ATOM 1138 C ILE B 50 0.233 12.435 -8.431 1.00 35.51 C
ATOM 1139 O ILE B 50 1.352 12.445 -7.894 1.00 34.79 O
ATOM 1140 CB ILE B 50 -0.926 10.276 -7.717 1.00 36.57 C
ATOM 1141 CG1 ILE B 50 -1.418 8.909 -8.219 1.00 38.14 C
ATOM 1142 CG2 ILE B 50 -2.017 10.990 -7.001 1.00 34.90 C
ATOM 1143 CD1 ILE B 50 -2.795 8.902 -8.795 1.00 36.99 C
ATOM 1144 N GLY B 51 -0.451 13.546 -8.639 1.00 32.76 N
ATOM 1145 CA GLY B 51 0.064 14.791 -8.092 1.00 34.23 C
ATOM 1146 C GLY B 51 1.053 15.506 -8.993 1.00 37.16 C
ATOM 1147 O GLY B 51 1.339 16.665 -8.758 1.00 40.75 O
ATOM 1148 N GLY B 52 1.480 14.851 -10.070 1.00 36.36 N
ATOM 1149 CA GLY B 52 2.234 15.513 -11.120 1.00 35.14 C
ATOM 1150 C GLY B 52 3.566 14.866 -11.456 1.00 35.06 C
ATOM 1151 O GLY B 52 3.761 13.667 -11.239 1.00 33.99 O
ATOM 1152 N PHE B 53 4.490 15.650 -11.999 1.00 33.56 N
ATOM 1153 CA PHE B 53 5.763 15.102 -12.443 1.00 33.93 C
ATOM 1154 C PHE B 53 6.896 15.477 -11.512 1.00 33.07 C
ATOM 1155 O PHE B 53 6.836 16.502 -10.861 1.00 35.98 O
ATOM 1156 CB PHE B 53 6.029 15.608 -13.833 1.00 35.25 C
ATOM 1157 CG PHE B 53 5.028 15.153 -14.828 1.00 39.11 C
ATOM 1158 CD1 PHE B 53 3.758 15.719 -14.884 1.00 40.72 C
ATOM 1159 CD2 PHE B 53 5.351 14.107 -15.677 1.00 40.77 C
ATOM 1160 CE1 PHE B 53 2.817 15.242 -15.780 1.00 42.79 C
ATOM 1161 CE2 PHE B 53 4.455 13.601 -16.573 1.00 41.95 C
ATOM 1162 CZ PHE B 53 3.168 14.169 -16.646 1.00 44.36 C
ATOM 1163 N ILE B 54 7.892 14.616 -11.371 1.00 30.50 N
ATOM 1164 CA ILE B 54 9.153 15.041 -10.760 1.00 28.82 C
ATOM 1165 C ILE B 54 10.311 14.879 -11.774 1.00 28.68 C
ATOM 1166 O ILE B 54 10.186 14.167 -12.769 1.00 30.25 O
ATOM 1167 CB ILE B 54 9.505 14.293 -9.398 1.00 25.49 C
ATOM 1168 CG1 ILE B 54 9.531 12.781 -9.568 1.00 24.37 C
ATOM 1169 CG2 ILE B 54 8.545 14.692 -8.306 1.00 27.89 C
ATOM 1170 CD1 ILE B 54 10.350 12.081 -8.481 1.00 16.71 C
ATOM 1171 N LYS B 55 11.413 15.580 -11.553 1.00 29.03 N
ATOM 1172 CA LYS B 55 12.528 15.562 -12.500 1.00 31.48 C
ATOM 1173 C LYS B 55 13.474 14.641 -11.792 1.00 28.45 C
ATOM 1174 O LYS B 55 13.744 14.866 -10.643 1.00 28.39 O
ATOM 1175 CB LYS B 55 13.165 16.962 -12.561 1.00 38.52 C
ATOM 1176 CG LYS B 55 13.134 17.702 -13.920 1.00 45.52 C
ATOM 1177 CD LYS B 55 13.954 16.982 -15.034 1.00 51.68 C
ATOM 1178 CE LYS B 55 15.473 16.917 -14.718 1.00 55.32 C
ATOM 1179 NZ LYS B 55 16.090 15.575 -14.934 1.00 51.46 N
ATOM 1180 N VAL B 56 13.982 13.611 -12.435 1.00 25.88 N
ATOM 1181 CA VAL B 56 14.894 12.699 -11.739 1.00 26.87 C
ATOM 1182 C VAL B 56 16.183 12.530 -12.534 1.00 26.06 C
ATOM 1183 O VAL B 56 16.252 12.960 -13.682 1.00 29.12 O
ATOM 1184 CB VAL B 56 14.280 11.293 -11.585 1.00 27.47 C
ATOM 1185 CG1 VAL B 56 13.281 11.278 -10.407 1.00 27.66 C
ATOM 1186 CG2 VAL B 56 13.646 10.857 -12.904 1.00 29.79 C
ATOM 1187 N ARG B 57 17.178 11.847 -11.948 1.00 24.26 N
ATOM 1188 CA ARG B 57 18.455 11.522 -12.620 1.00 21.61 C
ATOM 1189 C ARG B 57 18.550 10.045 -13.002 1.00 20.76 C
ATOM 1190 O ARG B 57 18.535 9.172 -12.145 1.00 24.14 O
ATOM 1191 CB ARG B 57 19.632 11.820 -11.708 1.00 20.35 C
ATOM 1192 CG ARG B 57 19.864 13.285 -11.421 1.00 26.15 C
ATOM 1193 CD ARG B 57 21.227 13.486 -10.787 1.00 24.10 C
ATOM 1194 NE ARG B 57 21.056 13.718 -9.370 1.00 34.58 N
ATOM 1195 CZ ARG B 57 21.465 12.885 -8.427 1.00 31.59 C
ATOM 1196 NH1 ARG B 57 22.400 11.987 -8.704 1.00 33.77 N
ATOM 1197 NH2 ARG B 57 21.128 13.118 -7.170 1.00 29.56 N
ATOM 1198 N GLN B 58 18.709 9.758 -14.280 1.00 19.42 N
ATOM 1199 CA GLN B 58 18.791 8.373 -14.749 1.00 21.62 C
ATOM 1200 C GLN B 58 20.219 7.848 -14.792 1.00 23.18 C
ATOM 1201 O GLN B 58 21.011 8.320 -15.608 1.00 26.34 O
ATOM 1202 CB GLN B 58 18.194 8.250 -16.155 1.00 20.63 C
ATOM 1203 CG GLN B 58 18.262 6.836 -16.682 1.00 18.81 C
ATOM 1204 CD GLN B 58 17.533 6.683 -17.985 1.00 20.16 C
ATOM 1205 OE1 GLN B 58 16.509 7.328 -18.209 1.00 28.16 O
ATOM 1206 NE2 GLN B 58 18.037 5.851 -18.850 1.00 21.91 N
ATOM 1207 N TYR B 59 20.540 6.852 -13.971 1.00 21.35 N
ATOM 1208 CA TYR B 59 21.786 6.096 -14.130 1.00 19.01 C
ATOM 1209 C TYR B 59 21.553 4.745 -14.796 1.00 21.82 C
ATOM 1210 O TYR B 59 20.516 4.140 -14.633 1.00 25.32 O
ATOM 1211 CB TYR B 59 22.419 5.865 -12.792 1.00 18.59 C
ATOM 1212 CG TYR B 59 22.735 7.154 -12.039 1.00 15.73 C
ATOM 1213 CD1 TYR B 59 21.709 7.946 -11.510 1.00 15.43 C
ATOM 1214 CD2 TYR B 59 24.058 7.578 -11.879 1.00 19.10 C
ATOM 1215 CE1 TYR B 59 21.983 9.103 -10.858 1.00 16.84 C
ATOM 1216 CE2 TYR B 59 24.343 8.710 -11.247 1.00 19.50 C
ATOM 1217 CZ TYR B 59 23.325 9.503 -10.738 1.00 22.02 C
ATOM 1218 OH TYR B 59 23.673 10.711 -10.189 1.00 23.01 O
ATOM 1219 N ASP B 60 22.497 4.263 -15.585 1.00 26.17 N
ATOM 1220 CA ASP B 60 22.297 2.983 -16.259 1.00 25.69 C
ATOM 1221 C ASP B 60 23.286 1.927 -15.820 1.00 27.15 C
ATOM 1222 O ASP B 60 24.355 2.235 -15.331 1.00 26.71 O
ATOM 1223 CB ASP B 60 22.403 3.167 -17.748 1.00 30.50 C
ATOM 1224 CG ASP B 60 21.359 4.089 -18.272 1.00 36.31 C
ATOM 1225 OD1 ASP B 60 20.205 3.989 -17.808 1.00 37.41 O
ATOM 1226 OD2 ASP B 60 21.666 4.893 -19.186 1.00 40.37 O
ATOM 1227 N GLN B 61 22.924 0.670 -16.012 1.00 27.15 N
ATOM 1228 CA GLN B 61 23.742 -0.482 -15.624 1.00 29.27 C
ATOM 1229 C GLN B 61 24.235 -0.437 -14.181 1.00 28.21 C
ATOM 1230 O GLN B 61 25.391 -0.739 -13.889 1.00 29.57 O
ATOM 1231 CB GLN B 61 24.927 -0.701 -16.591 1.00 35.98 C
ATOM 1232 CG GLN B 61 25.057 -2.186 -17.089 1.00 45.09 C
ATOM 1233 CD GLN B 61 26.109 -2.462 -18.199 1.00 50.40 C
ATOM 1234 OE1 GLN B 61 26.683 -3.563 -18.254 1.00 49.27 O
ATOM 1235 NE2 GLN B 61 26.281 -1.512 -19.140 1.00 55.52 N
ATOM 1236 N ILE B 62 23.335 -0.115 -13.262 1.00 26.57 N
ATOM 1237 CA ILE B 62 23.646 -0.127 -11.832 1.00 24.82 C
ATOM 1238 C ILE B 62 23.325 -1.510 -11.229 1.00 25.46 C
ATOM 1239 O ILE B 62 22.296 -2.105 -11.532 1.00 25.12 O
ATOM 1240 CB ILE B 62 22.800 0.982 -11.114 1.00 24.26 C
ATOM 1241 CG1 ILE B 62 23.194 2.372 -11.653 1.00 23.74 C
ATOM 1242 CG2 ILE B 62 22.994 0.918 -9.621 1.00 21.48 C
ATOM 1243 CD1 ILE B 62 24.496 2.878 -11.132 1.00 23.09 C
ATOM 1244 N LEU B 63 24.206 -2.025 -10.385 1.00 25.95 N
ATOM 1245 CA LEU B 63 23.946 -3.294 -9.700 1.00 29.84 C
ATOM 1246 C LEU B 63 23.126 -3.000 -8.461 1.00 30.58 C
ATOM 1247 O LEU B 63 23.514 -2.169 -7.645 1.00 31.36 O
ATOM 1248 CB LEU B 63 25.266 -3.978 -9.296 1.00 32.16 C
ATOM 1249 CG LEU B 63 25.271 -5.225 -8.386 1.00 33.80 C
ATOM 1250 CD1 LEU B 63 24.462 -6.381 -8.970 1.00 36.66 C
ATOM 1251 CD2 LEU B 63 26.697 -5.656 -8.209 1.00 38.83 C
ATOM 1252 N ILE B 64 21.993 -3.676 -8.338 1.00 31.59 N
ATOM 1253 CA ILE B 64 21.160 -3.534 -7.157 1.00 31.52 C
ATOM 1254 C ILE B 64 20.634 -4.926 -6.826 1.00 33.29 C
ATOM 1255 O ILE B 64 20.134 -5.640 -7.689 1.00 33.56 O
ATOM 1256 CB ILE B 64 19.977 -2.541 -7.441 1.00 29.35 C
ATOM 1257 CG1 ILE B 64 18.922 -2.596 -6.362 1.00 30.67 C
ATOM 1258 CG2 ILE B 64 19.351 -2.848 -8.767 1.00 34.19 C
ATOM 1259 CD1 ILE B 64 18.150 -1.327 -6.258 1.00 34.50 C
ATOM 1260 N GLU B 65 20.799 -5.313 -5.566 1.00 35.37 N
ATOM 1261 CA GLU B 65 20.361 -6.604 -5.045 1.00 34.26 C
ATOM 1262 C GLU B 65 19.040 -6.504 -4.314 1.00 33.11 C
ATOM 1263 O GLU B 65 18.941 -5.805 -3.296 1.00 32.35 O
ATOM 1264 CB GLU B 65 21.416 -7.132 -4.093 1.00 37.05 C
ATOM 1265 CG GLU B 65 21.506 -8.613 -4.096 1.00 48.15 C
ATOM 1266 CD GLU B 65 22.700 -9.123 -3.346 1.00 54.00 C
ATOM 1267 OE1 GLU B 65 23.756 -8.424 -3.342 1.00 54.40 O
ATOM 1268 OE2 GLU B 65 22.579 -10.253 -2.822 1.00 59.11 O
ATOM 1269 N ILE B 66 18.029 -7.189 -4.842 1.00 34.12 N
ATOM 1270 CA ILE B 66 16.716 -7.226 -4.224 1.00 36.05 C
ATOM 1271 C ILE B 66 16.407 -8.630 -3.641 1.00 37.57 C
ATOM 1272 O ILE B 66 16.312 -9.620 -4.364 1.00 36.67 O
ATOM 1273 CB ILE B 66 15.623 -6.815 -5.249 1.00 33.70 C
ATOM 1274 CG1 ILE B 66 16.074 -5.579 -6.024 1.00 32.55 C
ATOM 1275 CG2 ILE B 66 14.321 -6.519 -4.518 1.00 33.60 C
ATOM 1276 CD1 ILE B 66 15.411 -5.420 -7.378 1.00 35.00 C
ATOM 1277 N CYS B 67 16.285 -8.707 -2.319 1.00 41.68 N
ATOM 1278 CA CYS B 67 16.112 -9.982 -1.597 1.00 44.87 C
ATOM 1279 C CYS B 67 17.139 -11.030 -1.986 1.00 44.44 C
ATOM 1280 O CYS B 67 16.792 -12.183 -2.247 1.00 42.31 O
ATOM 1281 CB CYS B 67 14.712 -10.545 -1.832 1.00 48.45 C
ATOM 1282 SG CYS B 67 13.478 -9.734 -0.795 1.00 54.18 S
ATOM 1283 N GLY B 68 18.403 -10.607 -2.054 1.00 43.24 N
ATOM 1284 CA GLY B 68 19.473 -11.500 -2.458 1.00 41.28 C
ATOM 1285 C GLY B 68 19.326 -11.978 -3.883 1.00 41.98 C
ATOM 1286 O GLY B 68 19.778 -13.062 -4.216 1.00 46.85 O
ATOM 1287 N HIS B 69 18.635 -11.204 -4.719 1.00 40.00 N
ATOM 1288 CA HIS B 69 18.609 -11.448 -6.161 1.00 36.63 C
ATOM 1289 C HIS B 69 19.271 -10.249 -6.794 1.00 34.62 C
ATOM 1290 O HIS B 69 18.828 -9.123 -6.583 1.00 32.72 O
ATOM 1291 CB HIS B 69 17.179 -11.498 -6.680 1.00 39.25 C
ATOM 1292 CG HIS B 69 16.375 -12.672 -6.189 1.00 44.38 C
ATOM 1293 ND1 HIS B 69 15.856 -13.616 -7.023 1.00 46.88 N
ATOM 1294 CD2 HIS B 69 15.944 -12.954 -4.928 1.00 45.80 C
ATOM 1295 CE1 HIS B 69 15.102 -14.453 -6.301 1.00 50.18 C
ATOM 1296 NE2 HIS B 69 15.141 -14.081 -5.062 1.00 47.74 N
ATOM 1297 N LYS B 70 20.330 -10.494 -7.554 1.00 33.27 N
ATOM 1298 CA LYS B 70 21.053 -9.431 -8.225 1.00 31.17 C
ATOM 1299 C LYS B 70 20.400 -9.098 -9.546 1.00 29.41 C
ATOM 1300 O LYS B 70 20.033 -9.985 -10.318 1.00 29.56 O
ATOM 1301 CB LYS B 70 22.505 -9.815 -8.437 1.00 32.71 C
ATOM 1302 CG LYS B 70 23.324 -9.844 -7.149 1.00 34.39 C
ATOM 1303 CD LYS B 70 24.442 -10.871 -7.291 1.00 44.19 C
ATOM 1304 CE LYS B 70 25.341 -10.961 -6.047 1.00 48.61 C
ATOM 1305 NZ LYS B 70 26.478 -9.965 -6.066 1.00 54.35 N
ATOM 1306 N ALA B 71 20.182 -7.803 -9.729 1.00 24.69 N
ATOM 1307 CA ALA B 71 19.650 -7.212 -10.948 1.00 23.65 C
ATOM 1308 C ALA B 71 20.685 -6.144 -11.301 1.00 24.51 C
ATOM 1309 O ALA B 71 21.264 -5.526 -10.403 1.00 24.89 O
ATOM 1310 CB ALA B 71 18.285 -6.561 -10.667 1.00 16.65 C
ATOM 1311 N ILE B 72 20.985 -5.975 -12.583 1.00 25.50 N
ATOM 1312 CA ILE B 72 21.803 -4.838 -13.024 1.00 24.06 C
ATOM 1313 C ILE B 72 20.931 -4.072 -13.998 1.00 22.15 C
ATOM 1314 O ILE B 72 20.562 -4.621 -15.030 1.00 23.87 O
ATOM 1315 CB ILE B 72 23.061 -5.286 -13.822 1.00 24.38 C
ATOM 1316 CG1 ILE B 72 23.856 -6.336 -13.049 1.00 26.24 C
ATOM 1317 CG2 ILE B 72 23.939 -4.092 -14.136 1.00 23.69 C
ATOM 1318 CD1 ILE B 72 24.963 -6.946 -13.947 1.00 23.26 C
ATOM 1319 N GLY B 73 20.589 -2.824 -13.699 1.00 19.12 N
ATOM 1320 CA GLY B 73 19.667 -2.142 -14.586 1.00 19.31 C
ATOM 1321 C GLY B 73 19.623 -0.658 -14.360 1.00 19.37 C
ATOM 1322 O GLY B 73 20.497 -0.137 -13.687 1.00 21.87 O
ATOM 1323 N THR B 74 18.664 0.016 -14.999 1.00 19.61 N
ATOM 1324 CA THR B 74 18.478 1.462 -14.912 1.00 19.07 C
ATOM 1325 C THR B 74 17.781 1.833 -13.629 1.00 22.17 C
ATOM 1326 O THR B 74 16.735 1.246 -13.290 1.00 19.62 O
ATOM 1327 CB THR B 74 17.609 2.013 -16.096 1.00 19.04 C
ATOM 1328 OG1 THR B 74 18.253 1.748 -17.346 1.00 24.28 O
ATOM 1329 CG2 THR B 74 17.380 3.537 -15.935 1.00 17.43 C
ATOM 1330 N VAL B 75 18.365 2.824 -12.947 1.00 18.83 N
ATOM 1331 CA VAL B 75 17.897 3.294 -11.650 1.00 20.46 C
ATOM 1332 C VAL B 75 17.797 4.833 -11.760 1.00 22.85 C
ATOM 1333 O VAL B 75 18.733 5.518 -12.210 1.00 20.15 O
ATOM 1334 CB VAL B 75 18.913 2.873 -10.500 1.00 22.69 C
ATOM 1335 CG1 VAL B 75 18.609 3.564 -9.201 1.00 19.10 C
ATOM 1336 CG2 VAL B 75 18.852 1.356 -10.287 1.00 18.68 C
ATOM 1337 N LEU B 76 16.646 5.371 -11.382 1.00 21.32 N
ATOM 1338 CA LEU B 76 16.425 6.817 -11.353 1.00 19.82 C
ATOM 1339 C LEU B 76 16.649 7.320 -9.936 1.00 21.74 C
ATOM 1340 O LEU B 76 16.450 6.575 -8.989 1.00 25.18 O
ATOM 1341 CB LEU B 76 14.993 7.156 -11.792 1.00 16.45 C
ATOM 1342 CG LEU B 76 14.382 6.549 -13.058 1.00 15.15 C
ATOM 1343 CD1 LEU B 76 13.076 7.198 -13.401 1.00 14.83 C
ATOM 1344 CD2 LEU B 76 15.338 6.668 -14.193 1.00 20.59 C
ATOM 1345 N VAL B 77 17.107 8.558 -9.784 1.00 23.03 N
ATOM 1346 CA VAL B 77 17.336 9.142 -8.468 1.00 17.63 C
ATOM 1347 C VAL B 77 16.729 10.513 -8.390 1.00 17.51 C
ATOM 1348 O VAL B 77 16.916 11.351 -9.290 1.00 16.69 O
ATOM 1349 CB VAL B 77 18.851 9.240 -8.117 1.00 18.16 C
ATOM 1350 CG1 VAL B 77 19.057 9.681 -6.632 1.00 20.02 C
ATOM 1351 CG2 VAL B 77 19.502 7.872 -8.406 1.00 16.66 C
ATOM 1352 N GLY B 78 15.998 10.766 -7.322 1.00 16.55 N
ATOM 1353 CA GLY B 78 15.156 11.944 -7.302 1.00 20.06 C
ATOM 1354 C GLY B 78 14.373 12.126 -6.028 1.00 21.31 C
ATOM 1355 O GLY B 78 14.470 11.288 -5.116 1.00 24.13 O
ATOM 1356 N PRO B 79 13.608 13.217 -5.905 1.00 19.47 N
ATOM 1357 CA PRO B 79 12.849 13.419 -4.678 1.00 21.78 C
ATOM 1358 C PRO B 79 11.546 12.599 -4.667 1.00 21.89 C
ATOM 1359 O PRO B 79 10.450 13.136 -4.797 1.00 22.16 O
ATOM 1360 CB PRO B 79 12.618 14.917 -4.650 1.00 17.28 C
ATOM 1361 CG PRO B 79 12.622 15.301 -6.052 1.00 20.54 C
ATOM 1362 CD PRO B 79 13.425 14.332 -6.838 1.00 20.64 C
ATOM 1363 N THR B 80 11.700 11.287 -4.552 1.00 24.38 N
ATOM 1364 CA THR B 80 10.598 10.358 -4.345 1.00 22.15 C
ATOM 1365 C THR B 80 10.363 10.182 -2.854 1.00 20.84 C
ATOM 1366 O THR B 80 11.280 10.380 -2.057 1.00 20.99 O
ATOM 1367 CB THR B 80 10.957 8.997 -4.990 1.00 21.20 C
ATOM 1368 OG1 THR B 80 9.956 8.019 -4.674 1.00 22.05 O
ATOM 1369 CG2 THR B 80 12.338 8.513 -4.534 1.00 13.16 C
ATOM 1370 N PRO B 81 9.102 10.022 -2.447 1.00 24.57 N
ATOM 1371 CA PRO B 81 8.823 9.810 -1.022 1.00 24.68 C
ATOM 1372 C PRO B 81 9.383 8.521 -0.445 1.00 26.51 C
ATOM 1373 O PRO B 81 9.832 8.537 0.708 1.00 32.43 O
ATOM 1374 CB PRO B 81 7.296 9.851 -0.914 1.00 22.89 C
ATOM 1375 CG PRO B 81 6.860 10.568 -2.215 1.00 24.08 C
ATOM 1376 CD PRO B 81 7.841 10.156 -3.227 1.00 21.46 C
ATOM 1377 N VAL B 82 9.383 7.430 -1.223 1.00 23.91 N
ATOM 1378 CA VAL B 82 9.929 6.125 -0.788 1.00 24.09 C
ATOM 1379 C VAL B 82 10.810 5.540 -1.867 1.00 21.54 C
ATOM 1380 O VAL B 82 10.668 5.866 -3.024 1.00 26.47 O
ATOM 1381 CB VAL B 82 8.802 5.092 -0.578 1.00 26.47 C
ATOM 1382 CG1 VAL B 82 8.160 5.260 0.819 1.00 26.39 C
ATOM 1383 CG2 VAL B 82 7.782 5.249 -1.684 1.00 24.12 C
ATOM 1384 N ASN B 83 11.718 4.645 -1.541 1.00 16.61 N
ATOM 1385 CA ASN B 83 12.458 3.965 -2.636 1.00 16.90 C
ATOM 1386 C ASN B 83 11.445 3.042 -3.282 1.00 19.55 C
ATOM 1387 O ASN B 83 10.690 2.376 -2.579 1.00 18.36 O
ATOM 1388 CB ASN B 83 13.630 3.131 -2.113 1.00 16.55 C
ATOM 1389 CG ASN B 83 14.694 3.975 -1.448 1.00 22.00 C
ATOM 1390 OD1 ASN B 83 15.183 4.939 -2.033 1.00 23.24 O
ATOM 1391 ND2 ASN B 83 15.027 3.651 -0.186 1.00 22.85 N
ATOM 1392 N ILE B 84 11.390 3.033 -4.610 1.00 17.31 N
ATOM 1393 CA ILE B 84 10.381 2.263 -5.356 1.00 13.51 C
ATOM 1394 C ILE B 84 11.108 1.337 -6.317 1.00 19.87 C ATOM 1395 O ILE B 84 11.895 1.805 -7.154 1.00 20.54 O
ATOM 1396 CB ILE B 84 9.506 3.189 -6.198 1.00 10.82 C
ATOM 1397 CG1 ILE B 84 8.623 4.022 -5.278 1.00 13.42 C
ATOM 1398 CG2 ILE B 84 8.750 2.386 -7.259 1.00 11.48 C
ATOM 1399 CD1 ILE B 84 8.101 5.305 -5.888 1.00 20.08 C
ATOM 1400 N ILE B 85 10.845 0.037 -6.234 1.00 19.47 N
ATOM 1401 CA ILE B 85 11.332 -0.885 -7.255 1.00 19.69 C
ATOM 1402 C ILE B 85 10.197 -1.121 -8.247 1.00 22.78 C
ATOM 1403 O ILE B 85 9.160 -1.669 -7.858 1.00 24.74 O
ATOM 1404 CB ILE B 85 11.710 -2.276 -6.635 1.00 18.51 C
ATOM 1405 CG1 ILE B 85 12.679 -2.103 -5.442 1.00 19.44 C
ATOM 1406 CG2 ILE B 85 12.233 -3.217 -7.725 1.00 14.76 C
ATOM 1407 CD1 ILE B 85 14.006 -1.362 -5.728 1.00 22.90 C
ATOM 1408 N GLY B 86 10.396 -0.770 -9.519 1.00 19.72 N
ATOM 1409 CA GLY B 86 9.316 -0.818 -10.488 1.00 14.65 C
ATOM 1410 C GLY B 86 9.538 -1.906 -11.493 1.00 13.18 C
ATOM 1411 O GLY B 86 10.438 -2.696 -11.363 1.00 13.07 O
ATOM 1412 N ARG B 87 8.707 -1.951 -12.516 1.00 11.71 N
ATOM 1413 CA ARG B 87 8.687 -3.099 -13.428 1.00 14.23 C
ATOM 1414 C ARG B 87 9.981 -3.461 -14.162 1.00 19.73 C
ATOM 1415 O ARG B 87 10.177 -4.623 -14.507 1.00 17.28 O
ATOM 1416 CB ARG B 87 7.526 -2.971 -14.414 1.00 15.02 C
ATOM 1417 CG ARG B 87 6.172 -3.102 -13.759 1.00 8.76 C
ATOM 1418 CD ARG B 87 5.086 -3.117 -14.812 1.00 16.02 C
ATOM 1419 NE ARG B 87 5.037 -1.904 -15.646 1.00 21.61 N
ATOM 1420 CZ ARG B 87 5.444 -1.833 -16.917 1.00 21.15 C
ATOM 1421 NH1 ARG B 87 6.050 -2.848 -17.498 1.00 18.57 N
ATOM 1422 NH2 ARG B 87 5.202 -0.740 -17.630 1.00 26.79 N
ATOM 1423 N ASN B 88 10.863 -2.489 -14.402 1.00 18.56 N
ATOM 1424 CA ASN B 88 12.055 -2.785 -15.187 1.00 17.41 C
ATOM 1425 C ASN B 88 12.952 -3.741 -14.436 1.00 19.59 C
ATOM 1426 O ASN B 88 13.613 -4.591 -15.044 1.00 20.40 O
ATOM 1427 CB ASN B 88 12.835 -1.517 -15.534 1.00 19.90 C
ATOM 1428 CG ASN B 88 13.350 -0.764 -14.324 1.00 15.28 C
ATOM 1429 OD1 ASN B 88 12.603 -0.470 -13.399 1.00 22.61 O
ATOM 1430 ND2 ASN B 88 14.640 -0.461 -14.321 1.00 16.65 N
ATOM 1431 N LEU B 89 12.940 -3.651 -13.105 1.00 20.98 N
ATOM 1432 CA LEU B 89 13.744 -4.569 -12.287 1.00 21.49 C
ATOM 1433 C LEU B 89 12.941 -5.747 -11.720 1.00 20.99 C
ATOM 1434 O LEU B 89 13.513 -6.730 -11.315 1.00 21.25 O
ATOM 1435 CB LEU B 89 14.411 -3.799 -11.118 1.00 20.00 C
ATOM 1436 CG LEU B 89 15.543 -2.820 -11.471 1.00 17.87 C
ATOM 1437 CD1 LEU B 89 16.194 -2.306 -10.201 1.00 20.88 C
ATOM 1438 CD2 LEU B 89 16.574 -3.520 -12.356 1.00 17.17 C
ATOM 1439 N LEU B 90 11.626 -5.618 -11.667 1.00 20.01 N
ATOM 1440 CA LEU B 90 10.792 -6.710 -11.159 1.00 22.17 C
ATOM 1441 C LEU B 90 10.827 -7.864 -12.157 1.00 19.95 C
ATOM 1442 O LEU B 90 10.927 -9.024 -11.773 1.00 21.08 O
ATOM 1443 CB LEU B 90 9.344 -6.226 -10.894 1.00 17.71 C
ATOM 1444 CG LEU B 90 9.086 -5.303 -9.689 1.00 16.96 C
ATOM 1445 CD1 LEU B 90 7.626 -4.857 -9.618 1.00 11.88 C
ATOM 1446 CD2 LEU B 90 9.457 -6.025 -8.438 1.00 18.70 C
ATOM 1447 N THR B 91 10.822 -7.533 -13.442 1.00 23.70 N
ATOM 1448 CA THR B 91 10.874 -8.537 -14.499 1.00 23.96 C
ATOM 1449 C THR B 91 12.184 -9.284 -14.445 1.00 24.81 C
ATOM 1450 O THR B 91 12.219 -10.485 -14.665 1.00 26.72 O
ATOM 1451 CB THR B 91 10.702 -7.901 -15.890 1.00 21.26 C
ATOM 1452 OG1 THR B 91 11.511 -6.729 -15.955 1.00 25.49 O
ATOM 1453 CG2 THR B 91 9.280 -7.489 -16.139 1.00 17.64 C
ATOM 1454 N GLN B 92 13.247 -8.580 -14.079 1.00 25.95 N
ATOM 1455 CA GLN B 92 14.586 -9.199 -14.000 1.00 27.31 C
ATOM 1456 C GLN B 92 14.660 -10.290 -12.939 1.00 27.97 C
ATOM 1457 O GLN B 92 15.220 -11.369 -13.207 1.00 30.31 O
ATOM 1458 CB GLN B 92 15.682 -8.161 -13.717 1.00 24.09 C
ATOM 1459 CG GLN B 92 16.082 -7.348 -14.919 1.00 25.97 C
ATOM 1460 CD GLN B 92 17.487 -6.720 -14.774 1.00 27.56 C
ATOM 1461 OE1 GLN B 92 18.375 -7.246 -14.091 1.00 26.23 O
ATOM 1462 NE2 GLN B 92 17.695 -5.633 -15.474 1.00 27.50 N
ATOM 1463 N ILE B 93 14.088 -10.017 -11.758 1.00 28.73 N
ATOM 1464 CA ILE B 93 14.130 -10.960 -10.642 1.00 28.11 C
ATOM 1465 C ILE B 93 12.950 -11.950 -10.665 1.00 30.61 C
ATOM 1466 O ILE B 93 12.725 -12.688 -9.712 1.00 32.40 O
ATOM 1467 CB ILE B 93 14.193 -10.222 -9.282 1.00 23.33 C
ATOM 1468 CG1 ILE B 93 12.884 -9.498 -9.004 1.00 25.74 C
ATOM 1469 CG2 ILE B 93 15.322 -9.243 -9.259 1.00 21.29 C
ATOM 1470 CD1 ILE B 93 12.802 -8.984 -7.603 1.00 27.65 C
ATOM 1471 N GLY B 94 12.212 -11.959 -11.764 1.00 30.93 N
ATOM 1472 CA GLY B 94 11.225 -12.998 -11.985 1.00 31.94 C
ATOM 1473 C GLY B 94 9.899 -12.866 -11.266 1.00 30.20 C
ATOM 1474 O GLY B 94 9.158 -13.823 -11.139 1.00 31.24 O
ATOM 1475 N CYS B 95 9.486 -11.640 -11.041 1.00 27.82 N
ATOM 1476 CA CYS B 95 8.374 -11.386 -10.172 1.00 26.76 C
ATOM 1477 C CYS B 95 7.060 -11.354 -10.939 1.00 27.20 C
ATOM 1478 O CYS B 95 6.935 -10.642 -11.938 1.00 27.85 O
ATOM 1479 CB CYS B 95 8.646 -10.072 -9.489 1.00 27.09 C
ATOM 1480 SG CYS B 95 7.595 -9.703 -8.145 1.00 36.34 S
ATOM 1481 N THR B 96 6.102 -12.162 -10.484 1.00 26.04 N
ATOM 1482 CA THR B 96 4.720 -12.160 -10.993 1.00 25.60 C
ATOM 1483 C THR B 96 3.657 -11.799 -9.938 1.00 24.26 C
ATOM 1484 O THR B 96 3.881 -11.873 -8.722 1.00 23.28 O
ATOM 1485 CB THR B 96 4.301 -13.557 -11.549 1.00 27.82 C
ATOM 1486 OG1 THR B 96 4.618 -14.563 -10.563 1.00 31.12 O
ATOM 1487 CG2 THR B 96 5.025 -13.869 -12.846 1.00 24.73 C
ATOM 1488 N LEU B 97 2.492 -11.400 -10.436 1.00 24.54 N
ATOM 1489 CA LEU B 97 1.280 -11.164 -9.631 1.00 27.92 C
ATOM 1490 C LEU B 97 0.330 -12.346 -9.831 1.00 30.25 C
ATOM 1491 O LEU B 97 0.063 -12.760 -10.970 1.00 29.52 O
ATOM 1492 CB LEU B 97 0.551 -9.905 -10.117 1.00 27.18 C
ATOM 1493 CG LEU B 97 0.800 -8.522 -9.538 1.00 22.23 C
ATOM 1494 CD1 LEU B 97 -0.104 -7.560 -10.209 1.00 23.52 C
ATOM 1495 CD2 LEU B 97 0.511 -8.532 -8.079 1.00 20.87 C
ATOM 1496 N ASN B 98 -0.196 -12.870 -8.732 1.00 32.20 N
ATOM 1497 CA ASN B 98 -0.942 -14.118 -8.789 1.00 34.86 C
ATOM 1498 C ASN B 98 -2.258 -13.966 -8.039 1.00 34.26 C
ATOM 1499 O ASN B 98 -2.282 -13.340 -6.992 1.00 36.18 O
ATOM 1500 CB ASN B 98 -0.095 -15.258 -8.204 1.00 31.24 C
ATOM 1501 CG ASN B 98 1.159 -15.557 -9.022 1.00 33.93 C
ATOM 1502 OD1 ASN B 98 1.089 -16.202 -10.072 1.00 37.15 O
ATOM 1503 ND2 ASN B 98 2.302 -15.045 -8.578 1.00 33.06 N
ATOM 1504 N PHE B 99 -3.339 -14.515 -8.595 1.00 36.76 N
ATOM 1505 CA PHE B 99 -4.605 -14.713 -7.862 1.00 36.49 C
ATOM 1506 C PHE B 99 -5.529 -15.751 -8.510 1.00 35.50 C
ATOM 1507 O PHE B 99 -5.492 -15.900 -9.771 1.00 37.49 O
ATOM 1508 CB PHE B 99 -5.376 -13.400 -7.676 1.00 34.88 C
ATOM 1509 CG PHE B 99 -5.718 -12.704 -8.948 1.00 36.75 C
ATOM 1510 CD1 PHE B 99 -4.748 -12.012 -9.649 1.00 37.04 C
ATOM 1511 CD2 PHE B 99 -7.034 -12.625 -9.373 1.00 38.13 C
ATOM 1512 CE1 PHE B 99 -5.069 -11.246 -10.739 1.00 37.02 C
ATOM 1513 CE2 PHE B 99 -7.379 -11.863 -10.478 1.00 37.11 C
ATOM 1514 CZ PHE B 99 -6.401 -11.169 -11.159 1.00 36.24 C
HETATM 1560 O HOH W 301 26.215 4.955 -14.294 1.00 63.94 O
HETATM 1561 O HOH W 303 7.924 6.974 -16.699 1.00 73.81 O
HETATM 1562 O HOH W 304 24.709 6.077 -16.624 1.00 42.37 O
HETATM 1563 O HOH W 305 -20.981 -7.100 -9.308 1.00 63.07 O
HETATM 1564 O HOH W 306 2.854 -0.667 -14.344 1.00 51.24 O
HETATM 1565 O HOH W 307 -7.659 12.680 -14.694 1.00 63.34 O
HETATM 1566 O HOH W 308 1.916 8.391 -7.781 1.00 18.18 O
HETATM 1567 O HOH W 309 2.935 -1.342 -20.886 1.00 66.96 O
HETATM 1568 O HOH W 312 26.482 11.204 -11.019 1.00 53.13 O
HETATM 1569 O HOH W 313 2.736 2.196 -14.690 1.00 47.68 O
HETATM 1570 O HOH W 314 -2.469 -10.236 -0.401 1.00 36.09 O
HETATM 1571 O HOH W 315 -10.654 11.777 -14.142 1.00 64.67 O
HETATM 1572 O HOH W 316 14.055 2.978 -16.504 1.00 65.44 O
HETATM 1573 O HOH W 317 21.987 -4.992 -17.505 1.00 38.53 O
HETATM 1574 O HOH W 318 -3.980 -14.034 2.622 1.00 32.25 O
HETATM 1575 O HOH W 319 9.764 3.971 -18.856 1.00 61.86 O
HETATM 1576 O HOH W 321 14.474 2.609 -13.759 1.00 22.69 O
HETATM 1577 O HOH W 323 14.641 -13.584 -14.756 1.00 59.93 O
HETATM 1578 O HOH W 324 1.804 -0.107 -0.838 1.00 21.55 O
HETATM 1579 O HOH W 325 -4.598 -11.598 0.445 1.00 26.65 O
HETATM 1580 O HOH W 326 7.236 -10.439 -14.631 1.00 33.99 O
HETATM 1581 O HOH W 327 -20.166 8.818 -13.420 1.00 60.45 O
HETATM 1582 O HOH W 328 -16.984 8.416 3.396 1.00 25.82 O
HETATM 1583 O HOH W 329 -14.115 -8.110 0.029 1.00 32.52 O
HETATM 1584 O HOH W 330 -19.884 -4.200 -10.180 1.00 41.02 O
HETATM 1585 O HOH W 331 -13.497 -10.829 -1.251 1.00 41.93 O
HETATM 1586 O HOH W 332 0.279 4.496 -1.358 1.00 27.94 O
HETATM 1587 O HOH W 333 1.019 -8.522 4.227 1.00 79.22 O
HETATM 1588 O HOH W 334 20.789 0.237 -17.448 1.00 31.58 O
HETATM 1589 O HOH W 335 -2.964 13.961 -10.618 1.00 51.87 O
HETATM 1590 O HOH W 338 3.894 -7.109 2.444 1.00 47.41 O
HETATM 1591 O HOH W 339 25.314 -1.382 -5.945 1.00 46.59 O
HETATM 1592 O HOH W 340 15.425 12.560 -1.872 1.00 48.25 O
HETATM 1593 O HOH W 341 3.148 7.797 -16.664 1.00 66.74 O
HETATM 1594 O HOH W 342 -2.134 2.660 -18.922 1.00 65.58 O
HETATM 1595 O HOH W 344 -4.472 -3.264 2.731 1.00 67.74 O
HETATM 1596 O HOH W 345 -4.628 -0.543 2.519 1.00 43.98 O
HETATM 1597 O HOH W 346 18.349 6.175 -1.847 1.00 48.73 O
HETATM 1598 O HOH W 347 17.777 -1.174 6.003 1.00 54.68 O
HETATM 1599 O HOH W 348 13.095 11.903 -0.404 1.00 37.86 O
HETATM 1600 O HOH W 349 12.067 12.759 -19.953 1.00 68.44 O
HETATM 1601 O HOH W 350 2.101 -1.158 5.702 1.00 42.81 O
HETATM 1602 O HOH W 354 14.238 -8.711 1.873 1.00 60.62 O
HETATM 1603 O HOH W 355 12.780 -15.471 -8.652 1.00 61.36 O
HETATM 1604 O HOH W 356 15.589 -4.496 -17.046 1.00 35.03 O
HETATM 1605 O HOH W 357 -6.305 18.257 -6.105 1.00 37.23 O
HETATM 1606 O HOH W 358 24.541 13.778 -22.127 1.00 62.75 O
HETATM 1607 O HOH W 359 -1.309 -1.642 5.487 1.00 71.64 O
HETATM 1608 O HOH W 360 9.604 -4.079 -17.725 1.00 57.53 O
HETATM 1609 O HOH W 362 13.736 18.732 -4.869 1.00 50.97 O
HETATM 1610 O HOH W 364 7.657 -18.069 -8.456 1.00 73.30 O
HETATM 1611 O HOH W 366 7.189 -15.830 2.272 1.00 62.30 O
HETATM 1612 O HOH W 367 9.738 -0.915 -17.660 1.00 65.69 O
HETATM 1613 O HOH W 369 24.906 11.614 -19.909 1.00 61.76 O
HETATM 1614 O HOH W 370 0.722 12.792 -14.017 1.00 67.21 O
HETATM 1615 O HOH W 373 -18.472 -12.025 -13.817 1.00 69.15 O
HETATM 1616 O HOH W 374 11.913 3.880 1.467 1.00 61.89 O
HETATM 1617 O HOH W 375 17.221 17.033 -11.131 1.00 74.72 O
HETATM 1618 O HOH W 376 24.918 -4.929 -4.443 1.00 48.75 O
HETATM 1619 O HOH W 377 12.538 -5.640 -18.415 1.00 60.17 O
HETATM 1620 O HOH W 379 9.873 2.863 3.303 1.00 43.92 O
HETATM 1621 O HOH W 381 22.458 -13.921 -7.087 1.00 70.16 O
HETATM 1622 O HOH W 383 31.541 13.800 -21.431 1.00 22.10 O
HETATM 1623 O HOH W 384 -7.053 20.237 -4.247 1.00 70.78 O
HETATM 1624 O HOH W 386 3.450 -8.949 -19.289 1.00 21.93 O
HETATM 1625 O HOH W 387 18.794 -7.936 -0.703 1.00 27.84 O
HETATM 1626 O HOH W 388 0.605 -20.682 -1.287 1.00 65.78 O
HETATM 1627 O HOH W 389 0.457 -12.085 -18.463 1.00 46.57 O
HETATM 1628 O HOH W 390 8.208 1.344 -19.029 1.00 67.04 O
HETATM 1629 O HOH W 391 -15.270 -7.885 -14.082 1.00 63.81 O
HETATM 1630 O HOH W 392 7.212 2.648 3.347 1.00 53.99 O
HETATM 1631 O HOH W 393 26.697 -0.114 -9.623 1.00 54.21 O
HETATM 1632 O HOH W 394 -1.972 -15.925 -5.085 1.00 47.08 O
HETATM 1633 O HOH W 395 17.114 14.776 -5.772 1.00 62.03 O
HETATM 1634 O HOH W 400 5.436 -3.332 5.390 1.00 63.64 O
HETATM 1635 O HOH W 401 7.691 14.344 -4.543 1.00 63.52 O
HETATM 1636 O HOH W 405 1.355 10.856 -15.876 1.00 42.47 O
HETATM 1637 O HOH W 406 -9.400 3.076 -1.565 1.00 31.73 O
HETATM 1638 O HOH W 408 -7.119 3.292 -16.497 1.00 49.24 O
HETATM 1639 O HOH W 410 17.538 3.502 -21.327 1.00 65.50 O
HETATM 1640 O HOH W 414 20.857 17.844 -10.686 1.00 65.50 O
HETATM 1641 O HOH W 416 -12.491 6.503 -15.923 1.00 65.44 O
HETATM 1642 O HOH W 419 28.389 2.268 -5.824 1.00 73.55 O
HETATM 1643 O HOH W 420 -4.688 16.688 -11.710 1.00 75.86 O
HETATM 1644 O HOH W 422 -4.273 13.619 -13.888 1.00 67.42 O
HETATM 1645 O HOH W 425 29.757 -2.540 2.932 1.00 63.48 O
HETATM 1646 O HOH W 430 2.037 -16.060 1.862 1.00 52.97 O
HETATM 1647 O HOH W 436 12.376 -15.722 -14.436 1.00 72.75 O
HETATM 1648 O HOH W 439 -1.311 -7.487 -17.514 1.00 57.13 O
HETATM 1649 O HOH W 443 29.149 5.087 0.422 1.00 75.75 O
HETATM 1650 O HOH W 444 5.302 6.735 3.317 1.00 38.25 O
HETATM 1651 O HOH W 457 -5.117 3.179 -18.894 1.00 60.42 O
HETATM 1652 O HOH W 461 -1.332 -11.741 7.510 1.00 68.43 O
HETATM 1653 O HOH W 468 -0.798 9.904 1.668 1.00 75.52 O
HETATM 1654 O HOH W 469 15.168 3.050 3.291 1.00 54.20 O
HETATM 1655 O HOH W 471 22.347 -1.425 8.654 1.00 63.96 O
HETATM 1656 O HOH W 500 16.388 -1.435 -16.681 1.00 23.98 O
HETATM 1657 O HOH W 501 0.068 7.491 -0.548 1.00 38.21 O
HETATM 1658 O HOH W 502 16.734 11.606 0.554 1.00 52.93 O
HETATM 1659 O HOH W 503 -6.111 -21.802 -15.211 1.00 50.02 O
HETATM 1660 O HOH W 505 7.278 -15.748 -10.412 1.00 58.06 O
HETATM 1661 O HOH W 506 3.585 18.644 -11.942 1.00 64.79 O
HETATM 1662 O HOH W 509 32.972 6.055 -13.904 1.00 55.54 O
HETATM 1663 O HOH W 510 -12.060 -17.722 -1.926 1.00 53.78 O
HETATM 1664 O HOH W 514 10.183 1.250 -21.454 1.00 61.69 O
HETATM 1665 O HOH W 515 19.275 -19.666 7.773 1.00 69.12 O
HETATM 1666 O HOH W 517 21.875 -12.895 -11.582 1.00 78.93 O
HETATM 1667 O HOH W 524 1.111 -14.745 -18.465 1.00 61.00 O
HETATM 1668 O HOH W 525 31.564 10.818 -21.127 1.00 71.37 O
HETATM 1669 O HOH W 526 9.278 -18.783 5.497 1.00 78.14 O
HETATM 1670 O HOH W 529 -6.835 -17.919 -13.423 1.00 73.78 O
HETATM 1671 O HOH W 531 5.103 14.788 -20.478 1.00 54.05 O
HETATM 1672 O HOH W 532 -5.200 -15.204 -0.312 1.00 72.78 O
HETATM 1673 O HOH W 548 16.078 14.147 1.848 1.00 58.40 O
HETATM 1674 O HOH W 549 31.469 2.300 -11.221 1.00 58.78 O
HETATM 1675 O HOH W 553 -4.693 2.591 3.333 1.00 61.39 O
HETATM 1676 O HOH W 556 -2.351 -17.301 -1.014 1.00 68.40 O
HETATM 1677 O HOH W 561 -18.929 6.155 5.852 1.00 49.60 O
HETATM 1678 O HOH W 564 33.365 7.244 -2.413 1.00 64.90 O
HETATM 1679 O HOH W 567 -4.375 -2.954 -22.062 1.00 71.88 O
HETATM 1680 O HOH W 568 2.145 7.025 4.432 1.00 67.95 O
HETATM 1681 O HOH W 572 2.055 4.632 -21.035 1.00 66.74 O
HETATM 1682 O HOH W 575 4.213 6.217 -20.259 1.00 70.97 O
HETATM 1683 O HOH W 591 3.775 -12.316 2.799 1.00 53.68 O
HETATM 1684 O HOH W 595 3.706 -2.387 9.512 1.00 49.41 O
HETATM 1685 O HOH W 613 26.232 20.556 -30.665 1.00 64.49 O
HETATM 1686 O HOH W 617 15.019 -4.826 -19.900 1.00 54.09 O
TER
```
</p>
</details>These molecules come from the Autodock Vina tutorial
We hope you enjoyed this tutorial! Should you have any question(s) or if you wish to use our platform for heavier computations (we can provide top of the art resources on demand), don’t hesitate to contact us.
