This tutorial was generated from a Jupyter notebook. You can download the notebook here.
# We just need the os module
import os
Reading data in from files and then writing your results out again is one of the most common practices in scientific computing. In this tutorial, we will learn about some of Python's File I/O capabilities. We will use a PDB file as an example. The PDB file contains the crystal structure for the tetramerization domain of p53. On my machine, it is stored in ../data/1OLG.pdb. Note that 1OLG is its unique Protein Databank identifier.
To open a file, we use the built-in open() function. We'll invoke this function by example and look at its output.
# Open file
f = open('../data/1OLG.pdb', 'r')
# What is f?
f
<_io.TextIOWrapper name='../data/1OLG.pdb' mode='r' encoding='UTF-8'>
So, f is some weird looking type. It is a Python file object, which has methods and attributes, just like any other object. We'll explore those in a moment, but first, let's look at how we opened the file. The first argument to open() is a string that has the name of the file, with the full path if necessary. The second argument is a string that says what we will be doing with the file. I.e., are we reading or writing to the file? The possible strings for this second argument are
| string | meaning |
|---|---|
'r' |
open a text file for reading |
'w' |
create and open a text file for writing |
'a' |
append an existing text file |
'r+' |
open a text file for reading and writing |
append 'b' to any of the above |
same as above, except for binary files |
We will mostly be working with text files in the bootcamp, so the first three are the most useful. A big warning, though....
Now, let's look at the file object. You can type f. followed by tab to see its attributes and methods. We will focus on the methods f.read() and f.readlines(). What do they do?
| method | task |
|---|---|
f.read() |
Read the entire contents of the file into a string |
f.readlines() |
Read the entire file into a list with each item being a string representing a line |
Try using the first method to get a single string with the entire contents of the file.
# Read file into string
f_str = f.read()
# Let's look at the first 100 characters
f_str[:1000]
'HEADER ANTI-ONCOGENE 13-JUN-94 1OLG \nTITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION \nTITLE 2 DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR \nCOMPND MOL_ID: 1; \nCOMPND 2 MOLECULE: TUMOR SUPPRESSOR P53 (OLIGOMERIZATION DOMAIN); \nCOMPND 3 CHAIN: A, B, C, D; \nCOMPND 4 ENGINEERED: YES \nSOURCE MOL_ID: 1; \nSOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; \nSOURCE 3 ORGANISM_COMMON: HUMAN; \nSOURCE 4 ORGANISM_TAXID: 9606 \nKEYWDS ANTI-ONCOGENE \nEXPDTA SOLUTION NMR '
We see lots of \n, which signifies a new line. The backslash is known as an escape character, meaning that the n after it does no signify the letter n, but that \n together means a new line.
Now, let's try reading it in as a list.
# Read contents of the file in as a list
f_list = f.readlines()
# Look at the list
f_list
[]
Wait a minute! I got an empty list! That is because you can only scan through a file object once without "rewinding." To rewind, we use the f.seek() method. This method takes an argument which byte you want to go to as you are reading the file. To go to the beginning, we do f.seek(0). Let's try again.
# Go to the beginning of the file
f.seek(0)
# Read the contents in as a list
f_list = f.readlines()
# Check out the first 10 entries
f_list[:10]
['HEADER ANTI-ONCOGENE 13-JUN-94 1OLG \n', 'TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION \n', 'TITLE 2 DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR \n', 'COMPND MOL_ID: 1; \n', 'COMPND 2 MOLECULE: TUMOR SUPPRESSOR P53 (OLIGOMERIZATION DOMAIN); \n', 'COMPND 3 CHAIN: A, B, C, D; \n', 'COMPND 4 ENGINEERED: YES \n', 'SOURCE MOL_ID: 1; \n', 'SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; \n', 'SOURCE 3 ORGANISM_COMMON: HUMAN; \n']
We see that each entry is a line, including the newline character. To look at lines in files, the rstrip() method for strings can come it handy. It strips all whitespace, including newlines, from the end of a string.
f_list[0].rstrip()
'HEADER ANTI-ONCOGENE 13-JUN-94 1OLG'
Much nicer!
Now, for something very important. Whenever we open a file, we must close it when we are done with it. This is important because unexpected things can happen when the file is still open. We can check to see if it is closed.
f.closed
False
Ok! Better close it. We just use the f.close() method.
f.close()
# Is it closed?
f.closed
True
Python has a wonderful keyword, with. This keyword enables context management. Upon entry into a with block, variables have certain meaning. Upon exit, certain operations take place. For file objects created by opening them, the file is automatically closed upon exit, even if there is an error. This is important. If your program raises an exception before you have a chance to close the file, it won't get closed and you could be in trouble.
Let's see how it works.
with open('../data/1OLG.pdb', 'r') as f:
f_lines = f.readlines()
print('In the with block, is the file closed?', f.closed)
print('Out of the with block, is the file closed?', f.closed)
# Check the first three lines
f_lines[:3]
In the with block, is the file closed? False Out of the with block, is the file closed? True
['HEADER ANTI-ONCOGENE 13-JUN-94 1OLG \n', 'TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION \n', 'TITLE 2 DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR \n']
The syntax is almost like English. We do what is written in the with block with an open file object that we will name f.
The results look good! In general, you should use context management when working with files. It keeps you out of trouble with open files. And it is much cleaner. This is worth making official:
What if we do not want to read the entire file into a list? For example, if a file is several gigabytes, we do not want to spend all of our RAM storing a list. Instead, we can read it line-by-line. Conveniently, the file object can be used as an iterator.
# Print the first ten lines of the file
with open('../data/1OLG.pdb', 'r') as f:
counter = 0
for line in f:
print(line.rstrip())
counter += 1
if counter >= 10:
break
HEADER ANTI-ONCOGENE 13-JUN-94 1OLG TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION TITLE 2 DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: TUMOR SUPPRESSOR P53 (OLIGOMERIZATION DOMAIN); COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN;
Alternatively, we can use the method f.readline() to read a single line in the file and return it as a string.
# Print the first ten lines of the file
with open('../data/1OLG.pdb', 'r') as f:
counter = 0
while counter < 10:
print(f.readline().rstrip())
counter += 1
HEADER ANTI-ONCOGENE 13-JUN-94 1OLG TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF THE OLIGOMERIZATION TITLE 2 DOMAIN OF P53 BY MULTI-DIMENSIONAL NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: TUMOR SUPPRESSOR P53 (OLIGOMERIZATION DOMAIN); COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN;
Writing to a file has similar syntax. We already saw how to open a file for writing. Again, context management is useful. However, before trying to open a file, we should check to make sure a file of the same name does not exist before opening it. The os.path module, which we will visit when we learn about scripting later in the bootcamp, is useful. The function os.path.isfile() function checks to see if a file exists.
os.path.isfile('../data/1OLG.pdb')
True
So, now we're ready to open a file to write.
if os.path.isfile('mastery.txt'):
raise RuntimeError('File mastery.txt already exists.')
with open('mastery.txt', 'w') as f:
f.write('This is my file.')
f.write('There are many like it, but this one is mine.')
f.write('I must master my file like I must master my life.')
Note that we can use the f.write() method to write strings to a file. Let's look at the file contents.
!cat mastery.txt
This is my file.There are many like it, but this one is mine.I must master my file like I must master my life.
Ah! There are no newlines! When writing to a file, unlike when you use the print() function, you must include the newline characters. Let's try again, intentionally obliterating our first attempt.
with open('mastery.txt', 'w') as f:
f.write('This is my file.\n')
f.write('There are many like it, but this one is mine.\n')
f.write('I must master my file like I must master my life.\n')
!cat mastery.txt
This is my file. There are many like it, but this one is mine. I must master my file like I must master my life.
That's better. Note also that f.write() only takes strings as arguments. You cannot pass numbers. They must be converted to strings first.
# This will result in an exception
with open('gimme_phi.txt', 'w') as f:
f.write('The golden ratio is φ = ')
f.write(1.61803398875)
--------------------------------------------------------------------------- TypeError Traceback (most recent call last) <ipython-input-70-48bf6cb2f626> in <module>() 2 with open('gimme_phi.txt', 'w') as f: 3 f.write('The golden ratio is φ = ') ----> 4 f.write(1.61803398875) TypeError: must be str, not float
Yup. It must be a string. Let's try again.
with open('gimme_phi.txt', 'w') as f:
f.write('The golden ratio is φ = ')
f.write('{phi:.8f}'.format(phi=1.61803398875))
!cat gimme_phi.txt
The golden ratio is φ = 1.61803399
That works!
As an example on how to do file I/O, we will take the PDB file and extract only the ATOM records for the first chain of the tetramer and write only those entries to a new file.
It is useful to know that according to the PDB format specification, column 21 in the ATOM entry gives the ID of the chain.
with open('../data/1OLG.pdb', 'r') as f, open('atoms_chain_A.txt', 'w') as f_out:
# Get all the lines
lines = f.readlines()
# Put the ATOM lines from chain A in new file
for line in lines:
if len(line) > 21 and line[:4] == 'ATOM' and line[21] == 'A':
f_out.write(line)
Let's see how we did!
!cat atoms_chain_A.txt
ATOM 1 N LYS A 319 18.634 25.437 10.685 1.00 4.81 N ATOM 2 CA LYS A 319 17.984 25.295 9.354 1.00 4.32 C ATOM 3 C LYS A 319 18.160 23.876 8.818 1.00 3.74 C ATOM 4 O LYS A 319 19.259 23.441 8.537 1.00 3.67 O ATOM 5 CB LYS A 319 18.609 26.282 8.371 1.00 4.67 C ATOM 6 CG LYS A 319 18.003 26.056 6.986 1.00 5.15 C ATOM 7 CD LYS A 319 16.476 26.057 7.091 1.00 5.90 C ATOM 8 CE LYS A 319 16.014 27.341 7.784 1.00 6.51 C ATOM 9 NZ LYS A 319 16.388 28.518 6.952 1.00 7.33 N ATOM 10 H1 LYS A 319 18.414 24.606 11.281 1.00 5.09 H ATOM 11 H2 LYS A 319 19.658 25.516 10.555 1.00 5.18 H ATOM 12 H3 LYS A 319 18.282 26.296 11.150 1.00 4.96 H ATOM 13 HA LYS A 319 16.934 25.509 9.452 1.00 4.66 H ATOM 14 HB2 LYS A 319 18.399 27.288 8.697 1.00 4.96 H ATOM 15 HB3 LYS A 319 19.679 26.132 8.326 1.00 4.81 H ATOM 16 HG2 LYS A 319 18.320 26.846 6.324 1.00 5.22 H ATOM 17 HG3 LYS A 319 18.334 25.104 6.598 1.00 5.32 H ATOM 18 HD2 LYS A 319 16.046 26.005 6.102 1.00 6.19 H ATOM 19 HD3 LYS A 319 16.154 25.204 7.670 1.00 6.08 H ATOM 20 HE2 LYS A 319 14.941 27.316 7.911 1.00 6.70 H ATOM 21 HE3 LYS A 319 16.488 27.419 8.752 1.00 6.49 H ATOM 22 HZ1 LYS A 319 17.395 28.460 6.701 1.00 7.60 H ATOM 23 HZ2 LYS A 319 15.816 28.526 6.085 1.00 7.57 H ATOM 24 HZ3 LYS A 319 16.214 29.392 7.491 1.00 7.66 H ATOM 25 N LYS A 320 17.063 23.177 8.658 1.00 3.85 N ATOM 26 CA LYS A 320 17.085 21.778 8.123 1.00 3.82 C ATOM 27 C LYS A 320 17.727 20.814 9.132 1.00 3.38 C ATOM 28 O LYS A 320 17.048 20.031 9.762 1.00 3.69 O ATOM 29 CB LYS A 320 17.844 21.740 6.797 1.00 4.21 C ATOM 30 CG LYS A 320 16.917 22.223 5.676 1.00 5.00 C ATOM 31 CD LYS A 320 17.701 22.331 4.365 1.00 5.81 C ATOM 32 CE LYS A 320 18.474 23.652 4.334 1.00 6.54 C ATOM 33 NZ LYS A 320 17.555 24.758 3.943 1.00 7.21 N ATOM 34 H LYS A 320 16.203 23.590 8.879 1.00 4.30 H ATOM 35 HA LYS A 320 16.067 21.461 7.949 1.00 4.36 H ATOM 36 HB2 LYS A 320 18.707 22.383 6.855 1.00 4.26 H ATOM 37 HB3 LYS A 320 18.159 20.728 6.592 1.00 4.38 H ATOM 38 HG2 LYS A 320 16.104 21.520 5.553 1.00 5.26 H ATOM 39 HG3 LYS A 320 16.516 23.192 5.934 1.00 5.13 H ATOM 40 HD2 LYS A 320 18.394 21.505 4.293 1.00 5.89 H ATOM 41 HD3 LYS A 320 17.015 22.299 3.532 1.00 6.15 H ATOM 42 HE2 LYS A 320 18.883 23.852 5.313 1.00 6.83 H ATOM 43 HE3 LYS A 320 19.278 23.581 3.617 1.00 6.61 H ATOM 44 HZ1 LYS A 320 16.599 24.558 4.300 1.00 7.43 H ATOM 45 HZ2 LYS A 320 17.897 25.653 4.348 1.00 7.46 H ATOM 46 HZ3 LYS A 320 17.529 24.838 2.906 1.00 7.51 H ATOM 47 N LYS A 321 19.020 20.847 9.285 1.00 3.05 N ATOM 48 CA LYS A 321 19.688 19.926 10.251 1.00 2.81 C ATOM 49 C LYS A 321 19.570 18.479 9.751 1.00 2.50 C ATOM 50 O LYS A 321 18.512 18.062 9.322 1.00 2.62 O ATOM 51 CB LYS A 321 19.029 20.015 11.637 1.00 3.34 C ATOM 52 CG LYS A 321 18.339 21.373 11.842 1.00 4.02 C ATOM 53 CD LYS A 321 16.841 21.152 12.059 1.00 4.77 C ATOM 54 CE LYS A 321 16.501 21.307 13.544 1.00 5.69 C ATOM 55 NZ LYS A 321 17.082 20.148 14.319 1.00 6.47 N ATOM 56 H LYS A 321 19.556 21.470 8.761 1.00 3.26 H ATOM 57 HA LYS A 321 20.727 20.200 10.333 1.00 3.16 H ATOM 58 HB2 LYS A 321 18.300 19.225 11.731 1.00 3.51 H ATOM 59 HB3 LYS A 321 19.789 19.886 12.396 1.00 3.66 H ATOM 60 HG2 LYS A 321 18.756 21.853 12.711 1.00 4.36 H ATOM 61 HG3 LYS A 321 18.488 21.998 10.978 1.00 4.11 H ATOM 62 HD2 LYS A 321 16.288 21.876 11.488 1.00 4.81 H ATOM 63 HD3 LYS A 321 16.572 20.152 11.738 1.00 5.02 H ATOM 64 HE2 LYS A 321 16.904 22.244 13.913 1.00 5.93 H ATOM 65 HE3 LYS A 321 15.432 21.313 13.656 1.00 5.90 H ATOM 66 HZ1 LYS A 321 17.162 19.350 13.688 1.00 6.74 H ATOM 67 HZ2 LYS A 321 18.033 20.394 14.685 1.00 6.71 H ATOM 68 HZ3 LYS A 321 16.460 19.881 15.120 1.00 6.81 H ATOM 69 N PRO A 322 20.660 17.750 9.832 1.00 2.87 N ATOM 70 CA PRO A 322 20.701 16.337 9.404 1.00 3.30 C ATOM 71 C PRO A 322 20.002 15.426 10.428 1.00 2.78 C ATOM 72 O PRO A 322 20.165 14.222 10.401 1.00 2.72 O ATOM 73 CB PRO A 322 22.198 16.001 9.352 1.00 4.33 C ATOM 74 CG PRO A 322 22.963 17.169 10.023 1.00 4.53 C ATOM 75 CD PRO A 322 21.944 18.275 10.333 1.00 3.61 C ATOM 76 HA PRO A 322 20.264 16.220 8.427 1.00 3.71 H ATOM 77 HB2 PRO A 322 22.386 15.079 9.886 1.00 4.51 H ATOM 78 HB3 PRO A 322 22.516 15.903 8.326 1.00 5.02 H ATOM 79 HG2 PRO A 322 23.425 16.826 10.939 1.00 4.97 H ATOM 80 HG3 PRO A 322 23.718 17.549 9.351 1.00 5.15 H ATOM 81 HD2 PRO A 322 21.893 18.452 11.398 1.00 3.76 H ATOM 82 HD3 PRO A 322 22.204 19.182 9.810 1.00 3.74 H ATOM 83 N LEU A 323 19.244 15.979 11.341 1.00 2.70 N ATOM 84 CA LEU A 323 18.560 15.130 12.361 1.00 2.39 C ATOM 85 C LEU A 323 17.248 14.572 11.801 1.00 1.78 C ATOM 86 O LEU A 323 16.196 14.744 12.384 1.00 1.89 O ATOM 87 CB LEU A 323 18.262 15.973 13.605 1.00 2.93 C ATOM 88 CG LEU A 323 19.571 16.320 14.320 1.00 3.65 C ATOM 89 CD1 LEU A 323 19.263 16.901 15.702 1.00 4.35 C ATOM 90 CD2 LEU A 323 20.417 15.054 14.480 1.00 3.83 C ATOM 91 H LEU A 323 19.132 16.949 11.365 1.00 3.05 H ATOM 92 HA LEU A 323 19.207 14.310 12.632 1.00 2.54 H ATOM 93 HB2 LEU A 323 17.761 16.884 13.310 1.00 3.10 H ATOM 94 HB3 LEU A 323 17.626 15.414 14.275 1.00 2.89 H ATOM 95 HG LEU A 323 20.116 17.048 13.738 1.00 3.76 H ATOM 96 HD11 LEU A 323 18.450 16.350 16.151 1.00 4.70 H ATOM 97 HD12 LEU A 323 20.139 16.824 16.328 1.00 4.63 H ATOM 98 HD13 LEU A 323 18.982 17.939 15.601 1.00 4.59 H ATOM 99 HD21 LEU A 323 19.783 14.235 14.789 1.00 4.03 H ATOM 100 HD22 LEU A 323 20.881 14.811 13.535 1.00 3.92 H ATOM 101 HD23 LEU A 323 21.180 15.220 15.225 1.00 4.16 H ATOM 102 N ASP A 324 17.296 13.893 10.687 1.00 1.51 N ATOM 103 CA ASP A 324 16.045 13.320 10.116 1.00 1.33 C ATOM 104 C ASP A 324 15.714 12.012 10.841 1.00 1.07 C ATOM 105 O ASP A 324 16.418 11.596 11.741 1.00 1.04 O ATOM 106 CB ASP A 324 16.239 13.043 8.624 1.00 1.76 C ATOM 107 CG ASP A 324 16.759 14.305 7.931 1.00 2.08 C ATOM 108 OD1 ASP A 324 16.250 15.373 8.229 1.00 2.42 O ATOM 109 OD2 ASP A 324 17.656 14.180 7.114 1.00 2.48 O ATOM 110 H ASP A 324 18.151 13.753 10.233 1.00 1.76 H ATOM 111 HA ASP A 324 15.234 14.021 10.251 1.00 1.53 H ATOM 112 HB2 ASP A 324 16.951 12.243 8.496 1.00 1.90 H ATOM 113 HB3 ASP A 324 15.294 12.758 8.185 1.00 2.04 H ATOM 114 N GLY A 325 14.651 11.359 10.459 1.00 0.98 N ATOM 115 CA GLY A 325 14.281 10.078 11.129 1.00 0.84 C ATOM 116 C GLY A 325 15.307 8.999 10.773 1.00 0.70 C ATOM 117 O GLY A 325 16.298 9.264 10.122 1.00 0.68 O ATOM 118 H GLY A 325 14.095 11.709 9.731 1.00 1.08 H ATOM 119 HA2 GLY A 325 14.268 10.224 12.200 1.00 0.89 H ATOM 120 HA3 GLY A 325 13.304 9.765 10.796 1.00 0.91 H ATOM 121 N GLU A 326 15.076 7.783 11.190 1.00 0.65 N ATOM 122 CA GLU A 326 16.040 6.691 10.869 1.00 0.58 C ATOM 123 C GLU A 326 16.181 6.571 9.351 1.00 0.52 C ATOM 124 O GLU A 326 15.633 7.358 8.605 1.00 0.51 O ATOM 125 CB GLU A 326 15.526 5.368 11.443 1.00 0.64 C ATOM 126 CG GLU A 326 15.658 5.387 12.967 1.00 0.75 C ATOM 127 CD GLU A 326 16.782 4.441 13.396 1.00 1.06 C ATOM 128 OE1 GLU A 326 17.932 4.836 13.295 1.00 1.70 O ATOM 129 OE2 GLU A 326 16.473 3.339 13.817 1.00 1.64 O ATOM 130 H GLU A 326 14.270 7.588 11.712 1.00 0.71 H ATOM 131 HA GLU A 326 17.002 6.922 11.303 1.00 0.59 H ATOM 132 HB2 GLU A 326 14.489 5.237 11.171 1.00 0.68 H ATOM 133 HB3 GLU A 326 16.109 4.552 11.043 1.00 0.65 H ATOM 134 HG2 GLU A 326 15.887 6.391 13.296 1.00 0.92 H ATOM 135 HG3 GLU A 326 14.730 5.065 13.414 1.00 0.97 H ATOM 136 N TYR A 327 16.912 5.596 8.884 1.00 0.49 N ATOM 137 CA TYR A 327 17.083 5.439 7.413 1.00 0.45 C ATOM 138 C TYR A 327 17.296 3.964 7.067 1.00 0.43 C ATOM 139 O TYR A 327 18.352 3.408 7.296 1.00 0.48 O ATOM 140 CB TYR A 327 18.294 6.252 6.953 1.00 0.47 C ATOM 141 CG TYR A 327 17.900 7.702 6.817 1.00 0.49 C ATOM 142 CD1 TYR A 327 17.353 8.169 5.612 1.00 0.49 C ATOM 143 CD2 TYR A 327 18.079 8.582 7.894 1.00 0.54 C ATOM 144 CE1 TYR A 327 16.986 9.516 5.485 1.00 0.52 C ATOM 145 CE2 TYR A 327 17.711 9.930 7.767 1.00 0.58 C ATOM 146 CZ TYR A 327 17.164 10.397 6.562 1.00 0.56 C ATOM 147 OH TYR A 327 16.801 11.723 6.437 1.00 0.61 O ATOM 148 H TYR A 327 17.349 4.971 9.500 1.00 0.51 H ATOM 149 HA TYR A 327 16.198 5.800 6.909 1.00 0.44 H ATOM 150 HB2 TYR A 327 19.087 6.160 7.681 1.00 0.51 H ATOM 151 HB3 TYR A 327 18.636 5.881 5.998 1.00 0.46 H ATOM 152 HD1 TYR A 327 17.215 7.490 4.783 1.00 0.47 H ATOM 153 HD2 TYR A 327 18.499 8.223 8.822 1.00 0.57 H ATOM 154 HE1 TYR A 327 16.563 9.875 4.558 1.00 0.53 H ATOM 155 HE2 TYR A 327 17.849 10.607 8.596 1.00 0.62 H ATOM 156 HH TYR A 327 17.140 12.045 5.598 1.00 1.04 H ATOM 157 N PHE A 328 16.303 3.329 6.508 1.00 0.39 N ATOM 158 CA PHE A 328 16.446 1.893 6.139 1.00 0.39 C ATOM 159 C PHE A 328 16.419 1.760 4.614 1.00 0.36 C ATOM 160 O PHE A 328 16.563 2.730 3.896 1.00 0.37 O ATOM 161 CB PHE A 328 15.290 1.090 6.741 1.00 0.40 C ATOM 162 CG PHE A 328 15.266 1.286 8.238 1.00 0.44 C ATOM 163 CD1 PHE A 328 14.528 2.342 8.795 1.00 0.47 C ATOM 164 CD2 PHE A 328 15.979 0.413 9.072 1.00 0.51 C ATOM 165 CE1 PHE A 328 14.504 2.524 10.186 1.00 0.54 C ATOM 166 CE2 PHE A 328 15.956 0.594 10.463 1.00 0.57 C ATOM 167 CZ PHE A 328 15.218 1.650 11.020 1.00 0.58 C ATOM 168 H PHE A 328 15.462 3.799 6.328 1.00 0.39 H ATOM 169 HA PHE A 328 17.384 1.514 6.518 1.00 0.42 H ATOM 170 HB2 PHE A 328 14.357 1.431 6.317 1.00 0.40 H ATOM 171 HB3 PHE A 328 15.425 0.042 6.518 1.00 0.43 H ATOM 172 HD1 PHE A 328 13.978 3.014 8.152 1.00 0.48 H ATOM 173 HD2 PHE A 328 16.547 -0.400 8.643 1.00 0.54 H ATOM 174 HE1 PHE A 328 13.936 3.336 10.614 1.00 0.59 H ATOM 175 HE2 PHE A 328 16.505 -0.078 11.105 1.00 0.65 H ATOM 176 HZ PHE A 328 15.199 1.790 12.090 1.00 0.64 H ATOM 177 N THR A 329 16.238 0.570 4.113 1.00 0.35 N ATOM 178 CA THR A 329 16.204 0.382 2.635 1.00 0.34 C ATOM 179 C THR A 329 15.386 -0.866 2.299 1.00 0.33 C ATOM 180 O THR A 329 15.063 -1.657 3.162 1.00 0.37 O ATOM 181 CB THR A 329 17.631 0.217 2.108 1.00 0.37 C ATOM 182 OG1 THR A 329 18.349 -0.666 2.958 1.00 0.39 O ATOM 183 CG2 THR A 329 18.326 1.580 2.079 1.00 0.42 C ATOM 184 H THR A 329 16.125 -0.201 4.707 1.00 0.35 H ATOM 185 HA THR A 329 15.748 1.246 2.174 1.00 0.35 H ATOM 186 HB THR A 329 17.602 -0.188 1.108 1.00 0.39 H ATOM 187 HG1 THR A 329 18.897 -1.229 2.406 1.00 0.97 H ATOM 188 HG21 THR A 329 17.726 2.277 1.513 1.00 1.08 H ATOM 189 HG22 THR A 329 18.445 1.944 3.088 1.00 1.14 H ATOM 190 HG23 THR A 329 19.296 1.480 1.615 1.00 1.09 H ATOM 191 N LEU A 330 15.043 -1.048 1.053 1.00 0.29 N ATOM 192 CA LEU A 330 14.242 -2.245 0.673 1.00 0.29 C ATOM 193 C LEU A 330 14.555 -2.641 -0.772 1.00 0.27 C ATOM 194 O LEU A 330 14.531 -1.823 -1.670 1.00 0.25 O ATOM 195 CB LEU A 330 12.754 -1.915 0.800 1.00 0.29 C ATOM 196 CG LEU A 330 11.923 -3.128 0.385 1.00 0.30 C ATOM 197 CD1 LEU A 330 12.020 -4.207 1.465 1.00 0.36 C ATOM 198 CD2 LEU A 330 10.461 -2.707 0.214 1.00 0.32 C ATOM 199 H LEU A 330 15.310 -0.398 0.369 1.00 0.27 H ATOM 200 HA LEU A 330 14.486 -3.065 1.332 1.00 0.32 H ATOM 201 HB2 LEU A 330 12.529 -1.657 1.825 1.00 0.35 H ATOM 202 HB3 LEU A 330 12.515 -1.080 0.158 1.00 0.29 H ATOM 203 HG LEU A 330 12.298 -3.519 -0.550 1.00 0.31 H ATOM 204 HD11 LEU A 330 11.794 -3.773 2.428 1.00 1.08 H ATOM 205 HD12 LEU A 330 11.315 -4.996 1.251 1.00 1.03 H ATOM 206 HD13 LEU A 330 13.021 -4.612 1.479 1.00 1.09 H ATOM 207 HD21 LEU A 330 10.240 -1.893 0.889 1.00 1.08 H ATOM 208 HD22 LEU A 330 10.295 -2.387 -0.804 1.00 1.05 H ATOM 209 HD23 LEU A 330 9.817 -3.545 0.438 1.00 1.08 H ATOM 210 N GLN A 331 14.840 -3.894 -1.002 1.00 0.29 N ATOM 211 CA GLN A 331 15.146 -4.349 -2.388 1.00 0.29 C ATOM 212 C GLN A 331 13.844 -4.741 -3.090 1.00 0.28 C ATOM 213 O GLN A 331 13.198 -5.703 -2.726 1.00 0.31 O ATOM 214 CB GLN A 331 16.081 -5.559 -2.331 1.00 0.34 C ATOM 215 CG GLN A 331 16.527 -5.928 -3.747 1.00 0.40 C ATOM 216 CD GLN A 331 18.038 -5.723 -3.876 1.00 0.64 C ATOM 217 OE1 GLN A 331 18.809 -6.347 -3.175 1.00 1.37 O ATOM 218 NE2 GLN A 331 18.495 -4.868 -4.749 1.00 0.62 N ATOM 219 H GLN A 331 14.848 -4.538 -0.263 1.00 0.32 H ATOM 220 HA GLN A 331 15.624 -3.549 -2.933 1.00 0.28 H ATOM 221 HB2 GLN A 331 16.947 -5.316 -1.732 1.00 0.41 H ATOM 222 HB3 GLN A 331 15.561 -6.396 -1.890 1.00 0.37 H ATOM 223 HG2 GLN A 331 16.285 -6.963 -3.942 1.00 0.48 H ATOM 224 HG3 GLN A 331 16.018 -5.298 -4.461 1.00 0.61 H ATOM 225 HE21 GLN A 331 17.873 -4.364 -5.315 1.00 1.01 H ATOM 226 HE22 GLN A 331 19.461 -4.729 -4.840 1.00 0.76 H ATOM 227 N ILE A 332 13.449 -4.001 -4.090 1.00 0.29 N ATOM 228 CA ILE A 332 12.184 -4.335 -4.806 1.00 0.31 C ATOM 229 C ILE A 332 12.506 -5.000 -6.146 1.00 0.32 C ATOM 230 O ILE A 332 12.959 -4.362 -7.075 1.00 0.33 O ATOM 231 CB ILE A 332 11.387 -3.052 -5.053 1.00 0.35 C ATOM 232 CG1 ILE A 332 11.193 -2.311 -3.728 1.00 0.34 C ATOM 233 CG2 ILE A 332 10.021 -3.405 -5.643 1.00 0.47 C ATOM 234 CD1 ILE A 332 10.723 -0.882 -4.007 1.00 0.39 C ATOM 235 H ILE A 332 13.981 -3.226 -4.368 1.00 0.30 H ATOM 236 HA ILE A 332 11.597 -5.010 -4.202 1.00 0.33 H ATOM 237 HB ILE A 332 11.926 -2.422 -5.745 1.00 0.38 H ATOM 238 HG12 ILE A 332 10.452 -2.825 -3.133 1.00 0.41 H ATOM 239 HG13 ILE A 332 12.129 -2.282 -3.191 1.00 0.35 H ATOM 240 HG21 ILE A 332 9.532 -4.131 -5.011 1.00 1.15 H ATOM 241 HG22 ILE A 332 9.414 -2.513 -5.703 1.00 1.15 H ATOM 242 HG23 ILE A 332 10.152 -3.819 -6.632 1.00 1.04 H ATOM 243 HD11 ILE A 332 9.789 -0.909 -4.548 1.00 1.09 H ATOM 244 HD12 ILE A 332 10.582 -0.361 -3.072 1.00 1.12 H ATOM 245 HD13 ILE A 332 11.467 -0.367 -4.597 1.00 1.05 H ATOM 246 N ARG A 333 12.269 -6.279 -6.256 1.00 0.33 N ATOM 247 CA ARG A 333 12.555 -6.984 -7.537 1.00 0.36 C ATOM 248 C ARG A 333 11.514 -6.586 -8.584 1.00 0.38 C ATOM 249 O ARG A 333 10.403 -6.215 -8.260 1.00 0.42 O ATOM 250 CB ARG A 333 12.494 -8.496 -7.312 1.00 0.40 C ATOM 251 CG ARG A 333 13.339 -8.867 -6.092 1.00 0.43 C ATOM 252 CD ARG A 333 13.079 -10.327 -5.720 1.00 0.91 C ATOM 253 NE ARG A 333 13.936 -10.706 -4.561 1.00 1.05 N ATOM 254 CZ ARG A 333 13.682 -11.796 -3.888 1.00 1.50 C ATOM 255 NH1 ARG A 333 12.677 -12.560 -4.228 1.00 2.10 N ATOM 256 NH2 ARG A 333 14.433 -12.124 -2.873 1.00 2.10 N ATOM 257 H ARG A 333 11.899 -6.776 -5.496 1.00 0.34 H ATOM 258 HA ARG A 333 13.541 -6.712 -7.886 1.00 0.37 H ATOM 259 HB2 ARG A 333 11.468 -8.793 -7.144 1.00 0.45 H ATOM 260 HB3 ARG A 333 12.878 -9.006 -8.182 1.00 0.48 H ATOM 261 HG2 ARG A 333 14.385 -8.733 -6.325 1.00 0.78 H ATOM 262 HG3 ARG A 333 13.070 -8.232 -5.261 1.00 0.88 H ATOM 263 HD2 ARG A 333 12.040 -10.451 -5.454 1.00 1.66 H ATOM 264 HD3 ARG A 333 13.313 -10.960 -6.563 1.00 1.56 H ATOM 265 HE ARG A 333 14.690 -10.136 -4.304 1.00 1.63 H ATOM 266 HH11 ARG A 333 12.099 -12.313 -5.005 1.00 2.21 H ATOM 267 HH12 ARG A 333 12.487 -13.393 -3.709 1.00 2.79 H ATOM 268 HH21 ARG A 333 15.202 -11.541 -2.611 1.00 2.40 H ATOM 269 HH22 ARG A 333 14.239 -12.959 -2.357 1.00 2.59 H ATOM 270 N GLY A 334 11.862 -6.664 -9.839 1.00 0.39 N ATOM 271 CA GLY A 334 10.891 -6.296 -10.908 1.00 0.42 C ATOM 272 C GLY A 334 10.776 -4.774 -11.002 1.00 0.40 C ATOM 273 O GLY A 334 10.508 -4.099 -10.027 1.00 0.39 O ATOM 274 H GLY A 334 12.762 -6.970 -10.079 1.00 0.40 H ATOM 275 HA2 GLY A 334 11.232 -6.691 -11.854 1.00 0.45 H ATOM 276 HA3 GLY A 334 9.923 -6.712 -10.673 1.00 0.44 H ATOM 277 N ARG A 335 10.972 -4.228 -12.171 1.00 0.43 N ATOM 278 CA ARG A 335 10.869 -2.751 -12.332 1.00 0.45 C ATOM 279 C ARG A 335 9.397 -2.337 -12.280 1.00 0.45 C ATOM 280 O ARG A 335 9.056 -1.281 -11.786 1.00 0.44 O ATOM 281 CB ARG A 335 11.468 -2.343 -13.680 1.00 0.50 C ATOM 282 CG ARG A 335 11.267 -0.841 -13.897 1.00 0.58 C ATOM 283 CD ARG A 335 11.199 -0.548 -15.396 1.00 0.91 C ATOM 284 NE ARG A 335 11.634 0.854 -15.650 1.00 1.36 N ATOM 285 CZ ARG A 335 11.944 1.235 -16.860 1.00 1.83 C ATOM 286 NH1 ARG A 335 11.879 0.388 -17.853 1.00 2.18 N ATOM 287 NH2 ARG A 335 12.322 2.464 -17.079 1.00 2.68 N ATOM 288 H ARG A 335 11.183 -4.791 -12.945 1.00 0.47 H ATOM 289 HA ARG A 335 11.410 -2.263 -11.534 1.00 0.44 H ATOM 290 HB2 ARG A 335 12.524 -2.570 -13.688 1.00 0.51 H ATOM 291 HB3 ARG A 335 10.976 -2.888 -14.472 1.00 0.56 H ATOM 292 HG2 ARG A 335 10.346 -0.528 -13.427 1.00 0.81 H ATOM 293 HG3 ARG A 335 12.095 -0.300 -13.464 1.00 0.83 H ATOM 294 HD2 ARG A 335 11.851 -1.228 -15.925 1.00 1.56 H ATOM 295 HD3 ARG A 335 10.185 -0.679 -15.743 1.00 1.51 H ATOM 296 HE ARG A 335 11.685 1.492 -14.908 1.00 2.00 H ATOM 297 HH11 ARG A 335 11.591 -0.556 -17.690 1.00 2.17 H ATOM 298 HH12 ARG A 335 12.118 0.683 -18.777 1.00 2.88 H ATOM 299 HH21 ARG A 335 12.373 3.114 -16.321 1.00 3.10 H ATOM 300 HH22 ARG A 335 12.560 2.757 -18.005 1.00 3.16 H ATOM 301 N GLU A 336 8.524 -3.160 -12.791 1.00 0.50 N ATOM 302 CA GLU A 336 7.074 -2.816 -12.776 1.00 0.54 C ATOM 303 C GLU A 336 6.613 -2.596 -11.333 1.00 0.48 C ATOM 304 O GLU A 336 6.146 -1.533 -10.975 1.00 0.44 O ATOM 305 CB GLU A 336 6.274 -3.964 -13.395 1.00 0.62 C ATOM 306 CG GLU A 336 5.611 -3.488 -14.689 1.00 1.19 C ATOM 307 CD GLU A 336 4.989 -4.684 -15.413 1.00 1.58 C ATOM 308 OE1 GLU A 336 4.286 -5.443 -14.766 1.00 2.22 O ATOM 309 OE2 GLU A 336 5.225 -4.820 -16.602 1.00 2.04 O ATOM 310 H GLU A 336 8.821 -4.006 -13.187 1.00 0.53 H ATOM 311 HA GLU A 336 6.911 -1.915 -13.348 1.00 0.57 H ATOM 312 HB2 GLU A 336 6.938 -4.788 -13.612 1.00 1.01 H ATOM 313 HB3 GLU A 336 5.513 -4.288 -12.701 1.00 1.01 H ATOM 314 HG2 GLU A 336 4.841 -2.767 -14.455 1.00 1.72 H ATOM 315 HG3 GLU A 336 6.352 -3.030 -15.326 1.00 1.72 H ATOM 316 N ARG A 337 6.738 -3.595 -10.504 1.00 0.48 N ATOM 317 CA ARG A 337 6.303 -3.446 -9.086 1.00 0.46 C ATOM 318 C ARG A 337 7.106 -2.330 -8.418 1.00 0.39 C ATOM 319 O ARG A 337 6.628 -1.658 -7.526 1.00 0.36 O ATOM 320 CB ARG A 337 6.537 -4.762 -8.342 1.00 0.51 C ATOM 321 CG ARG A 337 5.607 -5.833 -8.912 1.00 0.63 C ATOM 322 CD ARG A 337 4.238 -5.725 -8.239 1.00 1.16 C ATOM 323 NE ARG A 337 3.657 -7.092 -8.051 1.00 1.43 N ATOM 324 CZ ARG A 337 3.584 -7.941 -9.044 1.00 2.15 C ATOM 325 NH1 ARG A 337 3.827 -7.556 -10.268 1.00 2.74 N ATOM 326 NH2 ARG A 337 3.203 -9.168 -8.818 1.00 2.77 N ATOM 327 H ARG A 337 7.115 -4.444 -10.814 1.00 0.53 H ATOM 328 HA ARG A 337 5.253 -3.199 -9.057 1.00 0.46 H ATOM 329 HB2 ARG A 337 7.565 -5.071 -8.469 1.00 0.55 H ATOM 330 HB3 ARG A 337 6.327 -4.626 -7.292 1.00 0.53 H ATOM 331 HG2 ARG A 337 5.504 -5.682 -9.976 1.00 1.23 H ATOM 332 HG3 ARG A 337 6.024 -6.811 -8.725 1.00 1.10 H ATOM 333 HD2 ARG A 337 4.353 -5.276 -7.269 1.00 1.72 H ATOM 334 HD3 ARG A 337 3.587 -5.101 -8.845 1.00 1.86 H ATOM 335 HE ARG A 337 3.376 -7.375 -7.156 1.00 1.69 H ATOM 336 HH11 ARG A 337 4.062 -6.607 -10.459 1.00 2.62 H ATOM 337 HH12 ARG A 337 3.777 -8.217 -11.017 1.00 3.54 H ATOM 338 HH21 ARG A 337 2.968 -9.456 -7.890 1.00 2.78 H ATOM 339 HH22 ARG A 337 3.145 -9.821 -9.573 1.00 3.47 H ATOM 340 N PHE A 338 8.322 -2.126 -8.840 1.00 0.39 N ATOM 341 CA PHE A 338 9.150 -1.053 -8.226 1.00 0.35 C ATOM 342 C PHE A 338 8.411 0.283 -8.320 1.00 0.33 C ATOM 343 O PHE A 338 8.162 0.935 -7.328 1.00 0.29 O ATOM 344 CB PHE A 338 10.483 -0.949 -8.967 1.00 0.39 C ATOM 345 CG PHE A 338 11.242 0.256 -8.464 1.00 0.37 C ATOM 346 CD1 PHE A 338 11.823 0.234 -7.188 1.00 0.38 C ATOM 347 CD2 PHE A 338 11.363 1.396 -9.272 1.00 0.42 C ATOM 348 CE1 PHE A 338 12.526 1.354 -6.718 1.00 0.40 C ATOM 349 CE2 PHE A 338 12.067 2.516 -8.803 1.00 0.43 C ATOM 350 CZ PHE A 338 12.648 2.494 -7.526 1.00 0.41 C ATOM 351 H PHE A 338 8.690 -2.679 -9.561 1.00 0.42 H ATOM 352 HA PHE A 338 9.333 -1.290 -7.188 1.00 0.35 H ATOM 353 HB2 PHE A 338 11.065 -1.842 -8.790 1.00 0.42 H ATOM 354 HB3 PHE A 338 10.300 -0.842 -10.026 1.00 0.43 H ATOM 355 HD1 PHE A 338 11.729 -0.644 -6.566 1.00 0.42 H ATOM 356 HD2 PHE A 338 10.915 1.412 -10.254 1.00 0.48 H ATOM 357 HE1 PHE A 338 12.973 1.337 -5.735 1.00 0.45 H ATOM 358 HE2 PHE A 338 12.160 3.394 -9.424 1.00 0.50 H ATOM 359 HZ PHE A 338 13.189 3.356 -7.164 1.00 0.44 H ATOM 360 N GLU A 339 8.065 0.699 -9.507 1.00 0.37 N ATOM 361 CA GLU A 339 7.351 1.998 -9.667 1.00 0.38 C ATOM 362 C GLU A 339 6.124 2.044 -8.750 1.00 0.33 C ATOM 363 O GLU A 339 5.763 3.085 -8.236 1.00 0.30 O ATOM 364 CB GLU A 339 6.901 2.152 -11.122 1.00 0.45 C ATOM 365 CG GLU A 339 8.128 2.207 -12.035 1.00 0.58 C ATOM 366 CD GLU A 339 7.740 2.830 -13.377 1.00 0.98 C ATOM 367 OE1 GLU A 339 7.542 4.034 -13.413 1.00 1.66 O ATOM 368 OE2 GLU A 339 7.646 2.094 -14.345 1.00 1.53 O ATOM 369 H GLU A 339 8.282 0.159 -10.295 1.00 0.41 H ATOM 370 HA GLU A 339 8.018 2.807 -9.412 1.00 0.38 H ATOM 371 HB2 GLU A 339 6.283 1.310 -11.399 1.00 0.46 H ATOM 372 HB3 GLU A 339 6.335 3.065 -11.229 1.00 0.48 H ATOM 373 HG2 GLU A 339 8.898 2.805 -11.568 1.00 0.74 H ATOM 374 HG3 GLU A 339 8.500 1.206 -12.199 1.00 0.81 H ATOM 375 N MET A 340 5.471 0.932 -8.550 1.00 0.33 N ATOM 376 CA MET A 340 4.260 0.923 -7.679 1.00 0.30 C ATOM 377 C MET A 340 4.637 1.300 -6.243 1.00 0.26 C ATOM 378 O MET A 340 4.032 2.165 -5.641 1.00 0.25 O ATOM 379 CB MET A 340 3.635 -0.475 -7.690 1.00 0.34 C ATOM 380 CG MET A 340 2.254 -0.422 -7.033 1.00 0.34 C ATOM 381 SD MET A 340 1.587 -2.100 -6.895 1.00 0.43 S ATOM 382 CE MET A 340 2.169 -2.437 -5.215 1.00 0.44 C ATOM 383 H MET A 340 5.771 0.104 -8.982 1.00 0.36 H ATOM 384 HA MET A 340 3.543 1.636 -8.057 1.00 0.31 H ATOM 385 HB2 MET A 340 3.536 -0.816 -8.711 1.00 0.41 H ATOM 386 HB3 MET A 340 4.266 -1.158 -7.142 1.00 0.34 H ATOM 387 HG2 MET A 340 2.341 0.013 -6.048 1.00 0.35 H ATOM 388 HG3 MET A 340 1.591 0.180 -7.636 1.00 0.44 H ATOM 389 HE1 MET A 340 3.233 -2.257 -5.160 1.00 1.12 H ATOM 390 HE2 MET A 340 1.661 -1.789 -4.519 1.00 1.15 H ATOM 391 HE3 MET A 340 1.959 -3.468 -4.963 1.00 1.08 H ATOM 392 N PHE A 341 5.623 0.655 -5.685 1.00 0.24 N ATOM 393 CA PHE A 341 6.026 0.973 -4.285 1.00 0.22 C ATOM 394 C PHE A 341 6.504 2.425 -4.197 1.00 0.22 C ATOM 395 O PHE A 341 6.117 3.162 -3.313 1.00 0.22 O ATOM 396 CB PHE A 341 7.158 0.037 -3.859 1.00 0.22 C ATOM 397 CG PHE A 341 6.583 -1.308 -3.482 1.00 0.23 C ATOM 398 CD1 PHE A 341 5.838 -1.447 -2.302 1.00 0.26 C ATOM 399 CD2 PHE A 341 6.794 -2.419 -4.313 1.00 0.26 C ATOM 400 CE1 PHE A 341 5.304 -2.696 -1.952 1.00 0.29 C ATOM 401 CE2 PHE A 341 6.260 -3.668 -3.963 1.00 0.29 C ATOM 402 CZ PHE A 341 5.515 -3.806 -2.782 1.00 0.29 C ATOM 403 H PHE A 341 6.095 -0.045 -6.184 1.00 0.26 H ATOM 404 HA PHE A 341 5.180 0.834 -3.628 1.00 0.22 H ATOM 405 HB2 PHE A 341 7.852 -0.084 -4.678 1.00 0.24 H ATOM 406 HB3 PHE A 341 7.674 0.458 -3.009 1.00 0.23 H ATOM 407 HD1 PHE A 341 5.675 -0.591 -1.662 1.00 0.30 H ATOM 408 HD2 PHE A 341 7.368 -2.312 -5.222 1.00 0.30 H ATOM 409 HE1 PHE A 341 4.730 -2.802 -1.043 1.00 0.33 H ATOM 410 HE2 PHE A 341 6.423 -4.523 -4.603 1.00 0.34 H ATOM 411 HZ PHE A 341 5.104 -4.768 -2.513 1.00 0.32 H ATOM 412 N ARG A 342 7.346 2.839 -5.102 1.00 0.25 N ATOM 413 CA ARG A 342 7.857 4.239 -5.071 1.00 0.27 C ATOM 414 C ARG A 342 6.689 5.219 -4.938 1.00 0.25 C ATOM 415 O ARG A 342 6.760 6.185 -4.205 1.00 0.26 O ATOM 416 CB ARG A 342 8.617 4.527 -6.367 1.00 0.33 C ATOM 417 CG ARG A 342 9.268 5.909 -6.283 1.00 0.43 C ATOM 418 CD ARG A 342 9.680 6.364 -7.684 1.00 0.88 C ATOM 419 NE ARG A 342 10.307 7.714 -7.603 1.00 1.25 N ATOM 420 CZ ARG A 342 10.999 8.177 -8.610 1.00 1.72 C ATOM 421 NH1 ARG A 342 11.142 7.464 -9.694 1.00 2.19 N ATOM 422 NH2 ARG A 342 11.549 9.359 -8.532 1.00 2.44 N ATOM 423 H ARG A 342 7.647 2.227 -5.802 1.00 0.28 H ATOM 424 HA ARG A 342 8.524 4.359 -4.231 1.00 0.29 H ATOM 425 HB2 ARG A 342 9.382 3.776 -6.510 1.00 0.37 H ATOM 426 HB3 ARG A 342 7.931 4.505 -7.200 1.00 0.37 H ATOM 427 HG2 ARG A 342 8.563 6.613 -5.867 1.00 0.80 H ATOM 428 HG3 ARG A 342 10.142 5.857 -5.652 1.00 0.77 H ATOM 429 HD2 ARG A 342 10.389 5.662 -8.096 1.00 1.51 H ATOM 430 HD3 ARG A 342 8.808 6.410 -8.319 1.00 1.42 H ATOM 431 HE ARG A 342 10.202 8.254 -6.792 1.00 1.84 H ATOM 432 HH11 ARG A 342 10.723 6.559 -9.759 1.00 2.21 H ATOM 433 HH12 ARG A 342 11.673 7.823 -10.462 1.00 2.91 H ATOM 434 HH21 ARG A 342 11.440 9.907 -7.703 1.00 2.77 H ATOM 435 HH22 ARG A 342 12.079 9.715 -9.301 1.00 2.94 H ATOM 436 N GLU A 343 5.617 4.985 -5.644 1.00 0.25 N ATOM 437 CA GLU A 343 4.453 5.912 -5.558 1.00 0.25 C ATOM 438 C GLU A 343 3.963 5.993 -4.111 1.00 0.21 C ATOM 439 O GLU A 343 3.722 7.063 -3.587 1.00 0.22 O ATOM 440 CB GLU A 343 3.323 5.397 -6.451 1.00 0.28 C ATOM 441 CG GLU A 343 2.102 6.307 -6.305 1.00 0.33 C ATOM 442 CD GLU A 343 1.514 6.601 -7.687 1.00 1.05 C ATOM 443 OE1 GLU A 343 1.553 5.716 -8.526 1.00 1.74 O ATOM 444 OE2 GLU A 343 1.034 7.705 -7.882 1.00 1.74 O ATOM 445 H GLU A 343 5.579 4.203 -6.234 1.00 0.27 H ATOM 446 HA GLU A 343 4.753 6.895 -5.890 1.00 0.28 H ATOM 447 HB2 GLU A 343 3.650 5.394 -7.481 1.00 0.35 H ATOM 448 HB3 GLU A 343 3.058 4.393 -6.154 1.00 0.32 H ATOM 449 HG2 GLU A 343 1.359 5.817 -5.693 1.00 0.69 H ATOM 450 HG3 GLU A 343 2.398 7.234 -5.838 1.00 0.64 H ATOM 451 N LEU A 344 3.812 4.873 -3.460 1.00 0.20 N ATOM 452 CA LEU A 344 3.335 4.890 -2.048 1.00 0.19 C ATOM 453 C LEU A 344 4.345 5.636 -1.175 1.00 0.20 C ATOM 454 O LEU A 344 3.984 6.333 -0.248 1.00 0.23 O ATOM 455 CB LEU A 344 3.191 3.454 -1.542 1.00 0.20 C ATOM 456 CG LEU A 344 2.070 2.753 -2.309 1.00 0.24 C ATOM 457 CD1 LEU A 344 2.177 1.241 -2.105 1.00 0.29 C ATOM 458 CD2 LEU A 344 0.716 3.242 -1.790 1.00 0.30 C ATOM 459 H LEU A 344 4.010 4.020 -3.900 1.00 0.21 H ATOM 460 HA LEU A 344 2.378 5.387 -1.997 1.00 0.20 H ATOM 461 HB2 LEU A 344 4.120 2.923 -1.695 1.00 0.22 H ATOM 462 HB3 LEU A 344 2.951 3.465 -0.489 1.00 0.23 H ATOM 463 HG LEU A 344 2.158 2.981 -3.362 1.00 0.27 H ATOM 464 HD11 LEU A 344 2.657 1.039 -1.158 1.00 1.02 H ATOM 465 HD12 LEU A 344 1.189 0.806 -2.107 1.00 1.03 H ATOM 466 HD13 LEU A 344 2.762 0.810 -2.904 1.00 1.00 H ATOM 467 HD21 LEU A 344 0.835 4.216 -1.338 1.00 1.07 H ATOM 468 HD22 LEU A 344 0.018 3.310 -2.612 1.00 1.04 H ATOM 469 HD23 LEU A 344 0.340 2.547 -1.054 1.00 1.04 H ATOM 470 N ASN A 345 5.609 5.493 -1.460 1.00 0.24 N ATOM 471 CA ASN A 345 6.640 6.190 -0.643 1.00 0.29 C ATOM 472 C ASN A 345 6.376 7.697 -0.657 1.00 0.25 C ATOM 473 O ASN A 345 6.272 8.327 0.376 1.00 0.25 O ATOM 474 CB ASN A 345 8.026 5.913 -1.227 1.00 0.38 C ATOM 475 CG ASN A 345 9.084 6.627 -0.385 1.00 0.49 C ATOM 476 OD1 ASN A 345 8.821 7.662 0.195 1.00 1.22 O ATOM 477 ND2 ASN A 345 10.280 6.116 -0.292 1.00 0.58 N ATOM 478 H ASN A 345 5.880 4.926 -2.210 1.00 0.28 H ATOM 479 HA ASN A 345 6.599 5.827 0.373 1.00 0.32 H ATOM 480 HB2 ASN A 345 8.214 4.849 -1.217 1.00 0.41 H ATOM 481 HB3 ASN A 345 8.069 6.277 -2.242 1.00 0.41 H ATOM 482 HD21 ASN A 345 10.493 5.282 -0.759 1.00 1.14 H ATOM 483 HD22 ASN A 345 10.965 6.566 0.246 1.00 0.58 H ATOM 484 N GLU A 346 6.274 8.280 -1.819 1.00 0.27 N ATOM 485 CA GLU A 346 6.025 9.747 -1.898 1.00 0.28 C ATOM 486 C GLU A 346 4.693 10.081 -1.223 1.00 0.23 C ATOM 487 O GLU A 346 4.513 11.155 -0.687 1.00 0.25 O ATOM 488 CB GLU A 346 5.972 10.176 -3.367 1.00 0.34 C ATOM 489 CG GLU A 346 5.777 11.691 -3.452 1.00 0.40 C ATOM 490 CD GLU A 346 6.454 12.223 -4.717 1.00 1.00 C ATOM 491 OE1 GLU A 346 7.602 11.878 -4.941 1.00 1.70 O ATOM 492 OE2 GLU A 346 5.812 12.968 -5.440 1.00 1.72 O ATOM 493 H GLU A 346 6.367 7.754 -2.641 1.00 0.30 H ATOM 494 HA GLU A 346 6.824 10.274 -1.399 1.00 0.31 H ATOM 495 HB2 GLU A 346 6.897 9.903 -3.854 1.00 0.40 H ATOM 496 HB3 GLU A 346 5.147 9.681 -3.856 1.00 0.37 H ATOM 497 HG2 GLU A 346 4.721 11.916 -3.486 1.00 0.82 H ATOM 498 HG3 GLU A 346 6.218 12.161 -2.586 1.00 0.80 H ATOM 499 N ALA A 347 3.757 9.173 -1.250 1.00 0.22 N ATOM 500 CA ALA A 347 2.435 9.441 -0.614 1.00 0.23 C ATOM 501 C ALA A 347 2.619 9.699 0.884 1.00 0.22 C ATOM 502 O ALA A 347 2.233 10.730 1.398 1.00 0.24 O ATOM 503 CB ALA A 347 1.520 8.231 -0.814 1.00 0.27 C ATOM 504 H ALA A 347 3.921 8.315 -1.693 1.00 0.23 H ATOM 505 HA ALA A 347 1.986 10.309 -1.073 1.00 0.26 H ATOM 506 HB1 ALA A 347 2.097 7.402 -1.194 1.00 1.00 H ATOM 507 HB2 ALA A 347 1.074 7.957 0.131 1.00 1.01 H ATOM 508 HB3 ALA A 347 0.741 8.481 -1.520 1.00 1.07 H ATOM 509 N LEU A 348 3.199 8.767 1.589 1.00 0.22 N ATOM 510 CA LEU A 348 3.399 8.953 3.055 1.00 0.24 C ATOM 511 C LEU A 348 4.295 10.169 3.306 1.00 0.27 C ATOM 512 O LEU A 348 4.025 10.983 4.166 1.00 0.29 O ATOM 513 CB LEU A 348 4.067 7.705 3.639 1.00 0.25 C ATOM 514 CG LEU A 348 3.030 6.592 3.810 1.00 0.24 C ATOM 515 CD1 LEU A 348 1.852 7.111 4.634 1.00 0.29 C ATOM 516 CD2 LEU A 348 2.532 6.142 2.435 1.00 0.24 C ATOM 517 H LEU A 348 3.497 7.940 1.156 1.00 0.22 H ATOM 518 HA LEU A 348 2.442 9.106 3.532 1.00 0.25 H ATOM 519 HB2 LEU A 348 4.847 7.369 2.971 1.00 0.25 H ATOM 520 HB3 LEU A 348 4.496 7.944 4.601 1.00 0.28 H ATOM 521 HG LEU A 348 3.484 5.755 4.321 1.00 0.27 H ATOM 522 HD11 LEU A 348 2.222 7.696 5.463 1.00 1.08 H ATOM 523 HD12 LEU A 348 1.221 7.727 4.012 1.00 1.06 H ATOM 524 HD13 LEU A 348 1.280 6.275 5.011 1.00 1.03 H ATOM 525 HD21 LEU A 348 3.363 6.103 1.748 1.00 1.01 H ATOM 526 HD22 LEU A 348 2.086 5.162 2.517 1.00 1.05 H ATOM 527 HD23 LEU A 348 1.796 6.843 2.072 1.00 1.03 H ATOM 528 N GLU A 349 5.363 10.296 2.567 1.00 0.30 N ATOM 529 CA GLU A 349 6.280 11.455 2.771 1.00 0.35 C ATOM 530 C GLU A 349 5.509 12.766 2.597 1.00 0.32 C ATOM 531 O GLU A 349 5.793 13.752 3.248 1.00 0.34 O ATOM 532 CB GLU A 349 7.418 11.392 1.749 1.00 0.40 C ATOM 533 CG GLU A 349 8.235 10.116 1.971 1.00 0.48 C ATOM 534 CD GLU A 349 9.727 10.437 1.863 1.00 1.13 C ATOM 535 OE1 GLU A 349 10.067 11.338 1.115 1.00 1.91 O ATOM 536 OE2 GLU A 349 10.503 9.773 2.531 1.00 1.68 O ATOM 537 H GLU A 349 5.567 9.626 1.883 1.00 0.31 H ATOM 538 HA GLU A 349 6.693 11.412 3.768 1.00 0.39 H ATOM 539 HB2 GLU A 349 7.005 11.387 0.750 1.00 0.38 H ATOM 540 HB3 GLU A 349 8.059 12.252 1.870 1.00 0.46 H ATOM 541 HG2 GLU A 349 8.021 9.719 2.952 1.00 0.90 H ATOM 542 HG3 GLU A 349 7.971 9.385 1.221 1.00 0.78 H ATOM 543 N LEU A 350 4.534 12.789 1.730 1.00 0.29 N ATOM 544 CA LEU A 350 3.751 14.041 1.526 1.00 0.29 C ATOM 545 C LEU A 350 3.021 14.391 2.822 1.00 0.28 C ATOM 546 O LEU A 350 3.004 15.527 3.252 1.00 0.32 O ATOM 547 CB LEU A 350 2.730 13.833 0.405 1.00 0.29 C ATOM 548 CG LEU A 350 2.280 15.193 -0.135 1.00 0.34 C ATOM 549 CD1 LEU A 350 1.720 15.022 -1.548 1.00 0.41 C ATOM 550 CD2 LEU A 350 1.192 15.767 0.775 1.00 0.38 C ATOM 551 H LEU A 350 4.316 11.985 1.216 1.00 0.30 H ATOM 552 HA LEU A 350 4.421 14.846 1.261 1.00 0.32 H ATOM 553 HB2 LEU A 350 3.182 13.261 -0.392 1.00 0.33 H ATOM 554 HB3 LEU A 350 1.875 13.300 0.791 1.00 0.28 H ATOM 555 HG LEU A 350 3.123 15.867 -0.161 1.00 0.49 H ATOM 556 HD11 LEU A 350 1.317 14.026 -1.658 1.00 1.08 H ATOM 557 HD12 LEU A 350 0.937 15.748 -1.715 1.00 1.15 H ATOM 558 HD13 LEU A 350 2.510 15.173 -2.269 1.00 1.06 H ATOM 559 HD21 LEU A 350 0.387 15.054 0.865 1.00 1.15 H ATOM 560 HD22 LEU A 350 1.606 15.968 1.750 1.00 1.06 H ATOM 561 HD23 LEU A 350 0.815 16.685 0.349 1.00 1.07 H ATOM 562 N LYS A 351 2.423 13.419 3.451 1.00 0.27 N ATOM 563 CA LYS A 351 1.698 13.688 4.722 1.00 0.31 C ATOM 564 C LYS A 351 2.680 14.257 5.748 1.00 0.38 C ATOM 565 O LYS A 351 2.368 15.175 6.480 1.00 0.44 O ATOM 566 CB LYS A 351 1.104 12.381 5.251 1.00 0.33 C ATOM 567 CG LYS A 351 0.134 12.681 6.394 1.00 0.40 C ATOM 568 CD LYS A 351 -0.618 11.402 6.767 1.00 0.45 C ATOM 569 CE LYS A 351 -1.894 11.761 7.531 1.00 0.77 C ATOM 570 NZ LYS A 351 -2.257 10.639 8.442 1.00 1.56 N ATOM 571 H LYS A 351 2.455 12.509 3.089 1.00 0.26 H ATOM 572 HA LYS A 351 0.907 14.401 4.544 1.00 0.31 H ATOM 573 HB2 LYS A 351 0.576 11.879 4.453 1.00 0.35 H ATOM 574 HB3 LYS A 351 1.898 11.745 5.612 1.00 0.38 H ATOM 575 HG2 LYS A 351 0.687 13.038 7.251 1.00 0.53 H ATOM 576 HG3 LYS A 351 -0.573 13.434 6.080 1.00 0.52 H ATOM 577 HD2 LYS A 351 -0.876 10.862 5.867 1.00 0.55 H ATOM 578 HD3 LYS A 351 0.010 10.783 7.389 1.00 0.63 H ATOM 579 HE2 LYS A 351 -1.727 12.656 8.111 1.00 1.30 H ATOM 580 HE3 LYS A 351 -2.698 11.930 6.830 1.00 1.15 H ATOM 581 HZ1 LYS A 351 -1.861 9.751 8.074 1.00 2.14 H ATOM 582 HZ2 LYS A 351 -1.872 10.825 9.391 1.00 2.02 H ATOM 583 HZ3 LYS A 351 -3.292 10.557 8.497 1.00 2.00 H ATOM 584 N ASP A 352 3.866 13.716 5.804 1.00 0.42 N ATOM 585 CA ASP A 352 4.874 14.221 6.778 1.00 0.51 C ATOM 586 C ASP A 352 5.093 15.720 6.560 1.00 0.51 C ATOM 587 O ASP A 352 5.209 16.483 7.498 1.00 0.59 O ATOM 588 CB ASP A 352 6.196 13.479 6.573 1.00 0.58 C ATOM 589 CG ASP A 352 6.074 12.056 7.119 1.00 0.67 C ATOM 590 OD1 ASP A 352 5.104 11.396 6.785 1.00 1.14 O ATOM 591 OD2 ASP A 352 6.952 11.650 7.862 1.00 1.43 O ATOM 592 H ASP A 352 4.095 12.977 5.202 1.00 0.42 H ATOM 593 HA ASP A 352 4.518 14.052 7.783 1.00 0.56 H ATOM 594 HB2 ASP A 352 6.427 13.441 5.518 1.00 0.56 H ATOM 595 HB3 ASP A 352 6.985 13.997 7.096 1.00 0.68 H ATOM 596 N ALA A 353 5.155 16.147 5.328 1.00 0.49 N ATOM 597 CA ALA A 353 5.372 17.596 5.053 1.00 0.56 C ATOM 598 C ALA A 353 4.154 18.396 5.520 1.00 0.56 C ATOM 599 O ALA A 353 4.260 19.554 5.872 1.00 0.66 O ATOM 600 CB ALA A 353 5.574 17.805 3.550 1.00 0.64 C ATOM 601 H ALA A 353 5.062 15.516 4.585 1.00 0.49 H ATOM 602 HA ALA A 353 6.250 17.935 5.583 1.00 0.63 H ATOM 603 HB1 ALA A 353 6.214 17.027 3.161 1.00 1.30 H ATOM 604 HB2 ALA A 353 4.617 17.767 3.050 1.00 1.11 H ATOM 605 HB3 ALA A 353 6.032 18.767 3.379 1.00 1.23 H ATOM 606 N GLN A 354 2.999 17.789 5.528 1.00 0.53 N ATOM 607 CA GLN A 354 1.780 18.519 5.976 1.00 0.62 C ATOM 608 C GLN A 354 1.680 18.457 7.502 1.00 0.68 C ATOM 609 O GLN A 354 0.906 19.166 8.113 1.00 0.88 O ATOM 610 CB GLN A 354 0.541 17.869 5.358 1.00 0.64 C ATOM 611 CG GLN A 354 -0.144 18.864 4.419 1.00 0.97 C ATOM 612 CD GLN A 354 -1.506 18.311 3.996 1.00 0.84 C ATOM 613 OE1 GLN A 354 -2.415 19.062 3.702 1.00 1.18 O ATOM 614 NE2 GLN A 354 -1.687 17.019 3.953 1.00 0.68 N ATOM 615 H GLN A 354 2.934 16.854 5.242 1.00 0.51 H ATOM 616 HA GLN A 354 1.841 19.550 5.661 1.00 0.71 H ATOM 617 HB2 GLN A 354 0.836 16.991 4.801 1.00 0.85 H ATOM 618 HB3 GLN A 354 -0.145 17.585 6.141 1.00 0.89 H ATOM 619 HG2 GLN A 354 -0.280 19.806 4.931 1.00 1.39 H ATOM 620 HG3 GLN A 354 0.469 19.014 3.544 1.00 1.42 H ATOM 621 HE21 GLN A 354 -0.954 16.414 4.190 1.00 0.73 H ATOM 622 HE22 GLN A 354 -2.556 16.655 3.683 1.00 0.79 H ATOM 623 N ALA A 355 2.458 17.612 8.121 1.00 0.70 N ATOM 624 CA ALA A 355 2.410 17.502 9.606 1.00 0.83 C ATOM 625 C ALA A 355 3.074 18.731 10.233 1.00 0.91 C ATOM 626 O ALA A 355 2.564 19.316 11.167 1.00 1.23 O ATOM 627 CB ALA A 355 3.151 16.237 10.044 1.00 1.02 C ATOM 628 H ALA A 355 3.075 17.049 7.609 1.00 0.74 H ATOM 629 HA ALA A 355 1.381 17.446 9.929 1.00 0.95 H ATOM 630 HB1 ALA A 355 3.572 15.749 9.177 1.00 1.52 H ATOM 631 HB2 ALA A 355 3.943 16.501 10.728 1.00 1.58 H ATOM 632 HB3 ALA A 355 2.459 15.567 10.533 1.00 1.31 H ATOM 633 N GLY A 356 4.212 19.124 9.726 1.00 1.03 N ATOM 634 CA GLY A 356 4.917 20.314 10.289 1.00 1.23 C ATOM 635 C GLY A 356 4.315 21.606 9.726 1.00 1.19 C ATOM 636 O GLY A 356 4.896 22.667 9.839 1.00 1.54 O ATOM 637 H GLY A 356 4.606 18.636 8.973 1.00 1.24 H ATOM 638 HA2 GLY A 356 4.817 20.311 11.365 1.00 1.44 H ATOM 639 HA3 GLY A 356 5.963 20.267 10.026 1.00 1.53 H ATOM 640 N LYS A 357 3.162 21.535 9.118 1.00 1.33 N ATOM 641 CA LYS A 357 2.546 22.768 8.552 1.00 1.54 C ATOM 642 C LYS A 357 1.765 23.498 9.646 1.00 1.98 C ATOM 643 O LYS A 357 0.766 23.013 10.140 1.00 2.51 O ATOM 644 CB LYS A 357 1.599 22.388 7.412 1.00 1.88 C ATOM 645 CG LYS A 357 1.623 23.481 6.342 1.00 2.25 C ATOM 646 CD LYS A 357 0.212 23.683 5.784 1.00 2.96 C ATOM 647 CE LYS A 357 0.244 24.754 4.692 1.00 3.50 C ATOM 648 NZ LYS A 357 -1.141 25.009 4.205 1.00 4.18 N ATOM 649 H LYS A 357 2.704 20.675 9.028 1.00 1.62 H ATOM 650 HA LYS A 357 3.323 23.416 8.173 1.00 1.72 H ATOM 651 HB2 LYS A 357 1.918 21.451 6.978 1.00 2.23 H ATOM 652 HB3 LYS A 357 0.596 22.284 7.796 1.00 2.14 H ATOM 653 HG2 LYS A 357 1.973 24.405 6.780 1.00 2.39 H ATOM 654 HG3 LYS A 357 2.285 23.188 5.542 1.00 2.54 H ATOM 655 HD2 LYS A 357 -0.146 22.753 5.368 1.00 3.43 H ATOM 656 HD3 LYS A 357 -0.447 24.001 6.578 1.00 3.17 H ATOM 657 HE2 LYS A 357 0.658 25.666 5.094 1.00 3.67 H ATOM 658 HE3 LYS A 357 0.857 24.412 3.871 1.00 3.76 H ATOM 659 HZ1 LYS A 357 -1.824 24.577 4.859 1.00 4.46 H ATOM 660 HZ2 LYS A 357 -1.310 26.034 4.159 1.00 4.55 H ATOM 661 HZ3 LYS A 357 -1.257 24.594 3.258 1.00 4.44 H ATOM 662 N GLU A 358 2.216 24.661 10.029 1.00 2.43 N ATOM 663 CA GLU A 358 1.505 25.424 11.092 1.00 3.19 C ATOM 664 C GLU A 358 0.008 25.487 10.760 1.00 3.44 C ATOM 665 O GLU A 358 -0.359 25.786 9.641 1.00 3.47 O ATOM 666 CB GLU A 358 2.071 26.845 11.161 1.00 3.91 C ATOM 667 CG GLU A 358 2.237 27.262 12.624 1.00 4.53 C ATOM 668 CD GLU A 358 2.598 28.747 12.693 1.00 5.25 C ATOM 669 OE1 GLU A 358 1.947 29.526 12.015 1.00 5.65 O ATOM 670 OE2 GLU A 358 3.517 29.080 13.422 1.00 5.71 O ATOM 671 H GLU A 358 3.024 25.032 9.618 1.00 2.59 H ATOM 672 HA GLU A 358 1.651 24.933 12.041 1.00 3.49 H ATOM 673 HB2 GLU A 358 3.031 26.873 10.667 1.00 4.22 H ATOM 674 HB3 GLU A 358 1.393 27.527 10.670 1.00 4.17 H ATOM 675 HG2 GLU A 358 1.312 27.092 13.154 1.00 4.65 H ATOM 676 HG3 GLU A 358 3.026 26.681 13.077 1.00 4.78 H ATOM 677 N PRO A 359 -0.816 25.205 11.741 1.00 4.08 N ATOM 678 CA PRO A 359 -2.278 25.228 11.562 1.00 4.74 C ATOM 679 C PRO A 359 -2.736 26.637 11.176 1.00 4.92 C ATOM 680 O PRO A 359 -1.965 27.576 11.189 1.00 4.94 O ATOM 681 CB PRO A 359 -2.849 24.827 12.930 1.00 5.61 C ATOM 682 CG PRO A 359 -1.655 24.581 13.885 1.00 5.57 C ATOM 683 CD PRO A 359 -0.364 24.845 13.097 1.00 4.60 C ATOM 684 HA PRO A 359 -2.579 24.513 10.813 1.00 4.84 H ATOM 685 HB2 PRO A 359 -3.472 25.623 13.314 1.00 6.02 H ATOM 686 HB3 PRO A 359 -3.428 23.921 12.834 1.00 6.09 H ATOM 687 HG2 PRO A 359 -1.716 25.254 14.729 1.00 6.03 H ATOM 688 HG3 PRO A 359 -1.665 23.558 14.230 1.00 6.01 H ATOM 689 HD2 PRO A 359 0.183 25.663 13.542 1.00 4.71 H ATOM 690 HD3 PRO A 359 0.246 23.956 13.062 1.00 4.53 H ATOM 691 N GLY A 360 -3.984 26.791 10.832 1.00 5.45 N ATOM 692 CA GLY A 360 -4.489 28.138 10.445 1.00 5.95 C ATOM 693 C GLY A 360 -5.981 28.236 10.765 1.00 6.77 C ATOM 694 O GLY A 360 -6.401 27.621 11.732 1.00 7.24 O ATOM 695 OXT GLY A 360 -6.679 28.924 10.039 1.00 7.15 O ATOM 696 H GLY A 360 -4.589 26.020 10.828 1.00 5.72 H ATOM 697 HA2 GLY A 360 -3.950 28.896 10.995 1.00 5.99 H ATOM 698 HA3 GLY A 360 -4.341 28.288 9.386 1.00 6.05 H
Nice!