USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 29:sc= 0.0539 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -150:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 12 ASN : amide:sc=-0.00553 X(o=-0.0055,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 24 LYS NZ :NH3+ 134:sc= 0.385 (180deg=-0.00132) USER MOD Single : A 25 HIS : no HD1:sc= -1.83! X(o=-1.8!,f=-2.3) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.102 (180deg=-0.524) USER MOD Single : A 35 SER OG : rot 80:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 ASN : amide:sc= -0.0292 K(o=-0.029,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.0487 K(o=-0.049,f=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0405) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 39:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.485 19.297 -8.088 1.00 0.00 N ATOM 2 CA GLY A 1 12.082 18.372 -9.033 1.00 0.00 C ATOM 3 C GLY A 1 11.103 17.916 -10.096 1.00 0.00 C ATOM 4 O GLY A 1 10.200 17.126 -9.820 1.00 0.00 O ATOM 0 H1 GLY A 1 12.195 19.579 -7.382 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.147 20.140 -8.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.685 18.836 -7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.937 18.848 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.461 17.503 -8.496 1.00 0.00 H new ATOM 8 N SER A 2 11.280 18.416 -11.315 1.00 0.00 N ATOM 9 CA SER A 2 10.401 18.059 -12.423 1.00 0.00 C ATOM 10 C SER A 2 10.078 16.568 -12.402 1.00 0.00 C ATOM 11 O SER A 2 10.926 15.743 -12.062 1.00 0.00 O ATOM 12 CB SER A 2 11.049 18.434 -13.757 1.00 0.00 C ATOM 13 OG SER A 2 11.233 19.835 -13.859 1.00 0.00 O ATOM 0 H SER A 2 12.024 19.069 -11.560 1.00 0.00 H new ATOM 0 HA SER A 2 9.471 18.616 -12.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.011 17.930 -13.852 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.424 18.085 -14.579 1.00 0.00 H new ATOM 0 HG SER A 2 11.650 20.048 -14.720 1.00 0.00 H new ATOM 19 N SER A 3 8.846 16.231 -12.768 1.00 0.00 N ATOM 20 CA SER A 3 8.408 14.840 -12.788 1.00 0.00 C ATOM 21 C SER A 3 8.971 14.111 -14.004 1.00 0.00 C ATOM 22 O SER A 3 8.596 14.394 -15.140 1.00 0.00 O ATOM 23 CB SER A 3 6.880 14.764 -12.796 1.00 0.00 C ATOM 24 OG SER A 3 6.361 14.797 -11.478 1.00 0.00 O ATOM 0 H SER A 3 8.133 16.902 -13.055 1.00 0.00 H new ATOM 0 HA SER A 3 8.784 14.354 -11.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.474 15.597 -13.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.561 13.848 -13.293 1.00 0.00 H new ATOM 0 HG SER A 3 5.383 14.749 -11.510 1.00 0.00 H new ATOM 30 N GLY A 4 9.876 13.169 -13.755 1.00 0.00 N ATOM 31 CA GLY A 4 10.478 12.413 -14.838 1.00 0.00 C ATOM 32 C GLY A 4 10.481 10.921 -14.572 1.00 0.00 C ATOM 33 O GLY A 4 11.424 10.389 -13.986 1.00 0.00 O ATOM 0 H GLY A 4 10.203 12.916 -12.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.935 12.613 -15.762 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.502 12.754 -14.989 1.00 0.00 H new ATOM 37 N SER A 5 9.421 10.242 -15.001 1.00 0.00 N ATOM 38 CA SER A 5 9.303 8.803 -14.801 1.00 0.00 C ATOM 39 C SER A 5 8.204 8.220 -15.685 1.00 0.00 C ATOM 40 O SER A 5 7.089 8.739 -15.731 1.00 0.00 O ATOM 41 CB SER A 5 9.008 8.493 -13.332 1.00 0.00 C ATOM 42 OG SER A 5 7.830 9.150 -12.898 1.00 0.00 O ATOM 0 H SER A 5 8.632 10.666 -15.489 1.00 0.00 H new ATOM 0 HA SER A 5 10.252 8.344 -15.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.898 7.417 -13.199 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.851 8.805 -12.715 1.00 0.00 H new ATOM 0 HG SER A 5 7.222 9.267 -13.658 1.00 0.00 H new ATOM 48 N SER A 6 8.529 7.138 -16.385 1.00 0.00 N ATOM 49 CA SER A 6 7.572 6.486 -17.271 1.00 0.00 C ATOM 50 C SER A 6 7.604 4.972 -17.085 1.00 0.00 C ATOM 51 O SER A 6 8.669 4.356 -17.093 1.00 0.00 O ATOM 52 CB SER A 6 7.873 6.838 -18.729 1.00 0.00 C ATOM 53 OG SER A 6 7.987 8.239 -18.903 1.00 0.00 O ATOM 0 H SER A 6 9.447 6.695 -16.356 1.00 0.00 H new ATOM 0 HA SER A 6 6.575 6.845 -17.016 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.799 6.354 -19.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.081 6.452 -19.370 1.00 0.00 H new ATOM 0 HG SER A 6 8.181 8.437 -19.843 1.00 0.00 H new ATOM 59 N GLY A 7 6.426 4.378 -16.917 1.00 0.00 N ATOM 60 CA GLY A 7 6.340 2.941 -16.730 1.00 0.00 C ATOM 61 C GLY A 7 7.323 2.431 -15.696 1.00 0.00 C ATOM 62 O GLY A 7 8.359 1.859 -16.040 1.00 0.00 O ATOM 0 H GLY A 7 5.530 4.866 -16.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.327 2.677 -16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.526 2.442 -17.681 1.00 0.00 H new ATOM 66 N THR A 8 7.002 2.637 -14.423 1.00 0.00 N ATOM 67 CA THR A 8 7.865 2.197 -13.335 1.00 0.00 C ATOM 68 C THR A 8 7.324 0.931 -12.681 1.00 0.00 C ATOM 69 O THR A 8 6.119 0.681 -12.693 1.00 0.00 O ATOM 70 CB THR A 8 8.019 3.290 -12.261 1.00 0.00 C ATOM 71 OG1 THR A 8 6.737 3.627 -11.718 1.00 0.00 O ATOM 72 CG2 THR A 8 8.670 4.535 -12.845 1.00 0.00 C ATOM 0 H THR A 8 6.149 3.107 -14.120 1.00 0.00 H new ATOM 0 HA THR A 8 8.841 1.988 -13.772 1.00 0.00 H new ATOM 0 HB THR A 8 8.659 2.902 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.739 4.565 -11.433 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.768 5.293 -12.068 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.657 4.282 -13.232 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.052 4.923 -13.654 1.00 0.00 H new ATOM 80 N ALA A 9 8.222 0.135 -12.109 1.00 0.00 N ATOM 81 CA ALA A 9 7.833 -1.104 -11.448 1.00 0.00 C ATOM 82 C ALA A 9 8.182 -1.067 -9.964 1.00 0.00 C ATOM 83 O ALA A 9 8.169 -2.096 -9.289 1.00 0.00 O ATOM 84 CB ALA A 9 8.502 -2.294 -12.120 1.00 0.00 C ATOM 0 H ALA A 9 9.224 0.327 -12.090 1.00 0.00 H new ATOM 0 HA ALA A 9 6.752 -1.211 -11.538 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.202 -3.213 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.199 -2.339 -13.166 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.585 -2.184 -12.060 1.00 0.00 H new ATOM 90 N GLN A 10 8.494 0.124 -9.464 1.00 0.00 N ATOM 91 CA GLN A 10 8.847 0.293 -8.059 1.00 0.00 C ATOM 92 C GLN A 10 7.714 -0.175 -7.152 1.00 0.00 C ATOM 93 O GLN A 10 6.548 -0.210 -7.543 1.00 0.00 O ATOM 94 CB GLN A 10 9.178 1.758 -7.768 1.00 0.00 C ATOM 95 CG GLN A 10 10.647 2.100 -7.961 1.00 0.00 C ATOM 96 CD GLN A 10 10.914 3.590 -7.882 1.00 0.00 C ATOM 97 OE1 GLN A 10 10.324 4.379 -8.621 1.00 0.00 O ATOM 98 NE2 GLN A 10 11.808 3.985 -6.982 1.00 0.00 N ATOM 0 H GLN A 10 8.510 0.985 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 10 9.726 -0.319 -7.855 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.577 2.394 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.891 1.990 -6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.238 1.588 -7.202 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.979 1.726 -8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.274 3.297 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.029 4.976 -6.883 1.00 0.00 H new ATOM 107 N PRO A 11 8.064 -0.543 -5.911 1.00 0.00 N ATOM 108 CA PRO A 11 7.090 -1.016 -4.922 1.00 0.00 C ATOM 109 C PRO A 11 6.169 0.099 -4.437 1.00 0.00 C ATOM 110 O PRO A 11 5.006 -0.141 -4.114 1.00 0.00 O ATOM 111 CB PRO A 11 7.967 -1.522 -3.774 1.00 0.00 C ATOM 112 CG PRO A 11 9.239 -0.756 -3.904 1.00 0.00 C ATOM 113 CD PRO A 11 9.436 -0.527 -5.376 1.00 0.00 C ATOM 0 HA PRO A 11 6.425 -1.775 -5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.495 -1.345 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.141 -2.595 -3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 11 9.181 0.190 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 11 10.075 -1.313 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.932 0.423 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.051 -1.307 -5.825 1.00 0.00 H new ATOM 121 N ASN A 12 6.696 1.317 -4.389 1.00 0.00 N ATOM 122 CA ASN A 12 5.920 2.469 -3.944 1.00 0.00 C ATOM 123 C ASN A 12 5.334 3.223 -5.133 1.00 0.00 C ATOM 124 O ASN A 12 4.126 3.446 -5.205 1.00 0.00 O ATOM 125 CB ASN A 12 6.795 3.409 -3.112 1.00 0.00 C ATOM 126 CG ASN A 12 7.793 2.658 -2.250 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.991 2.938 -2.282 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.301 1.699 -1.475 1.00 0.00 N ATOM 0 H ASN A 12 7.657 1.533 -4.653 1.00 0.00 H new ATOM 0 HA ASN A 12 5.099 2.105 -3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.331 4.086 -3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.159 4.024 -2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.924 1.160 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.300 1.501 -1.481 1.00 0.00 H new ATOM 135 N ALA A 13 6.198 3.612 -6.065 1.00 0.00 N ATOM 136 CA ALA A 13 5.765 4.338 -7.252 1.00 0.00 C ATOM 137 C ALA A 13 4.421 3.821 -7.753 1.00 0.00 C ATOM 138 O ALA A 13 3.484 4.594 -7.955 1.00 0.00 O ATOM 139 CB ALA A 13 6.816 4.231 -8.348 1.00 0.00 C ATOM 0 H ALA A 13 7.202 3.436 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 13 5.642 5.387 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.480 4.778 -9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.755 4.656 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.966 3.183 -8.607 1.00 0.00 H new ATOM 145 N ILE A 14 4.334 2.510 -7.952 1.00 0.00 N ATOM 146 CA ILE A 14 3.103 1.891 -8.428 1.00 0.00 C ATOM 147 C ILE A 14 1.931 2.219 -7.510 1.00 0.00 C ATOM 148 O ILE A 14 0.923 2.776 -7.947 1.00 0.00 O ATOM 149 CB ILE A 14 3.247 0.361 -8.532 1.00 0.00 C ATOM 150 CG1 ILE A 14 4.384 -0.003 -9.489 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.939 -0.264 -8.995 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.848 -1.437 -9.359 1.00 0.00 C ATOM 0 H ILE A 14 5.101 1.857 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 14 2.908 2.298 -9.420 1.00 0.00 H new ATOM 0 HB ILE A 14 3.487 -0.034 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.056 0.173 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.228 0.662 -9.306 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.057 -1.345 -9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.150 -0.029 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.672 0.135 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.655 -1.624 -10.067 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.207 -1.613 -8.345 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.016 -2.109 -9.571 1.00 0.00 H new ATOM 164 N LEU A 15 2.070 1.871 -6.235 1.00 0.00 N ATOM 165 CA LEU A 15 1.023 2.131 -5.253 1.00 0.00 C ATOM 166 C LEU A 15 0.501 3.558 -5.378 1.00 0.00 C ATOM 167 O LEU A 15 -0.698 3.804 -5.249 1.00 0.00 O ATOM 168 CB LEU A 15 1.553 1.891 -3.838 1.00 0.00 C ATOM 169 CG LEU A 15 1.464 0.454 -3.323 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.460 0.229 -2.196 1.00 0.00 C ATOM 171 CD2 LEU A 15 0.050 0.141 -2.858 1.00 0.00 C ATOM 0 H LEU A 15 2.897 1.408 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 15 0.199 1.445 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.597 2.204 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.005 2.536 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 15 1.714 -0.221 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.383 -0.799 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.470 0.412 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.242 0.913 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.005 -0.886 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.228 0.823 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.642 0.261 -3.691 1.00 0.00 H new ATOM 183 N GLU A 16 1.410 4.495 -5.631 1.00 0.00 N ATOM 184 CA GLU A 16 1.039 5.899 -5.774 1.00 0.00 C ATOM 185 C GLU A 16 0.238 6.122 -7.053 1.00 0.00 C ATOM 186 O GLU A 16 -0.685 6.936 -7.087 1.00 0.00 O ATOM 187 CB GLU A 16 2.290 6.781 -5.781 1.00 0.00 C ATOM 188 CG GLU A 16 1.994 8.257 -5.579 1.00 0.00 C ATOM 189 CD GLU A 16 3.239 9.064 -5.268 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.203 8.484 -4.725 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.250 10.277 -5.567 1.00 0.00 O ATOM 0 H GLU A 16 2.407 4.308 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 16 0.415 6.173 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.967 6.444 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.812 6.650 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.522 8.655 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.278 8.372 -4.765 1.00 0.00 H new ATOM 198 N LYS A 17 0.599 5.394 -8.105 1.00 0.00 N ATOM 199 CA LYS A 17 -0.085 5.510 -9.387 1.00 0.00 C ATOM 200 C LYS A 17 -1.490 4.921 -9.310 1.00 0.00 C ATOM 201 O LYS A 17 -2.470 5.578 -9.659 1.00 0.00 O ATOM 202 CB LYS A 17 0.717 4.803 -10.482 1.00 0.00 C ATOM 203 CG LYS A 17 -0.053 4.622 -11.779 1.00 0.00 C ATOM 204 CD LYS A 17 0.677 3.693 -12.735 1.00 0.00 C ATOM 205 CE LYS A 17 0.134 3.812 -14.151 1.00 0.00 C ATOM 206 NZ LYS A 17 1.174 3.503 -15.171 1.00 0.00 N ATOM 0 H LYS A 17 1.362 4.717 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.167 6.569 -9.632 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.623 5.375 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.032 3.825 -10.117 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.042 4.219 -11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.201 5.592 -12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.741 3.928 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.577 2.664 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.709 3.133 -14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.244 4.822 -14.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.765 3.595 -16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.968 4.167 -15.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.516 2.531 -15.034 1.00 0.00 H new ATOM 220 N VAL A 18 -1.580 3.677 -8.850 1.00 0.00 N ATOM 221 CA VAL A 18 -2.865 3.000 -8.725 1.00 0.00 C ATOM 222 C VAL A 18 -3.766 3.711 -7.721 1.00 0.00 C ATOM 223 O VAL A 18 -4.938 3.367 -7.570 1.00 0.00 O ATOM 224 CB VAL A 18 -2.687 1.533 -8.289 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.021 0.933 -7.874 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.050 0.719 -9.405 1.00 0.00 C ATOM 0 H VAL A 18 -0.778 3.118 -8.558 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.332 3.025 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.021 1.507 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.875 -0.103 -7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.432 1.502 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.714 0.970 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.932 -0.315 -9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.688 0.751 -10.288 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.073 1.137 -9.648 1.00 0.00 H new ATOM 236 N PHE A 19 -3.210 4.705 -7.036 1.00 0.00 N ATOM 237 CA PHE A 19 -3.962 5.465 -6.045 1.00 0.00 C ATOM 238 C PHE A 19 -4.822 6.532 -6.716 1.00 0.00 C ATOM 239 O PHE A 19 -5.882 6.902 -6.210 1.00 0.00 O ATOM 240 CB PHE A 19 -3.010 6.119 -5.041 1.00 0.00 C ATOM 241 CG PHE A 19 -3.712 6.925 -3.986 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.228 6.312 -2.857 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.854 8.296 -4.124 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.875 7.051 -1.885 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.500 9.041 -3.155 1.00 0.00 C ATOM 246 CZ PHE A 19 -5.010 8.418 -2.034 1.00 0.00 C ATOM 0 H PHE A 19 -2.241 5.003 -7.149 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.618 4.774 -5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.415 5.344 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.316 6.765 -5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.124 5.244 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.455 8.789 -4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.275 6.561 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.605 10.109 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.514 8.998 -1.275 1.00 0.00 H new ATOM 256 N THR A 20 -4.358 7.024 -7.861 1.00 0.00 N ATOM 257 CA THR A 20 -5.082 8.049 -8.601 1.00 0.00 C ATOM 258 C THR A 20 -5.547 7.524 -9.955 1.00 0.00 C ATOM 259 O THR A 20 -6.685 7.756 -10.363 1.00 0.00 O ATOM 260 CB THR A 20 -4.213 9.302 -8.821 1.00 0.00 C ATOM 261 OG1 THR A 20 -3.297 9.081 -9.899 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.443 9.655 -7.558 1.00 0.00 C ATOM 0 H THR A 20 -3.484 6.729 -8.295 1.00 0.00 H new ATOM 0 HA THR A 20 -5.951 8.319 -8.000 1.00 0.00 H new ATOM 0 HB THR A 20 -4.871 10.134 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.750 9.883 -10.033 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.837 10.543 -7.738 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.144 9.853 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.795 8.823 -7.282 1.00 0.00 H new ATOM 270 N ALA A 21 -4.661 6.815 -10.646 1.00 0.00 N ATOM 271 CA ALA A 21 -4.983 6.254 -11.952 1.00 0.00 C ATOM 272 C ALA A 21 -6.112 5.235 -11.849 1.00 0.00 C ATOM 273 O ALA A 21 -6.813 4.970 -12.827 1.00 0.00 O ATOM 274 CB ALA A 21 -3.748 5.616 -12.571 1.00 0.00 C ATOM 0 H ALA A 21 -3.714 6.615 -10.323 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.320 7.066 -12.596 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.003 5.201 -13.546 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.970 6.370 -12.690 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.386 4.819 -11.921 1.00 0.00 H new ATOM 280 N ILE A 22 -6.283 4.666 -10.661 1.00 0.00 N ATOM 281 CA ILE A 22 -7.328 3.676 -10.431 1.00 0.00 C ATOM 282 C ILE A 22 -8.296 4.139 -9.348 1.00 0.00 C ATOM 283 O ILE A 22 -9.456 4.445 -9.625 1.00 0.00 O ATOM 284 CB ILE A 22 -6.734 2.314 -10.025 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.563 1.950 -10.941 1.00 0.00 C ATOM 286 CG2 ILE A 22 -7.804 1.234 -10.070 1.00 0.00 C ATOM 287 CD1 ILE A 22 -5.983 1.619 -12.356 1.00 0.00 C ATOM 0 H ILE A 22 -5.711 4.874 -9.842 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.867 3.562 -11.372 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.362 2.387 -9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.859 2.782 -10.965 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.034 1.096 -10.519 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.368 0.278 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.608 1.490 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.203 1.159 -11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.102 1.371 -12.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.664 0.768 -12.344 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.486 2.480 -12.797 1.00 0.00 H new ATOM 299 N THR A 23 -7.811 4.190 -8.111 1.00 0.00 N ATOM 300 CA THR A 23 -8.632 4.617 -6.985 1.00 0.00 C ATOM 301 C THR A 23 -7.801 4.733 -5.712 1.00 0.00 C ATOM 302 O THR A 23 -6.783 4.058 -5.558 1.00 0.00 O ATOM 303 CB THR A 23 -9.796 3.640 -6.737 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.604 4.107 -5.650 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.276 2.245 -6.426 1.00 0.00 C ATOM 0 H THR A 23 -6.853 3.941 -7.864 1.00 0.00 H new ATOM 0 HA THR A 23 -9.037 5.596 -7.242 1.00 0.00 H new ATOM 0 HB THR A 23 -10.399 3.591 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.343 3.481 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.117 1.573 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.686 1.881 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.652 2.280 -5.533 1.00 0.00 H new ATOM 313 N LYS A 24 -8.242 5.593 -4.800 1.00 0.00 N ATOM 314 CA LYS A 24 -7.541 5.798 -3.538 1.00 0.00 C ATOM 315 C LYS A 24 -7.930 4.729 -2.521 1.00 0.00 C ATOM 316 O LYS A 24 -7.199 4.475 -1.563 1.00 0.00 O ATOM 317 CB LYS A 24 -7.851 7.187 -2.977 1.00 0.00 C ATOM 318 CG LYS A 24 -7.691 8.303 -3.995 1.00 0.00 C ATOM 319 CD LYS A 24 -7.985 9.663 -3.383 1.00 0.00 C ATOM 320 CE LYS A 24 -7.945 10.766 -4.430 1.00 0.00 C ATOM 321 NZ LYS A 24 -6.551 11.194 -4.732 1.00 0.00 N ATOM 0 H LYS A 24 -9.083 6.160 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.471 5.722 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.873 7.197 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.194 7.382 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.675 8.293 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.362 8.129 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.966 9.645 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.257 9.876 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.424 10.416 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.519 11.623 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.424 11.262 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.371 12.122 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.883 10.497 -4.346 1.00 0.00 H new ATOM 335 N HIS A 25 -9.084 4.106 -2.736 1.00 0.00 N ATOM 336 CA HIS A 25 -9.568 3.063 -1.838 1.00 0.00 C ATOM 337 C HIS A 25 -9.701 1.732 -2.573 1.00 0.00 C ATOM 338 O HIS A 25 -10.797 1.298 -2.926 1.00 0.00 O ATOM 339 CB HIS A 25 -10.915 3.464 -1.237 1.00 0.00 C ATOM 340 CG HIS A 25 -10.900 4.806 -0.573 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.167 5.074 0.564 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.531 5.960 -0.893 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.350 6.335 0.916 1.00 0.00 C ATOM 344 NE2 HIS A 25 -11.173 6.894 0.047 1.00 0.00 N ATOM 0 H HIS A 25 -9.701 4.305 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.841 2.943 -1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.669 3.466 -2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.217 2.711 -0.509 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -12.193 6.117 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.903 6.825 1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.491 7.863 0.071 1.00 0.00 H new ATOM 353 N PRO A 26 -8.559 1.070 -2.810 1.00 0.00 N ATOM 354 CA PRO A 26 -8.522 -0.220 -3.505 1.00 0.00 C ATOM 355 C PRO A 26 -9.117 -1.347 -2.667 1.00 0.00 C ATOM 356 O PRO A 26 -8.666 -1.609 -1.552 1.00 0.00 O ATOM 357 CB PRO A 26 -7.027 -0.456 -3.735 1.00 0.00 C ATOM 358 CG PRO A 26 -6.351 0.324 -2.661 1.00 0.00 C ATOM 359 CD PRO A 26 -7.216 1.529 -2.417 1.00 0.00 C ATOM 0 HA PRO A 26 -9.111 -0.206 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.779 -1.515 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.720 -0.116 -4.724 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.246 -0.271 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.347 0.620 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.187 1.840 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.893 2.383 -3.012 1.00 0.00 H new ATOM 367 N ASP A 27 -10.131 -2.011 -3.212 1.00 0.00 N ATOM 368 CA ASP A 27 -10.786 -3.111 -2.515 1.00 0.00 C ATOM 369 C ASP A 27 -9.866 -4.325 -2.428 1.00 0.00 C ATOM 370 O ASP A 27 -8.853 -4.397 -3.122 1.00 0.00 O ATOM 371 CB ASP A 27 -12.086 -3.491 -3.226 1.00 0.00 C ATOM 372 CG ASP A 27 -13.242 -2.590 -2.840 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.220 -1.401 -3.222 1.00 0.00 O ATOM 374 OD2 ASP A 27 -14.169 -3.072 -2.156 1.00 0.00 O ATOM 0 H ASP A 27 -10.517 -1.806 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.017 -2.780 -1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.935 -3.441 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.339 -4.524 -2.987 1.00 0.00 H new ATOM 379 N GLU A 28 -10.226 -5.274 -1.569 1.00 0.00 N ATOM 380 CA GLU A 28 -9.431 -6.483 -1.391 1.00 0.00 C ATOM 381 C GLU A 28 -9.014 -7.064 -2.739 1.00 0.00 C ATOM 382 O GLU A 28 -7.862 -7.455 -2.931 1.00 0.00 O ATOM 383 CB GLU A 28 -10.219 -7.526 -0.596 1.00 0.00 C ATOM 384 CG GLU A 28 -9.400 -8.749 -0.218 1.00 0.00 C ATOM 385 CD GLU A 28 -10.039 -9.557 0.895 1.00 0.00 C ATOM 386 OE1 GLU A 28 -9.955 -9.128 2.064 1.00 0.00 O ATOM 387 OE2 GLU A 28 -10.623 -10.620 0.595 1.00 0.00 O ATOM 0 H GLU A 28 -11.062 -5.229 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.532 -6.217 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.605 -7.063 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.081 -7.843 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.274 -9.383 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.404 -8.433 0.093 1.00 0.00 H new ATOM 394 N LYS A 29 -9.959 -7.118 -3.671 1.00 0.00 N ATOM 395 CA LYS A 29 -9.692 -7.650 -5.002 1.00 0.00 C ATOM 396 C LYS A 29 -8.676 -6.785 -5.740 1.00 0.00 C ATOM 397 O LYS A 29 -7.726 -7.296 -6.333 1.00 0.00 O ATOM 398 CB LYS A 29 -10.990 -7.732 -5.810 1.00 0.00 C ATOM 399 CG LYS A 29 -11.674 -6.390 -6.001 1.00 0.00 C ATOM 400 CD LYS A 29 -11.199 -5.696 -7.266 1.00 0.00 C ATOM 401 CE LYS A 29 -12.058 -6.071 -8.464 1.00 0.00 C ATOM 402 NZ LYS A 29 -13.454 -5.570 -8.323 1.00 0.00 N ATOM 0 H LYS A 29 -10.918 -6.800 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.276 -8.651 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.773 -8.162 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.678 -8.413 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.753 -6.534 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.475 -5.753 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.226 -4.616 -7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.161 -5.966 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.615 -5.661 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.071 -7.155 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.879 -5.456 -9.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.013 -6.252 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.446 -4.652 -7.833 1.00 0.00 H new ATOM 416 N ARG A 30 -8.881 -5.472 -5.698 1.00 0.00 N ATOM 417 CA ARG A 30 -7.981 -4.537 -6.363 1.00 0.00 C ATOM 418 C ARG A 30 -6.576 -4.621 -5.773 1.00 0.00 C ATOM 419 O ARG A 30 -5.582 -4.511 -6.491 1.00 0.00 O ATOM 420 CB ARG A 30 -8.514 -3.108 -6.238 1.00 0.00 C ATOM 421 CG ARG A 30 -8.132 -2.212 -7.405 1.00 0.00 C ATOM 422 CD ARG A 30 -6.810 -1.503 -7.153 1.00 0.00 C ATOM 423 NE ARG A 30 -6.088 -1.235 -8.394 1.00 0.00 N ATOM 424 CZ ARG A 30 -5.582 -2.187 -9.170 1.00 0.00 C ATOM 425 NH1 ARG A 30 -5.720 -3.463 -8.835 1.00 0.00 N ATOM 426 NH2 ARG A 30 -4.937 -1.864 -10.284 1.00 0.00 N ATOM 0 H ARG A 30 -9.662 -5.032 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.930 -4.808 -7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.600 -3.140 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.137 -2.668 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.059 -2.808 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.917 -1.474 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.996 -0.564 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.190 -2.114 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.966 -0.264 -8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.216 -3.715 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.331 -4.192 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.829 -0.884 -10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.549 -2.596 -10.879 1.00 0.00 H new ATOM 440 N LEU A 31 -6.502 -4.815 -4.461 1.00 0.00 N ATOM 441 CA LEU A 31 -5.220 -4.914 -3.773 1.00 0.00 C ATOM 442 C LEU A 31 -4.489 -6.194 -4.164 1.00 0.00 C ATOM 443 O LEU A 31 -3.270 -6.196 -4.336 1.00 0.00 O ATOM 444 CB LEU A 31 -5.426 -4.874 -2.258 1.00 0.00 C ATOM 445 CG LEU A 31 -6.015 -3.580 -1.695 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.830 -3.865 -0.443 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.910 -2.577 -1.397 1.00 0.00 C ATOM 0 H LEU A 31 -7.315 -4.907 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.609 -4.062 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.081 -5.699 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.465 -5.052 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.678 -3.148 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.241 -2.932 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.644 -4.547 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.189 -4.320 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.347 -1.662 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.222 -3.000 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.368 -2.349 -2.315 1.00 0.00 H new ATOM 459 N GLU A 32 -5.242 -7.280 -4.306 1.00 0.00 N ATOM 460 CA GLU A 32 -4.665 -8.566 -4.679 1.00 0.00 C ATOM 461 C GLU A 32 -3.734 -8.417 -5.878 1.00 0.00 C ATOM 462 O GLU A 32 -2.714 -9.099 -5.975 1.00 0.00 O ATOM 463 CB GLU A 32 -5.772 -9.573 -4.999 1.00 0.00 C ATOM 464 CG GLU A 32 -6.251 -10.356 -3.789 1.00 0.00 C ATOM 465 CD GLU A 32 -7.218 -11.465 -4.157 1.00 0.00 C ATOM 466 OE1 GLU A 32 -8.051 -11.250 -5.063 1.00 0.00 O ATOM 467 OE2 GLU A 32 -7.142 -12.547 -3.540 1.00 0.00 O ATOM 0 H GLU A 32 -6.253 -7.295 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.083 -8.934 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.618 -9.043 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.409 -10.272 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.391 -10.785 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.734 -9.675 -3.088 1.00 0.00 H new ATOM 474 N GLY A 33 -4.094 -7.521 -6.792 1.00 0.00 N ATOM 475 CA GLY A 33 -3.282 -7.299 -7.974 1.00 0.00 C ATOM 476 C GLY A 33 -1.903 -6.767 -7.638 1.00 0.00 C ATOM 477 O GLY A 33 -0.900 -7.235 -8.178 1.00 0.00 O ATOM 0 H GLY A 33 -4.934 -6.945 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.183 -8.235 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.789 -6.594 -8.633 1.00 0.00 H new ATOM 481 N LEU A 34 -1.851 -5.784 -6.745 1.00 0.00 N ATOM 482 CA LEU A 34 -0.584 -5.186 -6.339 1.00 0.00 C ATOM 483 C LEU A 34 0.298 -6.208 -5.630 1.00 0.00 C ATOM 484 O LEU A 34 1.523 -6.176 -5.751 1.00 0.00 O ATOM 485 CB LEU A 34 -0.835 -3.988 -5.421 1.00 0.00 C ATOM 486 CG LEU A 34 -1.009 -2.636 -6.115 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.448 -1.577 -5.116 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.282 -2.220 -6.804 1.00 0.00 C ATOM 0 H LEU A 34 -2.671 -5.385 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.066 -4.847 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.729 -4.189 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.002 -3.911 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.786 -2.735 -6.873 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.567 -0.622 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.398 -1.870 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.694 -1.479 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.139 -1.256 -7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.079 -2.138 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.554 -2.968 -7.549 1.00 0.00 H new ATOM 500 N SER A 35 -0.333 -7.116 -4.892 1.00 0.00 N ATOM 501 CA SER A 35 0.395 -8.147 -4.162 1.00 0.00 C ATOM 502 C SER A 35 1.544 -8.698 -5.001 1.00 0.00 C ATOM 503 O SER A 35 2.630 -8.968 -4.487 1.00 0.00 O ATOM 504 CB SER A 35 -0.550 -9.282 -3.762 1.00 0.00 C ATOM 505 OG SER A 35 0.161 -10.349 -3.157 1.00 0.00 O ATOM 0 H SER A 35 -1.346 -7.158 -4.784 1.00 0.00 H new ATOM 0 HA SER A 35 0.810 -7.695 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.304 -8.905 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.079 -9.646 -4.643 1.00 0.00 H new ATOM 0 HG SER A 35 0.353 -10.126 -2.222 1.00 0.00 H new ATOM 511 N LYS A 36 1.296 -8.864 -6.296 1.00 0.00 N ATOM 512 CA LYS A 36 2.308 -9.381 -7.209 1.00 0.00 C ATOM 513 C LYS A 36 3.451 -8.385 -7.376 1.00 0.00 C ATOM 514 O LYS A 36 4.580 -8.647 -6.961 1.00 0.00 O ATOM 515 CB LYS A 36 1.684 -9.691 -8.571 1.00 0.00 C ATOM 516 CG LYS A 36 2.682 -10.205 -9.595 1.00 0.00 C ATOM 517 CD LYS A 36 3.190 -11.591 -9.232 1.00 0.00 C ATOM 518 CE LYS A 36 2.178 -12.667 -9.592 1.00 0.00 C ATOM 519 NZ LYS A 36 2.826 -13.992 -9.798 1.00 0.00 N ATOM 0 H LYS A 36 0.402 -8.648 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 36 2.711 -10.300 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.896 -10.433 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.211 -8.789 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.213 -10.234 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.523 -9.515 -9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.128 -11.784 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.403 -11.633 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.434 -12.746 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.647 -12.377 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.102 -14.698 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.518 -13.924 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.311 -14.281 -8.925 1.00 0.00 H new ATOM 533 N GLN A 37 3.150 -7.242 -7.984 1.00 0.00 N ATOM 534 CA GLN A 37 4.153 -6.207 -8.205 1.00 0.00 C ATOM 535 C GLN A 37 4.923 -5.913 -6.921 1.00 0.00 C ATOM 536 O GLN A 37 6.149 -6.024 -6.881 1.00 0.00 O ATOM 537 CB GLN A 37 3.491 -4.928 -8.721 1.00 0.00 C ATOM 538 CG GLN A 37 2.715 -5.124 -10.013 1.00 0.00 C ATOM 539 CD GLN A 37 2.382 -3.813 -10.698 1.00 0.00 C ATOM 540 OE1 GLN A 37 3.165 -3.301 -11.499 1.00 0.00 O ATOM 541 NE2 GLN A 37 1.214 -3.262 -10.387 1.00 0.00 N ATOM 0 H GLN A 37 2.220 -7.009 -8.332 1.00 0.00 H new ATOM 0 HA GLN A 37 4.856 -6.571 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.816 -4.544 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.258 -4.170 -8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.298 -5.746 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.792 -5.663 -9.800 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.596 -3.721 -9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.935 -2.380 -10.817 1.00 0.00 H new ATOM 550 N LEU A 38 4.196 -5.537 -5.875 1.00 0.00 N ATOM 551 CA LEU A 38 4.811 -5.226 -4.589 1.00 0.00 C ATOM 552 C LEU A 38 5.424 -6.474 -3.962 1.00 0.00 C ATOM 553 O LEU A 38 6.401 -6.392 -3.219 1.00 0.00 O ATOM 554 CB LEU A 38 3.775 -4.621 -3.639 1.00 0.00 C ATOM 555 CG LEU A 38 2.862 -3.550 -4.237 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.906 -3.015 -3.182 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.686 -2.419 -4.835 1.00 0.00 C ATOM 0 H LEU A 38 3.181 -5.440 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 38 5.606 -4.500 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.151 -5.427 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.301 -4.188 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 38 2.274 -4.005 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.264 -2.254 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.292 -3.831 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.476 -2.577 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.019 -1.666 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.300 -1.966 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.329 -2.814 -5.621 1.00 0.00 H new ATOM 569 N ASP A 39 4.844 -7.629 -4.269 1.00 0.00 N ATOM 570 CA ASP A 39 5.335 -8.896 -3.739 1.00 0.00 C ATOM 571 C ASP A 39 5.001 -9.030 -2.257 1.00 0.00 C ATOM 572 O ASP A 39 5.699 -9.721 -1.514 1.00 0.00 O ATOM 573 CB ASP A 39 6.846 -9.009 -3.947 1.00 0.00 C ATOM 574 CG ASP A 39 7.310 -10.449 -4.048 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.642 -11.240 -4.746 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.341 -10.785 -3.428 1.00 0.00 O ATOM 0 H ASP A 39 4.033 -7.714 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 39 4.841 -9.704 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.126 -8.476 -4.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.361 -8.521 -3.119 1.00 0.00 H new ATOM 581 N TRP A 40 3.933 -8.366 -1.834 1.00 0.00 N ATOM 582 CA TRP A 40 3.508 -8.410 -0.439 1.00 0.00 C ATOM 583 C TRP A 40 2.147 -9.084 -0.306 1.00 0.00 C ATOM 584 O TRP A 40 1.588 -9.574 -1.287 1.00 0.00 O ATOM 585 CB TRP A 40 3.450 -6.997 0.143 1.00 0.00 C ATOM 586 CG TRP A 40 4.655 -6.169 -0.186 1.00 0.00 C ATOM 587 CD1 TRP A 40 5.888 -6.627 -0.554 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.742 -4.740 -0.175 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.737 -5.568 -0.773 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.058 -4.400 -0.548 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.837 -3.714 0.111 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.487 -3.078 -0.639 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.265 -2.404 0.020 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.580 -2.095 -0.353 1.00 0.00 C ATOM 0 H TRP A 40 3.345 -7.790 -2.436 1.00 0.00 H new ATOM 0 HA TRP A 40 4.239 -8.995 0.119 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.559 -6.494 -0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.347 -7.062 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.157 -7.668 -0.658 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.714 -5.640 -1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.821 -3.942 0.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.500 -2.838 -0.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.574 -1.604 0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.883 -1.060 -0.416 1.00 0.00 H new ATOM 605 N ASP A 41 1.618 -9.105 0.913 1.00 0.00 N ATOM 606 CA ASP A 41 0.321 -9.718 1.174 1.00 0.00 C ATOM 607 C ASP A 41 -0.794 -8.679 1.109 1.00 0.00 C ATOM 608 O ASP A 41 -0.608 -7.528 1.503 1.00 0.00 O ATOM 609 CB ASP A 41 0.321 -10.399 2.543 1.00 0.00 C ATOM 610 CG ASP A 41 0.801 -11.836 2.475 1.00 0.00 C ATOM 611 OD1 ASP A 41 0.556 -12.495 1.443 1.00 0.00 O ATOM 612 OD2 ASP A 41 1.422 -12.301 3.454 1.00 0.00 O ATOM 0 H ASP A 41 2.068 -8.704 1.736 1.00 0.00 H new ATOM 0 HA ASP A 41 0.140 -10.468 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.960 -9.838 3.225 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.687 -10.375 2.958 1.00 0.00 H new ATOM 617 N VAL A 42 -1.953 -9.093 0.607 1.00 0.00 N ATOM 618 CA VAL A 42 -3.098 -8.199 0.489 1.00 0.00 C ATOM 619 C VAL A 42 -3.209 -7.285 1.705 1.00 0.00 C ATOM 620 O VAL A 42 -3.740 -6.178 1.615 1.00 0.00 O ATOM 621 CB VAL A 42 -4.412 -8.987 0.332 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.562 -8.049 -0.003 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.264 -10.063 -0.733 1.00 0.00 C ATOM 0 H VAL A 42 -2.124 -10.042 0.275 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.937 -7.594 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.637 -9.475 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.482 -8.624 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.682 -7.319 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.348 -7.530 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.202 -10.610 -0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.014 -9.599 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.470 -10.753 -0.446 1.00 0.00 H new ATOM 633 N ARG A 43 -2.704 -7.757 2.840 1.00 0.00 N ATOM 634 CA ARG A 43 -2.746 -6.982 4.075 1.00 0.00 C ATOM 635 C ARG A 43 -1.607 -5.968 4.120 1.00 0.00 C ATOM 636 O ARG A 43 -1.815 -4.800 4.447 1.00 0.00 O ATOM 637 CB ARG A 43 -2.665 -7.911 5.287 1.00 0.00 C ATOM 638 CG ARG A 43 -3.903 -8.771 5.480 1.00 0.00 C ATOM 639 CD ARG A 43 -3.573 -10.070 6.199 1.00 0.00 C ATOM 640 NE ARG A 43 -3.497 -9.891 7.646 1.00 0.00 N ATOM 641 CZ ARG A 43 -4.563 -9.784 8.431 1.00 0.00 C ATOM 642 NH1 ARG A 43 -5.781 -9.837 7.910 1.00 0.00 N ATOM 643 NH2 ARG A 43 -4.412 -9.623 9.739 1.00 0.00 N ATOM 0 H ARG A 43 -2.261 -8.671 2.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.692 -6.441 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.796 -8.560 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.506 -7.312 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.647 -8.216 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.347 -8.994 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.332 -10.816 5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.622 -10.456 5.831 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.574 -9.846 8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.901 -9.960 6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.598 -9.755 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.476 -9.581 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.232 -9.541 10.341 1.00 0.00 H new ATOM 657 N SER A 44 -0.403 -6.423 3.790 1.00 0.00 N ATOM 658 CA SER A 44 0.770 -5.557 3.797 1.00 0.00 C ATOM 659 C SER A 44 0.567 -4.359 2.874 1.00 0.00 C ATOM 660 O SER A 44 1.117 -3.283 3.106 1.00 0.00 O ATOM 661 CB SER A 44 2.012 -6.341 3.367 1.00 0.00 C ATOM 662 OG SER A 44 2.385 -7.286 4.354 1.00 0.00 O ATOM 0 H SER A 44 -0.214 -7.387 3.514 1.00 0.00 H new ATOM 0 HA SER A 44 0.914 -5.191 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.815 -6.853 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.837 -5.652 3.189 1.00 0.00 H new ATOM 0 HG SER A 44 3.180 -7.775 4.055 1.00 0.00 H new ATOM 668 N ILE A 45 -0.228 -4.555 1.827 1.00 0.00 N ATOM 669 CA ILE A 45 -0.505 -3.492 0.870 1.00 0.00 C ATOM 670 C ILE A 45 -1.380 -2.408 1.491 1.00 0.00 C ATOM 671 O ILE A 45 -1.008 -1.235 1.512 1.00 0.00 O ATOM 672 CB ILE A 45 -1.202 -4.037 -0.391 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.422 -5.226 -0.957 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.338 -2.940 -1.437 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.080 -5.862 -2.161 1.00 0.00 C ATOM 0 H ILE A 45 -0.691 -5.440 1.621 1.00 0.00 H new ATOM 0 HA ILE A 45 0.457 -3.063 0.588 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.201 -4.378 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.579 -4.895 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.306 -5.978 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.832 -3.340 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.930 -2.121 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.349 -2.572 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.472 -6.697 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.071 -6.224 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.172 -5.124 -2.958 1.00 0.00 H new ATOM 687 N GLN A 46 -2.541 -2.809 1.996 1.00 0.00 N ATOM 688 CA GLN A 46 -3.468 -1.871 2.619 1.00 0.00 C ATOM 689 C GLN A 46 -2.737 -0.943 3.584 1.00 0.00 C ATOM 690 O GLN A 46 -3.083 0.231 3.714 1.00 0.00 O ATOM 691 CB GLN A 46 -4.572 -2.628 3.359 1.00 0.00 C ATOM 692 CG GLN A 46 -5.688 -3.118 2.451 1.00 0.00 C ATOM 693 CD GLN A 46 -6.806 -3.800 3.215 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.981 -3.478 3.038 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.445 -4.749 4.071 1.00 0.00 N ATOM 0 H GLN A 46 -2.863 -3.777 1.986 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.917 -1.266 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.133 -3.482 3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.997 -1.978 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.096 -2.274 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.277 -3.813 1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.459 -4.984 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.154 -5.243 4.613 1.00 0.00 H new ATOM 704 N ARG A 47 -1.724 -1.478 4.258 1.00 0.00 N ATOM 705 CA ARG A 47 -0.945 -0.698 5.212 1.00 0.00 C ATOM 706 C ARG A 47 -0.403 0.572 4.562 1.00 0.00 C ATOM 707 O ARG A 47 -0.438 1.649 5.157 1.00 0.00 O ATOM 708 CB ARG A 47 0.211 -1.534 5.764 1.00 0.00 C ATOM 709 CG ARG A 47 -0.241 -2.737 6.577 1.00 0.00 C ATOM 710 CD ARG A 47 0.939 -3.594 7.006 1.00 0.00 C ATOM 711 NE ARG A 47 1.546 -3.110 8.243 1.00 0.00 N ATOM 712 CZ ARG A 47 1.023 -3.311 9.447 1.00 0.00 C ATOM 713 NH1 ARG A 47 -0.112 -3.984 9.576 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.635 -2.838 10.525 1.00 0.00 N ATOM 0 H ARG A 47 -1.424 -2.448 4.161 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.603 -0.413 6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.828 -1.878 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.841 -0.900 6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.786 -2.398 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.933 -3.338 5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.608 -4.624 7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.688 -3.602 6.214 1.00 0.00 H new ATOM 0 HE ARG A 47 2.420 -2.589 8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.585 -4.349 8.749 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.512 -4.137 10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.508 -2.319 10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.232 -2.993 11.449 1.00 0.00 H new ATOM 728 N TRP A 48 0.098 0.437 3.340 1.00 0.00 N ATOM 729 CA TRP A 48 0.648 1.573 2.610 1.00 0.00 C ATOM 730 C TRP A 48 -0.451 2.559 2.228 1.00 0.00 C ATOM 731 O TRP A 48 -0.293 3.770 2.382 1.00 0.00 O ATOM 732 CB TRP A 48 1.379 1.094 1.354 1.00 0.00 C ATOM 733 CG TRP A 48 2.121 2.186 0.645 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.452 2.473 0.748 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.573 3.137 -0.274 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.765 3.546 -0.052 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.629 3.971 -0.690 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.293 3.365 -0.788 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.443 5.013 -1.594 1.00 0.00 C ATOM 740 CZ3 TRP A 48 0.110 4.400 -1.684 1.00 0.00 C ATOM 741 CH2 TRP A 48 1.180 5.213 -2.080 1.00 0.00 C ATOM 0 H TRP A 48 0.135 -0.448 2.834 1.00 0.00 H new ATOM 0 HA TRP A 48 1.357 2.083 3.262 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.081 0.307 1.629 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.656 0.651 0.668 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.155 1.936 1.367 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.692 3.959 -0.154 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.538 2.743 -0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.266 5.641 -1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.875 4.586 -2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.004 6.014 -2.783 1.00 0.00 H new ATOM 752 N PHE A 49 -1.565 2.032 1.730 1.00 0.00 N ATOM 753 CA PHE A 49 -2.690 2.866 1.325 1.00 0.00 C ATOM 754 C PHE A 49 -3.265 3.621 2.521 1.00 0.00 C ATOM 755 O PHE A 49 -3.275 4.852 2.546 1.00 0.00 O ATOM 756 CB PHE A 49 -3.779 2.011 0.676 1.00 0.00 C ATOM 757 CG PHE A 49 -3.550 1.757 -0.787 1.00 0.00 C ATOM 758 CD1 PHE A 49 -3.698 2.777 -1.712 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.186 0.498 -1.236 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.488 2.546 -3.058 1.00 0.00 C ATOM 761 CE2 PHE A 49 -2.974 0.260 -2.581 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.125 1.286 -3.493 1.00 0.00 C ATOM 0 H PHE A 49 -1.712 1.031 1.597 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.328 3.593 0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.839 1.056 1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.742 2.505 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.981 3.764 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.066 -0.307 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.608 3.350 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.691 -0.726 -2.918 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.960 1.104 -4.545 1.00 0.00 H new ATOM 772 N ARG A 50 -3.745 2.873 3.509 1.00 0.00 N ATOM 773 CA ARG A 50 -4.323 3.470 4.707 1.00 0.00 C ATOM 774 C ARG A 50 -3.446 4.605 5.227 1.00 0.00 C ATOM 775 O ARG A 50 -3.943 5.573 5.800 1.00 0.00 O ATOM 776 CB ARG A 50 -4.503 2.410 5.795 1.00 0.00 C ATOM 777 CG ARG A 50 -3.192 1.875 6.347 1.00 0.00 C ATOM 778 CD ARG A 50 -3.426 0.786 7.382 1.00 0.00 C ATOM 779 NE ARG A 50 -4.245 1.255 8.495 1.00 0.00 N ATOM 780 CZ ARG A 50 -4.961 0.450 9.272 1.00 0.00 C ATOM 781 NH1 ARG A 50 -4.957 -0.859 9.058 1.00 0.00 N ATOM 782 NH2 ARG A 50 -5.682 0.953 10.266 1.00 0.00 N ATOM 0 H ARG A 50 -3.745 1.853 3.504 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.298 3.880 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.085 2.836 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.082 1.580 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.587 1.479 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.626 2.690 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.913 -0.066 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.467 0.434 7.761 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.269 2.256 8.687 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.403 -1.249 8.295 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.508 -1.475 9.656 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.687 1.959 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.231 0.334 10.862 1.00 0.00 H new ATOM 796 N GLN A 51 -2.139 4.476 5.024 1.00 0.00 N ATOM 797 CA GLN A 51 -1.192 5.490 5.474 1.00 0.00 C ATOM 798 C GLN A 51 -1.098 6.632 4.467 1.00 0.00 C ATOM 799 O GLN A 51 -0.931 7.792 4.844 1.00 0.00 O ATOM 800 CB GLN A 51 0.189 4.869 5.690 1.00 0.00 C ATOM 801 CG GLN A 51 0.270 3.978 6.919 1.00 0.00 C ATOM 802 CD GLN A 51 1.624 3.312 7.067 1.00 0.00 C ATOM 803 OE1 GLN A 51 2.158 2.745 6.113 1.00 0.00 O ATOM 804 NE2 GLN A 51 2.187 3.376 8.268 1.00 0.00 N ATOM 0 H GLN A 51 -1.712 3.680 4.551 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.553 5.893 6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.457 4.285 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.927 5.666 5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.062 4.572 7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.503 3.212 6.860 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.709 3.856 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.098 2.945 8.428 1.00 0.00 H new ATOM 813 N ARG A 52 -1.207 6.295 3.186 1.00 0.00 N ATOM 814 CA ARG A 52 -1.132 7.292 2.125 1.00 0.00 C ATOM 815 C ARG A 52 -2.301 8.268 2.214 1.00 0.00 C ATOM 816 O ARG A 52 -2.105 9.479 2.317 1.00 0.00 O ATOM 817 CB ARG A 52 -1.126 6.610 0.755 1.00 0.00 C ATOM 818 CG ARG A 52 -0.971 7.579 -0.406 1.00 0.00 C ATOM 819 CD ARG A 52 0.408 8.218 -0.418 1.00 0.00 C ATOM 820 NE ARG A 52 0.498 9.308 -1.386 1.00 0.00 N ATOM 821 CZ ARG A 52 1.397 10.283 -1.315 1.00 0.00 C ATOM 822 NH1 ARG A 52 2.280 10.304 -0.325 1.00 0.00 N ATOM 823 NH2 ARG A 52 1.416 11.239 -2.234 1.00 0.00 N ATOM 0 H ARG A 52 -1.347 5.339 2.858 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.204 7.850 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.313 5.885 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.055 6.053 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.137 7.052 -1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.733 8.356 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.641 8.597 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.156 7.461 -0.654 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.167 9.321 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.269 9.570 0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.970 11.054 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.739 11.226 -2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.107 11.987 -2.178 1.00 0.00 H new ATOM 837 N ARG A 53 -3.517 7.733 2.172 1.00 0.00 N ATOM 838 CA ARG A 53 -4.718 8.557 2.246 1.00 0.00 C ATOM 839 C ARG A 53 -4.563 9.651 3.299 1.00 0.00 C ATOM 840 O ARG A 53 -4.781 10.829 3.022 1.00 0.00 O ATOM 841 CB ARG A 53 -5.937 7.692 2.569 1.00 0.00 C ATOM 842 CG ARG A 53 -6.177 6.577 1.564 1.00 0.00 C ATOM 843 CD ARG A 53 -7.144 5.537 2.106 1.00 0.00 C ATOM 844 NE ARG A 53 -6.914 4.218 1.522 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.575 3.126 1.889 1.00 0.00 C ATOM 846 NH1 ARG A 53 -8.502 3.195 2.834 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.308 1.962 1.310 1.00 0.00 N ATOM 0 H ARG A 53 -3.697 6.733 2.087 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.864 9.030 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.810 7.255 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.822 8.327 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.574 6.998 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.229 6.100 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.041 5.477 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.167 5.851 1.900 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.207 4.131 0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.709 4.088 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.008 2.355 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.595 1.906 0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.816 1.124 1.592 1.00 0.00 H new ATOM 861 N ASN A 54 -4.185 9.250 4.509 1.00 0.00 N ATOM 862 CA ASN A 54 -4.002 10.196 5.604 1.00 0.00 C ATOM 863 C ASN A 54 -3.325 11.472 5.114 1.00 0.00 C ATOM 864 O ASN A 54 -3.815 12.576 5.352 1.00 0.00 O ATOM 865 CB ASN A 54 -3.170 9.561 6.720 1.00 0.00 C ATOM 866 CG ASN A 54 -3.356 10.262 8.052 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.821 11.401 8.106 1.00 0.00 O ATOM 868 ND2 ASN A 54 -2.994 9.583 9.134 1.00 0.00 N ATOM 0 H ASN A 54 -4.000 8.278 4.756 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.986 10.455 5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.447 8.512 6.823 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.116 9.587 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.097 10.003 10.058 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.613 8.641 9.041 1.00 0.00 H new ATOM 875 N GLN A 55 -2.198 11.312 4.428 1.00 0.00 N ATOM 876 CA GLN A 55 -1.455 12.452 3.904 1.00 0.00 C ATOM 877 C GLN A 55 -2.296 13.236 2.902 1.00 0.00 C ATOM 878 O GLN A 55 -2.321 14.466 2.928 1.00 0.00 O ATOM 879 CB GLN A 55 -0.159 11.981 3.242 1.00 0.00 C ATOM 880 CG GLN A 55 0.811 11.318 4.206 1.00 0.00 C ATOM 881 CD GLN A 55 1.594 12.322 5.029 1.00 0.00 C ATOM 882 OE1 GLN A 55 1.665 13.502 4.686 1.00 0.00 O ATOM 883 NE2 GLN A 55 2.187 11.857 6.122 1.00 0.00 N ATOM 0 H GLN A 55 -1.780 10.405 4.222 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.211 13.110 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.403 11.279 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.332 12.835 2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.259 10.658 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.506 10.694 3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.101 10.871 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.728 12.486 6.715 1.00 0.00 H new ATOM 892 N GLU A 56 -2.983 12.516 2.021 1.00 0.00 N ATOM 893 CA GLU A 56 -3.824 13.146 1.011 1.00 0.00 C ATOM 894 C GLU A 56 -5.145 13.614 1.616 1.00 0.00 C ATOM 895 O GLU A 56 -5.985 12.802 2.004 1.00 0.00 O ATOM 896 CB GLU A 56 -4.094 12.173 -0.139 1.00 0.00 C ATOM 897 CG GLU A 56 -5.107 12.688 -1.147 1.00 0.00 C ATOM 898 CD GLU A 56 -4.651 13.960 -1.836 1.00 0.00 C ATOM 899 OE1 GLU A 56 -3.521 13.975 -2.366 1.00 0.00 O ATOM 900 OE2 GLU A 56 -5.425 14.940 -1.844 1.00 0.00 O ATOM 0 H GLU A 56 -2.974 11.497 1.986 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.293 14.016 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.156 11.963 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.451 11.228 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.291 11.919 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.055 12.873 -0.642 1.00 0.00 H new ATOM 907 N LYS A 57 -5.320 14.929 1.693 1.00 0.00 N ATOM 908 CA LYS A 57 -6.538 15.507 2.250 1.00 0.00 C ATOM 909 C LYS A 57 -7.749 15.154 1.393 1.00 0.00 C ATOM 910 O LYS A 57 -7.639 14.907 0.192 1.00 0.00 O ATOM 911 CB LYS A 57 -6.401 17.027 2.359 1.00 0.00 C ATOM 912 CG LYS A 57 -5.612 17.482 3.574 1.00 0.00 C ATOM 913 CD LYS A 57 -5.034 18.873 3.375 1.00 0.00 C ATOM 914 CE LYS A 57 -3.986 19.197 4.429 1.00 0.00 C ATOM 915 NZ LYS A 57 -2.701 18.492 4.168 1.00 0.00 N ATOM 0 H LYS A 57 -4.634 15.615 1.377 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.687 15.090 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.916 17.405 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.396 17.471 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.259 17.478 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.805 16.776 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.588 18.944 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.835 19.611 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.812 20.273 4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.361 18.916 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.970 18.853 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.827 17.471 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.407 18.659 3.184 1.00 0.00 H new ATOM 929 N PRO A 58 -8.934 15.132 2.022 1.00 0.00 N ATOM 930 CA PRO A 58 -10.189 14.813 1.334 1.00 0.00 C ATOM 931 C PRO A 58 -10.614 15.910 0.365 1.00 0.00 C ATOM 932 O PRO A 58 -10.051 17.005 0.366 1.00 0.00 O ATOM 933 CB PRO A 58 -11.198 14.689 2.478 1.00 0.00 C ATOM 934 CG PRO A 58 -10.634 15.527 3.573 1.00 0.00 C ATOM 935 CD PRO A 58 -9.139 15.416 3.452 1.00 0.00 C ATOM 0 HA PRO A 58 -10.103 13.914 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.184 15.043 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.314 13.652 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.957 16.564 3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.974 15.176 4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.642 16.338 3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.743 14.619 4.081 1.00 0.00 H new ATOM 943 N SER A 59 -11.611 15.610 -0.461 1.00 0.00 N ATOM 944 CA SER A 59 -12.109 16.570 -1.439 1.00 0.00 C ATOM 945 C SER A 59 -13.231 17.417 -0.846 1.00 0.00 C ATOM 946 O SER A 59 -13.132 18.641 -0.779 1.00 0.00 O ATOM 947 CB SER A 59 -12.608 15.845 -2.690 1.00 0.00 C ATOM 948 OG SER A 59 -11.534 15.252 -3.399 1.00 0.00 O ATOM 0 H SER A 59 -12.090 14.710 -0.472 1.00 0.00 H new ATOM 0 HA SER A 59 -11.286 17.230 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.328 15.078 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.131 16.549 -3.338 1.00 0.00 H new ATOM 0 HG SER A 59 -11.880 14.794 -4.193 1.00 0.00 H new ATOM 954 N GLY A 60 -14.300 16.753 -0.416 1.00 0.00 N ATOM 955 CA GLY A 60 -15.427 17.459 0.166 1.00 0.00 C ATOM 956 C GLY A 60 -16.690 16.621 0.182 1.00 0.00 C ATOM 957 O GLY A 60 -16.683 15.442 -0.170 1.00 0.00 O ATOM 0 H GLY A 60 -14.406 15.739 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.179 17.756 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.609 18.374 -0.398 1.00 0.00 H new ATOM 961 N PRO A 61 -17.807 17.235 0.601 1.00 0.00 N ATOM 962 CA PRO A 61 -19.104 16.556 0.673 1.00 0.00 C ATOM 963 C PRO A 61 -19.674 16.248 -0.708 1.00 0.00 C ATOM 964 O PRO A 61 -20.177 15.151 -0.952 1.00 0.00 O ATOM 965 CB PRO A 61 -19.992 17.565 1.405 1.00 0.00 C ATOM 966 CG PRO A 61 -19.369 18.890 1.128 1.00 0.00 C ATOM 967 CD PRO A 61 -17.889 18.639 1.036 1.00 0.00 C ATOM 0 HA PRO A 61 -19.032 15.590 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -21.019 17.526 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -20.026 17.359 2.475 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.751 19.315 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.596 19.602 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.411 19.309 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -17.395 18.792 1.996 1.00 0.00 H new ATOM 975 N SER A 62 -19.592 17.223 -1.608 1.00 0.00 N ATOM 976 CA SER A 62 -20.103 17.056 -2.963 1.00 0.00 C ATOM 977 C SER A 62 -18.997 17.272 -3.991 1.00 0.00 C ATOM 978 O SER A 62 -18.449 18.368 -4.109 1.00 0.00 O ATOM 979 CB SER A 62 -21.252 18.033 -3.222 1.00 0.00 C ATOM 980 OG SER A 62 -22.476 17.523 -2.722 1.00 0.00 O ATOM 0 H SER A 62 -19.177 18.136 -1.423 1.00 0.00 H new ATOM 0 HA SER A 62 -20.473 16.036 -3.061 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.033 18.991 -2.750 1.00 0.00 H new ATOM 0 HB3 SER A 62 -21.342 18.219 -4.292 1.00 0.00 H new ATOM 0 HG SER A 62 -23.194 18.166 -2.898 1.00 0.00 H new ATOM 986 N SER A 63 -18.674 16.218 -4.734 1.00 0.00 N ATOM 987 CA SER A 63 -17.630 16.289 -5.750 1.00 0.00 C ATOM 988 C SER A 63 -18.201 16.006 -7.136 1.00 0.00 C ATOM 989 O SER A 63 -18.379 14.852 -7.522 1.00 0.00 O ATOM 990 CB SER A 63 -16.512 15.294 -5.433 1.00 0.00 C ATOM 991 OG SER A 63 -16.991 13.961 -5.466 1.00 0.00 O ATOM 0 H SER A 63 -19.120 15.305 -4.651 1.00 0.00 H new ATOM 0 HA SER A 63 -17.220 17.299 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.702 15.411 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.097 15.510 -4.449 1.00 0.00 H new ATOM 0 HG SER A 63 -17.631 13.862 -6.201 1.00 0.00 H new ATOM 997 N GLY A 64 -18.487 17.070 -7.880 1.00 0.00 N ATOM 998 CA GLY A 64 -19.035 16.916 -9.215 1.00 0.00 C ATOM 999 C GLY A 64 -19.280 18.247 -9.898 1.00 0.00 C ATOM 1000 O GLY A 64 -20.077 18.335 -10.832 1.00 0.00 O ATOM 0 H GLY A 64 -18.349 18.036 -7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.350 16.322 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.972 16.362 -9.158 1.00 0.00 H new TER 1004 GLY A 64