USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 460 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 Set 1.1: A 56 HIS : no HE2:sc= -0.0253 K(o=0.088,f=-2.3) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -167:sc= 0.113 (180deg=0) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0.0419 USER MOD Set 2.2: A 43 GLN : amide:sc= -0.0781 X(o=-0.036,f=0.042) USER MOD Single : A 1 GLN : amide:sc= 0.0928 K(o=0.093,f=-3.1!) USER MOD Single : A 1 GLN N :NH3+ 138:sc= 0.538 (180deg=0.0883) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0399 X(o=-0.04,f=-0.27) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.469 26.120 9.714 1.00 0.00 N ATOM 2 CA GLN A 1 31.857 26.370 10.215 1.00 0.00 C ATOM 3 C GLN A 1 32.836 25.361 9.604 1.00 0.00 C ATOM 4 O GLN A 1 32.443 24.423 8.935 1.00 0.00 O ATOM 5 CB GLN A 1 31.785 26.183 11.734 1.00 0.00 C ATOM 6 CG GLN A 1 31.146 27.417 12.380 1.00 0.00 C ATOM 7 CD GLN A 1 29.757 27.055 12.914 1.00 0.00 C ATOM 8 OE1 GLN A 1 28.847 26.810 12.146 1.00 0.00 O ATOM 9 NE2 GLN A 1 29.553 27.008 14.202 1.00 0.00 N ATOM 0 H1 GLN A 1 29.794 26.211 10.500 1.00 0.00 H new ATOM 0 H2 GLN A 1 30.236 26.815 8.976 1.00 0.00 H new ATOM 0 H3 GLN A 1 30.411 25.161 9.317 1.00 0.00 H new ATOM 0 HA GLN A 1 32.210 27.365 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 1 31.202 25.293 11.973 1.00 0.00 H new ATOM 0 HB3 GLN A 1 32.785 26.027 12.138 1.00 0.00 H new ATOM 0 HG2 GLN A 1 31.775 27.782 13.192 1.00 0.00 H new ATOM 0 HG3 GLN A 1 31.068 28.223 11.650 1.00 0.00 H new ATOM 0 HE21 GLN A 1 30.316 27.213 14.847 1.00 0.00 H new ATOM 0 HE22 GLN A 1 28.631 26.766 14.564 1.00 0.00 H new ATOM 20 N VAL A 2 34.109 25.550 9.839 1.00 0.00 N ATOM 21 CA VAL A 2 35.129 24.609 9.283 1.00 0.00 C ATOM 22 C VAL A 2 35.767 23.802 10.422 1.00 0.00 C ATOM 23 O VAL A 2 36.593 24.304 11.164 1.00 0.00 O ATOM 24 CB VAL A 2 36.171 25.501 8.595 1.00 0.00 C ATOM 25 CG1 VAL A 2 37.250 24.628 7.948 1.00 0.00 C ATOM 26 CG2 VAL A 2 35.492 26.347 7.512 1.00 0.00 C ATOM 0 H VAL A 2 34.488 26.318 10.394 1.00 0.00 H new ATOM 0 HA VAL A 2 34.697 23.891 8.586 1.00 0.00 H new ATOM 0 HB VAL A 2 36.627 26.155 9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 2 37.989 25.264 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 2 37.739 24.026 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 2 36.792 23.971 7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 2 36.235 26.979 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 2 35.033 25.691 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 2 34.725 26.973 7.967 1.00 0.00 H new ATOM 36 N TYR A 3 35.385 22.557 10.565 1.00 0.00 N ATOM 37 CA TYR A 3 35.959 21.708 11.655 1.00 0.00 C ATOM 38 C TYR A 3 36.041 20.244 11.204 1.00 0.00 C ATOM 39 O TYR A 3 35.175 19.754 10.500 1.00 0.00 O ATOM 40 CB TYR A 3 34.986 21.855 12.829 1.00 0.00 C ATOM 41 CG TYR A 3 35.632 22.666 13.929 1.00 0.00 C ATOM 42 CD1 TYR A 3 36.523 22.053 14.819 1.00 0.00 C ATOM 43 CD2 TYR A 3 35.339 24.029 14.059 1.00 0.00 C ATOM 44 CE1 TYR A 3 37.120 22.804 15.838 1.00 0.00 C ATOM 45 CE2 TYR A 3 35.937 24.779 15.078 1.00 0.00 C ATOM 46 CZ TYR A 3 36.828 24.167 15.968 1.00 0.00 C ATOM 47 OH TYR A 3 37.417 24.906 16.972 1.00 0.00 O ATOM 0 H TYR A 3 34.698 22.091 9.972 1.00 0.00 H new ATOM 0 HA TYR A 3 36.971 22.013 11.923 1.00 0.00 H new ATOM 0 HB2 TYR A 3 34.070 22.342 12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 3 34.705 20.872 13.206 1.00 0.00 H new ATOM 0 HD1 TYR A 3 36.749 21.002 14.719 1.00 0.00 H new ATOM 0 HD2 TYR A 3 34.652 24.501 13.373 1.00 0.00 H new ATOM 0 HE1 TYR A 3 37.807 22.332 16.525 1.00 0.00 H new ATOM 0 HE2 TYR A 3 35.711 25.830 15.178 1.00 0.00 H new ATOM 0 HH TYR A 3 37.107 25.834 16.920 1.00 0.00 H new ATOM 57 N LYS A 4 37.074 19.544 11.605 1.00 0.00 N ATOM 58 CA LYS A 4 37.218 18.111 11.205 1.00 0.00 C ATOM 59 C LYS A 4 38.117 17.365 12.201 1.00 0.00 C ATOM 60 O LYS A 4 39.164 17.850 12.588 1.00 0.00 O ATOM 61 CB LYS A 4 37.867 18.148 9.819 1.00 0.00 C ATOM 62 CG LYS A 4 37.655 16.802 9.120 1.00 0.00 C ATOM 63 CD LYS A 4 37.768 16.988 7.605 1.00 0.00 C ATOM 64 CE LYS A 4 37.707 15.621 6.915 1.00 0.00 C ATOM 65 NZ LYS A 4 39.129 15.185 6.778 1.00 0.00 N ATOM 0 H LYS A 4 37.825 19.905 12.193 1.00 0.00 H new ATOM 0 HA LYS A 4 36.261 17.590 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 4 37.433 18.951 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 38.933 18.359 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 4 38.396 16.081 9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 4 36.675 16.398 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 36.960 17.625 7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 4 38.704 17.490 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 4 37.132 14.908 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 4 37.222 15.693 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 39.164 14.255 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 39.651 15.878 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 39.564 15.117 7.720 1.00 0.00 H new ATOM 79 N GLY A 5 37.714 16.188 12.612 1.00 0.00 N ATOM 80 CA GLY A 5 38.537 15.402 13.577 1.00 0.00 C ATOM 81 C GLY A 5 39.410 14.398 12.815 1.00 0.00 C ATOM 82 O GLY A 5 39.593 14.504 11.616 1.00 0.00 O ATOM 0 H GLY A 5 36.847 15.738 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 5 39.165 16.072 14.164 1.00 0.00 H new ATOM 0 HA3 GLY A 5 37.889 14.876 14.278 1.00 0.00 H new ATOM 86 N GLY A 6 39.949 13.424 13.506 1.00 0.00 N ATOM 87 CA GLY A 6 40.810 12.408 12.836 1.00 0.00 C ATOM 88 C GLY A 6 40.008 11.124 12.610 1.00 0.00 C ATOM 89 O GLY A 6 39.628 10.810 11.497 1.00 0.00 O ATOM 0 H GLY A 6 39.827 13.291 14.510 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.172 12.795 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.687 12.198 13.449 1.00 0.00 H new ATOM 93 N TYR A 7 39.748 10.382 13.657 1.00 0.00 N ATOM 94 CA TYR A 7 38.971 9.116 13.510 1.00 0.00 C ATOM 95 C TYR A 7 37.541 9.308 14.028 1.00 0.00 C ATOM 96 O TYR A 7 37.329 9.748 15.144 1.00 0.00 O ATOM 97 CB TYR A 7 39.721 8.085 14.358 1.00 0.00 C ATOM 98 CG TYR A 7 39.565 6.718 13.738 1.00 0.00 C ATOM 99 CD1 TYR A 7 40.378 6.342 12.662 1.00 0.00 C ATOM 100 CD2 TYR A 7 38.608 5.828 14.238 1.00 0.00 C ATOM 101 CE1 TYR A 7 40.232 5.077 12.086 1.00 0.00 C ATOM 102 CE2 TYR A 7 38.463 4.562 13.661 1.00 0.00 C ATOM 103 CZ TYR A 7 39.275 4.186 12.586 1.00 0.00 C ATOM 104 OH TYR A 7 39.130 2.939 12.016 1.00 0.00 O ATOM 0 H TYR A 7 40.042 10.600 14.609 1.00 0.00 H new ATOM 0 HA TYR A 7 38.890 8.801 12.470 1.00 0.00 H new ATOM 0 HB2 TYR A 7 40.777 8.349 14.422 1.00 0.00 H new ATOM 0 HB3 TYR A 7 39.331 8.082 15.376 1.00 0.00 H new ATOM 0 HD1 TYR A 7 41.117 7.029 12.277 1.00 0.00 H new ATOM 0 HD2 TYR A 7 37.982 6.118 15.069 1.00 0.00 H new ATOM 0 HE1 TYR A 7 40.858 4.787 11.255 1.00 0.00 H new ATOM 0 HE2 TYR A 7 37.724 3.875 14.046 1.00 0.00 H new ATOM 0 HH TYR A 7 38.423 2.446 12.483 1.00 0.00 H new ATOM 114 N ALA A 8 36.559 8.974 13.226 1.00 0.00 N ATOM 115 CA ALA A 8 35.139 9.128 13.664 1.00 0.00 C ATOM 116 C ALA A 8 34.221 8.228 12.826 1.00 0.00 C ATOM 117 O ALA A 8 33.566 8.678 11.903 1.00 0.00 O ATOM 118 CB ALA A 8 34.807 10.606 13.435 1.00 0.00 C ATOM 0 H ALA A 8 36.682 8.601 12.285 1.00 0.00 H new ATOM 0 HA ALA A 8 34.996 8.838 14.705 1.00 0.00 H new ATOM 0 HB1 ALA A 8 33.777 10.798 13.734 1.00 0.00 H new ATOM 0 HB2 ALA A 8 35.479 11.226 14.028 1.00 0.00 H new ATOM 0 HB3 ALA A 8 34.929 10.847 12.379 1.00 0.00 H new ATOM 124 N ARG A 9 34.167 6.957 13.145 1.00 0.00 N ATOM 125 CA ARG A 9 33.293 6.021 12.377 1.00 0.00 C ATOM 126 C ARG A 9 32.024 5.704 13.184 1.00 0.00 C ATOM 127 O ARG A 9 32.074 4.957 14.143 1.00 0.00 O ATOM 128 CB ARG A 9 34.138 4.758 12.176 1.00 0.00 C ATOM 129 CG ARG A 9 34.312 4.487 10.679 1.00 0.00 C ATOM 130 CD ARG A 9 34.363 2.975 10.433 1.00 0.00 C ATOM 131 NE ARG A 9 33.181 2.681 9.573 1.00 0.00 N ATOM 132 CZ ARG A 9 32.141 2.072 10.075 1.00 0.00 C ATOM 133 NH1 ARG A 9 31.297 2.732 10.823 1.00 0.00 N ATOM 134 NH2 ARG A 9 31.948 0.802 9.827 1.00 0.00 N ATOM 0 H ARG A 9 34.693 6.528 13.907 1.00 0.00 H new ATOM 0 HA ARG A 9 32.968 6.443 11.426 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.112 4.881 12.649 1.00 0.00 H new ATOM 0 HB3 ARG A 9 33.656 3.906 12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 9 33.487 4.929 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.228 4.955 10.318 1.00 0.00 H new ATOM 0 HD2 ARG A 9 35.291 2.687 9.939 1.00 0.00 H new ATOM 0 HD3 ARG A 9 34.316 2.421 11.371 1.00 0.00 H new ATOM 0 HE ARG A 9 33.185 2.956 8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 9 31.451 3.722 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 9 30.484 2.257 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 9 32.609 0.290 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 9 31.136 0.324 10.218 1.00 0.00 H new ATOM 148 N PRO A 10 30.923 6.288 12.768 1.00 0.00 N ATOM 149 CA PRO A 10 29.627 6.066 13.468 1.00 0.00 C ATOM 150 C PRO A 10 29.102 4.648 13.204 1.00 0.00 C ATOM 151 O PRO A 10 29.112 4.176 12.082 1.00 0.00 O ATOM 152 CB PRO A 10 28.704 7.114 12.851 1.00 0.00 C ATOM 153 CG PRO A 10 29.290 7.404 11.507 1.00 0.00 C ATOM 154 CD PRO A 10 30.778 7.199 11.624 1.00 0.00 C ATOM 0 HA PRO A 10 29.706 6.157 14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 10 27.684 6.739 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 10 28.662 8.013 13.465 1.00 0.00 H new ATOM 0 HG2 PRO A 10 28.867 6.742 10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 10 29.064 8.425 11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 10 31.194 6.766 10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 10 31.298 8.141 11.796 1.00 0.00 H new ATOM 162 N ILE A 11 28.643 3.975 14.239 1.00 0.00 N ATOM 163 CA ILE A 11 28.104 2.579 14.094 1.00 0.00 C ATOM 164 C ILE A 11 29.185 1.632 13.541 1.00 0.00 C ATOM 165 O ILE A 11 29.427 1.594 12.347 1.00 0.00 O ATOM 166 CB ILE A 11 26.914 2.681 13.124 1.00 0.00 C ATOM 167 CG1 ILE A 11 25.852 3.623 13.706 1.00 0.00 C ATOM 168 CG2 ILE A 11 26.299 1.292 12.920 1.00 0.00 C ATOM 169 CD1 ILE A 11 24.945 4.129 12.583 1.00 0.00 C ATOM 0 H ILE A 11 28.619 4.340 15.191 1.00 0.00 H new ATOM 0 HA ILE A 11 27.795 2.170 15.056 1.00 0.00 H new ATOM 0 HB ILE A 11 27.263 3.072 12.168 1.00 0.00 H new ATOM 0 HG12 ILE A 11 25.260 3.100 14.458 1.00 0.00 H new ATOM 0 HG13 ILE A 11 26.332 4.464 14.206 1.00 0.00 H new ATOM 0 HG21 ILE A 11 25.456 1.365 12.233 1.00 0.00 H new ATOM 0 HG22 ILE A 11 27.049 0.619 12.504 1.00 0.00 H new ATOM 0 HG23 ILE A 11 25.954 0.903 13.878 1.00 0.00 H new ATOM 0 HD11 ILE A 11 24.191 4.798 12.998 1.00 0.00 H new ATOM 0 HD12 ILE A 11 25.543 4.667 11.847 1.00 0.00 H new ATOM 0 HD13 ILE A 11 24.454 3.283 12.103 1.00 0.00 H new ATOM 181 N PRO A 12 29.798 0.887 14.432 1.00 0.00 N ATOM 182 CA PRO A 12 30.859 -0.071 14.026 1.00 0.00 C ATOM 183 C PRO A 12 30.240 -1.278 13.307 1.00 0.00 C ATOM 184 O PRO A 12 29.122 -1.222 12.827 1.00 0.00 O ATOM 185 CB PRO A 12 31.495 -0.484 15.354 1.00 0.00 C ATOM 186 CG PRO A 12 30.433 -0.260 16.381 1.00 0.00 C ATOM 187 CD PRO A 12 29.567 0.865 15.882 1.00 0.00 C ATOM 0 HA PRO A 12 31.583 0.354 13.331 1.00 0.00 H new ATOM 0 HB2 PRO A 12 31.809 -1.528 15.333 1.00 0.00 H new ATOM 0 HB3 PRO A 12 32.382 0.112 15.568 1.00 0.00 H new ATOM 0 HG2 PRO A 12 29.843 -1.164 16.529 1.00 0.00 H new ATOM 0 HG3 PRO A 12 30.876 -0.007 17.344 1.00 0.00 H new ATOM 0 HD2 PRO A 12 28.516 0.691 16.115 1.00 0.00 H new ATOM 0 HD3 PRO A 12 29.843 1.813 16.343 1.00 0.00 H new ATOM 195 N ARG A 13 30.961 -2.363 13.230 1.00 0.00 N ATOM 196 CA ARG A 13 30.427 -3.580 12.545 1.00 0.00 C ATOM 197 C ARG A 13 29.195 -4.112 13.297 1.00 0.00 C ATOM 198 O ARG A 13 29.302 -4.530 14.436 1.00 0.00 O ATOM 199 CB ARG A 13 31.568 -4.605 12.584 1.00 0.00 C ATOM 200 CG ARG A 13 31.797 -5.177 11.181 1.00 0.00 C ATOM 201 CD ARG A 13 32.900 -4.383 10.476 1.00 0.00 C ATOM 202 NE ARG A 13 33.334 -5.247 9.339 1.00 0.00 N ATOM 203 CZ ARG A 13 33.000 -4.936 8.115 1.00 0.00 C ATOM 204 NH1 ARG A 13 31.842 -5.311 7.640 1.00 0.00 N ATOM 205 NH2 ARG A 13 33.826 -4.251 7.368 1.00 0.00 N ATOM 0 H ARG A 13 31.901 -2.462 13.613 1.00 0.00 H new ATOM 0 HA ARG A 13 30.112 -3.370 11.523 1.00 0.00 H new ATOM 0 HB2 ARG A 13 32.481 -4.134 12.948 1.00 0.00 H new ATOM 0 HB3 ARG A 13 31.324 -5.408 13.279 1.00 0.00 H new ATOM 0 HG2 ARG A 13 32.077 -6.228 11.247 1.00 0.00 H new ATOM 0 HG3 ARG A 13 30.874 -5.129 10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 13 32.529 -3.422 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 13 33.729 -4.175 11.152 1.00 0.00 H new ATOM 0 HE ARG A 13 33.892 -6.082 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 13 31.200 -5.846 8.225 1.00 0.00 H new ATOM 0 HH12 ARG A 13 31.580 -5.069 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 13 34.730 -3.960 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.567 -4.007 6.412 1.00 0.00 H new ATOM 219 N PRO A 14 28.062 -4.077 12.633 1.00 0.00 N ATOM 220 CA PRO A 14 26.800 -4.564 13.250 1.00 0.00 C ATOM 221 C PRO A 14 26.802 -6.098 13.348 1.00 0.00 C ATOM 222 O PRO A 14 27.532 -6.762 12.636 1.00 0.00 O ATOM 223 CB PRO A 14 25.720 -4.080 12.285 1.00 0.00 C ATOM 224 CG PRO A 14 26.413 -3.929 10.969 1.00 0.00 C ATOM 225 CD PRO A 14 27.850 -3.587 11.263 1.00 0.00 C ATOM 0 HA PRO A 14 26.652 -4.199 14.266 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.901 -4.796 12.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.291 -3.134 12.616 1.00 0.00 H new ATOM 0 HG2 PRO A 14 26.347 -4.851 10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 14 25.944 -3.145 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.527 -4.069 10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 14 28.027 -2.514 11.192 1.00 0.00 H new ATOM 233 N PRO A 15 25.978 -6.610 14.234 1.00 0.00 N ATOM 234 CA PRO A 15 25.882 -8.082 14.428 1.00 0.00 C ATOM 235 C PRO A 15 25.143 -8.736 13.250 1.00 0.00 C ATOM 236 O PRO A 15 24.288 -8.121 12.638 1.00 0.00 O ATOM 237 CB PRO A 15 25.080 -8.222 15.719 1.00 0.00 C ATOM 238 CG PRO A 15 24.283 -6.960 15.821 1.00 0.00 C ATOM 239 CD PRO A 15 25.071 -5.879 15.129 1.00 0.00 C ATOM 0 HA PRO A 15 26.855 -8.570 14.481 1.00 0.00 H new ATOM 0 HB2 PRO A 15 24.431 -9.097 15.687 1.00 0.00 H new ATOM 0 HB3 PRO A 15 25.737 -8.344 16.580 1.00 0.00 H new ATOM 0 HG2 PRO A 15 23.306 -7.083 15.354 1.00 0.00 H new ATOM 0 HG3 PRO A 15 24.107 -6.700 16.865 1.00 0.00 H new ATOM 0 HD2 PRO A 15 24.419 -5.206 14.572 1.00 0.00 H new ATOM 0 HD3 PRO A 15 25.623 -5.269 15.844 1.00 0.00 H new ATOM 247 N PRO A 16 25.498 -9.969 12.969 1.00 0.00 N ATOM 248 CA PRO A 16 24.859 -10.711 11.855 1.00 0.00 C ATOM 249 C PRO A 16 23.446 -11.161 12.247 1.00 0.00 C ATOM 250 O PRO A 16 23.048 -11.071 13.394 1.00 0.00 O ATOM 251 CB PRO A 16 25.777 -11.913 11.650 1.00 0.00 C ATOM 252 CG PRO A 16 26.455 -12.116 12.966 1.00 0.00 C ATOM 253 CD PRO A 16 26.516 -10.776 13.653 1.00 0.00 C ATOM 0 HA PRO A 16 24.744 -10.110 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.210 -12.797 11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 16 26.502 -11.724 10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.905 -12.834 13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 16 27.457 -12.520 12.823 1.00 0.00 H new ATOM 0 HD2 PRO A 16 26.303 -10.865 14.718 1.00 0.00 H new ATOM 0 HD3 PRO A 16 27.505 -10.328 13.563 1.00 0.00 H new ATOM 261 N PHE A 17 22.692 -11.647 11.296 1.00 0.00 N ATOM 262 CA PHE A 17 21.303 -12.111 11.590 1.00 0.00 C ATOM 263 C PHE A 17 20.809 -13.054 10.490 1.00 0.00 C ATOM 264 O PHE A 17 21.325 -13.067 9.386 1.00 0.00 O ATOM 265 CB PHE A 17 20.451 -10.837 11.628 1.00 0.00 C ATOM 266 CG PHE A 17 19.123 -11.133 12.287 1.00 0.00 C ATOM 267 CD1 PHE A 17 19.054 -11.318 13.675 1.00 0.00 C ATOM 268 CD2 PHE A 17 17.961 -11.224 11.512 1.00 0.00 C ATOM 269 CE1 PHE A 17 17.824 -11.594 14.284 1.00 0.00 C ATOM 270 CE2 PHE A 17 16.731 -11.499 12.122 1.00 0.00 C ATOM 271 CZ PHE A 17 16.662 -11.684 13.508 1.00 0.00 C ATOM 0 H PHE A 17 22.980 -11.743 10.322 1.00 0.00 H new ATOM 0 HA PHE A 17 21.249 -12.664 12.528 1.00 0.00 H new ATOM 0 HB2 PHE A 17 20.974 -10.054 12.177 1.00 0.00 H new ATOM 0 HB3 PHE A 17 20.291 -10.464 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 17 19.950 -11.248 14.274 1.00 0.00 H new ATOM 0 HD2 PHE A 17 18.013 -11.082 10.443 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.771 -11.738 15.353 1.00 0.00 H new ATOM 0 HE2 PHE A 17 15.835 -11.568 11.523 1.00 0.00 H new ATOM 0 HZ PHE A 17 15.713 -11.896 13.978 1.00 0.00 H new ATOM 281 N VAL A 18 19.809 -13.841 10.787 1.00 0.00 N ATOM 282 CA VAL A 18 19.263 -14.793 9.769 1.00 0.00 C ATOM 283 C VAL A 18 18.440 -14.030 8.724 1.00 0.00 C ATOM 284 O VAL A 18 17.704 -13.115 9.046 1.00 0.00 O ATOM 285 CB VAL A 18 18.370 -15.764 10.550 1.00 0.00 C ATOM 286 CG1 VAL A 18 17.797 -16.816 9.596 1.00 0.00 C ATOM 287 CG2 VAL A 18 19.193 -16.466 11.636 1.00 0.00 C ATOM 0 H VAL A 18 19.343 -13.867 11.694 1.00 0.00 H new ATOM 0 HA VAL A 18 20.055 -15.318 9.236 1.00 0.00 H new ATOM 0 HB VAL A 18 17.556 -15.205 11.013 1.00 0.00 H new ATOM 0 HG11 VAL A 18 17.163 -17.505 10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.207 -16.323 8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 18 18.613 -17.369 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 18 18.554 -17.155 12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.009 -17.020 11.173 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.602 -15.723 12.320 1.00 0.00 H new ATOM 297 N ARG A 19 18.557 -14.404 7.476 1.00 0.00 N ATOM 298 CA ARG A 19 17.787 -13.710 6.402 1.00 0.00 C ATOM 299 C ARG A 19 16.770 -14.675 5.774 1.00 0.00 C ATOM 300 O ARG A 19 17.122 -15.492 4.943 1.00 0.00 O ATOM 301 CB ARG A 19 18.841 -13.280 5.376 1.00 0.00 C ATOM 302 CG ARG A 19 18.308 -12.105 4.551 1.00 0.00 C ATOM 303 CD ARG A 19 17.641 -12.634 3.277 1.00 0.00 C ATOM 304 NE ARG A 19 17.780 -11.532 2.284 1.00 0.00 N ATOM 305 CZ ARG A 19 16.733 -10.832 1.934 1.00 0.00 C ATOM 306 NH1 ARG A 19 15.916 -11.293 1.025 1.00 0.00 N ATOM 307 NH2 ARG A 19 16.504 -9.675 2.500 1.00 0.00 N ATOM 0 H ARG A 19 19.156 -15.164 7.154 1.00 0.00 H new ATOM 0 HA ARG A 19 17.220 -12.859 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 19 19.761 -12.992 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.087 -14.115 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.591 -11.531 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.123 -11.429 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.126 -13.545 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.593 -12.878 3.452 1.00 0.00 H new ATOM 0 HE ARG A 19 18.692 -11.324 1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.096 -12.198 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.098 -10.748 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.142 -9.321 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.688 -9.127 2.228 1.00 0.00 H new ATOM 321 N PRO A 20 15.532 -14.550 6.197 1.00 0.00 N ATOM 322 CA PRO A 20 14.452 -15.424 5.668 1.00 0.00 C ATOM 323 C PRO A 20 14.083 -15.029 4.230 1.00 0.00 C ATOM 324 O PRO A 20 14.605 -14.075 3.681 1.00 0.00 O ATOM 325 CB PRO A 20 13.284 -15.167 6.619 1.00 0.00 C ATOM 326 CG PRO A 20 13.534 -13.806 7.183 1.00 0.00 C ATOM 327 CD PRO A 20 15.026 -13.599 7.196 1.00 0.00 C ATOM 0 HA PRO A 20 14.740 -16.474 5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.331 -15.206 6.092 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.244 -15.919 7.407 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.045 -13.043 6.578 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.125 -13.725 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.288 -12.573 6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.447 -13.796 8.182 1.00 0.00 H new ATOM 335 N LEU A 21 13.184 -15.758 3.622 1.00 0.00 N ATOM 336 CA LEU A 21 12.773 -15.435 2.220 1.00 0.00 C ATOM 337 C LEU A 21 11.614 -14.427 2.218 1.00 0.00 C ATOM 338 O LEU A 21 10.819 -14.394 3.139 1.00 0.00 O ATOM 339 CB LEU A 21 12.336 -16.772 1.602 1.00 0.00 C ATOM 340 CG LEU A 21 11.034 -17.262 2.252 1.00 0.00 C ATOM 341 CD1 LEU A 21 9.857 -16.994 1.310 1.00 0.00 C ATOM 342 CD2 LEU A 21 11.136 -18.765 2.524 1.00 0.00 C ATOM 0 H LEU A 21 12.715 -16.564 4.035 1.00 0.00 H new ATOM 0 HA LEU A 21 13.585 -14.979 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.192 -16.654 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.120 -17.516 1.738 1.00 0.00 H new ATOM 0 HG LEU A 21 10.875 -16.730 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.934 -17.342 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.784 -15.924 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.015 -17.524 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.213 -19.115 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.296 -19.295 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.973 -18.957 3.196 1.00 0.00 H new ATOM 354 N PRO A 22 11.559 -13.631 1.176 1.00 0.00 N ATOM 355 CA PRO A 22 10.486 -12.611 1.051 1.00 0.00 C ATOM 356 C PRO A 22 9.156 -13.275 0.665 1.00 0.00 C ATOM 357 O PRO A 22 9.109 -14.137 -0.193 1.00 0.00 O ATOM 358 CB PRO A 22 10.987 -11.701 -0.068 1.00 0.00 C ATOM 359 CG PRO A 22 11.912 -12.550 -0.883 1.00 0.00 C ATOM 360 CD PRO A 22 12.481 -13.604 0.031 1.00 0.00 C ATOM 0 HA PRO A 22 10.296 -12.072 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.160 -11.329 -0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.505 -10.830 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.378 -13.011 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.710 -11.944 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.530 -14.574 -0.463 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.495 -13.354 0.343 1.00 0.00 H new ATOM 368 N GLY A 23 8.076 -12.879 1.296 1.00 0.00 N ATOM 369 CA GLY A 23 6.748 -13.483 0.974 1.00 0.00 C ATOM 370 C GLY A 23 5.683 -12.383 0.915 1.00 0.00 C ATOM 371 O GLY A 23 5.598 -11.644 -0.048 1.00 0.00 O ATOM 0 H GLY A 23 8.059 -12.162 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.797 -14.007 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.481 -14.222 1.729 1.00 0.00 H new ATOM 375 N GLY A 24 4.872 -12.268 1.939 1.00 0.00 N ATOM 376 CA GLY A 24 3.811 -11.216 1.948 1.00 0.00 C ATOM 377 C GLY A 24 2.518 -11.772 1.334 1.00 0.00 C ATOM 378 O GLY A 24 2.534 -12.793 0.671 1.00 0.00 O ATOM 0 H GLY A 24 4.900 -12.859 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.625 -10.883 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.146 -10.345 1.385 1.00 0.00 H new ATOM 382 N PRO A 25 1.432 -11.075 1.578 1.00 0.00 N ATOM 383 CA PRO A 25 0.111 -11.501 1.043 1.00 0.00 C ATOM 384 C PRO A 25 0.037 -11.263 -0.474 1.00 0.00 C ATOM 385 O PRO A 25 0.676 -10.370 -1.000 1.00 0.00 O ATOM 386 CB PRO A 25 -0.881 -10.606 1.785 1.00 0.00 C ATOM 387 CG PRO A 25 -0.094 -9.396 2.174 1.00 0.00 C ATOM 388 CD PRO A 25 1.333 -9.838 2.366 1.00 0.00 C ATOM 0 HA PRO A 25 -0.086 -12.563 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.725 -10.340 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.289 -11.110 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.159 -8.630 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.488 -8.959 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.035 -9.083 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 25 1.558 -10.016 3.418 1.00 0.00 H new ATOM 396 N ILE A 26 -0.737 -12.056 -1.173 1.00 0.00 N ATOM 397 CA ILE A 26 -0.856 -11.884 -2.652 1.00 0.00 C ATOM 398 C ILE A 26 -2.327 -11.723 -3.052 1.00 0.00 C ATOM 399 O ILE A 26 -3.223 -12.199 -2.379 1.00 0.00 O ATOM 400 CB ILE A 26 -0.262 -13.164 -3.259 1.00 0.00 C ATOM 401 CG1 ILE A 26 1.263 -13.158 -3.084 1.00 0.00 C ATOM 402 CG2 ILE A 26 -0.598 -13.250 -4.754 1.00 0.00 C ATOM 403 CD1 ILE A 26 1.867 -11.914 -3.747 1.00 0.00 C ATOM 0 H ILE A 26 -1.292 -12.816 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.335 -10.994 -3.005 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.690 -14.025 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.515 -13.172 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.691 -14.058 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.171 -14.162 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.680 -13.264 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.182 -12.385 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.949 -11.921 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.630 -11.917 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.452 -11.018 -3.286 1.00 0.00 H new ATOM 415 N GLY A 27 -2.573 -11.057 -4.151 1.00 0.00 N ATOM 416 CA GLY A 27 -3.978 -10.854 -4.620 1.00 0.00 C ATOM 417 C GLY A 27 -4.673 -9.806 -3.742 1.00 0.00 C ATOM 418 O GLY A 27 -5.422 -10.152 -2.848 1.00 0.00 O ATOM 0 H GLY A 27 -1.857 -10.642 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.980 -10.529 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.524 -11.796 -4.579 1.00 0.00 H new ATOM 422 N PRO A 28 -4.403 -8.553 -4.028 1.00 0.00 N ATOM 423 CA PRO A 28 -5.011 -7.442 -3.251 1.00 0.00 C ATOM 424 C PRO A 28 -6.484 -7.229 -3.649 1.00 0.00 C ATOM 425 O PRO A 28 -7.334 -7.012 -2.805 1.00 0.00 O ATOM 426 CB PRO A 28 -4.160 -6.232 -3.631 1.00 0.00 C ATOM 427 CG PRO A 28 -3.583 -6.557 -4.975 1.00 0.00 C ATOM 428 CD PRO A 28 -3.510 -8.060 -5.087 1.00 0.00 C ATOM 0 HA PRO A 28 -5.022 -7.632 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.763 -5.325 -3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.373 -6.059 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.205 -6.143 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.592 -6.116 -5.083 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.835 -8.401 -6.070 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.491 -8.419 -4.946 1.00 0.00 H new ATOM 436 N TYR A 29 -6.789 -7.282 -4.924 1.00 0.00 N ATOM 437 CA TYR A 29 -8.200 -7.078 -5.374 1.00 0.00 C ATOM 438 C TYR A 29 -8.994 -8.386 -5.242 1.00 0.00 C ATOM 439 O TYR A 29 -9.350 -9.013 -6.224 1.00 0.00 O ATOM 440 CB TYR A 29 -8.087 -6.647 -6.839 1.00 0.00 C ATOM 441 CG TYR A 29 -9.269 -5.784 -7.215 1.00 0.00 C ATOM 442 CD1 TYR A 29 -9.230 -4.402 -6.987 1.00 0.00 C ATOM 443 CD2 TYR A 29 -10.399 -6.363 -7.804 1.00 0.00 C ATOM 444 CE1 TYR A 29 -10.321 -3.601 -7.348 1.00 0.00 C ATOM 445 CE2 TYR A 29 -11.489 -5.564 -8.162 1.00 0.00 C ATOM 446 CZ TYR A 29 -11.450 -4.182 -7.935 1.00 0.00 C ATOM 447 OH TYR A 29 -12.525 -3.392 -8.291 1.00 0.00 O ATOM 0 H TYR A 29 -6.119 -7.458 -5.673 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.726 -6.335 -4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.160 -6.096 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.048 -7.525 -7.483 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.358 -3.954 -6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.429 -7.428 -7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.291 -2.536 -7.173 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.362 -6.012 -8.614 1.00 0.00 H new ATOM 0 HH TYR A 29 -13.225 -3.952 -8.687 1.00 0.00 H new ATOM 457 N ASN A 30 -9.272 -8.800 -4.031 1.00 0.00 N ATOM 458 CA ASN A 30 -10.040 -10.063 -3.821 1.00 0.00 C ATOM 459 C ASN A 30 -10.958 -9.939 -2.595 1.00 0.00 C ATOM 460 O ASN A 30 -11.056 -10.845 -1.787 1.00 0.00 O ATOM 461 CB ASN A 30 -8.971 -11.139 -3.595 1.00 0.00 C ATOM 462 CG ASN A 30 -8.491 -11.681 -4.944 1.00 0.00 C ATOM 463 OD1 ASN A 30 -7.346 -11.501 -5.311 1.00 0.00 O ATOM 464 ND2 ASN A 30 -9.321 -12.342 -5.705 1.00 0.00 N ATOM 0 H ASN A 30 -8.999 -8.315 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.686 -10.300 -4.667 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.131 -10.720 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.379 -11.949 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.008 -12.706 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.282 -12.494 -5.399 1.00 0.00 H new ATOM 471 N GLY A 31 -11.632 -8.824 -2.451 1.00 0.00 N ATOM 472 CA GLY A 31 -12.543 -8.641 -1.281 1.00 0.00 C ATOM 473 C GLY A 31 -13.253 -7.284 -1.366 1.00 0.00 C ATOM 474 O GLY A 31 -13.329 -6.557 -0.394 1.00 0.00 O ATOM 0 H GLY A 31 -11.590 -8.033 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.280 -9.444 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.973 -8.703 -0.354 1.00 0.00 H new ATOM 478 N CYS A 32 -13.780 -6.940 -2.519 1.00 0.00 N ATOM 479 CA CYS A 32 -14.493 -5.631 -2.666 1.00 0.00 C ATOM 480 C CYS A 32 -15.249 -5.582 -4.003 1.00 0.00 C ATOM 481 O CYS A 32 -14.700 -5.166 -5.007 1.00 0.00 O ATOM 482 CB CYS A 32 -13.397 -4.561 -2.636 1.00 0.00 C ATOM 483 SG CYS A 32 -14.162 -2.924 -2.737 1.00 0.00 S ATOM 0 H CYS A 32 -13.747 -7.510 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 32 -15.228 -5.480 -1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -12.813 -4.647 -1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.708 -4.706 -3.468 1.00 0.00 H new ATOM 488 N PRO A 33 -16.492 -6.006 -3.973 1.00 0.00 N ATOM 489 CA PRO A 33 -17.330 -6.001 -5.203 1.00 0.00 C ATOM 490 C PRO A 33 -17.726 -4.565 -5.582 1.00 0.00 C ATOM 491 O PRO A 33 -18.044 -3.755 -4.730 1.00 0.00 O ATOM 492 CB PRO A 33 -18.556 -6.818 -4.801 1.00 0.00 C ATOM 493 CG PRO A 33 -18.635 -6.697 -3.312 1.00 0.00 C ATOM 494 CD PRO A 33 -17.225 -6.525 -2.809 1.00 0.00 C ATOM 0 HA PRO A 33 -16.817 -6.410 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -19.459 -6.434 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.453 -7.859 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -19.253 -5.846 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.094 -7.585 -2.877 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.183 -5.831 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -16.807 -7.470 -2.463 1.00 0.00 H new ATOM 502 N VAL A 34 -17.712 -4.246 -6.854 1.00 0.00 N ATOM 503 CA VAL A 34 -18.093 -2.863 -7.292 1.00 0.00 C ATOM 504 C VAL A 34 -19.593 -2.619 -7.053 1.00 0.00 C ATOM 505 O VAL A 34 -20.018 -1.497 -6.850 1.00 0.00 O ATOM 506 CB VAL A 34 -17.760 -2.803 -8.790 1.00 0.00 C ATOM 507 CG1 VAL A 34 -18.299 -1.500 -9.391 1.00 0.00 C ATOM 508 CG2 VAL A 34 -16.241 -2.848 -8.978 1.00 0.00 C ATOM 0 H VAL A 34 -17.454 -4.882 -7.608 1.00 0.00 H new ATOM 0 HA VAL A 34 -17.559 -2.095 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 34 -18.221 -3.654 -9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -18.060 -1.463 -10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -19.380 -1.459 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -17.841 -0.650 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.005 -2.805 -10.041 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -15.786 -1.997 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.849 -3.774 -8.556 1.00 0.00 H new ATOM 518 N SER A 35 -20.391 -3.661 -7.067 1.00 0.00 N ATOM 519 CA SER A 35 -21.860 -3.494 -6.829 1.00 0.00 C ATOM 520 C SER A 35 -22.131 -3.048 -5.383 1.00 0.00 C ATOM 521 O SER A 35 -23.197 -2.546 -5.078 1.00 0.00 O ATOM 522 CB SER A 35 -22.467 -4.875 -7.086 1.00 0.00 C ATOM 523 OG SER A 35 -23.781 -4.722 -7.605 1.00 0.00 O ATOM 0 H SER A 35 -20.088 -4.621 -7.233 1.00 0.00 H new ATOM 0 HA SER A 35 -22.291 -2.730 -7.477 1.00 0.00 H new ATOM 0 HB2 SER A 35 -21.848 -5.431 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.494 -5.451 -6.161 1.00 0.00 H new ATOM 0 HG SER A 35 -24.172 -5.605 -7.772 1.00 0.00 H new ATOM 529 N CYS A 36 -21.175 -3.232 -4.493 1.00 0.00 N ATOM 530 CA CYS A 36 -21.358 -2.827 -3.058 1.00 0.00 C ATOM 531 C CYS A 36 -22.559 -3.549 -2.426 1.00 0.00 C ATOM 532 O CYS A 36 -23.159 -3.062 -1.483 1.00 0.00 O ATOM 533 CB CYS A 36 -21.583 -1.310 -3.084 1.00 0.00 C ATOM 534 SG CYS A 36 -20.053 -0.470 -3.572 1.00 0.00 S ATOM 0 H CYS A 36 -20.269 -3.649 -4.704 1.00 0.00 H new ATOM 0 HA CYS A 36 -20.491 -3.096 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -22.383 -1.064 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -21.901 -0.964 -2.101 1.00 0.00 H new ATOM 539 N ARG A 37 -22.907 -4.710 -2.928 1.00 0.00 N ATOM 540 CA ARG A 37 -24.058 -5.465 -2.353 1.00 0.00 C ATOM 541 C ARG A 37 -23.553 -6.697 -1.599 1.00 0.00 C ATOM 542 O ARG A 37 -22.585 -7.324 -1.990 1.00 0.00 O ATOM 543 CB ARG A 37 -24.912 -5.883 -3.550 1.00 0.00 C ATOM 544 CG ARG A 37 -25.568 -4.647 -4.172 1.00 0.00 C ATOM 545 CD ARG A 37 -26.763 -5.076 -5.028 1.00 0.00 C ATOM 546 NE ARG A 37 -27.701 -3.918 -4.990 1.00 0.00 N ATOM 547 CZ ARG A 37 -28.938 -4.091 -4.607 1.00 0.00 C ATOM 548 NH1 ARG A 37 -29.810 -4.611 -5.430 1.00 0.00 N ATOM 549 NH2 ARG A 37 -29.303 -3.742 -3.400 1.00 0.00 N ATOM 0 H ARG A 37 -22.441 -5.165 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 37 -24.628 -4.864 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -24.294 -6.390 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -25.677 -6.592 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -25.896 -3.964 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -24.845 -4.108 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -26.456 -5.302 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -27.231 -5.976 -4.629 1.00 0.00 H new ATOM 0 HE ARG A 37 -27.377 -2.990 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -29.525 -4.882 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -30.776 -4.746 -5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -28.622 -3.335 -2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -30.269 -3.877 -3.100 1.00 0.00 H new ATOM 563 N GLY A 38 -24.204 -7.047 -0.520 1.00 0.00 N ATOM 564 CA GLY A 38 -23.774 -8.238 0.270 1.00 0.00 C ATOM 565 C GLY A 38 -22.458 -7.942 1.003 1.00 0.00 C ATOM 566 O GLY A 38 -21.634 -8.820 1.179 1.00 0.00 O ATOM 0 H GLY A 38 -25.019 -6.556 -0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -24.548 -8.504 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -23.645 -9.095 -0.391 1.00 0.00 H new ATOM 570 N ILE A 39 -22.255 -6.721 1.441 1.00 0.00 N ATOM 571 CA ILE A 39 -20.994 -6.385 2.172 1.00 0.00 C ATOM 572 C ILE A 39 -21.323 -5.750 3.525 1.00 0.00 C ATOM 573 O ILE A 39 -22.376 -5.168 3.713 1.00 0.00 O ATOM 574 CB ILE A 39 -20.220 -5.392 1.287 1.00 0.00 C ATOM 575 CG1 ILE A 39 -20.948 -4.041 1.251 1.00 0.00 C ATOM 576 CG2 ILE A 39 -20.095 -5.945 -0.136 1.00 0.00 C ATOM 577 CD1 ILE A 39 -20.139 -3.044 0.416 1.00 0.00 C ATOM 0 H ILE A 39 -22.907 -5.946 1.323 1.00 0.00 H new ATOM 0 HA ILE A 39 -20.400 -7.279 2.364 1.00 0.00 H new ATOM 0 HB ILE A 39 -19.224 -5.252 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -21.944 -4.164 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -21.080 -3.660 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -19.546 -5.236 -0.755 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -19.561 -6.895 -0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -21.089 -6.099 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.657 -2.085 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.153 -2.912 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -20.030 -3.424 -0.600 1.00 0.00 H new ATOM 589 N SER A 40 -20.423 -5.855 4.461 1.00 0.00 N ATOM 590 CA SER A 40 -20.657 -5.258 5.806 1.00 0.00 C ATOM 591 C SER A 40 -20.275 -3.776 5.780 1.00 0.00 C ATOM 592 O SER A 40 -19.517 -3.342 4.931 1.00 0.00 O ATOM 593 CB SER A 40 -19.740 -6.027 6.767 1.00 0.00 C ATOM 594 OG SER A 40 -19.485 -7.333 6.257 1.00 0.00 O ATOM 0 H SER A 40 -19.528 -6.332 4.352 1.00 0.00 H new ATOM 0 HA SER A 40 -21.701 -5.327 6.111 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.801 -5.488 6.896 1.00 0.00 H new ATOM 0 HB3 SER A 40 -20.206 -6.096 7.750 1.00 0.00 H new ATOM 0 HG SER A 40 -18.898 -7.817 6.875 1.00 0.00 H new ATOM 600 N PHE A 41 -20.782 -2.999 6.704 1.00 0.00 N ATOM 601 CA PHE A 41 -20.430 -1.544 6.735 1.00 0.00 C ATOM 602 C PHE A 41 -18.910 -1.384 6.852 1.00 0.00 C ATOM 603 O PHE A 41 -18.312 -0.565 6.181 1.00 0.00 O ATOM 604 CB PHE A 41 -21.134 -0.980 7.973 1.00 0.00 C ATOM 605 CG PHE A 41 -21.228 0.524 7.860 1.00 0.00 C ATOM 606 CD1 PHE A 41 -22.173 1.106 7.005 1.00 0.00 C ATOM 607 CD2 PHE A 41 -20.371 1.336 8.613 1.00 0.00 C ATOM 608 CE1 PHE A 41 -22.260 2.500 6.903 1.00 0.00 C ATOM 609 CE2 PHE A 41 -20.458 2.729 8.510 1.00 0.00 C ATOM 610 CZ PHE A 41 -21.403 3.311 7.655 1.00 0.00 C ATOM 0 H PHE A 41 -21.422 -3.307 7.436 1.00 0.00 H new ATOM 0 HA PHE A 41 -20.741 -1.021 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -22.131 -1.411 8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -20.584 -1.254 8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.834 0.480 6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -19.643 0.887 9.273 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -22.988 2.949 6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -19.796 3.356 9.090 1.00 0.00 H new ATOM 0 HZ PHE A 41 -21.470 4.386 7.576 1.00 0.00 H new ATOM 620 N SER A 42 -18.282 -2.179 7.688 1.00 0.00 N ATOM 621 CA SER A 42 -16.797 -2.096 7.842 1.00 0.00 C ATOM 622 C SER A 42 -16.110 -2.558 6.550 1.00 0.00 C ATOM 623 O SER A 42 -15.078 -2.040 6.170 1.00 0.00 O ATOM 624 CB SER A 42 -16.454 -3.042 8.995 1.00 0.00 C ATOM 625 OG SER A 42 -15.231 -2.631 9.597 1.00 0.00 O ATOM 0 H SER A 42 -18.737 -2.882 8.270 1.00 0.00 H new ATOM 0 HA SER A 42 -16.462 -1.078 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.255 -3.038 9.734 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.365 -4.064 8.627 1.00 0.00 H new ATOM 0 HG SER A 42 -15.011 -3.235 10.337 1.00 0.00 H new ATOM 631 N GLN A 43 -16.686 -3.521 5.867 1.00 0.00 N ATOM 632 CA GLN A 43 -16.078 -4.010 4.592 1.00 0.00 C ATOM 633 C GLN A 43 -16.134 -2.903 3.536 1.00 0.00 C ATOM 634 O GLN A 43 -15.187 -2.687 2.801 1.00 0.00 O ATOM 635 CB GLN A 43 -16.943 -5.204 4.169 1.00 0.00 C ATOM 636 CG GLN A 43 -16.056 -6.308 3.591 1.00 0.00 C ATOM 637 CD GLN A 43 -15.429 -7.115 4.732 1.00 0.00 C ATOM 638 OE1 GLN A 43 -14.223 -7.175 4.855 1.00 0.00 O ATOM 639 NE2 GLN A 43 -16.202 -7.741 5.579 1.00 0.00 N ATOM 0 H GLN A 43 -17.551 -3.988 6.140 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.032 -4.292 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.499 -5.583 5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -17.677 -4.889 3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -16.645 -6.963 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.275 -5.872 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.216 -7.692 5.477 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.792 -8.279 6.342 1.00 0.00 H new ATOM 648 N ALA A 44 -17.234 -2.195 3.469 1.00 0.00 N ATOM 649 CA ALA A 44 -17.366 -1.088 2.474 1.00 0.00 C ATOM 650 C ALA A 44 -16.534 0.125 2.912 1.00 0.00 C ATOM 651 O ALA A 44 -16.084 0.906 2.095 1.00 0.00 O ATOM 652 CB ALA A 44 -18.857 -0.744 2.463 1.00 0.00 C ATOM 0 H ALA A 44 -18.050 -2.338 4.064 1.00 0.00 H new ATOM 0 HA ALA A 44 -17.006 -1.375 1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.039 0.064 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -19.431 -1.622 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -19.165 -0.428 3.460 1.00 0.00 H new ATOM 658 N ARG A 45 -16.325 0.281 4.198 1.00 0.00 N ATOM 659 CA ARG A 45 -15.519 1.434 4.698 1.00 0.00 C ATOM 660 C ARG A 45 -14.027 1.194 4.441 1.00 0.00 C ATOM 661 O ARG A 45 -13.284 2.114 4.150 1.00 0.00 O ATOM 662 CB ARG A 45 -15.794 1.495 6.206 1.00 0.00 C ATOM 663 CG ARG A 45 -16.140 2.930 6.610 1.00 0.00 C ATOM 664 CD ARG A 45 -17.646 3.161 6.451 1.00 0.00 C ATOM 665 NE ARG A 45 -17.774 4.563 5.961 1.00 0.00 N ATOM 666 CZ ARG A 45 -18.758 5.317 6.377 1.00 0.00 C ATOM 667 NH1 ARG A 45 -18.804 5.696 7.627 1.00 0.00 N ATOM 668 NH2 ARG A 45 -19.691 5.687 5.541 1.00 0.00 N ATOM 0 H ARG A 45 -16.680 -0.343 4.922 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.785 2.364 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.616 0.827 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.920 1.152 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.842 3.109 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.586 3.636 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.081 2.455 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.168 3.025 7.398 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.092 4.935 5.300 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.073 5.404 8.276 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.571 6.284 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.651 5.388 4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.460 6.275 5.863 1.00 0.00 H new ATOM 682 N SER A 46 -13.582 -0.037 4.554 1.00 0.00 N ATOM 683 CA SER A 46 -12.137 -0.340 4.326 1.00 0.00 C ATOM 684 C SER A 46 -11.773 -0.210 2.840 1.00 0.00 C ATOM 685 O SER A 46 -10.719 0.293 2.504 1.00 0.00 O ATOM 686 CB SER A 46 -11.948 -1.783 4.796 1.00 0.00 C ATOM 687 OG SER A 46 -10.582 -1.992 5.136 1.00 0.00 O ATOM 0 H SER A 46 -14.160 -0.843 4.794 1.00 0.00 H new ATOM 0 HA SER A 46 -11.494 0.356 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.584 -1.983 5.658 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.249 -2.476 4.010 1.00 0.00 H new ATOM 0 HG SER A 46 -10.458 -2.916 5.439 1.00 0.00 H new ATOM 693 N CYS A 47 -12.626 -0.665 1.949 1.00 0.00 N ATOM 694 CA CYS A 47 -12.302 -0.567 0.490 1.00 0.00 C ATOM 695 C CYS A 47 -12.431 0.874 -0.013 1.00 0.00 C ATOM 696 O CYS A 47 -11.742 1.274 -0.930 1.00 0.00 O ATOM 697 CB CYS A 47 -13.311 -1.465 -0.223 1.00 0.00 C ATOM 698 SG CYS A 47 -12.781 -1.689 -1.940 1.00 0.00 S ATOM 0 H CYS A 47 -13.524 -1.096 2.168 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.274 -0.874 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.379 -2.430 0.280 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.304 -1.017 -0.190 1.00 0.00 H new ATOM 703 N CYS A 48 -13.308 1.655 0.565 1.00 0.00 N ATOM 704 CA CYS A 48 -13.469 3.067 0.097 1.00 0.00 C ATOM 705 C CYS A 48 -12.194 3.875 0.372 1.00 0.00 C ATOM 706 O CYS A 48 -11.753 4.653 -0.452 1.00 0.00 O ATOM 707 CB CYS A 48 -14.634 3.633 0.908 1.00 0.00 C ATOM 708 SG CYS A 48 -14.920 5.359 0.442 1.00 0.00 S ATOM 0 H CYS A 48 -13.916 1.379 1.336 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.654 3.116 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.534 3.044 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.415 3.565 1.974 1.00 0.00 H new ATOM 713 N SER A 49 -11.608 3.703 1.529 1.00 0.00 N ATOM 714 CA SER A 49 -10.370 4.468 1.869 1.00 0.00 C ATOM 715 C SER A 49 -9.117 3.802 1.286 1.00 0.00 C ATOM 716 O SER A 49 -8.116 4.454 1.061 1.00 0.00 O ATOM 717 CB SER A 49 -10.316 4.462 3.398 1.00 0.00 C ATOM 718 OG SER A 49 -9.213 5.244 3.832 1.00 0.00 O ATOM 0 H SER A 49 -11.934 3.065 2.255 1.00 0.00 H new ATOM 0 HA SER A 49 -10.395 5.475 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.244 4.862 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.219 3.441 3.766 1.00 0.00 H new ATOM 0 HG SER A 49 -9.177 5.243 4.811 1.00 0.00 H new ATOM 724 N ARG A 50 -9.155 2.517 1.052 1.00 0.00 N ATOM 725 CA ARG A 50 -7.949 1.822 0.501 1.00 0.00 C ATOM 726 C ARG A 50 -7.980 1.765 -1.034 1.00 0.00 C ATOM 727 O ARG A 50 -6.945 1.690 -1.668 1.00 0.00 O ATOM 728 CB ARG A 50 -7.999 0.408 1.086 1.00 0.00 C ATOM 729 CG ARG A 50 -7.634 0.453 2.574 1.00 0.00 C ATOM 730 CD ARG A 50 -6.195 -0.034 2.768 1.00 0.00 C ATOM 731 NE ARG A 50 -6.281 -1.523 2.749 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.250 -2.232 2.376 1.00 0.00 C ATOM 733 NH1 ARG A 50 -5.086 -2.532 1.114 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.385 -2.642 3.265 1.00 0.00 N ATOM 0 H ARG A 50 -9.964 1.918 1.217 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.034 2.351 0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.996 -0.014 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.307 -0.242 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.738 1.470 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.320 -0.172 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.544 0.333 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.781 0.325 3.711 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.145 -1.987 3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.763 -2.212 0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.281 -3.086 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.515 -2.408 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.579 -3.196 2.975 1.00 0.00 H new ATOM 748 N LEU A 51 -9.146 1.782 -1.639 1.00 0.00 N ATOM 749 CA LEU A 51 -9.210 1.705 -3.136 1.00 0.00 C ATOM 750 C LEU A 51 -10.238 2.683 -3.733 1.00 0.00 C ATOM 751 O LEU A 51 -10.449 2.692 -4.932 1.00 0.00 O ATOM 752 CB LEU A 51 -9.634 0.264 -3.431 1.00 0.00 C ATOM 753 CG LEU A 51 -8.405 -0.648 -3.441 1.00 0.00 C ATOM 754 CD1 LEU A 51 -8.821 -2.072 -3.066 1.00 0.00 C ATOM 755 CD2 LEU A 51 -7.781 -0.652 -4.840 1.00 0.00 C ATOM 0 H LEU A 51 -10.048 1.845 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.252 1.976 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.345 -0.077 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.142 0.215 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.676 -0.280 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.945 -2.721 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.264 -2.071 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.551 -2.440 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.906 -1.302 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.510 -1.019 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.482 0.361 -5.108 1.00 0.00 H new ATOM 767 N GLY A 52 -10.885 3.494 -2.929 1.00 0.00 N ATOM 768 CA GLY A 52 -11.898 4.443 -3.489 1.00 0.00 C ATOM 769 C GLY A 52 -13.083 3.654 -4.072 1.00 0.00 C ATOM 770 O GLY A 52 -13.741 4.102 -4.992 1.00 0.00 O ATOM 0 H GLY A 52 -10.757 3.540 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.248 5.119 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.443 5.060 -4.264 1.00 0.00 H new ATOM 774 N ARG A 53 -13.355 2.479 -3.547 1.00 0.00 N ATOM 775 CA ARG A 53 -14.488 1.659 -4.073 1.00 0.00 C ATOM 776 C ARG A 53 -15.538 1.436 -2.981 1.00 0.00 C ATOM 777 O ARG A 53 -15.216 1.282 -1.819 1.00 0.00 O ATOM 778 CB ARG A 53 -13.860 0.326 -4.491 1.00 0.00 C ATOM 779 CG ARG A 53 -13.321 0.434 -5.923 1.00 0.00 C ATOM 780 CD ARG A 53 -14.483 0.355 -6.922 1.00 0.00 C ATOM 781 NE ARG A 53 -14.646 1.743 -7.447 1.00 0.00 N ATOM 782 CZ ARG A 53 -15.365 1.957 -8.518 1.00 0.00 C ATOM 783 NH1 ARG A 53 -16.665 1.827 -8.467 1.00 0.00 N ATOM 784 NH2 ARG A 53 -14.783 2.299 -9.638 1.00 0.00 N ATOM 0 H ARG A 53 -12.838 2.056 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.994 2.149 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.053 0.063 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.601 -0.471 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.784 1.374 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.609 -0.369 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.263 -0.347 -7.727 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.396 0.008 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.196 2.525 -6.970 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.117 1.559 -7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.227 1.994 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.769 2.399 -9.676 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.343 2.466 -10.474 1.00 0.00 H new ATOM 798 N CYS A 54 -16.795 1.437 -3.358 1.00 0.00 N ATOM 799 CA CYS A 54 -17.911 1.245 -2.374 1.00 0.00 C ATOM 800 C CYS A 54 -17.891 2.394 -1.364 1.00 0.00 C ATOM 801 O CYS A 54 -17.862 2.197 -0.164 1.00 0.00 O ATOM 802 CB CYS A 54 -17.668 -0.111 -1.690 1.00 0.00 C ATOM 803 SG CYS A 54 -18.585 -1.421 -2.555 1.00 0.00 S ATOM 0 H CYS A 54 -17.101 1.565 -4.323 1.00 0.00 H new ATOM 0 HA CYS A 54 -18.890 1.248 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -16.603 -0.341 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -17.984 -0.063 -0.648 1.00 0.00 H new ATOM 808 N CYS A 55 -17.894 3.598 -1.867 1.00 0.00 N ATOM 809 CA CYS A 55 -17.860 4.796 -0.984 1.00 0.00 C ATOM 810 C CYS A 55 -19.272 5.376 -0.771 1.00 0.00 C ATOM 811 O CYS A 55 -19.449 6.315 -0.017 1.00 0.00 O ATOM 812 CB CYS A 55 -16.972 5.784 -1.738 1.00 0.00 C ATOM 813 SG CYS A 55 -15.239 5.297 -1.553 1.00 0.00 S ATOM 0 H CYS A 55 -17.919 3.804 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 55 -17.484 4.566 0.013 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -17.245 5.803 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.121 6.792 -1.352 1.00 0.00 H new ATOM 818 N HIS A 56 -20.275 4.825 -1.419 1.00 0.00 N ATOM 819 CA HIS A 56 -21.666 5.341 -1.245 1.00 0.00 C ATOM 820 C HIS A 56 -22.586 4.210 -0.761 1.00 0.00 C ATOM 821 O HIS A 56 -23.682 4.025 -1.259 1.00 0.00 O ATOM 822 CB HIS A 56 -22.081 5.834 -2.637 1.00 0.00 C ATOM 823 CG HIS A 56 -23.167 6.868 -2.504 1.00 0.00 C ATOM 824 ND1 HIS A 56 -24.470 6.534 -2.172 1.00 0.00 N ATOM 825 CD2 HIS A 56 -23.157 8.232 -2.655 1.00 0.00 C ATOM 826 CE1 HIS A 56 -25.185 7.672 -2.135 1.00 0.00 C ATOM 827 NE2 HIS A 56 -24.433 8.739 -2.421 1.00 0.00 N ATOM 0 H HIS A 56 -20.185 4.038 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 56 -21.731 6.137 -0.503 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -21.221 6.260 -3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -22.434 4.997 -3.240 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -24.823 5.595 -1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -22.291 8.823 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -26.239 7.718 -1.902 1.00 0.00 H new ATOM 835 N VAL A 57 -22.139 3.448 0.206 1.00 0.00 N ATOM 836 CA VAL A 57 -22.971 2.321 0.733 1.00 0.00 C ATOM 837 C VAL A 57 -23.801 2.792 1.933 1.00 0.00 C ATOM 838 O VAL A 57 -23.272 3.094 2.987 1.00 0.00 O ATOM 839 CB VAL A 57 -21.969 1.240 1.162 1.00 0.00 C ATOM 840 CG1 VAL A 57 -22.718 -0.055 1.492 1.00 0.00 C ATOM 841 CG2 VAL A 57 -20.975 0.972 0.028 1.00 0.00 C ATOM 0 H VAL A 57 -21.230 3.558 0.655 1.00 0.00 H new ATOM 0 HA VAL A 57 -23.672 1.947 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 57 -21.429 1.586 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.004 -0.821 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.422 0.128 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.262 -0.395 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.267 0.204 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -21.514 0.632 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -20.435 1.889 -0.207 1.00 0.00 H new ATOM 851 N GLY A 58 -25.102 2.856 1.778 1.00 0.00 N ATOM 852 CA GLY A 58 -25.975 3.306 2.903 1.00 0.00 C ATOM 853 C GLY A 58 -25.959 4.834 2.980 1.00 0.00 C ATOM 854 O GLY A 58 -25.152 5.419 3.678 1.00 0.00 O ATOM 0 H GLY A 58 -25.596 2.615 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -26.994 2.949 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -25.624 2.880 3.843 1.00 0.00 H new ATOM 858 N LYS A 59 -26.846 5.484 2.266 1.00 0.00 N ATOM 859 CA LYS A 59 -26.886 6.979 2.291 1.00 0.00 C ATOM 860 C LYS A 59 -28.260 7.491 1.839 1.00 0.00 C ATOM 861 O LYS A 59 -28.851 6.971 0.911 1.00 0.00 O ATOM 862 CB LYS A 59 -25.799 7.425 1.307 1.00 0.00 C ATOM 863 CG LYS A 59 -24.844 8.398 2.003 1.00 0.00 C ATOM 864 CD LYS A 59 -24.002 9.132 0.956 1.00 0.00 C ATOM 865 CE LYS A 59 -24.734 10.400 0.502 1.00 0.00 C ATOM 866 NZ LYS A 59 -23.752 11.137 -0.345 1.00 0.00 N ATOM 0 H LYS A 59 -27.544 5.043 1.667 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.718 7.373 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.248 6.559 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -26.254 7.904 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -25.410 9.116 2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -24.195 7.856 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.029 9.392 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.818 8.481 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -25.634 10.155 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.047 11.001 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.093 12.106 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -22.832 11.171 0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -23.645 10.649 -1.257 1.00 0.00 H new ATOM 880 N GLY A 60 -28.767 8.510 2.489 1.00 0.00 N ATOM 881 CA GLY A 60 -30.099 9.066 2.104 1.00 0.00 C ATOM 882 C GLY A 60 -31.211 8.297 2.822 1.00 0.00 C ATOM 883 O GLY A 60 -31.299 7.087 2.732 1.00 0.00 O ATOM 0 H GLY A 60 -28.313 8.981 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -30.150 10.123 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -30.234 8.995 1.025 1.00 0.00 H new ATOM 887 N TYR A 61 -32.064 8.994 3.531 1.00 0.00 N ATOM 888 CA TYR A 61 -33.177 8.311 4.255 1.00 0.00 C ATOM 889 C TYR A 61 -34.316 7.976 3.285 1.00 0.00 C ATOM 890 O TYR A 61 -34.386 8.502 2.189 1.00 0.00 O ATOM 891 CB TYR A 61 -33.648 9.316 5.312 1.00 0.00 C ATOM 892 CG TYR A 61 -34.177 8.577 6.519 1.00 0.00 C ATOM 893 CD1 TYR A 61 -33.295 8.129 7.510 1.00 0.00 C ATOM 894 CD2 TYR A 61 -35.551 8.340 6.647 1.00 0.00 C ATOM 895 CE1 TYR A 61 -33.787 7.446 8.627 1.00 0.00 C ATOM 896 CE2 TYR A 61 -36.043 7.656 7.764 1.00 0.00 C ATOM 897 CZ TYR A 61 -35.161 7.209 8.756 1.00 0.00 C ATOM 898 OH TYR A 61 -35.645 6.534 9.857 1.00 0.00 O ATOM 0 H TYR A 61 -32.036 10.008 3.639 1.00 0.00 H new ATOM 0 HA TYR A 61 -32.857 7.371 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -32.822 9.965 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -34.426 9.957 4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -32.235 8.311 7.412 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -36.232 8.685 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -33.106 7.101 9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -37.103 7.473 7.861 1.00 0.00 H new ATOM 0 HH TYR A 61 -36.620 6.456 9.790 1.00 0.00 H new ATOM 908 N SER A 62 -35.205 7.106 3.685 1.00 0.00 N ATOM 909 CA SER A 62 -36.347 6.727 2.799 1.00 0.00 C ATOM 910 C SER A 62 -37.424 7.818 2.820 1.00 0.00 C ATOM 911 O SER A 62 -37.420 8.694 3.665 1.00 0.00 O ATOM 912 CB SER A 62 -36.897 5.424 3.382 1.00 0.00 C ATOM 913 OG SER A 62 -35.862 4.448 3.416 1.00 0.00 O ATOM 0 H SER A 62 -35.190 6.639 4.592 1.00 0.00 H new ATOM 0 HA SER A 62 -36.034 6.608 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 62 -37.283 5.596 4.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 -37.730 5.066 2.778 1.00 0.00 H new ATOM 0 HG SER A 62 -36.212 3.613 3.791 1.00 0.00 H new ATOM 919 N GLY A 63 -38.347 7.764 1.895 1.00 0.00 N ATOM 920 CA GLY A 63 -39.431 8.789 1.850 1.00 0.00 C ATOM 921 C GLY A 63 -40.478 8.381 0.812 1.00 0.00 C ATOM 922 O GLY A 63 -40.356 8.810 -0.323 1.00 0.00 O ATOM 923 OXT GLY A 63 -41.382 7.645 1.170 1.00 0.00 O ATOM 0 H GLY A 63 -38.396 7.052 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -39.895 8.886 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -39.014 9.764 1.597 1.00 0.00 H new TER 927 GLY A 63