USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 SER N :NH3+ -108:sc= 0.53 (180deg=0.0174) USER MOD Single : A 1 SER OG : rot 180:sc= 0.19 USER MOD Single : A 3 THR OG1 : rot -170:sc= -0.106 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 8 ASN : amide:sc= 0.225 X(o=0.22,f=0) USER MOD Single : A 9 THR OG1 : rot -170:sc= 0.143 USER MOD Single : A 11 SER OG : rot 180:sc= -0.321 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= 1.25 (180deg=-0.474) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0413 USER MOD Single : A 23 MET CE :methyl -168:sc= 0 (180deg=-0.136) USER MOD Single : A 24 SER OG : rot -73:sc= 0.117 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -160:sc= -0.782 USER MOD Single : A 39 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.5!) USER MOD Single : A 43 SER OG : rot 77:sc= 1.39 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= 1.31 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ -112:sc= 2.36 (180deg=-1.32) USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 56 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 62 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= 1.09 K(o=1.1,f=0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.623 7.408 5.837 1.00 0.00 N ATOM 2 CA SER A 1 13.077 6.236 5.061 1.00 0.00 C ATOM 3 C SER A 1 12.676 6.397 3.603 1.00 0.00 C ATOM 4 O SER A 1 11.591 6.886 3.314 1.00 0.00 O ATOM 5 CB SER A 1 12.464 4.964 5.649 1.00 0.00 C ATOM 6 OG SER A 1 11.988 5.194 6.968 1.00 0.00 O ATOM 0 H1 SER A 1 13.444 7.992 6.096 1.00 0.00 H new ATOM 0 H2 SER A 1 11.965 7.971 5.262 1.00 0.00 H new ATOM 0 H3 SER A 1 12.141 7.087 6.701 1.00 0.00 H new ATOM 0 HA SER A 1 14.163 6.160 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.644 4.624 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.209 4.168 5.660 1.00 0.00 H new ATOM 0 HG SER A 1 11.599 4.368 7.324 1.00 0.00 H new ATOM 14 N ALA A 2 13.559 6.020 2.689 1.00 0.00 N ATOM 15 CA ALA A 2 13.282 6.146 1.267 1.00 0.00 C ATOM 16 C ALA A 2 13.353 4.793 0.574 1.00 0.00 C ATOM 17 O ALA A 2 14.377 4.111 0.618 1.00 0.00 O ATOM 18 CB ALA A 2 14.255 7.123 0.625 1.00 0.00 C ATOM 0 H ALA A 2 14.473 5.624 2.908 1.00 0.00 H new ATOM 0 HA ALA A 2 12.269 6.531 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.036 7.208 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.152 8.101 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.275 6.761 0.758 1.00 0.00 H new ATOM 24 N THR A 3 12.251 4.402 -0.048 1.00 0.00 N ATOM 25 CA THR A 3 12.195 3.161 -0.809 1.00 0.00 C ATOM 26 C THR A 3 11.379 3.359 -2.084 1.00 0.00 C ATOM 27 O THR A 3 10.482 4.199 -2.121 1.00 0.00 O ATOM 28 CB THR A 3 11.584 2.024 0.032 1.00 0.00 C ATOM 29 OG1 THR A 3 11.628 2.378 1.421 1.00 0.00 O ATOM 30 CG2 THR A 3 12.333 0.718 -0.190 1.00 0.00 C ATOM 0 H THR A 3 11.378 4.929 -0.041 1.00 0.00 H new ATOM 0 HA THR A 3 13.215 2.883 -1.075 1.00 0.00 H new ATOM 0 HB THR A 3 10.549 1.881 -0.279 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.388 1.599 1.965 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.881 -0.068 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.278 0.442 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.377 0.844 0.098 1.00 0.00 H new ATOM 38 N THR A 4 11.688 2.590 -3.119 1.00 0.00 N ATOM 39 CA THR A 4 11.045 2.755 -4.415 1.00 0.00 C ATOM 40 C THR A 4 9.650 2.140 -4.432 1.00 0.00 C ATOM 41 O THR A 4 9.435 1.041 -3.913 1.00 0.00 O ATOM 42 CB THR A 4 11.890 2.107 -5.524 1.00 0.00 C ATOM 43 OG1 THR A 4 13.226 1.883 -5.047 1.00 0.00 O ATOM 44 CG2 THR A 4 11.928 2.985 -6.762 1.00 0.00 C ATOM 0 H THR A 4 12.382 1.843 -3.086 1.00 0.00 H new ATOM 0 HA THR A 4 10.958 3.827 -4.595 1.00 0.00 H new ATOM 0 HB THR A 4 11.432 1.155 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.761 1.468 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.532 2.504 -7.531 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.914 3.131 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.365 3.951 -6.510 1.00 0.00 H new ATOM 52 N ILE A 5 8.702 2.863 -5.017 1.00 0.00 N ATOM 53 CA ILE A 5 7.328 2.398 -5.092 1.00 0.00 C ATOM 54 C ILE A 5 6.981 1.880 -6.483 1.00 0.00 C ATOM 55 O ILE A 5 7.159 2.578 -7.485 1.00 0.00 O ATOM 56 CB ILE A 5 6.324 3.506 -4.730 1.00 0.00 C ATOM 57 CG1 ILE A 5 6.689 4.160 -3.398 1.00 0.00 C ATOM 58 CG2 ILE A 5 4.923 2.927 -4.674 1.00 0.00 C ATOM 59 CD1 ILE A 5 5.783 5.314 -3.032 1.00 0.00 C ATOM 0 H ILE A 5 8.863 3.774 -5.446 1.00 0.00 H new ATOM 0 HA ILE A 5 7.252 1.587 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 5 6.361 4.277 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.647 3.409 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.718 4.516 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.214 3.714 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.663 2.508 -5.646 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.883 2.143 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.096 5.734 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.843 6.082 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.755 4.959 -2.953 1.00 0.00 H new ATOM 71 N GLY A 6 6.478 0.657 -6.528 1.00 0.00 N ATOM 72 CA GLY A 6 5.989 0.089 -7.761 1.00 0.00 C ATOM 73 C GLY A 6 5.067 -1.078 -7.492 1.00 0.00 C ATOM 74 O GLY A 6 5.149 -1.687 -6.426 1.00 0.00 O ATOM 0 H GLY A 6 6.400 0.041 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.459 0.852 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.829 -0.240 -8.372 1.00 0.00 H new ATOM 78 N PRO A 7 4.169 -1.415 -8.428 1.00 0.00 N ATOM 79 CA PRO A 7 3.252 -2.556 -8.279 1.00 0.00 C ATOM 80 C PRO A 7 3.988 -3.891 -8.167 1.00 0.00 C ATOM 81 O PRO A 7 3.373 -4.931 -7.933 1.00 0.00 O ATOM 82 CB PRO A 7 2.408 -2.518 -9.562 1.00 0.00 C ATOM 83 CG PRO A 7 3.211 -1.717 -10.524 1.00 0.00 C ATOM 84 CD PRO A 7 3.946 -0.704 -9.696 1.00 0.00 C ATOM 0 HA PRO A 7 2.664 -2.478 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.222 -3.522 -9.943 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.435 -2.060 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.906 -2.350 -11.076 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.570 -1.231 -11.259 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.885 -0.406 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.359 0.203 -9.553 1.00 0.00 H new ATOM 92 N ASN A 8 5.307 -3.859 -8.332 1.00 0.00 N ATOM 93 CA ASN A 8 6.108 -5.068 -8.232 1.00 0.00 C ATOM 94 C ASN A 8 6.975 -5.064 -6.975 1.00 0.00 C ATOM 95 O ASN A 8 7.825 -5.940 -6.803 1.00 0.00 O ATOM 96 CB ASN A 8 6.984 -5.257 -9.472 1.00 0.00 C ATOM 97 CG ASN A 8 6.966 -6.695 -9.955 1.00 0.00 C ATOM 98 OD1 ASN A 8 6.309 -7.019 -10.944 1.00 0.00 O ATOM 99 ND2 ASN A 8 7.677 -7.565 -9.258 1.00 0.00 N ATOM 0 H ASN A 8 5.839 -3.012 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 8 5.414 -5.906 -8.166 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.634 -4.601 -10.269 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.008 -4.962 -9.243 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.695 -8.547 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.208 -7.254 -8.444 1.00 0.00 H new ATOM 106 N THR A 9 6.773 -4.075 -6.101 1.00 0.00 N ATOM 107 CA THR A 9 7.407 -4.095 -4.788 1.00 0.00 C ATOM 108 C THR A 9 6.913 -5.330 -4.042 1.00 0.00 C ATOM 109 O THR A 9 7.696 -6.104 -3.491 1.00 0.00 O ATOM 110 CB THR A 9 7.094 -2.816 -3.975 1.00 0.00 C ATOM 111 OG1 THR A 9 7.411 -1.648 -4.750 1.00 0.00 O ATOM 112 CG2 THR A 9 7.884 -2.787 -2.673 1.00 0.00 C ATOM 0 H THR A 9 6.183 -3.262 -6.278 1.00 0.00 H new ATOM 0 HA THR A 9 8.489 -4.129 -4.916 1.00 0.00 H new ATOM 0 HB THR A 9 6.030 -2.822 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.361 -0.853 -4.179 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.644 -1.877 -2.122 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.623 -3.656 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.951 -2.807 -2.894 1.00 0.00 H new ATOM 120 N CYS A 10 5.605 -5.515 -4.063 1.00 0.00 N ATOM 121 CA CYS A 10 4.999 -6.758 -3.631 1.00 0.00 C ATOM 122 C CYS A 10 4.753 -7.622 -4.864 1.00 0.00 C ATOM 123 O CYS A 10 4.776 -7.114 -5.984 1.00 0.00 O ATOM 124 CB CYS A 10 3.699 -6.482 -2.883 1.00 0.00 C ATOM 125 SG CYS A 10 3.769 -5.017 -1.804 1.00 0.00 S ATOM 0 H CYS A 10 4.938 -4.811 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 10 5.662 -7.285 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.895 -6.350 -3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.445 -7.354 -2.280 1.00 0.00 H new ATOM 130 N SER A 11 4.520 -8.917 -4.681 1.00 0.00 N ATOM 131 CA SER A 11 4.508 -9.843 -5.811 1.00 0.00 C ATOM 132 C SER A 11 3.969 -11.173 -5.343 1.00 0.00 C ATOM 133 O SER A 11 4.371 -12.237 -5.809 1.00 0.00 O ATOM 134 CB SER A 11 5.921 -10.019 -6.397 1.00 0.00 C ATOM 135 OG SER A 11 6.898 -9.310 -5.644 1.00 0.00 O ATOM 0 H SER A 11 4.339 -9.347 -3.774 1.00 0.00 H new ATOM 0 HA SER A 11 3.871 -9.438 -6.598 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.176 -11.078 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.933 -9.668 -7.429 1.00 0.00 H new ATOM 0 HG SER A 11 7.782 -9.446 -6.044 1.00 0.00 H new ATOM 141 N ILE A 12 3.048 -11.093 -4.408 1.00 0.00 N ATOM 142 CA ILE A 12 2.544 -12.270 -3.747 1.00 0.00 C ATOM 143 C ILE A 12 1.026 -12.299 -3.798 1.00 0.00 C ATOM 144 O ILE A 12 0.435 -12.475 -4.863 1.00 0.00 O ATOM 145 CB ILE A 12 3.024 -12.339 -2.277 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.495 -10.961 -1.788 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.140 -13.364 -2.135 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.867 -10.927 -0.322 1.00 0.00 C ATOM 0 H ILE A 12 2.633 -10.218 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 12 2.936 -13.139 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 12 2.183 -12.648 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.357 -10.651 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.705 -10.232 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.469 -13.403 -1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.773 -14.345 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.979 -13.079 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.189 -9.921 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.001 -11.205 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.679 -11.630 -0.136 1.00 0.00 H new ATOM 160 N ASP A 13 0.403 -12.083 -2.658 1.00 0.00 N ATOM 161 CA ASP A 13 -1.030 -12.261 -2.526 1.00 0.00 C ATOM 162 C ASP A 13 -1.794 -10.944 -2.571 1.00 0.00 C ATOM 163 O ASP A 13 -2.180 -10.410 -1.529 1.00 0.00 O ATOM 164 CB ASP A 13 -1.308 -12.972 -1.218 1.00 0.00 C ATOM 165 CG ASP A 13 -2.684 -13.608 -1.173 1.00 0.00 C ATOM 166 OD1 ASP A 13 -3.358 -13.674 -2.224 1.00 0.00 O ATOM 167 OD2 ASP A 13 -3.098 -14.053 -0.082 1.00 0.00 O ATOM 0 H ASP A 13 0.870 -11.782 -1.803 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.376 -12.852 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.552 -13.742 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.215 -12.261 -0.397 1.00 0.00 H new ATOM 172 N ASP A 14 -2.016 -10.435 -3.783 1.00 0.00 N ATOM 173 CA ASP A 14 -2.802 -9.210 -3.995 1.00 0.00 C ATOM 174 C ASP A 14 -2.326 -8.080 -3.084 1.00 0.00 C ATOM 175 O ASP A 14 -3.122 -7.352 -2.496 1.00 0.00 O ATOM 176 CB ASP A 14 -4.296 -9.491 -3.769 1.00 0.00 C ATOM 177 CG ASP A 14 -5.196 -8.365 -4.249 1.00 0.00 C ATOM 178 OD1 ASP A 14 -4.993 -7.875 -5.381 1.00 0.00 O ATOM 179 OD2 ASP A 14 -6.115 -7.968 -3.496 1.00 0.00 O ATOM 0 H ASP A 14 -1.661 -10.853 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.655 -8.889 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.568 -10.411 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.471 -9.659 -2.706 1.00 0.00 H new ATOM 184 N TYR A 15 -1.019 -7.946 -2.968 1.00 0.00 N ATOM 185 CA TYR A 15 -0.438 -6.930 -2.109 1.00 0.00 C ATOM 186 C TYR A 15 0.178 -5.825 -2.951 1.00 0.00 C ATOM 187 O TYR A 15 0.865 -6.097 -3.935 1.00 0.00 O ATOM 188 CB TYR A 15 0.612 -7.554 -1.187 1.00 0.00 C ATOM 189 CG TYR A 15 0.016 -8.341 -0.039 1.00 0.00 C ATOM 190 CD1 TYR A 15 -1.070 -7.850 0.676 1.00 0.00 C ATOM 191 CD2 TYR A 15 0.537 -9.575 0.325 1.00 0.00 C ATOM 192 CE1 TYR A 15 -1.620 -8.570 1.720 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.006 -10.300 1.367 1.00 0.00 C ATOM 194 CZ TYR A 15 -1.082 -9.794 2.061 1.00 0.00 C ATOM 195 OH TYR A 15 -1.628 -10.520 3.096 1.00 0.00 O ATOM 0 H TYR A 15 -0.339 -8.527 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.225 -6.497 -1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.254 -8.211 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.247 -6.764 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.491 -6.891 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.382 -9.975 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.465 -8.177 2.265 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.411 -11.259 1.636 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.132 -11.358 3.205 1.00 0.00 H new ATOM 205 N LYS A 16 -0.092 -4.588 -2.575 1.00 0.00 N ATOM 206 CA LYS A 16 0.421 -3.434 -3.299 1.00 0.00 C ATOM 207 C LYS A 16 1.228 -2.549 -2.352 1.00 0.00 C ATOM 208 O LYS A 16 1.084 -2.657 -1.133 1.00 0.00 O ATOM 209 CB LYS A 16 -0.733 -2.634 -3.927 1.00 0.00 C ATOM 210 CG LYS A 16 -2.114 -3.226 -3.680 1.00 0.00 C ATOM 211 CD LYS A 16 -2.648 -3.926 -4.916 1.00 0.00 C ATOM 212 CE LYS A 16 -3.903 -4.723 -4.603 1.00 0.00 C ATOM 213 NZ LYS A 16 -4.490 -5.336 -5.821 1.00 0.00 N ATOM 0 H LYS A 16 -0.668 -4.354 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 16 1.071 -3.782 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.711 -1.618 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.568 -2.564 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.065 -3.934 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.802 -2.435 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.867 -3.188 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.884 -4.591 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.665 -5.505 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.640 -4.070 -4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.932 -6.245 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.209 -4.698 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.741 -5.495 -6.525 1.00 0.00 H new ATOM 227 N PRO A 17 2.094 -1.674 -2.891 1.00 0.00 N ATOM 228 CA PRO A 17 2.903 -0.761 -2.075 1.00 0.00 C ATOM 229 C PRO A 17 2.048 0.305 -1.398 1.00 0.00 C ATOM 230 O PRO A 17 1.427 1.138 -2.064 1.00 0.00 O ATOM 231 CB PRO A 17 3.846 -0.117 -3.095 1.00 0.00 C ATOM 232 CG PRO A 17 3.095 -0.188 -4.377 1.00 0.00 C ATOM 233 CD PRO A 17 2.360 -1.497 -4.332 1.00 0.00 C ATOM 0 HA PRO A 17 3.419 -1.278 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.080 0.913 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.793 -0.654 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.403 0.649 -4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.770 -0.145 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.438 -1.463 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.961 -2.312 -4.735 1.00 0.00 H new ATOM 241 N TYR A 18 2.009 0.272 -0.079 1.00 0.00 N ATOM 242 CA TYR A 18 1.232 1.228 0.682 1.00 0.00 C ATOM 243 C TYR A 18 2.123 1.955 1.673 1.00 0.00 C ATOM 244 O TYR A 18 2.847 1.331 2.450 1.00 0.00 O ATOM 245 CB TYR A 18 0.087 0.525 1.414 1.00 0.00 C ATOM 246 CG TYR A 18 -1.142 0.312 0.558 1.00 0.00 C ATOM 247 CD1 TYR A 18 -1.276 -0.822 -0.232 1.00 0.00 C ATOM 248 CD2 TYR A 18 -2.171 1.242 0.542 1.00 0.00 C ATOM 249 CE1 TYR A 18 -2.401 -1.022 -1.011 1.00 0.00 C ATOM 250 CE2 TYR A 18 -3.298 1.051 -0.234 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.409 -0.083 -1.008 1.00 0.00 C ATOM 252 OH TYR A 18 -4.532 -0.281 -1.782 1.00 0.00 O ATOM 0 H TYR A 18 2.510 -0.411 0.489 1.00 0.00 H new ATOM 0 HA TYR A 18 0.805 1.957 -0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.438 -0.441 1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.188 1.113 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.488 -1.561 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.090 2.132 1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.489 -1.910 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.088 1.787 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.147 0.473 -1.665 1.00 0.00 H new ATOM 262 N CYS A 19 2.083 3.273 1.628 1.00 0.00 N ATOM 263 CA CYS A 19 2.858 4.087 2.541 1.00 0.00 C ATOM 264 C CYS A 19 2.074 4.307 3.824 1.00 0.00 C ATOM 265 O CYS A 19 1.309 5.263 3.941 1.00 0.00 O ATOM 266 CB CYS A 19 3.207 5.432 1.897 1.00 0.00 C ATOM 267 SG CYS A 19 4.997 5.760 1.772 1.00 0.00 S ATOM 0 H CYS A 19 1.518 3.804 0.965 1.00 0.00 H new ATOM 0 HA CYS A 19 3.787 3.567 2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.772 5.467 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.742 6.230 2.476 1.00 0.00 H new ATOM 272 N CYS A 20 2.239 3.392 4.765 1.00 0.00 N ATOM 273 CA CYS A 20 1.578 3.492 6.056 1.00 0.00 C ATOM 274 C CYS A 20 2.260 4.548 6.911 1.00 0.00 C ATOM 275 O CYS A 20 3.345 4.324 7.452 1.00 0.00 O ATOM 276 CB CYS A 20 1.591 2.138 6.766 1.00 0.00 C ATOM 277 SG CYS A 20 0.803 0.798 5.816 1.00 0.00 S ATOM 0 H CYS A 20 2.829 2.567 4.658 1.00 0.00 H new ATOM 0 HA CYS A 20 0.541 3.788 5.898 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.623 1.860 6.979 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.083 2.237 7.725 1.00 0.00 H new ATOM 282 N GLN A 21 1.627 5.706 7.009 1.00 0.00 N ATOM 283 CA GLN A 21 2.192 6.824 7.744 1.00 0.00 C ATOM 284 C GLN A 21 1.789 6.768 9.210 1.00 0.00 C ATOM 285 O GLN A 21 0.892 6.012 9.590 1.00 0.00 O ATOM 286 CB GLN A 21 1.739 8.147 7.128 1.00 0.00 C ATOM 287 CG GLN A 21 1.783 8.169 5.609 1.00 0.00 C ATOM 288 CD GLN A 21 2.301 9.483 5.061 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.215 9.509 4.237 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.729 10.584 5.525 1.00 0.00 N ATOM 0 H GLN A 21 0.718 5.896 6.587 1.00 0.00 H new ATOM 0 HA GLN A 21 3.278 6.756 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.721 8.358 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.370 8.949 7.511 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.418 7.357 5.256 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.783 7.985 5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.974 10.518 6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.043 11.498 5.200 1.00 0.00 H new ATOM 299 N SER A 22 2.459 7.575 10.021 1.00 0.00 N ATOM 300 CA SER A 22 2.192 7.637 11.449 1.00 0.00 C ATOM 301 C SER A 22 0.886 8.377 11.737 1.00 0.00 C ATOM 302 O SER A 22 0.277 8.965 10.837 1.00 0.00 O ATOM 303 CB SER A 22 3.359 8.327 12.154 1.00 0.00 C ATOM 304 OG SER A 22 4.535 8.252 11.364 1.00 0.00 O ATOM 0 H SER A 22 3.200 8.202 9.708 1.00 0.00 H new ATOM 0 HA SER A 22 2.086 6.620 11.827 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.109 9.371 12.346 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.534 7.858 13.122 1.00 0.00 H new ATOM 0 HG SER A 22 5.271 8.700 11.830 1.00 0.00 H new ATOM 310 N MET A 23 0.470 8.358 12.998 1.00 0.00 N ATOM 311 CA MET A 23 -0.788 8.964 13.405 1.00 0.00 C ATOM 312 C MET A 23 -0.618 10.451 13.684 1.00 0.00 C ATOM 313 O MET A 23 -0.652 10.887 14.836 1.00 0.00 O ATOM 314 CB MET A 23 -1.333 8.257 14.648 1.00 0.00 C ATOM 315 CG MET A 23 -2.035 6.945 14.337 1.00 0.00 C ATOM 316 SD MET A 23 -1.281 5.531 15.163 1.00 0.00 S ATOM 317 CE MET A 23 -0.406 4.774 13.796 1.00 0.00 C ATOM 0 H MET A 23 0.992 7.925 13.760 1.00 0.00 H new ATOM 0 HA MET A 23 -1.498 8.852 12.586 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.511 8.066 15.338 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.030 8.921 15.159 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.081 7.019 14.636 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.023 6.779 13.260 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.066 3.780 14.087 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.073 4.692 12.938 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.454 5.388 13.530 1.00 0.00 H new ATOM 327 N SER A 24 -0.413 11.222 12.629 1.00 0.00 N ATOM 328 CA SER A 24 -0.296 12.665 12.755 1.00 0.00 C ATOM 329 C SER A 24 -1.677 13.308 12.934 1.00 0.00 C ATOM 330 O SER A 24 -2.052 13.694 14.043 1.00 0.00 O ATOM 331 CB SER A 24 0.411 13.234 11.527 1.00 0.00 C ATOM 332 OG SER A 24 0.540 12.242 10.514 1.00 0.00 O ATOM 0 H SER A 24 -0.324 10.872 11.675 1.00 0.00 H new ATOM 0 HA SER A 24 0.296 12.895 13.641 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.150 14.085 11.140 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.397 13.604 11.808 1.00 0.00 H new ATOM 0 HG SER A 24 1.226 11.594 10.777 1.00 0.00 H new ATOM 338 N GLY A 25 -2.432 13.406 11.843 1.00 0.00 N ATOM 339 CA GLY A 25 -3.768 13.968 11.908 1.00 0.00 C ATOM 340 C GLY A 25 -4.839 12.896 11.912 1.00 0.00 C ATOM 341 O GLY A 25 -6.009 13.173 12.178 1.00 0.00 O ATOM 0 H GLY A 25 -2.140 13.105 10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.861 14.576 12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.923 14.631 11.057 1.00 0.00 H new ATOM 345 N SER A 26 -4.440 11.671 11.609 1.00 0.00 N ATOM 346 CA SER A 26 -5.360 10.544 11.610 1.00 0.00 C ATOM 347 C SER A 26 -4.868 9.466 12.565 1.00 0.00 C ATOM 348 O SER A 26 -3.712 9.052 12.499 1.00 0.00 O ATOM 349 CB SER A 26 -5.503 9.972 10.197 1.00 0.00 C ATOM 350 OG SER A 26 -5.623 11.009 9.234 1.00 0.00 O ATOM 0 H SER A 26 -3.481 11.431 11.358 1.00 0.00 H new ATOM 0 HA SER A 26 -6.337 10.892 11.945 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.637 9.353 9.963 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.379 9.325 10.150 1.00 0.00 H new ATOM 0 HG SER A 26 -5.711 10.617 8.340 1.00 0.00 H new ATOM 356 N ALA A 27 -5.748 9.011 13.447 1.00 0.00 N ATOM 357 CA ALA A 27 -5.393 8.006 14.442 1.00 0.00 C ATOM 358 C ALA A 27 -5.638 6.599 13.907 1.00 0.00 C ATOM 359 O ALA A 27 -6.197 5.743 14.593 1.00 0.00 O ATOM 360 CB ALA A 27 -6.169 8.235 15.730 1.00 0.00 C ATOM 0 H ALA A 27 -6.718 9.323 13.494 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.329 8.102 14.659 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.892 7.476 16.462 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.934 9.223 16.126 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.238 8.170 15.527 1.00 0.00 H new ATOM 366 N SER A 28 -5.205 6.368 12.681 1.00 0.00 N ATOM 367 CA SER A 28 -5.378 5.084 12.032 1.00 0.00 C ATOM 368 C SER A 28 -4.128 4.738 11.234 1.00 0.00 C ATOM 369 O SER A 28 -3.211 5.555 11.128 1.00 0.00 O ATOM 370 CB SER A 28 -6.596 5.131 11.107 1.00 0.00 C ATOM 371 OG SER A 28 -7.227 6.408 11.144 1.00 0.00 O ATOM 0 H SER A 28 -4.725 7.064 12.110 1.00 0.00 H new ATOM 0 HA SER A 28 -5.538 4.317 12.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.289 4.905 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.310 4.362 11.403 1.00 0.00 H new ATOM 0 HG SER A 28 -8.000 6.408 10.542 1.00 0.00 H new ATOM 377 N LEU A 29 -4.085 3.537 10.675 1.00 0.00 N ATOM 378 CA LEU A 29 -2.986 3.161 9.805 1.00 0.00 C ATOM 379 C LEU A 29 -3.202 3.773 8.429 1.00 0.00 C ATOM 380 O LEU A 29 -3.848 3.176 7.561 1.00 0.00 O ATOM 381 CB LEU A 29 -2.868 1.637 9.707 1.00 0.00 C ATOM 382 CG LEU A 29 -1.682 1.022 10.463 1.00 0.00 C ATOM 383 CD1 LEU A 29 -0.379 1.275 9.722 1.00 0.00 C ATOM 384 CD2 LEU A 29 -1.599 1.581 11.877 1.00 0.00 C ATOM 0 H LEU A 29 -4.792 2.814 10.808 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.053 3.539 10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.789 1.193 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.790 1.362 8.655 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.842 -0.055 10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.447 0.830 10.277 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.432 0.828 8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.216 2.349 9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.752 1.133 12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.467 2.662 11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.518 1.349 12.415 1.00 0.00 H new ATOM 396 N GLY A 30 -2.679 4.984 8.252 1.00 0.00 N ATOM 397 CA GLY A 30 -2.858 5.701 7.009 1.00 0.00 C ATOM 398 C GLY A 30 -1.959 5.180 5.910 1.00 0.00 C ATOM 399 O GLY A 30 -0.980 5.827 5.538 1.00 0.00 O ATOM 0 H GLY A 30 -2.132 5.481 8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.898 5.621 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.654 6.760 7.170 1.00 0.00 H new ATOM 403 N CYS A 31 -2.276 3.995 5.418 1.00 0.00 N ATOM 404 CA CYS A 31 -1.549 3.399 4.316 1.00 0.00 C ATOM 405 C CYS A 31 -2.104 3.894 2.990 1.00 0.00 C ATOM 406 O CYS A 31 -3.070 3.343 2.464 1.00 0.00 O ATOM 407 CB CYS A 31 -1.642 1.874 4.385 1.00 0.00 C ATOM 408 SG CYS A 31 -1.184 1.172 6.003 1.00 0.00 S ATOM 0 H CYS A 31 -3.042 3.422 5.771 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.502 3.693 4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.662 1.572 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.995 1.446 3.619 1.00 0.00 H new ATOM 413 N VAL A 32 -1.510 4.949 2.464 1.00 0.00 N ATOM 414 CA VAL A 32 -1.909 5.469 1.164 1.00 0.00 C ATOM 415 C VAL A 32 -1.200 4.700 0.060 1.00 0.00 C ATOM 416 O VAL A 32 -0.058 4.275 0.240 1.00 0.00 O ATOM 417 CB VAL A 32 -1.589 6.973 1.013 1.00 0.00 C ATOM 418 CG1 VAL A 32 -2.769 7.707 0.398 1.00 0.00 C ATOM 419 CG2 VAL A 32 -1.209 7.594 2.351 1.00 0.00 C ATOM 0 H VAL A 32 -0.752 5.463 2.913 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.989 5.343 1.085 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.732 7.070 0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.527 8.765 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.984 7.290 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.643 7.593 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.990 8.653 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.037 7.484 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.328 7.090 2.749 1.00 0.00 H new ATOM 429 N VAL A 33 -1.875 4.511 -1.071 1.00 0.00 N ATOM 430 CA VAL A 33 -1.272 3.818 -2.204 1.00 0.00 C ATOM 431 C VAL A 33 -0.012 4.543 -2.643 1.00 0.00 C ATOM 432 O VAL A 33 -0.012 5.765 -2.799 1.00 0.00 O ATOM 433 CB VAL A 33 -2.224 3.706 -3.413 1.00 0.00 C ATOM 434 CG1 VAL A 33 -1.723 2.643 -4.385 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.644 3.394 -2.964 1.00 0.00 C ATOM 0 H VAL A 33 -2.833 4.826 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.042 2.808 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.238 4.668 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.405 2.575 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.729 2.914 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.677 1.679 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.294 3.321 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.655 2.448 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.002 4.190 -2.311 1.00 0.00 H new ATOM 445 N GLY A 34 1.061 3.789 -2.815 1.00 0.00 N ATOM 446 CA GLY A 34 2.319 4.372 -3.213 1.00 0.00 C ATOM 447 C GLY A 34 2.266 4.983 -4.597 1.00 0.00 C ATOM 448 O GLY A 34 1.584 4.469 -5.486 1.00 0.00 O ATOM 0 H GLY A 34 1.081 2.778 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.604 5.138 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.094 3.606 -3.187 1.00 0.00 H new ATOM 452 N VAL A 35 2.980 6.081 -4.779 1.00 0.00 N ATOM 453 CA VAL A 35 3.096 6.707 -6.085 1.00 0.00 C ATOM 454 C VAL A 35 4.122 5.951 -6.917 1.00 0.00 C ATOM 455 O VAL A 35 5.326 6.071 -6.690 1.00 0.00 O ATOM 456 CB VAL A 35 3.512 8.192 -5.991 1.00 0.00 C ATOM 457 CG1 VAL A 35 2.834 9.004 -7.082 1.00 0.00 C ATOM 458 CG2 VAL A 35 3.191 8.769 -4.618 1.00 0.00 C ATOM 0 H VAL A 35 3.490 6.559 -4.036 1.00 0.00 H new ATOM 0 HA VAL A 35 2.113 6.669 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 35 4.591 8.248 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.138 10.048 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.125 8.616 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.752 8.932 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.495 9.815 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.119 8.696 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.729 8.209 -3.853 1.00 0.00 H new ATOM 468 N ILE A 36 3.636 5.151 -7.853 1.00 0.00 N ATOM 469 CA ILE A 36 4.500 4.340 -8.699 1.00 0.00 C ATOM 470 C ILE A 36 5.487 5.214 -9.464 1.00 0.00 C ATOM 471 O ILE A 36 5.091 6.072 -10.255 1.00 0.00 O ATOM 472 CB ILE A 36 3.680 3.498 -9.695 1.00 0.00 C ATOM 473 CG1 ILE A 36 2.684 2.607 -8.944 1.00 0.00 C ATOM 474 CG2 ILE A 36 4.598 2.653 -10.564 1.00 0.00 C ATOM 475 CD1 ILE A 36 1.238 2.988 -9.175 1.00 0.00 C ATOM 0 H ILE A 36 2.640 5.045 -8.047 1.00 0.00 H new ATOM 0 HA ILE A 36 5.052 3.666 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 36 3.123 4.175 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.832 1.572 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.898 2.656 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.000 2.065 -11.261 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.271 3.304 -11.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.182 1.983 -9.933 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.590 2.315 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.074 4.013 -8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.007 2.911 -10.237 1.00 0.00 H new ATOM 487 N GLY A 37 6.768 5.000 -9.209 1.00 0.00 N ATOM 488 CA GLY A 37 7.797 5.797 -9.841 1.00 0.00 C ATOM 489 C GLY A 37 8.416 6.784 -8.875 1.00 0.00 C ATOM 490 O GLY A 37 9.406 7.441 -9.192 1.00 0.00 O ATOM 0 H GLY A 37 7.115 4.284 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.572 5.141 -10.237 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.371 6.335 -10.688 1.00 0.00 H new ATOM 494 N SER A 38 7.830 6.889 -7.691 1.00 0.00 N ATOM 495 CA SER A 38 8.334 7.787 -6.665 1.00 0.00 C ATOM 496 C SER A 38 8.846 6.988 -5.471 1.00 0.00 C ATOM 497 O SER A 38 8.817 5.753 -5.484 1.00 0.00 O ATOM 498 CB SER A 38 7.230 8.755 -6.237 1.00 0.00 C ATOM 499 OG SER A 38 6.358 9.025 -7.321 1.00 0.00 O ATOM 0 H SER A 38 7.002 6.360 -7.418 1.00 0.00 H new ATOM 0 HA SER A 38 9.165 8.364 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.667 8.329 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.672 9.684 -5.878 1.00 0.00 H new ATOM 0 HG SER A 38 5.868 9.856 -7.147 1.00 0.00 H new ATOM 505 N GLN A 39 9.316 7.685 -4.445 1.00 0.00 N ATOM 506 CA GLN A 39 9.840 7.031 -3.259 1.00 0.00 C ATOM 507 C GLN A 39 8.869 7.174 -2.091 1.00 0.00 C ATOM 508 O GLN A 39 8.226 8.214 -1.928 1.00 0.00 O ATOM 509 CB GLN A 39 11.201 7.622 -2.883 1.00 0.00 C ATOM 510 CG GLN A 39 12.374 6.720 -3.234 1.00 0.00 C ATOM 511 CD GLN A 39 13.101 7.164 -4.488 1.00 0.00 C ATOM 512 OE1 GLN A 39 13.144 8.350 -4.808 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.685 6.216 -5.204 1.00 0.00 N ATOM 0 H GLN A 39 9.344 8.704 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 39 9.963 5.971 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.325 8.579 -3.390 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.217 7.824 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.075 6.702 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.014 5.700 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.627 5.242 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.193 6.459 -6.054 1.00 0.00 H new ATOM 522 N CYS A 40 8.750 6.119 -1.302 1.00 0.00 N ATOM 523 CA CYS A 40 7.926 6.142 -0.101 1.00 0.00 C ATOM 524 C CYS A 40 8.739 6.675 1.065 1.00 0.00 C ATOM 525 O CYS A 40 9.811 6.148 1.364 1.00 0.00 O ATOM 526 CB CYS A 40 7.418 4.736 0.229 1.00 0.00 C ATOM 527 SG CYS A 40 5.601 4.572 0.242 1.00 0.00 S ATOM 0 H CYS A 40 9.217 5.228 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 40 7.069 6.792 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 40 7.828 4.035 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.804 4.444 1.206 1.00 0.00 H new ATOM 532 N GLY A 41 8.237 7.727 1.702 1.00 0.00 N ATOM 533 CA GLY A 41 8.936 8.319 2.828 1.00 0.00 C ATOM 534 C GLY A 41 8.537 7.691 4.145 1.00 0.00 C ATOM 535 O GLY A 41 9.235 7.833 5.150 1.00 0.00 O ATOM 0 H GLY A 41 7.357 8.181 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.011 8.207 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.728 9.389 2.860 1.00 0.00 H new ATOM 539 N ALA A 42 7.411 6.991 4.139 1.00 0.00 N ATOM 540 CA ALA A 42 6.908 6.349 5.340 1.00 0.00 C ATOM 541 C ALA A 42 7.153 4.849 5.284 1.00 0.00 C ATOM 542 O ALA A 42 7.871 4.364 4.408 1.00 0.00 O ATOM 543 CB ALA A 42 5.426 6.647 5.516 1.00 0.00 C ATOM 0 H ALA A 42 6.829 6.855 3.312 1.00 0.00 H new ATOM 0 HA ALA A 42 7.444 6.749 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.062 6.160 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.279 7.724 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.874 6.271 4.654 1.00 0.00 H new ATOM 549 N SER A 43 6.561 4.123 6.221 1.00 0.00 N ATOM 550 CA SER A 43 6.695 2.676 6.275 1.00 0.00 C ATOM 551 C SER A 43 6.044 2.024 5.058 1.00 0.00 C ATOM 552 O SER A 43 4.817 2.021 4.921 1.00 0.00 O ATOM 553 CB SER A 43 6.059 2.156 7.563 1.00 0.00 C ATOM 554 OG SER A 43 5.620 3.236 8.375 1.00 0.00 O ATOM 0 H SER A 43 5.979 4.517 6.960 1.00 0.00 H new ATOM 0 HA SER A 43 7.754 2.418 6.265 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.216 1.508 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.780 1.550 8.112 1.00 0.00 H new ATOM 0 HG SER A 43 4.783 3.596 8.015 1.00 0.00 H new ATOM 560 N VAL A 44 6.874 1.487 4.174 1.00 0.00 N ATOM 561 CA VAL A 44 6.392 0.828 2.967 1.00 0.00 C ATOM 562 C VAL A 44 5.923 -0.582 3.289 1.00 0.00 C ATOM 563 O VAL A 44 6.733 -1.493 3.484 1.00 0.00 O ATOM 564 CB VAL A 44 7.477 0.758 1.870 1.00 0.00 C ATOM 565 CG1 VAL A 44 6.843 0.807 0.488 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.494 1.879 2.034 1.00 0.00 C ATOM 0 H VAL A 44 7.889 1.495 4.271 1.00 0.00 H new ATOM 0 HA VAL A 44 5.562 1.424 2.589 1.00 0.00 H new ATOM 0 HB VAL A 44 8.003 -0.191 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.623 0.757 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.165 -0.038 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.287 1.738 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.246 1.806 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.988 2.842 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.977 1.793 3.008 1.00 0.00 H new ATOM 576 N LYS A 45 4.616 -0.752 3.354 1.00 0.00 N ATOM 577 CA LYS A 45 4.035 -2.032 3.705 1.00 0.00 C ATOM 578 C LYS A 45 3.288 -2.625 2.521 1.00 0.00 C ATOM 579 O LYS A 45 2.767 -1.896 1.674 1.00 0.00 O ATOM 580 CB LYS A 45 3.089 -1.870 4.893 1.00 0.00 C ATOM 581 CG LYS A 45 3.792 -1.543 6.200 1.00 0.00 C ATOM 582 CD LYS A 45 4.242 -2.804 6.919 1.00 0.00 C ATOM 583 CE LYS A 45 5.739 -3.016 6.778 1.00 0.00 C ATOM 584 NZ LYS A 45 6.090 -4.455 6.652 1.00 0.00 N ATOM 0 H LYS A 45 3.935 -0.016 3.167 1.00 0.00 H new ATOM 0 HA LYS A 45 4.841 -2.712 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.373 -1.079 4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.519 -2.790 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.655 -0.908 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.120 -0.975 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.980 -2.736 7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.711 -3.665 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.100 -2.477 5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.248 -2.594 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.943 -4.554 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.271 -4.852 7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.302 -4.967 6.206 1.00 0.00 H new ATOM 598 N CYS A 46 3.257 -3.945 2.458 1.00 0.00 N ATOM 599 CA CYS A 46 2.517 -4.637 1.416 1.00 0.00 C ATOM 600 C CYS A 46 1.096 -4.917 1.887 1.00 0.00 C ATOM 601 O CYS A 46 0.829 -5.919 2.553 1.00 0.00 O ATOM 602 CB CYS A 46 3.221 -5.940 1.034 1.00 0.00 C ATOM 603 SG CYS A 46 4.629 -5.714 -0.102 1.00 0.00 S ATOM 0 H CYS A 46 3.736 -4.560 3.116 1.00 0.00 H new ATOM 0 HA CYS A 46 2.476 -4.000 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.574 -6.430 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.497 -6.610 0.571 1.00 0.00 H new ATOM 608 N CYS A 47 0.191 -4.015 1.554 1.00 0.00 N ATOM 609 CA CYS A 47 -1.194 -4.129 1.976 1.00 0.00 C ATOM 610 C CYS A 47 -2.118 -4.098 0.773 1.00 0.00 C ATOM 611 O CYS A 47 -1.660 -4.088 -0.370 1.00 0.00 O ATOM 612 CB CYS A 47 -1.552 -2.989 2.928 1.00 0.00 C ATOM 613 SG CYS A 47 -0.132 -2.309 3.841 1.00 0.00 S ATOM 0 H CYS A 47 0.392 -3.190 0.989 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.318 -5.080 2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.021 -2.187 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.293 -3.346 3.643 1.00 0.00 H new ATOM 618 N LYS A 48 -3.415 -4.101 1.032 1.00 0.00 N ATOM 619 CA LYS A 48 -4.403 -3.921 -0.012 1.00 0.00 C ATOM 620 C LYS A 48 -5.679 -3.357 0.593 1.00 0.00 C ATOM 621 O LYS A 48 -6.051 -3.707 1.713 1.00 0.00 O ATOM 622 CB LYS A 48 -4.670 -5.246 -0.746 1.00 0.00 C ATOM 623 CG LYS A 48 -5.979 -5.925 -0.377 1.00 0.00 C ATOM 624 CD LYS A 48 -5.738 -7.254 0.319 1.00 0.00 C ATOM 625 CE LYS A 48 -6.966 -8.147 0.254 1.00 0.00 C ATOM 626 NZ LYS A 48 -7.303 -8.545 -1.141 1.00 0.00 N ATOM 0 H LYS A 48 -3.808 -4.227 1.965 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.023 -3.214 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.664 -5.058 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.849 -5.932 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.559 -5.271 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.573 -6.086 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.893 -7.761 -0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.470 -7.077 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.794 -9.041 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.815 -7.626 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.198 -8.096 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.544 -8.238 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.403 -9.579 -1.193 1.00 0.00 H new ATOM 640 N ASP A 49 -6.311 -2.449 -0.123 1.00 0.00 N ATOM 641 CA ASP A 49 -7.580 -1.894 0.311 1.00 0.00 C ATOM 642 C ASP A 49 -8.721 -2.722 -0.264 1.00 0.00 C ATOM 643 O ASP A 49 -9.070 -2.601 -1.440 1.00 0.00 O ATOM 644 CB ASP A 49 -7.697 -0.426 -0.112 1.00 0.00 C ATOM 645 CG ASP A 49 -9.130 0.073 -0.148 1.00 0.00 C ATOM 646 OD1 ASP A 49 -9.883 -0.165 0.818 1.00 0.00 O ATOM 647 OD2 ASP A 49 -9.509 0.713 -1.153 1.00 0.00 O ATOM 0 H ASP A 49 -5.967 -2.079 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.635 -1.930 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.121 0.191 0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.251 -0.302 -1.099 1.00 0.00 H new ATOM 652 N ASP A 50 -9.267 -3.596 0.564 1.00 0.00 N ATOM 653 CA ASP A 50 -10.362 -4.460 0.149 1.00 0.00 C ATOM 654 C ASP A 50 -11.655 -4.033 0.832 1.00 0.00 C ATOM 655 O ASP A 50 -12.575 -4.834 1.008 1.00 0.00 O ATOM 656 CB ASP A 50 -10.043 -5.922 0.486 1.00 0.00 C ATOM 657 CG ASP A 50 -10.324 -6.874 -0.661 1.00 0.00 C ATOM 658 OD1 ASP A 50 -9.458 -7.015 -1.549 1.00 0.00 O ATOM 659 OD2 ASP A 50 -11.405 -7.509 -0.667 1.00 0.00 O ATOM 0 H ASP A 50 -8.970 -3.727 1.531 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.488 -4.370 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.993 -6.003 0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.630 -6.225 1.353 1.00 0.00 H new ATOM 664 N VAL A 51 -11.716 -2.765 1.225 1.00 0.00 N ATOM 665 CA VAL A 51 -12.892 -2.232 1.899 1.00 0.00 C ATOM 666 C VAL A 51 -13.453 -1.019 1.154 1.00 0.00 C ATOM 667 O VAL A 51 -14.668 -0.862 1.036 1.00 0.00 O ATOM 668 CB VAL A 51 -12.586 -1.870 3.380 1.00 0.00 C ATOM 669 CG1 VAL A 51 -11.331 -1.014 3.493 1.00 0.00 C ATOM 670 CG2 VAL A 51 -13.775 -1.173 4.031 1.00 0.00 C ATOM 0 H VAL A 51 -10.965 -2.089 1.088 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.650 -3.016 1.896 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.405 -2.802 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.145 -0.778 4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.480 -1.561 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.469 -0.090 2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.533 -0.931 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.001 -0.256 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -14.642 -1.833 4.006 1.00 0.00 H new ATOM 680 N THR A 52 -12.572 -0.173 0.636 1.00 0.00 N ATOM 681 CA THR A 52 -13.002 1.002 -0.109 1.00 0.00 C ATOM 682 C THR A 52 -13.092 0.695 -1.601 1.00 0.00 C ATOM 683 O THR A 52 -14.180 0.716 -2.176 1.00 0.00 O ATOM 684 CB THR A 52 -12.049 2.189 0.121 1.00 0.00 C ATOM 685 OG1 THR A 52 -11.390 2.045 1.389 1.00 0.00 O ATOM 686 CG2 THR A 52 -12.809 3.506 0.079 1.00 0.00 C ATOM 0 H THR A 52 -11.561 -0.278 0.717 1.00 0.00 H new ATOM 0 HA THR A 52 -13.991 1.276 0.257 1.00 0.00 H new ATOM 0 HB THR A 52 -11.305 2.195 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.689 1.364 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.116 4.331 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.285 3.621 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.571 3.511 0.858 1.00 0.00 H new ATOM 694 N ASN A 53 -11.939 0.433 -2.219 1.00 0.00 N ATOM 695 CA ASN A 53 -11.851 0.011 -3.626 1.00 0.00 C ATOM 696 C ASN A 53 -12.103 1.162 -4.603 1.00 0.00 C ATOM 697 O ASN A 53 -11.696 1.097 -5.764 1.00 0.00 O ATOM 698 CB ASN A 53 -12.826 -1.138 -3.919 1.00 0.00 C ATOM 699 CG ASN A 53 -12.132 -2.375 -4.448 1.00 0.00 C ATOM 700 OD1 ASN A 53 -11.460 -2.337 -5.482 1.00 0.00 O ATOM 701 ND2 ASN A 53 -12.296 -3.485 -3.744 1.00 0.00 N ATOM 0 H ASN A 53 -11.032 0.507 -1.758 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.828 -0.334 -3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.366 -1.392 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.567 -0.804 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.858 -4.353 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.860 -3.471 -2.894 1.00 0.00 H new ATOM 708 N THR A 54 -12.753 2.216 -4.135 1.00 0.00 N ATOM 709 CA THR A 54 -13.169 3.314 -4.997 1.00 0.00 C ATOM 710 C THR A 54 -12.003 4.211 -5.416 1.00 0.00 C ATOM 711 O THR A 54 -12.136 5.019 -6.336 1.00 0.00 O ATOM 712 CB THR A 54 -14.229 4.171 -4.292 1.00 0.00 C ATOM 713 OG1 THR A 54 -14.513 3.619 -2.997 1.00 0.00 O ATOM 714 CG2 THR A 54 -15.502 4.243 -5.116 1.00 0.00 C ATOM 0 H THR A 54 -13.006 2.335 -3.154 1.00 0.00 H new ATOM 0 HA THR A 54 -13.583 2.861 -5.898 1.00 0.00 H new ATOM 0 HB THR A 54 -13.839 5.182 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.189 4.169 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 54 -16.238 4.856 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.282 4.686 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.901 3.239 -5.258 1.00 0.00 H new ATOM 722 N GLY A 55 -10.869 4.074 -4.745 1.00 0.00 N ATOM 723 CA GLY A 55 -9.730 4.923 -5.040 1.00 0.00 C ATOM 724 C GLY A 55 -9.796 6.208 -4.248 1.00 0.00 C ATOM 725 O GLY A 55 -9.920 7.294 -4.812 1.00 0.00 O ATOM 0 H GLY A 55 -10.716 3.392 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.806 4.394 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.706 5.149 -6.106 1.00 0.00 H new ATOM 729 N ASN A 56 -9.731 6.076 -2.936 1.00 0.00 N ATOM 730 CA ASN A 56 -9.889 7.212 -2.038 1.00 0.00 C ATOM 731 C ASN A 56 -8.531 7.807 -1.663 1.00 0.00 C ATOM 732 O ASN A 56 -7.570 7.075 -1.418 1.00 0.00 O ATOM 733 CB ASN A 56 -10.658 6.766 -0.784 1.00 0.00 C ATOM 734 CG ASN A 56 -10.285 7.545 0.465 1.00 0.00 C ATOM 735 OD1 ASN A 56 -10.664 8.703 0.625 1.00 0.00 O ATOM 736 ND2 ASN A 56 -9.550 6.906 1.364 1.00 0.00 N ATOM 0 H ASN A 56 -9.569 5.187 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.457 7.991 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.727 6.876 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.471 5.706 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.278 7.376 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.256 5.944 1.192 1.00 0.00 H new ATOM 743 N SER A 57 -8.458 9.133 -1.628 1.00 0.00 N ATOM 744 CA SER A 57 -7.238 9.825 -1.233 1.00 0.00 C ATOM 745 C SER A 57 -7.097 9.814 0.286 1.00 0.00 C ATOM 746 O SER A 57 -7.973 10.298 1.009 1.00 0.00 O ATOM 747 CB SER A 57 -7.257 11.263 -1.759 1.00 0.00 C ATOM 748 OG SER A 57 -8.312 11.447 -2.690 1.00 0.00 O ATOM 0 H SER A 57 -9.232 9.751 -1.869 1.00 0.00 H new ATOM 0 HA SER A 57 -6.381 9.308 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.375 11.957 -0.927 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.303 11.494 -2.234 1.00 0.00 H new ATOM 0 HG SER A 57 -8.307 12.373 -3.012 1.00 0.00 H new ATOM 754 N GLY A 58 -5.991 9.263 0.763 1.00 0.00 N ATOM 755 CA GLY A 58 -5.824 9.056 2.186 1.00 0.00 C ATOM 756 C GLY A 58 -6.505 7.779 2.628 1.00 0.00 C ATOM 757 O GLY A 58 -7.584 7.813 3.221 1.00 0.00 O ATOM 0 H GLY A 58 -5.206 8.955 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.762 9.010 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.240 9.903 2.732 1.00 0.00 H new ATOM 761 N LEU A 59 -5.887 6.651 2.313 1.00 0.00 N ATOM 762 CA LEU A 59 -6.492 5.356 2.570 1.00 0.00 C ATOM 763 C LEU A 59 -6.130 4.848 3.957 1.00 0.00 C ATOM 764 O LEU A 59 -4.987 4.961 4.398 1.00 0.00 O ATOM 765 CB LEU A 59 -6.061 4.346 1.507 1.00 0.00 C ATOM 766 CG LEU A 59 -7.098 4.078 0.416 1.00 0.00 C ATOM 767 CD1 LEU A 59 -6.530 3.154 -0.646 1.00 0.00 C ATOM 768 CD2 LEU A 59 -8.359 3.482 1.019 1.00 0.00 C ATOM 0 H LEU A 59 -4.965 6.608 1.878 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.574 5.475 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.145 4.704 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.820 3.403 1.999 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.354 5.027 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.283 2.975 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.653 3.616 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.246 2.206 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.087 3.297 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.116 2.543 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.779 4.178 1.745 1.00 0.00 H new ATOM 780 N ILE A 60 -7.116 4.291 4.637 1.00 0.00 N ATOM 781 CA ILE A 60 -6.918 3.743 5.963 1.00 0.00 C ATOM 782 C ILE A 60 -7.162 2.240 5.949 1.00 0.00 C ATOM 783 O ILE A 60 -8.270 1.784 5.673 1.00 0.00 O ATOM 784 CB ILE A 60 -7.857 4.414 6.993 1.00 0.00 C ATOM 785 CG1 ILE A 60 -7.415 5.854 7.257 1.00 0.00 C ATOM 786 CG2 ILE A 60 -7.891 3.622 8.295 1.00 0.00 C ATOM 787 CD1 ILE A 60 -8.339 6.891 6.653 1.00 0.00 C ATOM 0 H ILE A 60 -8.070 4.207 4.287 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.888 3.942 6.258 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.864 4.428 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.355 6.016 8.333 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.411 5.997 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.558 4.114 9.003 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.252 2.613 8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.887 3.572 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.964 7.889 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.380 6.756 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.339 6.775 7.072 1.00 0.00 H new ATOM 799 N ILE A 61 -6.117 1.478 6.222 1.00 0.00 N ATOM 800 CA ILE A 61 -6.236 0.036 6.326 1.00 0.00 C ATOM 801 C ILE A 61 -6.190 -0.350 7.797 1.00 0.00 C ATOM 802 O ILE A 61 -5.207 -0.082 8.487 1.00 0.00 O ATOM 803 CB ILE A 61 -5.120 -0.687 5.526 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.492 -0.751 4.041 1.00 0.00 C ATOM 805 CG2 ILE A 61 -4.869 -2.091 6.062 1.00 0.00 C ATOM 806 CD1 ILE A 61 -4.804 0.297 3.195 1.00 0.00 C ATOM 0 H ILE A 61 -5.174 1.836 6.376 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.186 -0.277 5.892 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.201 -0.113 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.241 -1.739 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.571 -0.635 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.082 -2.568 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.562 -2.032 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.784 -2.679 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.117 0.189 2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.075 1.290 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.724 0.169 3.264 1.00 0.00 H new ATOM 818 N ASN A 62 -7.265 -0.956 8.283 1.00 0.00 N ATOM 819 CA ASN A 62 -7.393 -1.254 9.705 1.00 0.00 C ATOM 820 C ASN A 62 -6.585 -2.486 10.098 1.00 0.00 C ATOM 821 O ASN A 62 -7.148 -3.497 10.520 1.00 0.00 O ATOM 822 CB ASN A 62 -8.864 -1.444 10.085 1.00 0.00 C ATOM 823 CG ASN A 62 -9.251 -0.623 11.302 1.00 0.00 C ATOM 824 OD1 ASN A 62 -8.616 0.389 11.614 1.00 0.00 O ATOM 825 ND2 ASN A 62 -10.301 -1.042 11.990 1.00 0.00 N ATOM 0 H ASN A 62 -8.060 -1.251 7.716 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.991 -0.402 10.254 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.495 -1.161 9.242 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.053 -2.499 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.613 -0.523 12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.799 -1.883 11.699 1.00 0.00 H new ATOM 832 N ALA A 63 -5.268 -2.385 9.918 1.00 0.00 N ATOM 833 CA ALA A 63 -4.300 -3.390 10.369 1.00 0.00 C ATOM 834 C ALA A 63 -4.411 -4.721 9.615 1.00 0.00 C ATOM 835 O ALA A 63 -3.531 -5.068 8.826 1.00 0.00 O ATOM 836 CB ALA A 63 -4.418 -3.620 11.870 1.00 0.00 C ATOM 0 H ALA A 63 -4.835 -1.590 9.447 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.314 -2.984 10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.690 -4.369 12.182 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.225 -2.686 12.397 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.423 -3.970 12.107 1.00 0.00 H new ATOM 842 N ALA A 64 -5.496 -5.453 9.852 1.00 0.00 N ATOM 843 CA ALA A 64 -5.650 -6.823 9.356 1.00 0.00 C ATOM 844 C ALA A 64 -5.987 -6.880 7.863 1.00 0.00 C ATOM 845 O ALA A 64 -6.981 -7.490 7.461 1.00 0.00 O ATOM 846 CB ALA A 64 -6.713 -7.547 10.167 1.00 0.00 C ATOM 0 H ALA A 64 -6.293 -5.117 10.392 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.688 -7.321 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.824 -8.565 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.415 -7.574 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.663 -7.021 10.074 1.00 0.00 H new ATOM 852 N ASN A 65 -5.150 -6.247 7.054 1.00 0.00 N ATOM 853 CA ASN A 65 -5.264 -6.299 5.596 1.00 0.00 C ATOM 854 C ASN A 65 -3.912 -5.955 4.988 1.00 0.00 C ATOM 855 O ASN A 65 -3.819 -5.418 3.882 1.00 0.00 O ATOM 856 CB ASN A 65 -6.333 -5.324 5.084 1.00 0.00 C ATOM 857 CG ASN A 65 -7.463 -6.025 4.349 1.00 0.00 C ATOM 858 OD1 ASN A 65 -7.797 -5.678 3.217 1.00 0.00 O ATOM 859 ND2 ASN A 65 -8.065 -7.013 4.989 1.00 0.00 N ATOM 0 H ASN A 65 -4.370 -5.681 7.387 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.566 -7.304 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.744 -4.767 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.867 -4.598 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.834 -7.515 4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.761 -7.273 5.927 1.00 0.00 H new ATOM 866 N CYS A 66 -2.862 -6.263 5.739 1.00 0.00 N ATOM 867 CA CYS A 66 -1.507 -5.901 5.363 1.00 0.00 C ATOM 868 C CYS A 66 -0.508 -6.769 6.116 1.00 0.00 C ATOM 869 O CYS A 66 -0.771 -7.178 7.246 1.00 0.00 O ATOM 870 CB CYS A 66 -1.263 -4.427 5.690 1.00 0.00 C ATOM 871 SG CYS A 66 0.352 -3.789 5.142 1.00 0.00 S ATOM 0 H CYS A 66 -2.928 -6.769 6.622 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.377 -6.061 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.050 -3.831 5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.347 -4.288 6.768 1.00 0.00 H new ATOM 876 N VAL A 67 0.627 -7.059 5.492 1.00 0.00 N ATOM 877 CA VAL A 67 1.683 -7.804 6.163 1.00 0.00 C ATOM 878 C VAL A 67 2.633 -6.844 6.870 1.00 0.00 C ATOM 879 O VAL A 67 3.450 -6.170 6.235 1.00 0.00 O ATOM 880 CB VAL A 67 2.488 -8.711 5.203 1.00 0.00 C ATOM 881 CG1 VAL A 67 1.853 -10.089 5.118 1.00 0.00 C ATOM 882 CG2 VAL A 67 2.609 -8.088 3.822 1.00 0.00 C ATOM 0 H VAL A 67 0.838 -6.792 4.531 1.00 0.00 H new ATOM 0 HA VAL A 67 1.192 -8.455 6.887 1.00 0.00 H new ATOM 0 HB VAL A 67 3.495 -8.816 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.431 -10.715 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.839 -10.545 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.832 -9.997 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.180 -8.751 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.614 -7.937 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.119 -7.128 3.899 1.00 0.00 H new ATOM 892 N ALA A 68 2.508 -6.772 8.182 1.00 0.00 N ATOM 893 CA ALA A 68 3.319 -5.868 8.977 1.00 0.00 C ATOM 894 C ALA A 68 4.704 -6.454 9.191 1.00 0.00 C ATOM 895 O ALA A 68 5.696 -5.726 8.986 1.00 0.00 O ATOM 896 CB ALA A 68 2.644 -5.582 10.309 1.00 0.00 C ATOM 897 OXT ALA A 68 4.798 -7.649 9.541 1.00 0.00 O ATOM 0 H ALA A 68 1.849 -7.332 8.723 1.00 0.00 H new ATOM 0 HA ALA A 68 3.423 -4.926 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.265 -4.903 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.671 -5.123 10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.512 -6.515 10.857 1.00 0.00 H new TER 903 ALA A 68