USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 465 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 NoAdj-H: A 1 LYS H1 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: A 1 LYS H2 : A 1 LYS N : C 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H1 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: B 1 LYS H2 : B 1 LYS N : A 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H1 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD NoAdj-H: C 1 LYS H2 : C 1 LYS N : B 20 SER C :(NH2R) USER MOD Set 1.1: B 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 1 LYS N :NH3+ -164:sc= -0.0369 (180deg=-0.255) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 1 LYS N :NH3+ -164:sc= -0.0304 (180deg=-0.216) USER MOD Set 3.1: A 1 LYS N :NH3+ -164:sc=-0.00454 (180deg=-0.201) USER MOD Set 3.2: C 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ -131:sc= -0.0617 (180deg=-0.475) USER MOD Single : A 2 ASN : amide:sc= -2.19 K(o=-2.2,f=-7.2!) USER MOD Single : A 9 THR OG1 : rot 71:sc= 0.139 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= 0.0557 (180deg=-0.243) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.0521 (180deg=-0.459) USER MOD Single : A 18 SER OG : rot -106:sc= 1.25 USER MOD Single : A 19 SER OG : rot -78:sc= 0.194 USER MOD Single : B 1 LYS NZ :NH3+ -159:sc= -0.066 (180deg=-0.56) USER MOD Single : B 2 ASN : amide:sc= -1.61 K(o=-1.6,f=-6.9!) USER MOD Single : B 9 THR OG1 : rot 68:sc= 0.146 USER MOD Single : B 11 CYS SG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -163:sc= 0.0568 (180deg=-0.267) USER MOD Single : B 13 LYS NZ :NH3+ -162:sc= -0.0523 (180deg=-0.377) USER MOD Single : B 18 SER OG : rot -95:sc= 1.17 USER MOD Single : B 19 SER OG : rot -79:sc= 0.23 USER MOD Single : C 1 LYS NZ :NH3+ -159:sc= -0.0512 (180deg=-0.526) USER MOD Single : C 2 ASN : amide:sc= -1.77 K(o=-1.8,f=-7.3!) USER MOD Single : C 9 THR OG1 : rot 71:sc= 0.149 USER MOD Single : C 11 CYS SG : rot 180:sc= 0 USER MOD Single : C 12 LYS NZ :NH3+ -164:sc= 0.0701 (180deg=-0.223) USER MOD Single : C 13 LYS NZ :NH3+ -163:sc= -0.0289 (180deg=-0.372) USER MOD Single : C 18 SER OG : rot -90:sc= 1.22 USER MOD Single : C 19 SER OG : rot -79:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.880 5.090 15.863 1.00 0.00 N ATOM 2 CA LYS A 1 -9.005 5.941 15.494 1.00 0.00 C ATOM 3 C LYS A 1 -8.514 7.192 14.782 1.00 0.00 C ATOM 4 O LYS A 1 -9.270 8.142 14.574 1.00 0.00 O ATOM 5 CB LYS A 1 -9.808 6.335 16.737 1.00 0.00 C ATOM 6 CG LYS A 1 -10.572 5.118 17.260 1.00 0.00 C ATOM 7 CD LYS A 1 -11.363 5.513 18.508 1.00 0.00 C ATOM 8 CE LYS A 1 -12.137 4.299 19.027 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.162 3.902 18.019 1.00 0.00 N ATOM 0 H3 LYS A 1 -8.227 4.137 16.095 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.650 5.379 14.819 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.139 6.717 17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -10.504 7.137 16.493 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.247 4.741 16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.877 4.312 17.496 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.686 5.883 19.278 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.052 6.324 18.273 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.454 3.470 19.214 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.617 4.537 19.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.082 3.780 18.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.240 4.643 17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.880 3.007 17.571 1.00 0.00 H new ATOM 23 N ASN A 2 -7.238 7.190 14.427 1.00 0.00 N ATOM 24 CA ASN A 2 -6.648 8.338 13.758 1.00 0.00 C ATOM 25 C ASN A 2 -7.339 8.600 12.415 1.00 0.00 C ATOM 26 O ASN A 2 -7.812 7.672 11.760 1.00 0.00 O ATOM 27 CB ASN A 2 -5.149 8.098 13.528 1.00 0.00 C ATOM 28 CG ASN A 2 -4.945 6.848 12.689 1.00 0.00 C ATOM 29 OD1 ASN A 2 -5.845 6.017 12.586 1.00 0.00 O ATOM 30 ND2 ASN A 2 -3.808 6.666 12.076 1.00 0.00 N ATOM 0 H ASN A 2 -6.597 6.414 14.589 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.783 9.212 14.396 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.707 8.959 13.026 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.639 7.991 14.485 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -3.663 5.831 11.508 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.064 7.358 12.165 1.00 0.00 H new ATOM 37 N PRO A 3 -7.401 9.841 11.991 1.00 0.00 N ATOM 38 CA PRO A 3 -8.045 10.219 10.693 1.00 0.00 C ATOM 39 C PRO A 3 -7.293 9.650 9.490 1.00 0.00 C ATOM 40 O PRO A 3 -7.841 9.545 8.392 1.00 0.00 O ATOM 41 CB PRO A 3 -8.011 11.763 10.707 1.00 0.00 C ATOM 42 CG PRO A 3 -6.897 12.119 11.639 1.00 0.00 C ATOM 43 CD PRO A 3 -6.876 11.026 12.699 1.00 0.00 C ATOM 0 HA PRO A 3 -9.054 9.818 10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.833 12.163 9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.960 12.175 11.051 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.945 12.168 11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.062 13.098 12.090 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.868 10.853 13.076 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.496 11.288 13.556 1.00 0.00 H new ATOM 51 N GLU A 4 -6.038 9.284 9.707 1.00 0.00 N ATOM 52 CA GLU A 4 -5.216 8.732 8.638 1.00 0.00 C ATOM 53 C GLU A 4 -5.785 7.402 8.159 1.00 0.00 C ATOM 54 O GLU A 4 -5.396 6.892 7.109 1.00 0.00 O ATOM 55 CB GLU A 4 -3.779 8.536 9.125 1.00 0.00 C ATOM 56 CG GLU A 4 -3.174 9.892 9.497 1.00 0.00 C ATOM 57 CD GLU A 4 -3.033 10.763 8.251 1.00 0.00 C ATOM 58 OE1 GLU A 4 -3.038 10.213 7.163 1.00 0.00 O ATOM 59 OE2 GLU A 4 -2.922 11.969 8.405 1.00 0.00 O ATOM 0 H GLU A 4 -5.568 9.358 10.609 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.218 9.435 7.805 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.764 7.871 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.182 8.061 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.807 10.392 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.199 9.749 9.962 1.00 0.00 H new ATOM 66 N ALA A 5 -6.706 6.848 8.940 1.00 0.00 N ATOM 67 CA ALA A 5 -7.331 5.577 8.600 1.00 0.00 C ATOM 68 C ALA A 5 -8.027 5.672 7.245 1.00 0.00 C ATOM 69 O ALA A 5 -8.204 4.669 6.554 1.00 0.00 O ATOM 70 CB ALA A 5 -8.347 5.183 9.675 1.00 0.00 C ATOM 0 H ALA A 5 -7.036 7.260 9.813 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.554 4.815 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.807 4.231 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.841 5.086 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.117 5.951 9.747 1.00 0.00 H new ATOM 76 N GLU A 6 -8.427 6.882 6.873 1.00 0.00 N ATOM 77 CA GLU A 6 -9.107 7.089 5.600 1.00 0.00 C ATOM 78 C GLU A 6 -8.208 6.667 4.441 1.00 0.00 C ATOM 79 O GLU A 6 -8.676 6.089 3.459 1.00 0.00 O ATOM 80 CB GLU A 6 -9.479 8.567 5.445 1.00 0.00 C ATOM 81 CG GLU A 6 -10.584 8.924 6.440 1.00 0.00 C ATOM 82 CD GLU A 6 -10.907 10.413 6.352 1.00 0.00 C ATOM 83 OE1 GLU A 6 -10.250 11.097 5.585 1.00 0.00 O ATOM 84 OE2 GLU A 6 -11.807 10.846 7.053 1.00 0.00 O ATOM 0 H GLU A 6 -8.294 7.727 7.428 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.011 6.481 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.604 9.193 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.815 8.763 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.478 8.337 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.268 8.671 7.452 1.00 0.00 H new ATOM 91 N GLU A 7 -6.916 6.954 4.556 1.00 0.00 N ATOM 92 CA GLU A 7 -5.972 6.590 3.506 1.00 0.00 C ATOM 93 C GLU A 7 -5.911 5.071 3.349 1.00 0.00 C ATOM 94 O GLU A 7 -5.859 4.549 2.237 1.00 0.00 O ATOM 95 CB GLU A 7 -4.579 7.128 3.847 1.00 0.00 C ATOM 96 CG GLU A 7 -3.629 6.892 2.668 1.00 0.00 C ATOM 97 CD GLU A 7 -4.065 7.738 1.474 1.00 0.00 C ATOM 98 OE1 GLU A 7 -4.824 7.238 0.657 1.00 0.00 O ATOM 99 OE2 GLU A 7 -3.637 8.878 1.396 1.00 0.00 O ATOM 0 H GLU A 7 -6.502 7.432 5.356 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.309 7.029 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.636 8.193 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.196 6.633 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.609 7.149 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.628 5.836 2.396 1.00 0.00 H new ATOM 106 N ILE A 8 -5.926 4.367 4.473 1.00 0.00 N ATOM 107 CA ILE A 8 -5.880 2.909 4.459 1.00 0.00 C ATOM 108 C ILE A 8 -7.117 2.353 3.754 1.00 0.00 C ATOM 109 O ILE A 8 -7.032 1.376 3.008 1.00 0.00 O ATOM 110 CB ILE A 8 -5.799 2.362 5.894 1.00 0.00 C ATOM 111 CG1 ILE A 8 -4.367 2.519 6.420 1.00 0.00 C ATOM 112 CG2 ILE A 8 -6.190 0.874 5.910 1.00 0.00 C ATOM 113 CD1 ILE A 8 -3.977 4.000 6.430 1.00 0.00 C ATOM 0 H ILE A 8 -5.970 4.780 5.405 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.990 2.593 3.915 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.486 2.920 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.292 2.107 7.426 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.676 1.956 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.130 0.493 6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.209 0.762 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.508 0.312 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.959 4.106 6.805 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.034 4.398 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.660 4.552 7.076 1.00 0.00 H new ATOM 125 N THR A 9 -8.264 2.968 4.014 1.00 0.00 N ATOM 126 CA THR A 9 -9.507 2.506 3.418 1.00 0.00 C ATOM 127 C THR A 9 -9.403 2.556 1.898 1.00 0.00 C ATOM 128 O THR A 9 -9.808 1.621 1.207 1.00 0.00 O ATOM 129 CB THR A 9 -10.665 3.396 3.888 1.00 0.00 C ATOM 130 OG1 THR A 9 -10.785 3.308 5.301 1.00 0.00 O ATOM 131 CG2 THR A 9 -11.967 2.934 3.233 1.00 0.00 C ATOM 0 H THR A 9 -8.358 3.778 4.626 1.00 0.00 H new ATOM 0 HA THR A 9 -9.693 1.478 3.728 1.00 0.00 H new ATOM 0 HB THR A 9 -10.467 4.429 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.025 3.761 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.788 3.568 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.874 3.004 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.169 1.900 3.514 1.00 0.00 H new ATOM 139 N ARG A 10 -8.835 3.639 1.383 1.00 0.00 N ATOM 140 CA ARG A 10 -8.656 3.778 -0.057 1.00 0.00 C ATOM 141 C ARG A 10 -7.685 2.719 -0.568 1.00 0.00 C ATOM 142 O ARG A 10 -7.858 2.179 -1.658 1.00 0.00 O ATOM 143 CB ARG A 10 -8.138 5.172 -0.404 1.00 0.00 C ATOM 144 CG ARG A 10 -9.240 6.205 -0.163 1.00 0.00 C ATOM 145 CD ARG A 10 -8.820 7.539 -0.770 1.00 0.00 C ATOM 146 NE ARG A 10 -7.611 8.036 -0.123 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.675 8.765 0.988 1.00 0.00 C ATOM 148 NH1 ARG A 10 -6.580 9.202 1.544 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.834 9.042 1.522 1.00 0.00 N ATOM 0 H ARG A 10 -8.493 4.427 1.934 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.623 3.638 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.265 5.408 0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.818 5.203 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.175 5.867 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.420 6.319 0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.645 7.420 -1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.625 8.266 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.701 7.821 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.675 8.985 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.628 9.761 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.691 8.699 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.883 9.601 2.374 1.00 0.00 H new ATOM 163 N CYS A 11 -6.658 2.434 0.228 1.00 0.00 N ATOM 164 CA CYS A 11 -5.662 1.440 -0.157 1.00 0.00 C ATOM 165 C CYS A 11 -6.349 0.129 -0.518 1.00 0.00 C ATOM 166 O CYS A 11 -6.061 -0.467 -1.556 1.00 0.00 O ATOM 167 CB CYS A 11 -4.685 1.218 1.000 1.00 0.00 C ATOM 168 SG CYS A 11 -3.225 0.336 0.394 1.00 0.00 S ATOM 0 H CYS A 11 -6.495 2.872 1.134 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.112 1.800 -1.026 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.392 2.175 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.167 0.645 1.792 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.393 0.148 1.375 1.00 0.00 H new ATOM 173 N LYS A 12 -7.270 -0.304 0.332 1.00 0.00 N ATOM 174 CA LYS A 12 -8.007 -1.538 0.078 1.00 0.00 C ATOM 175 C LYS A 12 -8.835 -1.411 -1.200 1.00 0.00 C ATOM 176 O LYS A 12 -8.877 -2.328 -2.021 1.00 0.00 O ATOM 177 CB LYS A 12 -8.928 -1.853 1.260 1.00 0.00 C ATOM 178 CG LYS A 12 -9.629 -3.192 1.020 1.00 0.00 C ATOM 179 CD LYS A 12 -10.477 -3.550 2.242 1.00 0.00 C ATOM 180 CE LYS A 12 -11.153 -4.905 2.017 1.00 0.00 C ATOM 181 NZ LYS A 12 -12.142 -4.789 0.908 1.00 0.00 N ATOM 0 H LYS A 12 -7.524 0.174 1.196 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.290 -2.350 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.351 -1.893 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.667 -1.060 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.259 -3.131 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.891 -3.973 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.851 -3.588 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.230 -2.780 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.406 -5.660 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.651 -5.231 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.795 -5.598 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.680 -3.905 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.642 -4.783 -0.004 1.00 0.00 H new ATOM 195 N LYS A 13 -9.491 -0.266 -1.358 1.00 0.00 N ATOM 196 CA LYS A 13 -10.321 -0.023 -2.533 1.00 0.00 C ATOM 197 C LYS A 13 -9.465 -0.039 -3.797 1.00 0.00 C ATOM 198 O LYS A 13 -9.879 -0.559 -4.832 1.00 0.00 O ATOM 199 CB LYS A 13 -11.039 1.322 -2.408 1.00 0.00 C ATOM 200 CG LYS A 13 -12.006 1.495 -3.582 1.00 0.00 C ATOM 201 CD LYS A 13 -12.775 2.806 -3.418 1.00 0.00 C ATOM 202 CE LYS A 13 -13.788 2.951 -4.555 1.00 0.00 C ATOM 203 NZ LYS A 13 -13.069 3.012 -5.858 1.00 0.00 N ATOM 0 H LYS A 13 -9.465 0.505 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.066 -0.816 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.583 1.370 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.313 2.135 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.456 1.499 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.700 0.656 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.288 2.821 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.083 3.648 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.480 2.109 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.383 3.853 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.694 3.424 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.219 3.603 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.792 2.052 -6.147 1.00 0.00 H new ATOM 217 N LEU A 14 -8.271 0.534 -3.705 1.00 0.00 N ATOM 218 CA LEU A 14 -7.368 0.579 -4.849 1.00 0.00 C ATOM 219 C LEU A 14 -6.989 -0.826 -5.288 1.00 0.00 C ATOM 220 O LEU A 14 -6.954 -1.125 -6.481 1.00 0.00 O ATOM 221 CB LEU A 14 -6.105 1.357 -4.461 1.00 0.00 C ATOM 222 CG LEU A 14 -6.419 2.864 -4.368 1.00 0.00 C ATOM 223 CD1 LEU A 14 -5.329 3.578 -3.551 1.00 0.00 C ATOM 224 CD2 LEU A 14 -6.455 3.480 -5.779 1.00 0.00 C ATOM 0 H LEU A 14 -7.907 0.971 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.871 1.075 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.726 0.997 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.322 1.186 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.387 2.987 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.558 4.642 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.293 3.157 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.363 3.442 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.677 4.545 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.487 3.344 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.227 2.988 -6.371 1.00 0.00 H new ATOM 236 N LEU A 15 -6.710 -1.687 -4.320 1.00 0.00 N ATOM 237 CA LEU A 15 -6.340 -3.062 -4.624 1.00 0.00 C ATOM 238 C LEU A 15 -7.515 -3.803 -5.259 1.00 0.00 C ATOM 239 O LEU A 15 -7.345 -4.581 -6.192 1.00 0.00 O ATOM 240 CB LEU A 15 -5.911 -3.775 -3.345 1.00 0.00 C ATOM 241 CG LEU A 15 -4.603 -3.158 -2.829 1.00 0.00 C ATOM 242 CD1 LEU A 15 -4.284 -3.730 -1.446 1.00 0.00 C ATOM 243 CD2 LEU A 15 -3.436 -3.454 -3.800 1.00 0.00 C ATOM 0 H LEU A 15 -6.732 -1.461 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.510 -3.053 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.690 -3.687 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.772 -4.839 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.727 -2.077 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.356 -3.294 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.095 -3.492 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.173 -4.812 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.520 -3.007 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.304 -4.532 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.661 -3.031 -4.779 1.00 0.00 H new ATOM 255 N ASP A 16 -8.708 -3.557 -4.738 1.00 0.00 N ATOM 256 CA ASP A 16 -9.910 -4.206 -5.252 1.00 0.00 C ATOM 257 C ASP A 16 -10.163 -3.811 -6.704 1.00 0.00 C ATOM 258 O ASP A 16 -10.594 -4.629 -7.519 1.00 0.00 O ATOM 259 CB ASP A 16 -11.116 -3.823 -4.396 1.00 0.00 C ATOM 260 CG ASP A 16 -11.023 -4.497 -3.030 1.00 0.00 C ATOM 261 OD1 ASP A 16 -10.231 -5.417 -2.898 1.00 0.00 O ATOM 262 OD2 ASP A 16 -11.738 -4.079 -2.136 1.00 0.00 O ATOM 0 H ASP A 16 -8.872 -2.915 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.761 -5.285 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -11.157 -2.741 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.037 -4.122 -4.896 1.00 0.00 H new ATOM 267 N ASP A 17 -9.896 -2.552 -7.017 1.00 0.00 N ATOM 268 CA ASP A 17 -10.099 -2.041 -8.367 1.00 0.00 C ATOM 269 C ASP A 17 -9.144 -2.718 -9.343 1.00 0.00 C ATOM 270 O ASP A 17 -9.268 -2.561 -10.557 1.00 0.00 O ATOM 271 CB ASP A 17 -9.880 -0.528 -8.400 1.00 0.00 C ATOM 272 CG ASP A 17 -11.022 0.179 -7.676 1.00 0.00 C ATOM 273 OD1 ASP A 17 -12.030 -0.464 -7.432 1.00 0.00 O ATOM 274 OD2 ASP A 17 -10.869 1.350 -7.373 1.00 0.00 O ATOM 0 H ASP A 17 -9.538 -1.864 -6.355 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.124 -2.261 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.930 -0.279 -7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.823 -0.183 -9.432 1.00 0.00 H new ATOM 279 N SER A 18 -8.182 -3.458 -8.807 1.00 0.00 N ATOM 280 CA SER A 18 -7.201 -4.139 -9.641 1.00 0.00 C ATOM 281 C SER A 18 -7.878 -5.116 -10.587 1.00 0.00 C ATOM 282 O SER A 18 -7.307 -5.512 -11.602 1.00 0.00 O ATOM 283 CB SER A 18 -6.206 -4.891 -8.763 1.00 0.00 C ATOM 284 OG SER A 18 -6.838 -6.040 -8.212 1.00 0.00 O ATOM 0 H SER A 18 -8.060 -3.601 -7.804 1.00 0.00 H new ATOM 0 HA SER A 18 -6.677 -3.388 -10.231 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.337 -5.187 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.846 -4.242 -7.965 1.00 0.00 H new ATOM 0 HG SER A 18 -7.024 -5.887 -7.262 1.00 0.00 H new ATOM 290 N SER A 19 -9.091 -5.502 -10.243 1.00 0.00 N ATOM 291 CA SER A 19 -9.845 -6.445 -11.072 1.00 0.00 C ATOM 292 C SER A 19 -10.477 -5.740 -12.263 1.00 0.00 C ATOM 293 O SER A 19 -10.919 -6.377 -13.218 1.00 0.00 O ATOM 294 CB SER A 19 -10.941 -7.113 -10.241 1.00 0.00 C ATOM 295 OG SER A 19 -11.928 -6.146 -9.904 1.00 0.00 O ATOM 0 H SER A 19 -9.579 -5.186 -9.405 1.00 0.00 H new ATOM 0 HA SER A 19 -9.150 -7.200 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.393 -7.930 -10.803 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.515 -7.546 -9.336 1.00 0.00 H new ATOM 0 HG SER A 19 -11.604 -5.593 -9.162 1.00 0.00 H new ATOM 301 N SER A 20 -10.500 -4.422 -12.203 1.00 0.00 N ATOM 302 CA SER A 20 -11.065 -3.615 -13.284 1.00 0.00 C ATOM 303 C SER A 20 -10.056 -3.444 -14.417 1.00 0.00 C ATOM 304 O SER A 20 -8.846 -3.431 -14.190 1.00 0.00 O ATOM 305 CB SER A 20 -11.483 -2.242 -12.761 1.00 0.00 C ATOM 306 OG SER A 20 -12.172 -1.540 -13.790 1.00 0.00 O ATOM 0 H SER A 20 -10.135 -3.881 -11.419 1.00 0.00 H new ATOM 0 HA SER A 20 -11.942 -4.135 -13.669 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.125 -2.352 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.606 -1.678 -12.444 1.00 0.00 H new ATOM 0 HG SER A 20 -12.444 -0.659 -13.459 1.00 0.00 H new ATOM 313 N LYS B 1 -10.563 -3.297 -15.636 1.00 0.00 N ATOM 314 CA LYS B 1 -9.701 -3.110 -16.797 1.00 0.00 C ATOM 315 C LYS B 1 -9.189 -1.681 -16.859 1.00 0.00 C ATOM 316 O LYS B 1 -8.619 -1.256 -17.864 1.00 0.00 O ATOM 317 CB LYS B 1 -10.459 -3.446 -18.084 1.00 0.00 C ATOM 318 CG LYS B 1 -10.668 -4.958 -18.176 1.00 0.00 C ATOM 319 CD LYS B 1 -11.440 -5.289 -19.454 1.00 0.00 C ATOM 320 CE LYS B 1 -11.639 -6.802 -19.553 1.00 0.00 C ATOM 321 NZ LYS B 1 -10.309 -7.468 -19.665 1.00 0.00 N ATOM 0 H3 LYS B 1 -10.683 -4.314 -15.453 1.00 0.00 H new ATOM 0 HA LYS B 1 -8.850 -3.784 -16.700 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -11.421 -2.934 -18.095 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -9.900 -3.093 -18.950 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -9.705 -5.470 -18.177 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.217 -5.314 -17.304 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -12.406 -4.784 -19.449 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -10.895 -4.926 -20.325 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -12.169 -7.169 -18.674 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.254 -7.044 -20.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -10.428 -8.414 -20.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -9.686 -6.899 -20.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -9.884 -7.556 -18.720 1.00 0.00 H new ATOM 335 N ASN B 2 -9.405 -0.942 -15.782 1.00 0.00 N ATOM 336 CA ASN B 2 -8.976 0.448 -15.732 1.00 0.00 C ATOM 337 C ASN B 2 -7.451 0.552 -15.857 1.00 0.00 C ATOM 338 O ASN B 2 -6.724 -0.346 -15.433 1.00 0.00 O ATOM 339 CB ASN B 2 -9.430 1.088 -14.412 1.00 0.00 C ATOM 340 CG ASN B 2 -8.856 0.319 -13.236 1.00 0.00 C ATOM 341 OD1 ASN B 2 -8.429 -0.824 -13.390 1.00 0.00 O ATOM 342 ND2 ASN B 2 -8.814 0.883 -12.061 1.00 0.00 N ATOM 0 H ASN B 2 -9.870 -1.277 -14.938 1.00 0.00 H new ATOM 0 HA ASN B 2 -9.431 0.977 -16.569 1.00 0.00 H new ATOM 0 HB2 ASN B 2 -9.104 2.127 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN B 2 -10.519 1.093 -14.357 1.00 0.00 H new ATOM 0 HD21 ASN B 2 -8.426 0.376 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN B 2 -9.169 1.831 -11.937 1.00 0.00 H new ATOM 349 N PRO B 3 -6.957 1.629 -16.421 1.00 0.00 N ATOM 350 CA PRO B 3 -5.486 1.846 -16.594 1.00 0.00 C ATOM 351 C PRO B 3 -4.766 1.997 -15.252 1.00 0.00 C ATOM 352 O PRO B 3 -3.549 1.830 -15.163 1.00 0.00 O ATOM 353 CB PRO B 3 -5.403 3.141 -17.429 1.00 0.00 C ATOM 354 CG PRO B 3 -6.698 3.848 -17.180 1.00 0.00 C ATOM 355 CD PRO B 3 -7.737 2.755 -16.972 1.00 0.00 C ATOM 0 HA PRO B 3 -4.997 1.000 -17.076 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.554 3.753 -17.124 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -5.272 2.920 -18.488 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.629 4.493 -16.304 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.964 4.484 -18.024 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -8.521 3.073 -16.284 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -8.225 2.484 -17.908 1.00 0.00 H new ATOM 363 N GLU B 4 -5.528 2.313 -14.215 1.00 0.00 N ATOM 364 CA GLU B 4 -4.959 2.490 -12.884 1.00 0.00 C ATOM 365 C GLU B 4 -4.372 1.180 -12.373 1.00 0.00 C ATOM 366 O GLU B 4 -3.628 1.164 -11.393 1.00 0.00 O ATOM 367 CB GLU B 4 -6.030 2.992 -11.916 1.00 0.00 C ATOM 368 CG GLU B 4 -6.526 4.368 -12.370 1.00 0.00 C ATOM 369 CD GLU B 4 -5.407 5.398 -12.243 1.00 0.00 C ATOM 370 OE1 GLU B 4 -4.476 5.144 -11.498 1.00 0.00 O ATOM 371 OE2 GLU B 4 -5.498 6.426 -12.895 1.00 0.00 O ATOM 0 H GLU B 4 -6.537 2.452 -14.267 1.00 0.00 H new ATOM 0 HA GLU B 4 -4.160 3.229 -12.947 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.861 2.288 -11.880 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.622 3.056 -10.907 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.868 4.317 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -7.381 4.672 -11.766 1.00 0.00 H new ATOM 378 N ALA B 5 -4.716 0.086 -13.045 1.00 0.00 N ATOM 379 CA ALA B 5 -4.225 -1.231 -12.660 1.00 0.00 C ATOM 380 C ALA B 5 -2.699 -1.260 -12.694 1.00 0.00 C ATOM 381 O ALA B 5 -2.067 -2.049 -11.992 1.00 0.00 O ATOM 382 CB ALA B 5 -4.782 -2.300 -13.603 1.00 0.00 C ATOM 0 H ALA B 5 -5.332 0.086 -13.858 1.00 0.00 H new ATOM 0 HA ALA B 5 -4.561 -1.441 -11.644 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.408 -3.279 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.871 -2.297 -13.553 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.465 -2.086 -14.624 1.00 0.00 H new ATOM 388 N GLU B 6 -2.113 -0.399 -13.516 1.00 0.00 N ATOM 389 CA GLU B 6 -0.661 -0.345 -13.634 1.00 0.00 C ATOM 390 C GLU B 6 -0.033 0.003 -12.287 1.00 0.00 C ATOM 391 O GLU B 6 1.014 -0.535 -11.922 1.00 0.00 O ATOM 392 CB GLU B 6 -0.264 0.716 -14.667 1.00 0.00 C ATOM 393 CG GLU B 6 -0.672 0.248 -16.064 1.00 0.00 C ATOM 394 CD GLU B 6 -0.348 1.327 -17.093 1.00 0.00 C ATOM 395 OE1 GLU B 6 0.104 2.386 -16.690 1.00 0.00 O ATOM 396 OE2 GLU B 6 -0.557 1.077 -18.269 1.00 0.00 O ATOM 0 H GLU B 6 -2.614 0.265 -14.106 1.00 0.00 H new ATOM 0 HA GLU B 6 -0.301 -1.322 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -0.748 1.664 -14.434 1.00 0.00 H new ATOM 0 HB3 GLU B 6 0.811 0.890 -14.630 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -0.148 -0.674 -16.315 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.738 0.024 -16.084 1.00 0.00 H new ATOM 403 N GLU B 7 -0.676 0.900 -11.547 1.00 0.00 N ATOM 404 CA GLU B 7 -0.161 1.300 -10.241 1.00 0.00 C ATOM 405 C GLU B 7 -0.144 0.106 -9.287 1.00 0.00 C ATOM 406 O GLU B 7 0.801 -0.085 -8.525 1.00 0.00 O ATOM 407 CB GLU B 7 -1.034 2.414 -9.655 1.00 0.00 C ATOM 408 CG GLU B 7 -0.396 2.949 -8.369 1.00 0.00 C ATOM 409 CD GLU B 7 0.930 3.631 -8.695 1.00 0.00 C ATOM 410 OE1 GLU B 7 1.958 2.977 -8.586 1.00 0.00 O ATOM 411 OE2 GLU B 7 0.901 4.796 -9.053 1.00 0.00 O ATOM 0 H GLU B 7 -1.544 1.359 -11.824 1.00 0.00 H new ATOM 0 HA GLU B 7 0.858 1.667 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.146 3.221 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.034 2.033 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.070 3.656 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.232 2.132 -7.666 1.00 0.00 H new ATOM 418 N ILE B 8 -1.197 -0.698 -9.340 1.00 0.00 N ATOM 419 CA ILE B 8 -1.299 -1.876 -8.485 1.00 0.00 C ATOM 420 C ILE B 8 -0.173 -2.856 -8.809 1.00 0.00 C ATOM 421 O ILE B 8 0.399 -3.476 -7.911 1.00 0.00 O ATOM 422 CB ILE B 8 -2.665 -2.557 -8.674 1.00 0.00 C ATOM 423 CG1 ILE B 8 -3.738 -1.760 -7.919 1.00 0.00 C ATOM 424 CG2 ILE B 8 -2.611 -3.992 -8.126 1.00 0.00 C ATOM 425 CD1 ILE B 8 -3.817 -0.335 -8.476 1.00 0.00 C ATOM 0 H ILE B 8 -1.992 -0.558 -9.964 1.00 0.00 H new ATOM 0 HA ILE B 8 -1.207 -1.563 -7.445 1.00 0.00 H new ATOM 0 HB ILE B 8 -2.910 -2.588 -9.736 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -4.706 -2.252 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE B 8 -3.501 -1.732 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE B 8 -3.581 -4.470 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE B 8 -1.849 -4.558 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -2.365 -3.967 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -4.580 0.225 -7.936 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -2.852 0.157 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -4.075 -0.372 -9.534 1.00 0.00 H new ATOM 437 N THR B 9 0.124 -3.004 -10.093 1.00 0.00 N ATOM 438 CA THR B 9 1.163 -3.929 -10.515 1.00 0.00 C ATOM 439 C THR B 9 2.488 -3.543 -9.872 1.00 0.00 C ATOM 440 O THR B 9 3.224 -4.399 -9.379 1.00 0.00 O ATOM 441 CB THR B 9 1.296 -3.893 -12.043 1.00 0.00 C ATOM 442 OG1 THR B 9 0.070 -4.300 -12.635 1.00 0.00 O ATOM 443 CG2 THR B 9 2.417 -4.834 -12.486 1.00 0.00 C ATOM 0 H THR B 9 -0.335 -2.501 -10.852 1.00 0.00 H new ATOM 0 HA THR B 9 0.895 -4.938 -10.202 1.00 0.00 H new ATOM 0 HB THR B 9 1.533 -2.878 -12.361 1.00 0.00 H new ATOM 0 HG1 THR B 9 -0.619 -3.627 -12.456 1.00 0.00 H new ATOM 0 HG21 THR B 9 2.508 -4.806 -13.572 1.00 0.00 H new ATOM 0 HG22 THR B 9 3.357 -4.518 -12.034 1.00 0.00 H new ATOM 0 HG23 THR B 9 2.186 -5.851 -12.168 1.00 0.00 H new ATOM 451 N ARG B 10 2.779 -2.247 -9.856 1.00 0.00 N ATOM 452 CA ARG B 10 4.006 -1.762 -9.236 1.00 0.00 C ATOM 453 C ARG B 10 3.979 -2.029 -7.734 1.00 0.00 C ATOM 454 O ARG B 10 4.999 -2.358 -7.135 1.00 0.00 O ATOM 455 CB ARG B 10 4.186 -0.267 -9.496 1.00 0.00 C ATOM 456 CG ARG B 10 4.520 -0.035 -10.972 1.00 0.00 C ATOM 457 CD ARG B 10 4.971 1.409 -11.167 1.00 0.00 C ATOM 458 NE ARG B 10 3.895 2.328 -10.815 1.00 0.00 N ATOM 459 CZ ARG B 10 2.972 2.680 -11.706 1.00 0.00 C ATOM 460 NH1 ARG B 10 2.025 3.510 -11.370 1.00 0.00 N ATOM 461 NH2 ARG B 10 3.014 2.193 -12.917 1.00 0.00 N ATOM 0 H ARG B 10 2.189 -1.520 -10.261 1.00 0.00 H new ATOM 0 HA ARG B 10 4.847 -2.296 -9.677 1.00 0.00 H new ATOM 0 HB2 ARG B 10 3.275 0.270 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG B 10 4.984 0.128 -8.867 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.306 -0.720 -11.291 1.00 0.00 H new ATOM 0 HG3 ARG B 10 3.647 -0.242 -11.591 1.00 0.00 H new ATOM 0 HD2 ARG B 10 5.846 1.610 -10.550 1.00 0.00 H new ATOM 0 HD3 ARG B 10 5.269 1.567 -12.204 1.00 0.00 H new ATOM 0 HE ARG B 10 3.849 2.707 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG B 10 1.992 3.890 -10.424 1.00 0.00 H new ATOM 0 HH12 ARG B 10 1.317 3.780 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG B 10 3.755 1.543 -13.180 1.00 0.00 H new ATOM 0 HH22 ARG B 10 2.306 2.463 -13.600 1.00 0.00 H new ATOM 475 N CYS B 11 2.802 -1.879 -7.133 1.00 0.00 N ATOM 476 CA CYS B 11 2.652 -2.103 -5.699 1.00 0.00 C ATOM 477 C CYS B 11 3.184 -3.479 -5.323 1.00 0.00 C ATOM 478 O CYS B 11 3.953 -3.621 -4.372 1.00 0.00 O ATOM 479 CB CYS B 11 1.175 -1.995 -5.316 1.00 0.00 C ATOM 480 SG CYS B 11 1.036 -1.797 -3.526 1.00 0.00 S ATOM 0 H CYS B 11 1.944 -1.605 -7.613 1.00 0.00 H new ATOM 0 HA CYS B 11 3.223 -1.347 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS B 11 0.717 -1.146 -5.824 1.00 0.00 H new ATOM 0 HB3 CYS B 11 0.638 -2.887 -5.638 1.00 0.00 H new ATOM 0 HG CYS B 11 -0.218 -1.703 -3.196 1.00 0.00 H new ATOM 485 N LYS B 12 2.784 -4.490 -6.085 1.00 0.00 N ATOM 486 CA LYS B 12 3.243 -5.850 -5.828 1.00 0.00 C ATOM 487 C LYS B 12 4.757 -5.942 -6.002 1.00 0.00 C ATOM 488 O LYS B 12 5.451 -6.568 -5.201 1.00 0.00 O ATOM 489 CB LYS B 12 2.549 -6.825 -6.783 1.00 0.00 C ATOM 490 CG LYS B 12 2.980 -8.257 -6.458 1.00 0.00 C ATOM 491 CD LYS B 12 2.224 -9.233 -7.360 1.00 0.00 C ATOM 492 CE LYS B 12 2.633 -10.667 -7.015 1.00 0.00 C ATOM 493 NZ LYS B 12 4.065 -10.873 -7.372 1.00 0.00 N ATOM 0 H LYS B 12 2.149 -4.396 -6.878 1.00 0.00 H new ATOM 0 HA LYS B 12 2.992 -6.115 -4.801 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.467 -6.731 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.804 -6.583 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS B 12 4.054 -8.367 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.777 -8.481 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS B 12 1.149 -9.108 -7.229 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.444 -9.022 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS B 12 2.481 -10.854 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS B 12 2.006 -11.376 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 4.269 -11.892 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.257 -10.442 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.670 -10.429 -6.652 1.00 0.00 H new ATOM 507 N LYS B 13 5.261 -5.312 -7.061 1.00 0.00 N ATOM 508 CA LYS B 13 6.692 -5.328 -7.342 1.00 0.00 C ATOM 509 C LYS B 13 7.461 -4.648 -6.212 1.00 0.00 C ATOM 510 O LYS B 13 8.533 -5.102 -5.816 1.00 0.00 O ATOM 511 CB LYS B 13 6.980 -4.621 -8.667 1.00 0.00 C ATOM 512 CG LYS B 13 8.464 -4.765 -9.009 1.00 0.00 C ATOM 513 CD LYS B 13 8.736 -4.127 -10.371 1.00 0.00 C ATOM 514 CE LYS B 13 10.204 -4.335 -10.752 1.00 0.00 C ATOM 515 NZ LYS B 13 11.079 -3.649 -9.761 1.00 0.00 N ATOM 0 H LYS B 13 4.702 -4.787 -7.734 1.00 0.00 H new ATOM 0 HA LYS B 13 7.018 -6.365 -7.417 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.369 -5.051 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.713 -3.567 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS B 13 9.073 -4.286 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.744 -5.818 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.087 -4.570 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS B 13 8.506 -3.062 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS B 13 10.435 -5.400 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS B 13 10.390 -3.941 -11.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 12.029 -3.524 -10.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 10.677 -2.719 -9.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 11.143 -4.225 -8.897 1.00 0.00 H new ATOM 529 N LEU B 14 6.903 -3.559 -5.698 1.00 0.00 N ATOM 530 CA LEU B 14 7.548 -2.826 -4.615 1.00 0.00 C ATOM 531 C LEU B 14 7.682 -3.703 -3.380 1.00 0.00 C ATOM 532 O LEU B 14 8.719 -3.704 -2.719 1.00 0.00 O ATOM 533 CB LEU B 14 6.710 -1.585 -4.280 1.00 0.00 C ATOM 534 CG LEU B 14 6.858 -0.529 -5.394 1.00 0.00 C ATOM 535 CD1 LEU B 14 5.709 0.490 -5.308 1.00 0.00 C ATOM 536 CD2 LEU B 14 8.191 0.223 -5.229 1.00 0.00 C ATOM 0 H LEU B 14 6.014 -3.167 -6.009 1.00 0.00 H new ATOM 0 HA LEU B 14 8.546 -2.526 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU B 14 5.662 -1.863 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU B 14 7.031 -1.166 -3.326 1.00 0.00 H new ATOM 0 HG LEU B 14 6.833 -1.037 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.821 1.232 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.756 -0.025 -5.427 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.735 0.986 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU B 14 8.289 0.967 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU B 14 8.211 0.719 -4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 14 9.018 -0.484 -5.292 1.00 0.00 H new ATOM 548 N LEU B 15 6.632 -4.452 -3.078 1.00 0.00 N ATOM 549 CA LEU B 15 6.653 -5.337 -1.921 1.00 0.00 C ATOM 550 C LEU B 15 7.679 -6.450 -2.119 1.00 0.00 C ATOM 551 O LEU B 15 8.394 -6.825 -1.195 1.00 0.00 O ATOM 552 CB LEU B 15 5.267 -5.941 -1.708 1.00 0.00 C ATOM 553 CG LEU B 15 4.281 -4.837 -1.303 1.00 0.00 C ATOM 554 CD1 LEU B 15 2.861 -5.408 -1.276 1.00 0.00 C ATOM 555 CD2 LEU B 15 4.641 -4.264 0.088 1.00 0.00 C ATOM 0 H LEU B 15 5.763 -4.466 -3.611 1.00 0.00 H new ATOM 0 HA LEU B 15 6.933 -4.757 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.927 -6.429 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.308 -6.708 -0.934 1.00 0.00 H new ATOM 0 HG LEU B 15 4.340 -4.030 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.159 -4.625 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.601 -5.783 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU B 15 2.810 -6.223 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU B 15 3.929 -3.483 0.355 1.00 0.00 H new ATOM 0 HD22 LEU B 15 4.601 -5.061 0.831 1.00 0.00 H new ATOM 0 HD23 LEU B 15 5.646 -3.844 0.059 1.00 0.00 H new ATOM 567 N ASP B 16 7.737 -6.976 -3.333 1.00 0.00 N ATOM 568 CA ASP B 16 8.672 -8.051 -3.652 1.00 0.00 C ATOM 569 C ASP B 16 10.116 -7.580 -3.488 1.00 0.00 C ATOM 570 O ASP B 16 10.980 -8.329 -3.030 1.00 0.00 O ATOM 571 CB ASP B 16 8.447 -8.536 -5.082 1.00 0.00 C ATOM 572 CG ASP B 16 7.134 -9.310 -5.169 1.00 0.00 C ATOM 573 OD1 ASP B 16 6.604 -9.660 -4.127 1.00 0.00 O ATOM 574 OD2 ASP B 16 6.677 -9.536 -6.276 1.00 0.00 O ATOM 0 H ASP B 16 7.151 -6.679 -4.113 1.00 0.00 H new ATOM 0 HA ASP B 16 8.494 -8.874 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP B 16 8.424 -7.686 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP B 16 9.275 -9.172 -5.394 1.00 0.00 H new ATOM 579 N ASP B 17 10.366 -6.338 -3.874 1.00 0.00 N ATOM 580 CA ASP B 17 11.703 -5.765 -3.781 1.00 0.00 C ATOM 581 C ASP B 17 12.127 -5.629 -2.322 1.00 0.00 C ATOM 582 O ASP B 17 13.283 -5.333 -2.028 1.00 0.00 O ATOM 583 CB ASP B 17 11.741 -4.394 -4.458 1.00 0.00 C ATOM 584 CG ASP B 17 11.631 -4.558 -5.971 1.00 0.00 C ATOM 585 OD1 ASP B 17 11.802 -5.672 -6.440 1.00 0.00 O ATOM 586 OD2 ASP B 17 11.373 -3.569 -6.636 1.00 0.00 O ATOM 0 H ASP B 17 9.661 -5.706 -4.255 1.00 0.00 H new ATOM 0 HA ASP B 17 12.397 -6.434 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP B 17 10.923 -3.775 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP B 17 12.668 -3.880 -4.206 1.00 0.00 H new ATOM 591 N SER B 18 11.181 -5.832 -1.414 1.00 0.00 N ATOM 592 CA SER B 18 11.466 -5.713 0.009 1.00 0.00 C ATOM 593 C SER B 18 12.541 -6.700 0.431 1.00 0.00 C ATOM 594 O SER B 18 13.184 -6.530 1.467 1.00 0.00 O ATOM 595 CB SER B 18 10.196 -5.972 0.815 1.00 0.00 C ATOM 596 OG SER B 18 9.891 -7.361 0.783 1.00 0.00 O ATOM 0 H SER B 18 10.216 -6.078 -1.636 1.00 0.00 H new ATOM 0 HA SER B 18 11.825 -4.702 0.201 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.332 -5.642 1.845 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.367 -5.397 0.403 1.00 0.00 H new ATOM 0 HG SER B 18 9.249 -7.539 0.064 1.00 0.00 H new ATOM 602 N SER B 19 12.724 -7.730 -0.371 1.00 0.00 N ATOM 603 CA SER B 19 13.729 -8.751 -0.070 1.00 0.00 C ATOM 604 C SER B 19 15.123 -8.277 -0.454 1.00 0.00 C ATOM 605 O SER B 19 16.127 -8.849 -0.031 1.00 0.00 O ATOM 606 CB SER B 19 13.408 -10.043 -0.824 1.00 0.00 C ATOM 607 OG SER B 19 13.583 -9.824 -2.219 1.00 0.00 O ATOM 0 H SER B 19 12.199 -7.889 -1.231 1.00 0.00 H new ATOM 0 HA SER B 19 13.707 -8.937 1.004 1.00 0.00 H new ATOM 0 HB2 SER B 19 14.060 -10.848 -0.485 1.00 0.00 H new ATOM 0 HB3 SER B 19 12.384 -10.354 -0.618 1.00 0.00 H new ATOM 0 HG SER B 19 12.802 -9.352 -2.577 1.00 0.00 H new ATOM 613 N SER B 20 15.171 -7.221 -1.243 1.00 0.00 N ATOM 614 CA SER B 20 16.445 -6.651 -1.680 1.00 0.00 C ATOM 615 C SER B 20 17.032 -5.746 -0.601 1.00 0.00 C ATOM 616 O SER B 20 16.300 -5.114 0.162 1.00 0.00 O ATOM 617 CB SER B 20 16.255 -5.852 -2.969 1.00 0.00 C ATOM 618 OG SER B 20 17.528 -5.445 -3.457 1.00 0.00 O ATOM 0 H SER B 20 14.347 -6.736 -1.598 1.00 0.00 H new ATOM 0 HA SER B 20 17.136 -7.473 -1.864 1.00 0.00 H new ATOM 0 HB2 SER B 20 15.743 -6.459 -3.715 1.00 0.00 H new ATOM 0 HB3 SER B 20 15.628 -4.980 -2.782 1.00 0.00 H new ATOM 0 HG SER B 20 17.413 -4.933 -4.285 1.00 0.00 H new ATOM 625 N LYS C 1 18.358 -5.677 -0.552 1.00 0.00 N ATOM 626 CA LYS C 1 19.035 -4.835 0.425 1.00 0.00 C ATOM 627 C LYS C 1 18.973 -3.376 0.003 1.00 0.00 C ATOM 628 O LYS C 1 19.661 -2.524 0.566 1.00 0.00 O ATOM 629 CB LYS C 1 20.494 -5.266 0.583 1.00 0.00 C ATOM 630 CG LYS C 1 20.555 -6.611 1.309 1.00 0.00 C ATOM 631 CD LYS C 1 22.014 -7.042 1.465 1.00 0.00 C ATOM 632 CE LYS C 1 22.076 -8.373 2.213 1.00 0.00 C ATOM 633 NZ LYS C 1 21.576 -8.180 3.605 1.00 0.00 N ATOM 0 H3 LYS C 1 18.169 -6.610 -0.134 1.00 0.00 H new ATOM 0 HA LYS C 1 18.527 -4.948 1.383 1.00 0.00 H new ATOM 0 HB2 LYS C 1 20.968 -5.347 -0.395 1.00 0.00 H new ATOM 0 HB3 LYS C 1 21.048 -4.513 1.144 1.00 0.00 H new ATOM 0 HG2 LYS C 1 20.082 -6.529 2.288 1.00 0.00 H new ATOM 0 HG3 LYS C 1 20.000 -7.364 0.749 1.00 0.00 H new ATOM 0 HD2 LYS C 1 22.482 -7.141 0.485 1.00 0.00 H new ATOM 0 HD3 LYS C 1 22.573 -6.281 2.009 1.00 0.00 H new ATOM 0 HE2 LYS C 1 21.473 -9.121 1.698 1.00 0.00 H new ATOM 0 HE3 LYS C 1 23.100 -8.746 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS C 1 21.933 -8.946 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS C 1 21.910 -7.265 3.970 1.00 0.00 H new ATOM 0 HZ3 LYS C 1 20.536 -8.194 3.605 1.00 0.00 H new ATOM 647 N ASN C 2 18.153 -3.098 -1.000 1.00 0.00 N ATOM 648 CA ASN C 2 18.025 -1.738 -1.504 1.00 0.00 C ATOM 649 C ASN C 2 17.492 -0.801 -0.416 1.00 0.00 C ATOM 650 O ASN C 2 16.735 -1.219 0.460 1.00 0.00 O ATOM 651 CB ASN C 2 17.077 -1.718 -2.712 1.00 0.00 C ATOM 652 CG ASN C 2 15.717 -2.270 -2.317 1.00 0.00 C ATOM 653 OD1 ASN C 2 15.597 -2.952 -1.301 1.00 0.00 O ATOM 654 ND2 ASN C 2 14.679 -2.008 -3.061 1.00 0.00 N ATOM 0 H ASN C 2 17.572 -3.787 -1.477 1.00 0.00 H new ATOM 0 HA ASN C 2 19.012 -1.390 -1.808 1.00 0.00 H new ATOM 0 HB2 ASN C 2 16.971 -0.699 -3.084 1.00 0.00 H new ATOM 0 HB3 ASN C 2 17.497 -2.311 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN C 2 13.761 -2.369 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN C 2 14.785 -1.442 -3.903 1.00 0.00 H new ATOM 661 N PRO C 3 17.867 0.457 -0.456 1.00 0.00 N ATOM 662 CA PRO C 3 17.409 1.468 0.548 1.00 0.00 C ATOM 663 C PRO C 3 15.903 1.727 0.459 1.00 0.00 C ATOM 664 O PRO C 3 15.291 2.234 1.399 1.00 0.00 O ATOM 665 CB PRO C 3 18.223 2.730 0.191 1.00 0.00 C ATOM 666 CG PRO C 3 18.601 2.557 -1.244 1.00 0.00 C ATOM 667 CD PRO C 3 18.777 1.058 -1.453 1.00 0.00 C ATOM 0 HA PRO C 3 17.570 1.136 1.574 1.00 0.00 H new ATOM 0 HB2 PRO C 3 17.632 3.634 0.337 1.00 0.00 H new ATOM 0 HB3 PRO C 3 19.106 2.821 0.823 1.00 0.00 H new ATOM 0 HG2 PRO C 3 17.828 2.955 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO C 3 19.522 3.094 -1.473 1.00 0.00 H new ATOM 0 HD2 PRO C 3 18.512 0.761 -2.468 1.00 0.00 H new ATOM 0 HD3 PRO C 3 19.810 0.749 -1.290 1.00 0.00 H new ATOM 675 N GLU C 4 15.317 1.371 -0.675 1.00 0.00 N ATOM 676 CA GLU C 4 13.888 1.569 -0.882 1.00 0.00 C ATOM 677 C GLU C 4 13.083 0.719 0.092 1.00 0.00 C ATOM 678 O GLU C 4 11.880 0.919 0.257 1.00 0.00 O ATOM 679 CB GLU C 4 13.509 1.211 -2.320 1.00 0.00 C ATOM 680 CG GLU C 4 14.228 2.153 -3.290 1.00 0.00 C ATOM 681 CD GLU C 4 13.713 3.580 -3.115 1.00 0.00 C ATOM 682 OE1 GLU C 4 12.622 3.734 -2.591 1.00 0.00 O ATOM 683 OE2 GLU C 4 14.418 4.495 -3.507 1.00 0.00 O ATOM 0 H GLU C 4 15.805 0.945 -1.463 1.00 0.00 H new ATOM 0 HA GLU C 4 13.657 2.619 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU C 4 13.781 0.177 -2.532 1.00 0.00 H new ATOM 0 HB3 GLU C 4 12.430 1.290 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU C 4 15.303 2.121 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU C 4 14.067 1.823 -4.316 1.00 0.00 H new ATOM 690 N ALA C 5 13.757 -0.231 0.729 1.00 0.00 N ATOM 691 CA ALA C 5 13.106 -1.116 1.687 1.00 0.00 C ATOM 692 C ALA C 5 12.478 -0.307 2.820 1.00 0.00 C ATOM 693 O ALA C 5 11.518 -0.748 3.453 1.00 0.00 O ATOM 694 CB ALA C 5 14.120 -2.106 2.266 1.00 0.00 C ATOM 0 H ALA C 5 14.753 -0.408 0.600 1.00 0.00 H new ATOM 0 HA ALA C 5 12.322 -1.667 1.167 1.00 0.00 H new ATOM 0 HB1 ALA C 5 13.622 -2.761 2.980 1.00 0.00 H new ATOM 0 HB2 ALA C 5 14.545 -2.704 1.460 1.00 0.00 H new ATOM 0 HB3 ALA C 5 14.916 -1.558 2.771 1.00 0.00 H new ATOM 700 N GLU C 6 13.028 0.874 3.076 1.00 0.00 N ATOM 701 CA GLU C 6 12.513 1.725 4.141 1.00 0.00 C ATOM 702 C GLU C 6 11.054 2.090 3.871 1.00 0.00 C ATOM 703 O GLU C 6 10.238 2.144 4.792 1.00 0.00 O ATOM 704 CB GLU C 6 13.349 3.007 4.226 1.00 0.00 C ATOM 705 CG GLU C 6 14.748 2.672 4.743 1.00 0.00 C ATOM 706 CD GLU C 6 15.618 3.926 4.750 1.00 0.00 C ATOM 707 OE1 GLU C 6 15.134 4.961 4.322 1.00 0.00 O ATOM 708 OE2 GLU C 6 16.754 3.832 5.182 1.00 0.00 O ATOM 0 H GLU C 6 13.822 1.261 2.567 1.00 0.00 H new ATOM 0 HA GLU C 6 12.575 1.181 5.084 1.00 0.00 H new ATOM 0 HB2 GLU C 6 13.415 3.476 3.244 1.00 0.00 H new ATOM 0 HB3 GLU C 6 12.867 3.725 4.890 1.00 0.00 H new ATOM 0 HG2 GLU C 6 14.683 2.259 5.750 1.00 0.00 H new ATOM 0 HG3 GLU C 6 15.203 1.907 4.114 1.00 0.00 H new ATOM 715 N GLU C 7 10.728 2.336 2.608 1.00 0.00 N ATOM 716 CA GLU C 7 9.360 2.688 2.243 1.00 0.00 C ATOM 717 C GLU C 7 8.414 1.531 2.561 1.00 0.00 C ATOM 718 O GLU C 7 7.306 1.735 3.053 1.00 0.00 O ATOM 719 CB GLU C 7 9.286 3.018 0.749 1.00 0.00 C ATOM 720 CG GLU C 7 7.890 3.545 0.403 1.00 0.00 C ATOM 721 CD GLU C 7 7.659 4.887 1.093 1.00 0.00 C ATOM 722 OE1 GLU C 7 7.077 4.892 2.169 1.00 0.00 O ATOM 723 OE2 GLU C 7 8.070 5.893 0.538 1.00 0.00 O ATOM 0 H GLU C 7 11.383 2.299 1.827 1.00 0.00 H new ATOM 0 HA GLU C 7 9.058 3.562 2.820 1.00 0.00 H new ATOM 0 HB2 GLU C 7 10.040 3.763 0.494 1.00 0.00 H new ATOM 0 HB3 GLU C 7 9.505 2.128 0.159 1.00 0.00 H new ATOM 0 HG2 GLU C 7 7.791 3.659 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU C 7 7.132 2.828 0.718 1.00 0.00 H new ATOM 730 N ILE C 8 8.864 0.316 2.281 1.00 0.00 N ATOM 731 CA ILE C 8 8.059 -0.873 2.546 1.00 0.00 C ATOM 732 C ILE C 8 7.792 -1.001 4.044 1.00 0.00 C ATOM 733 O ILE C 8 6.694 -1.378 4.458 1.00 0.00 O ATOM 734 CB ILE C 8 8.776 -2.130 2.025 1.00 0.00 C ATOM 735 CG1 ILE C 8 8.613 -2.216 0.502 1.00 0.00 C ATOM 736 CG2 ILE C 8 8.168 -3.384 2.676 1.00 0.00 C ATOM 737 CD1 ILE C 8 9.232 -0.978 -0.156 1.00 0.00 C ATOM 0 H ILE C 8 9.779 0.126 1.872 1.00 0.00 H new ATOM 0 HA ILE C 8 7.107 -0.775 2.025 1.00 0.00 H new ATOM 0 HB ILE C 8 9.835 -2.071 2.277 1.00 0.00 H new ATOM 0 HG12 ILE C 8 9.095 -3.119 0.126 1.00 0.00 H new ATOM 0 HG13 ILE C 8 7.557 -2.287 0.243 1.00 0.00 H new ATOM 0 HG21 ILE C 8 8.679 -4.272 2.304 1.00 0.00 H new ATOM 0 HG22 ILE C 8 8.285 -3.325 3.758 1.00 0.00 H new ATOM 0 HG23 ILE C 8 7.108 -3.445 2.428 1.00 0.00 H new ATOM 0 HD11 ILE C 8 9.114 -1.043 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE C 8 8.731 -0.082 0.210 1.00 0.00 H new ATOM 0 HD13 ILE C 8 10.292 -0.927 0.091 1.00 0.00 H new ATOM 749 N THR C 9 8.807 -0.708 4.846 1.00 0.00 N ATOM 750 CA THR C 9 8.670 -0.820 6.290 1.00 0.00 C ATOM 751 C THR C 9 7.547 0.086 6.776 1.00 0.00 C ATOM 752 O THR C 9 6.725 -0.312 7.603 1.00 0.00 O ATOM 753 CB THR C 9 9.988 -0.420 6.964 1.00 0.00 C ATOM 754 OG1 THR C 9 11.023 -1.295 6.537 1.00 0.00 O ATOM 755 CG2 THR C 9 9.838 -0.511 8.485 1.00 0.00 C ATOM 0 H THR C 9 9.723 -0.395 4.525 1.00 0.00 H new ATOM 0 HA THR C 9 8.431 -1.852 6.549 1.00 0.00 H new ATOM 0 HB THR C 9 10.239 0.604 6.687 1.00 0.00 H new ATOM 0 HG1 THR C 9 11.244 -1.108 5.601 1.00 0.00 H new ATOM 0 HG21 THR C 9 10.776 -0.226 8.961 1.00 0.00 H new ATOM 0 HG22 THR C 9 9.046 0.162 8.813 1.00 0.00 H new ATOM 0 HG23 THR C 9 9.585 -1.534 8.765 1.00 0.00 H new ATOM 763 N ARG C 10 7.501 1.301 6.244 1.00 0.00 N ATOM 764 CA ARG C 10 6.452 2.242 6.616 1.00 0.00 C ATOM 765 C ARG C 10 5.091 1.716 6.165 1.00 0.00 C ATOM 766 O ARG C 10 4.090 1.880 6.860 1.00 0.00 O ATOM 767 CB ARG C 10 6.712 3.613 5.992 1.00 0.00 C ATOM 768 CG ARG C 10 7.922 4.262 6.665 1.00 0.00 C ATOM 769 CD ARG C 10 8.007 5.727 6.249 1.00 0.00 C ATOM 770 NE ARG C 10 8.209 5.836 4.809 1.00 0.00 N ATOM 771 CZ ARG C 10 9.431 5.803 4.282 1.00 0.00 C ATOM 772 NH1 ARG C 10 9.587 5.911 2.992 1.00 0.00 N ATOM 773 NH2 ARG C 10 10.474 5.662 5.055 1.00 0.00 N ATOM 0 H ARG C 10 8.170 1.655 5.561 1.00 0.00 H new ATOM 0 HA ARG C 10 6.454 2.347 7.701 1.00 0.00 H new ATOM 0 HB2 ARG C 10 6.891 3.509 4.922 1.00 0.00 H new ATOM 0 HB3 ARG C 10 5.834 4.249 6.108 1.00 0.00 H new ATOM 0 HG2 ARG C 10 7.834 4.185 7.749 1.00 0.00 H new ATOM 0 HG3 ARG C 10 8.835 3.738 6.381 1.00 0.00 H new ATOM 0 HD2 ARG C 10 7.092 6.246 6.535 1.00 0.00 H new ATOM 0 HD3 ARG C 10 8.828 6.214 6.776 1.00 0.00 H new ATOM 0 HE ARG C 10 7.401 5.939 4.195 1.00 0.00 H new ATOM 0 HH11 ARG C 10 8.773 6.021 2.387 1.00 0.00 H new ATOM 0 HH12 ARG C 10 10.523 5.886 2.588 1.00 0.00 H new ATOM 0 HH21 ARG C 10 10.353 5.577 6.064 1.00 0.00 H new ATOM 0 HH22 ARG C 10 11.410 5.637 4.650 1.00 0.00 H new ATOM 787 N CYS C 11 5.065 1.086 4.993 1.00 0.00 N ATOM 788 CA CYS C 11 3.821 0.545 4.457 1.00 0.00 C ATOM 789 C CYS C 11 3.157 -0.363 5.485 1.00 0.00 C ATOM 790 O CYS C 11 1.962 -0.245 5.753 1.00 0.00 O ATOM 791 CB CYS C 11 4.117 -0.251 3.183 1.00 0.00 C ATOM 792 SG CYS C 11 2.578 -0.524 2.271 1.00 0.00 S ATOM 0 H CYS C 11 5.883 0.939 4.402 1.00 0.00 H new ATOM 0 HA CYS C 11 3.146 1.369 4.225 1.00 0.00 H new ATOM 0 HB2 CYS C 11 4.830 0.290 2.561 1.00 0.00 H new ATOM 0 HB3 CYS C 11 4.576 -1.206 3.437 1.00 0.00 H new ATOM 0 HG CYS C 11 2.829 -1.198 1.188 1.00 0.00 H new ATOM 797 N LYS C 12 3.945 -1.259 6.071 1.00 0.00 N ATOM 798 CA LYS C 12 3.421 -2.171 7.082 1.00 0.00 C ATOM 799 C LYS C 12 2.921 -1.390 8.294 1.00 0.00 C ATOM 800 O LYS C 12 1.854 -1.678 8.838 1.00 0.00 O ATOM 801 CB LYS C 12 4.511 -3.155 7.512 1.00 0.00 C ATOM 802 CG LYS C 12 3.930 -4.159 8.510 1.00 0.00 C ATOM 803 CD LYS C 12 4.996 -5.195 8.870 1.00 0.00 C ATOM 804 CE LYS C 12 4.407 -6.217 9.844 1.00 0.00 C ATOM 805 NZ LYS C 12 4.096 -5.549 11.141 1.00 0.00 N ATOM 0 H LYS C 12 4.938 -1.373 5.866 1.00 0.00 H new ATOM 0 HA LYS C 12 2.586 -2.725 6.653 1.00 0.00 H new ATOM 0 HB2 LYS C 12 4.906 -3.679 6.642 1.00 0.00 H new ATOM 0 HB3 LYS C 12 5.343 -2.616 7.965 1.00 0.00 H new ATOM 0 HG2 LYS C 12 3.593 -3.642 9.408 1.00 0.00 H new ATOM 0 HG3 LYS C 12 3.058 -4.653 8.080 1.00 0.00 H new ATOM 0 HD2 LYS C 12 5.349 -5.697 7.969 1.00 0.00 H new ATOM 0 HD3 LYS C 12 5.859 -4.703 9.320 1.00 0.00 H new ATOM 0 HE2 LYS C 12 3.502 -6.656 9.423 1.00 0.00 H new ATOM 0 HE3 LYS C 12 5.113 -7.032 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS C 12 3.957 -6.269 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS C 12 4.885 -4.927 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS C 12 3.229 -4.984 11.041 1.00 0.00 H new ATOM 819 N LYS C 13 3.703 -0.399 8.712 1.00 0.00 N ATOM 820 CA LYS C 13 3.341 0.420 9.863 1.00 0.00 C ATOM 821 C LYS C 13 2.043 1.175 9.587 1.00 0.00 C ATOM 822 O LYS C 13 1.193 1.312 10.466 1.00 0.00 O ATOM 823 CB LYS C 13 4.461 1.411 10.184 1.00 0.00 C ATOM 824 CG LYS C 13 4.121 2.164 11.471 1.00 0.00 C ATOM 825 CD LYS C 13 5.274 3.104 11.830 1.00 0.00 C ATOM 826 CE LYS C 13 4.967 3.810 13.151 1.00 0.00 C ATOM 827 NZ LYS C 13 3.750 4.653 12.997 1.00 0.00 N ATOM 0 H LYS C 13 4.588 -0.145 8.273 1.00 0.00 H new ATOM 0 HA LYS C 13 3.194 -0.236 10.721 1.00 0.00 H new ATOM 0 HB2 LYS C 13 5.407 0.882 10.298 1.00 0.00 H new ATOM 0 HB3 LYS C 13 4.586 2.114 9.361 1.00 0.00 H new ATOM 0 HG2 LYS C 13 3.201 2.733 11.340 1.00 0.00 H new ATOM 0 HG3 LYS C 13 3.946 1.458 12.283 1.00 0.00 H new ATOM 0 HD2 LYS C 13 6.203 2.541 11.914 1.00 0.00 H new ATOM 0 HD3 LYS C 13 5.418 3.839 11.038 1.00 0.00 H new ATOM 0 HE2 LYS C 13 4.814 3.075 13.941 1.00 0.00 H new ATOM 0 HE3 LYS C 13 5.814 4.428 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS C 13 3.704 5.341 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS C 13 3.791 5.159 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS C 13 2.904 4.049 13.018 1.00 0.00 H new ATOM 841 N LEU C 14 1.897 1.663 8.362 1.00 0.00 N ATOM 842 CA LEU C 14 0.700 2.403 7.985 1.00 0.00 C ATOM 843 C LEU C 14 -0.532 1.520 8.098 1.00 0.00 C ATOM 844 O LEU C 14 -1.574 1.954 8.589 1.00 0.00 O ATOM 845 CB LEU C 14 0.850 2.900 6.541 1.00 0.00 C ATOM 846 CG LEU C 14 1.867 4.057 6.482 1.00 0.00 C ATOM 847 CD1 LEU C 14 2.357 4.251 5.035 1.00 0.00 C ATOM 848 CD2 LEU C 14 1.203 5.364 6.956 1.00 0.00 C ATOM 0 H LEU C 14 2.587 1.561 7.618 1.00 0.00 H new ATOM 0 HA LEU C 14 0.579 3.251 8.659 1.00 0.00 H new ATOM 0 HB2 LEU C 14 1.179 2.083 5.899 1.00 0.00 H new ATOM 0 HB3 LEU C 14 -0.115 3.234 6.161 1.00 0.00 H new ATOM 0 HG LEU C 14 2.709 3.813 7.129 1.00 0.00 H new ATOM 0 HD11 LEU C 14 3.075 5.070 5.001 1.00 0.00 H new ATOM 0 HD12 LEU C 14 2.834 3.335 4.687 1.00 0.00 H new ATOM 0 HD13 LEU C 14 1.509 4.485 4.392 1.00 0.00 H new ATOM 0 HD21 LEU C 14 1.928 6.177 6.912 1.00 0.00 H new ATOM 0 HD22 LEU C 14 0.356 5.597 6.310 1.00 0.00 H new ATOM 0 HD23 LEU C 14 0.855 5.244 7.982 1.00 0.00 H new ATOM 860 N LEU C 15 -0.407 0.281 7.651 1.00 0.00 N ATOM 861 CA LEU C 15 -1.521 -0.656 7.719 1.00 0.00 C ATOM 862 C LEU C 15 -1.863 -0.970 9.171 1.00 0.00 C ATOM 863 O LEU C 15 -3.028 -1.070 9.541 1.00 0.00 O ATOM 864 CB LEU C 15 -1.161 -1.942 6.977 1.00 0.00 C ATOM 865 CG LEU C 15 -1.029 -1.647 5.475 1.00 0.00 C ATOM 866 CD1 LEU C 15 -0.481 -2.885 4.761 1.00 0.00 C ATOM 867 CD2 LEU C 15 -2.398 -1.258 4.870 1.00 0.00 C ATOM 0 H LEU C 15 0.446 -0.099 7.240 1.00 0.00 H new ATOM 0 HA LEU C 15 -2.392 -0.201 7.247 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -0.225 -2.347 7.362 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -1.928 -2.698 7.144 1.00 0.00 H new ATOM 0 HG LEU C 15 -0.344 -0.810 5.341 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -0.386 -2.678 3.695 1.00 0.00 H new ATOM 0 HD12 LEU C 15 0.497 -3.138 5.170 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -1.163 -3.722 4.909 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -2.281 -1.053 3.806 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -3.102 -2.079 5.006 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -2.777 -0.367 5.371 1.00 0.00 H new ATOM 879 N ASP C 16 -0.833 -1.131 9.989 1.00 0.00 N ATOM 880 CA ASP C 16 -1.026 -1.440 11.403 1.00 0.00 C ATOM 881 C ASP C 16 -1.759 -0.304 12.113 1.00 0.00 C ATOM 882 O ASP C 16 -2.599 -0.536 12.983 1.00 0.00 O ATOM 883 CB ASP C 16 0.324 -1.681 12.075 1.00 0.00 C ATOM 884 CG ASP C 16 0.913 -3.007 11.605 1.00 0.00 C ATOM 885 OD1 ASP C 16 0.178 -3.787 11.021 1.00 0.00 O ATOM 886 OD2 ASP C 16 2.092 -3.222 11.833 1.00 0.00 O ATOM 0 H ASP C 16 0.143 -1.054 9.702 1.00 0.00 H new ATOM 0 HA ASP C 16 -1.633 -2.343 11.475 1.00 0.00 H new ATOM 0 HB2 ASP C 16 1.008 -0.866 11.838 1.00 0.00 H new ATOM 0 HB3 ASP C 16 0.203 -1.691 13.158 1.00 0.00 H new ATOM 891 N ASP C 17 -1.426 0.922 11.736 1.00 0.00 N ATOM 892 CA ASP C 17 -2.042 2.098 12.338 1.00 0.00 C ATOM 893 C ASP C 17 -3.526 2.157 12.000 1.00 0.00 C ATOM 894 O ASP C 17 -4.266 2.971 12.549 1.00 0.00 O ATOM 895 CB ASP C 17 -1.350 3.371 11.842 1.00 0.00 C ATOM 896 CG ASP C 17 0.052 3.465 12.435 1.00 0.00 C ATOM 897 OD1 ASP C 17 0.327 2.736 13.375 1.00 0.00 O ATOM 898 OD2 ASP C 17 0.832 4.259 11.939 1.00 0.00 O ATOM 0 H ASP C 17 -0.733 1.129 11.017 1.00 0.00 H new ATOM 0 HA ASP C 17 -1.929 2.027 13.420 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -1.294 3.364 10.753 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -1.934 4.247 12.126 1.00 0.00 H new ATOM 903 N SER C 18 -3.954 1.298 11.083 1.00 0.00 N ATOM 904 CA SER C 18 -5.349 1.271 10.666 1.00 0.00 C ATOM 905 C SER C 18 -6.261 0.961 11.841 1.00 0.00 C ATOM 906 O SER C 18 -7.459 1.240 11.804 1.00 0.00 O ATOM 907 CB SER C 18 -5.547 0.216 9.581 1.00 0.00 C ATOM 908 OG SER C 18 -5.480 -1.080 10.166 1.00 0.00 O ATOM 0 H SER C 18 -3.358 0.614 10.616 1.00 0.00 H new ATOM 0 HA SER C 18 -5.605 2.255 10.274 1.00 0.00 H new ATOM 0 HB2 SER C 18 -6.511 0.357 9.092 1.00 0.00 H new ATOM 0 HB3 SER C 18 -4.781 0.320 8.812 1.00 0.00 H new ATOM 0 HG SER C 18 -4.553 -1.398 10.151 1.00 0.00 H new ATOM 914 N SER C 19 -5.689 0.379 12.876 1.00 0.00 N ATOM 915 CA SER C 19 -6.464 0.025 14.068 1.00 0.00 C ATOM 916 C SER C 19 -6.689 1.241 14.956 1.00 0.00 C ATOM 917 O SER C 19 -7.534 1.224 15.851 1.00 0.00 O ATOM 918 CB SER C 19 -5.736 -1.059 14.865 1.00 0.00 C ATOM 919 OG SER C 19 -4.537 -0.517 15.407 1.00 0.00 O ATOM 0 H SER C 19 -4.699 0.139 12.925 1.00 0.00 H new ATOM 0 HA SER C 19 -7.433 -0.350 13.739 1.00 0.00 H new ATOM 0 HB2 SER C 19 -6.376 -1.430 15.666 1.00 0.00 H new ATOM 0 HB3 SER C 19 -5.507 -1.908 14.221 1.00 0.00 H new ATOM 0 HG SER C 19 -3.850 -0.481 14.709 1.00 0.00 H new ATOM 925 N SER C 20 -5.940 2.293 14.690 1.00 0.00 N ATOM 926 CA SER C 20 -6.064 3.532 15.456 1.00 0.00 C ATOM 927 C SER C 20 -7.240 4.365 14.952 1.00 0.00 C ATOM 928 O SER C 20 -7.548 4.363 13.760 1.00 0.00 O ATOM 929 CB SER C 20 -4.777 4.352 15.353 1.00 0.00 C ATOM 930 OG SER C 20 -4.843 5.443 16.263 1.00 0.00 O ATOM 0 H SER C 20 -5.238 2.321 13.951 1.00 0.00 H new ATOM 0 HA SER C 20 -6.240 3.267 16.498 1.00 0.00 H new ATOM 0 HB2 SER C 20 -3.914 3.726 15.579 1.00 0.00 H new ATOM 0 HB3 SER C 20 -4.646 4.719 14.335 1.00 0.00 H new ATOM 0 HG SER C 20 -4.019 5.970 16.202 1.00 0.00 H new