USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN :FLIP amide:sc= 0.902 F(o=-9.5,f=-6.7) USER MOD Set 1.2: A 48 ASN :FLIP amide:sc= -8.1! C(o=-7.7!,f=-6.7!) USER MOD Set 1.3: A 85 THR OG1 : rot 116:sc= 0.523 USER MOD Set 2.1: A 27 GLN : amide:sc= -16.5! C(o=-17!,f=-23!) USER MOD Set 2.2: A 30 THR OG1 : rot -169:sc= -0.908 USER MOD Set 2.3: A 32 TYR OH : rot -136:sc= 0.833 USER MOD Set 3.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 17 THR OG1 : rot -170:sc= -1.11! USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.843! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 33:sc= 1.11 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -130:sc= -1.95! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -53:sc= -5.35! USER MOD Single : A 60 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.86!) USER MOD Single : A 62 SER OG : rot -6:sc= -0.907 USER MOD Single : A 64 SER OG : rot 52:sc= 0.56 USER MOD Single : A 65 THR OG1 : rot -110:sc= -0.762 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 117:sc= -6.85! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -4:sc= 0.621 USER MOD Single : A 94 GLN : amide:sc=-0.00541 K(o=-0.0054,f=-1.6) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N PRO A 3 -9.524 -2.932 10.167 1.00 0.00 N ATOM 22 CA PRO A 3 -8.751 -1.726 9.934 1.00 0.00 C ATOM 23 C PRO A 3 -8.799 -1.318 8.461 1.00 0.00 C ATOM 24 O PRO A 3 -7.843 -1.537 7.720 1.00 0.00 O ATOM 25 CB PRO A 3 -7.347 -2.060 10.412 1.00 0.00 C ATOM 26 CG PRO A 3 -7.273 -3.578 10.461 1.00 0.00 C ATOM 27 CD PRO A 3 -8.691 -4.116 10.363 1.00 0.00 C ATOM 0 HA PRO A 3 -9.146 -0.864 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.597 -1.654 9.734 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.156 -1.628 11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.663 -3.957 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.803 -3.908 11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.793 -4.814 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.974 -4.654 11.268 1.00 0.00 H new ATOM 35 N THR A 4 -9.925 -0.731 8.080 1.00 0.00 N ATOM 36 CA THR A 4 -10.111 -0.290 6.707 1.00 0.00 C ATOM 37 C THR A 4 -9.546 -1.328 5.734 1.00 0.00 C ATOM 38 O THR A 4 -9.956 -2.487 5.751 1.00 0.00 O ATOM 39 CB THR A 4 -9.469 1.091 6.563 1.00 0.00 C ATOM 40 OG1 THR A 4 -8.069 0.830 6.612 1.00 0.00 O ATOM 41 CG2 THR A 4 -9.723 1.984 7.780 1.00 0.00 C ATOM 0 H THR A 4 -10.717 -0.551 8.697 1.00 0.00 H new ATOM 0 HA THR A 4 -11.169 -0.199 6.459 1.00 0.00 H new ATOM 0 HB THR A 4 -9.854 1.578 5.667 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.576 1.672 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.246 2.952 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.796 2.125 7.911 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.308 1.512 8.671 1.00 0.00 H new ATOM 49 N ALA A 5 -8.618 -0.871 4.907 1.00 0.00 N ATOM 50 CA ALA A 5 -7.995 -1.744 3.928 1.00 0.00 C ATOM 51 C ALA A 5 -6.819 -2.478 4.579 1.00 0.00 C ATOM 52 O ALA A 5 -5.948 -1.851 5.178 1.00 0.00 O ATOM 53 CB ALA A 5 -7.565 -0.923 2.711 1.00 0.00 C ATOM 0 H ALA A 5 -8.283 0.092 4.895 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.703 -2.496 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.097 -1.579 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.439 -0.446 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.852 -0.159 3.021 1.00 0.00 H new ATOM 59 N THR A 6 -6.837 -3.796 4.440 1.00 0.00 N ATOM 60 CA THR A 6 -5.783 -4.621 5.008 1.00 0.00 C ATOM 61 C THR A 6 -5.578 -5.879 4.162 1.00 0.00 C ATOM 62 O THR A 6 -6.538 -6.444 3.639 1.00 0.00 O ATOM 63 CB THR A 6 -6.151 -4.920 6.463 1.00 0.00 C ATOM 64 OG1 THR A 6 -7.575 -4.933 6.466 1.00 0.00 O ATOM 65 CG2 THR A 6 -5.785 -3.773 7.406 1.00 0.00 C ATOM 0 H THR A 6 -7.563 -4.312 3.943 1.00 0.00 H new ATOM 0 HA THR A 6 -4.825 -4.102 5.000 1.00 0.00 H new ATOM 0 HB THR A 6 -5.645 -5.830 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.899 -5.122 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.067 -4.036 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.711 -3.594 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.316 -2.870 7.104 1.00 0.00 H new ATOM 73 N VAL A 7 -4.320 -6.283 4.054 1.00 0.00 N ATOM 74 CA VAL A 7 -3.977 -7.464 3.282 1.00 0.00 C ATOM 75 C VAL A 7 -4.385 -8.715 4.061 1.00 0.00 C ATOM 76 O VAL A 7 -4.066 -8.846 5.243 1.00 0.00 O ATOM 77 CB VAL A 7 -2.491 -7.441 2.922 1.00 0.00 C ATOM 78 CG1 VAL A 7 -2.215 -8.276 1.670 1.00 0.00 C ATOM 79 CG2 VAL A 7 -1.991 -6.005 2.746 1.00 0.00 C ATOM 0 H VAL A 7 -3.526 -5.813 4.489 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.525 -7.476 2.340 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.940 -7.888 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.151 -8.242 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.514 -9.309 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.783 -7.873 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.931 -6.017 2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.551 -5.520 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.134 -5.454 3.675 1.00 0.00 H new ATOM 89 N THR A 8 -5.083 -9.605 3.371 1.00 0.00 N ATOM 90 CA THR A 8 -5.537 -10.840 3.983 1.00 0.00 C ATOM 91 C THR A 8 -4.491 -11.360 4.973 1.00 0.00 C ATOM 92 O THR A 8 -4.795 -11.578 6.144 1.00 0.00 O ATOM 93 CB THR A 8 -5.861 -11.832 2.866 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.285 -11.901 2.863 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.421 -13.259 3.200 1.00 0.00 C ATOM 0 H THR A 8 -5.345 -9.494 2.392 1.00 0.00 H new ATOM 0 HA THR A 8 -6.443 -10.681 4.568 1.00 0.00 H new ATOM 0 HB THR A 8 -5.375 -11.509 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.581 -12.523 2.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.675 -13.921 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.343 -13.279 3.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.930 -13.595 4.103 1.00 0.00 H new ATOM 103 N PRO A 9 -3.250 -11.549 4.449 1.00 0.00 N ATOM 104 CA PRO A 9 -2.157 -12.040 5.273 1.00 0.00 C ATOM 105 C PRO A 9 -1.636 -10.942 6.204 1.00 0.00 C ATOM 106 O PRO A 9 -2.323 -9.949 6.444 1.00 0.00 O ATOM 107 CB PRO A 9 -1.110 -12.528 4.287 1.00 0.00 C ATOM 108 CG PRO A 9 -1.451 -11.872 2.959 1.00 0.00 C ATOM 109 CD PRO A 9 -2.854 -11.300 3.068 1.00 0.00 C ATOM 0 HA PRO A 9 -2.462 -12.846 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.107 -12.252 4.613 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.129 -13.615 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.734 -11.084 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.397 -12.599 2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.866 -10.234 2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.534 -11.784 2.368 1.00 0.00 H new ATOM 117 N SER A 10 -0.430 -11.157 6.704 1.00 0.00 N ATOM 118 CA SER A 10 0.191 -10.199 7.603 1.00 0.00 C ATOM 119 C SER A 10 1.666 -10.021 7.240 1.00 0.00 C ATOM 120 O SER A 10 2.129 -8.900 7.040 1.00 0.00 O ATOM 121 CB SER A 10 0.052 -10.643 9.060 1.00 0.00 C ATOM 122 OG SER A 10 -1.190 -10.235 9.626 1.00 0.00 O ATOM 0 H SER A 10 0.136 -11.982 6.504 1.00 0.00 H new ATOM 0 HA SER A 10 -0.321 -9.243 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.138 -11.728 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.872 -10.227 9.646 1.00 0.00 H new ATOM 0 HG SER A 10 -1.241 -10.539 10.556 1.00 0.00 H new ATOM 128 N SER A 11 2.364 -11.143 7.165 1.00 0.00 N ATOM 129 CA SER A 11 3.778 -11.126 6.831 1.00 0.00 C ATOM 130 C SER A 11 3.956 -10.919 5.326 1.00 0.00 C ATOM 131 O SER A 11 4.002 -11.885 4.563 1.00 0.00 O ATOM 132 CB SER A 11 4.467 -12.419 7.275 1.00 0.00 C ATOM 133 OG SER A 11 3.985 -13.553 6.557 1.00 0.00 O ATOM 0 H SER A 11 1.977 -12.072 7.330 1.00 0.00 H new ATOM 0 HA SER A 11 4.245 -10.298 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.543 -12.326 7.127 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.304 -12.569 8.342 1.00 0.00 H new ATOM 0 HG SER A 11 3.749 -13.286 5.644 1.00 0.00 H new ATOM 139 N GLY A 12 4.054 -9.655 4.942 1.00 0.00 N ATOM 140 CA GLY A 12 4.226 -9.310 3.541 1.00 0.00 C ATOM 141 C GLY A 12 5.575 -9.804 3.015 1.00 0.00 C ATOM 142 O GLY A 12 5.868 -9.679 1.827 1.00 0.00 O ATOM 0 H GLY A 12 4.018 -8.857 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.420 -9.749 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.158 -8.229 3.418 1.00 0.00 H new ATOM 146 N LEU A 13 6.363 -10.354 3.929 1.00 0.00 N ATOM 147 CA LEU A 13 7.676 -10.867 3.572 1.00 0.00 C ATOM 148 C LEU A 13 7.512 -12.161 2.771 1.00 0.00 C ATOM 149 O LEU A 13 8.083 -13.191 3.125 1.00 0.00 O ATOM 150 CB LEU A 13 8.546 -11.024 4.821 1.00 0.00 C ATOM 151 CG LEU A 13 8.621 -9.805 5.742 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.410 -10.209 7.204 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.934 -9.046 5.542 1.00 0.00 C ATOM 0 H LEU A 13 6.118 -10.455 4.914 1.00 0.00 H new ATOM 0 HA LEU A 13 8.201 -10.159 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.169 -11.868 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.558 -11.279 4.505 1.00 0.00 H new ATOM 0 HG LEU A 13 7.812 -9.125 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.468 -9.324 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.429 -10.672 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.182 -10.919 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.961 -8.184 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.773 -9.705 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.005 -8.707 4.508 1.00 0.00 H new ATOM 165 N SER A 14 6.728 -12.065 1.707 1.00 0.00 N ATOM 166 CA SER A 14 6.482 -13.216 0.852 1.00 0.00 C ATOM 167 C SER A 14 6.708 -12.836 -0.611 1.00 0.00 C ATOM 168 O SER A 14 6.055 -11.932 -1.130 1.00 0.00 O ATOM 169 CB SER A 14 5.064 -13.755 1.050 1.00 0.00 C ATOM 170 OG SER A 14 5.063 -15.127 1.432 1.00 0.00 O ATOM 0 H SER A 14 6.255 -11.209 1.417 1.00 0.00 H new ATOM 0 HA SER A 14 7.182 -14.005 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.556 -13.166 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.498 -13.636 0.126 1.00 0.00 H new ATOM 0 HG SER A 14 4.140 -15.433 1.550 1.00 0.00 H new ATOM 176 N ASP A 15 7.633 -13.547 -1.238 1.00 0.00 N ATOM 177 CA ASP A 15 7.952 -13.297 -2.633 1.00 0.00 C ATOM 178 C ASP A 15 6.681 -12.885 -3.377 1.00 0.00 C ATOM 179 O ASP A 15 5.930 -13.739 -3.851 1.00 0.00 O ATOM 180 CB ASP A 15 8.508 -14.553 -3.306 1.00 0.00 C ATOM 181 CG ASP A 15 9.617 -14.303 -4.330 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.484 -14.836 -5.452 1.00 0.00 O ATOM 183 OD2 ASP A 15 10.571 -13.583 -3.968 1.00 0.00 O ATOM 0 H ASP A 15 8.172 -14.297 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 15 8.702 -12.507 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.891 -15.221 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.689 -15.074 -3.801 1.00 0.00 H new ATOM 189 N GLY A 16 6.475 -11.580 -3.458 1.00 0.00 N ATOM 190 CA GLY A 16 5.306 -11.045 -4.137 1.00 0.00 C ATOM 191 C GLY A 16 4.063 -11.878 -3.824 1.00 0.00 C ATOM 192 O GLY A 16 3.543 -12.575 -4.692 1.00 0.00 O ATOM 0 H GLY A 16 7.098 -10.875 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.143 -10.012 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.479 -11.034 -5.213 1.00 0.00 H new ATOM 196 N THR A 17 3.620 -11.777 -2.577 1.00 0.00 N ATOM 197 CA THR A 17 2.447 -12.514 -2.138 1.00 0.00 C ATOM 198 C THR A 17 1.173 -11.862 -2.681 1.00 0.00 C ATOM 199 O THR A 17 0.921 -10.683 -2.432 1.00 0.00 O ATOM 200 CB THR A 17 2.483 -12.595 -0.612 1.00 0.00 C ATOM 201 OG1 THR A 17 2.434 -13.992 -0.335 1.00 0.00 O ATOM 202 CG2 THR A 17 1.211 -12.042 0.035 1.00 0.00 C ATOM 0 H THR A 17 4.053 -11.196 -1.859 1.00 0.00 H new ATOM 0 HA THR A 17 2.449 -13.530 -2.532 1.00 0.00 H new ATOM 0 HB THR A 17 3.348 -12.045 -0.241 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.294 -14.130 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.289 -12.124 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.087 -10.995 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.349 -12.613 -0.311 1.00 0.00 H new ATOM 210 N VAL A 18 0.408 -12.654 -3.416 1.00 0.00 N ATOM 211 CA VAL A 18 -0.833 -12.170 -3.997 1.00 0.00 C ATOM 212 C VAL A 18 -1.995 -12.504 -3.060 1.00 0.00 C ATOM 213 O VAL A 18 -2.223 -13.668 -2.739 1.00 0.00 O ATOM 214 CB VAL A 18 -1.012 -12.745 -5.403 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.905 -11.842 -6.256 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.341 -12.978 -6.079 1.00 0.00 C ATOM 0 H VAL A 18 0.623 -13.629 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.806 -11.086 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.508 -13.711 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.016 -12.274 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.885 -11.753 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.451 -10.854 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.183 -13.387 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.877 -12.032 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.927 -13.681 -5.487 1.00 0.00 H new ATOM 226 N VAL A 19 -2.700 -11.460 -2.649 1.00 0.00 N ATOM 227 CA VAL A 19 -3.833 -11.628 -1.754 1.00 0.00 C ATOM 228 C VAL A 19 -4.876 -10.549 -2.053 1.00 0.00 C ATOM 229 O VAL A 19 -4.757 -9.820 -3.036 1.00 0.00 O ATOM 230 CB VAL A 19 -3.360 -11.616 -0.300 1.00 0.00 C ATOM 231 CG1 VAL A 19 -2.940 -13.017 0.150 1.00 0.00 C ATOM 232 CG2 VAL A 19 -2.222 -10.614 -0.102 1.00 0.00 C ATOM 0 H VAL A 19 -2.509 -10.495 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.308 -12.595 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.197 -11.300 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.608 -12.982 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.788 -13.696 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.125 -13.372 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.904 -10.625 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.382 -10.887 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.568 -9.614 -0.365 1.00 0.00 H new ATOM 242 N LYS A 20 -5.875 -10.480 -1.184 1.00 0.00 N ATOM 243 CA LYS A 20 -6.937 -9.502 -1.340 1.00 0.00 C ATOM 244 C LYS A 20 -6.965 -8.586 -0.117 1.00 0.00 C ATOM 245 O LYS A 20 -6.864 -9.054 1.017 1.00 0.00 O ATOM 246 CB LYS A 20 -8.270 -10.199 -1.618 1.00 0.00 C ATOM 247 CG LYS A 20 -8.828 -10.842 -0.347 1.00 0.00 C ATOM 248 CD LYS A 20 -10.282 -11.278 -0.546 1.00 0.00 C ATOM 249 CE LYS A 20 -11.168 -10.771 0.595 1.00 0.00 C ATOM 250 NZ LYS A 20 -11.456 -11.863 1.553 1.00 0.00 N ATOM 0 H LYS A 20 -5.970 -11.086 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.748 -8.869 -2.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.987 -9.477 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.133 -10.961 -2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.220 -11.705 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.767 -10.135 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.653 -10.896 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.336 -12.365 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.672 -9.949 1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.101 -10.378 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.058 -11.502 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.949 -12.636 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.564 -12.220 1.951 1.00 0.00 H new ATOM 264 N VAL A 21 -7.107 -7.295 -0.386 1.00 0.00 N ATOM 265 CA VAL A 21 -7.150 -6.309 0.680 1.00 0.00 C ATOM 266 C VAL A 21 -8.604 -5.925 0.954 1.00 0.00 C ATOM 267 O VAL A 21 -9.264 -5.328 0.104 1.00 0.00 O ATOM 268 CB VAL A 21 -6.273 -5.109 0.319 1.00 0.00 C ATOM 269 CG1 VAL A 21 -6.754 -3.844 1.031 1.00 0.00 C ATOM 270 CG2 VAL A 21 -4.802 -5.389 0.633 1.00 0.00 C ATOM 0 H VAL A 21 -7.194 -6.910 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.744 -6.725 1.602 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.360 -4.943 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.113 -3.006 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.780 -3.628 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.712 -3.995 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.201 -4.519 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.690 -5.595 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.465 -6.252 0.059 1.00 0.00 H new ATOM 280 N ALA A 22 -9.064 -6.283 2.145 1.00 0.00 N ATOM 281 CA ALA A 22 -10.430 -5.983 2.542 1.00 0.00 C ATOM 282 C ALA A 22 -10.476 -4.592 3.175 1.00 0.00 C ATOM 283 O ALA A 22 -9.721 -4.302 4.101 1.00 0.00 O ATOM 284 CB ALA A 22 -10.938 -7.073 3.486 1.00 0.00 C ATOM 0 H ALA A 22 -8.515 -6.778 2.848 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.090 -5.972 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.962 -6.848 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.911 -8.037 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.303 -7.113 4.371 1.00 0.00 H new ATOM 290 N GLY A 23 -11.373 -3.769 2.653 1.00 0.00 N ATOM 291 CA GLY A 23 -11.531 -2.415 3.157 1.00 0.00 C ATOM 292 C GLY A 23 -12.781 -2.296 4.030 1.00 0.00 C ATOM 293 O GLY A 23 -13.903 -2.344 3.526 1.00 0.00 O ATOM 0 H GLY A 23 -11.999 -4.014 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.651 -2.134 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.599 -1.718 2.322 1.00 0.00 H new ATOM 297 N ALA A 24 -12.546 -2.143 5.327 1.00 0.00 N ATOM 298 CA ALA A 24 -13.640 -2.016 6.274 1.00 0.00 C ATOM 299 C ALA A 24 -13.721 -0.569 6.764 1.00 0.00 C ATOM 300 O ALA A 24 -13.094 -0.211 7.759 1.00 0.00 O ATOM 301 CB ALA A 24 -13.440 -3.010 7.420 1.00 0.00 C ATOM 0 H ALA A 24 -11.615 -2.104 5.742 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.590 -2.255 5.797 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.261 -2.915 8.131 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.420 -4.025 7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.497 -2.799 7.924 1.00 0.00 H new ATOM 307 N GLY A 25 -14.500 0.225 6.042 1.00 0.00 N ATOM 308 CA GLY A 25 -14.669 1.624 6.391 1.00 0.00 C ATOM 309 C GLY A 25 -13.733 2.512 5.567 1.00 0.00 C ATOM 310 O GLY A 25 -13.272 3.547 6.049 1.00 0.00 O ATOM 0 H GLY A 25 -15.020 -0.075 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.703 1.923 6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.468 1.764 7.453 1.00 0.00 H new ATOM 314 N LEU A 26 -13.479 2.076 4.343 1.00 0.00 N ATOM 315 CA LEU A 26 -12.607 2.818 3.449 1.00 0.00 C ATOM 316 C LEU A 26 -13.435 3.832 2.659 1.00 0.00 C ATOM 317 O LEU A 26 -14.301 4.503 3.220 1.00 0.00 O ATOM 318 CB LEU A 26 -11.803 1.859 2.569 1.00 0.00 C ATOM 319 CG LEU A 26 -10.399 2.326 2.179 1.00 0.00 C ATOM 320 CD1 LEU A 26 -10.377 3.830 1.901 1.00 0.00 C ATOM 321 CD2 LEU A 26 -9.373 1.923 3.241 1.00 0.00 C ATOM 0 H LEU A 26 -13.862 1.217 3.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.871 3.385 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.716 0.906 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.369 1.673 1.656 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.118 1.825 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.367 4.134 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.060 4.059 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.688 4.370 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.383 2.267 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.640 2.377 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.364 0.838 3.345 1.00 0.00 H new ATOM 333 N GLN A 27 -13.143 3.909 1.369 1.00 0.00 N ATOM 334 CA GLN A 27 -13.851 4.830 0.495 1.00 0.00 C ATOM 335 C GLN A 27 -15.340 4.489 0.460 1.00 0.00 C ATOM 336 O GLN A 27 -15.777 3.681 -0.361 1.00 0.00 O ATOM 337 CB GLN A 27 -13.251 4.821 -0.912 1.00 0.00 C ATOM 338 CG GLN A 27 -12.022 5.729 -0.991 1.00 0.00 C ATOM 339 CD GLN A 27 -12.202 6.973 -0.119 1.00 0.00 C ATOM 340 OE1 GLN A 27 -12.780 7.969 -0.526 1.00 0.00 O ATOM 341 NE2 GLN A 27 -11.678 6.861 1.097 1.00 0.00 N ATOM 0 H GLN A 27 -12.426 3.349 0.908 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.740 5.838 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.974 3.803 -1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.999 5.152 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.138 5.179 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.852 6.027 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.208 5.999 1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.746 7.637 1.755 1.00 0.00 H new ATOM 350 N ALA A 28 -16.083 5.119 1.358 1.00 0.00 N ATOM 351 CA ALA A 28 -17.515 4.891 1.441 1.00 0.00 C ATOM 352 C ALA A 28 -18.164 5.279 0.111 1.00 0.00 C ATOM 353 O ALA A 28 -18.713 6.373 -0.021 1.00 0.00 O ATOM 354 CB ALA A 28 -18.091 5.676 2.621 1.00 0.00 C ATOM 0 H ALA A 28 -15.719 5.789 2.036 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.726 3.836 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.166 5.504 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.617 5.344 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.901 6.740 2.478 1.00 0.00 H new ATOM 360 N GLY A 29 -18.083 4.362 -0.842 1.00 0.00 N ATOM 361 CA GLY A 29 -18.655 4.594 -2.155 1.00 0.00 C ATOM 362 C GLY A 29 -17.703 5.411 -3.034 1.00 0.00 C ATOM 363 O GLY A 29 -18.051 5.784 -4.152 1.00 0.00 O ATOM 0 H GLY A 29 -17.629 3.456 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -18.870 3.639 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.604 5.121 -2.054 1.00 0.00 H new ATOM 367 N THR A 30 -16.521 5.664 -2.491 1.00 0.00 N ATOM 368 CA THR A 30 -15.518 6.430 -3.210 1.00 0.00 C ATOM 369 C THR A 30 -14.633 5.499 -4.042 1.00 0.00 C ATOM 370 O THR A 30 -14.844 4.288 -4.061 1.00 0.00 O ATOM 371 CB THR A 30 -14.736 7.259 -2.189 1.00 0.00 C ATOM 372 OG1 THR A 30 -15.360 6.959 -0.945 1.00 0.00 O ATOM 373 CG2 THR A 30 -14.957 8.762 -2.365 1.00 0.00 C ATOM 0 H THR A 30 -16.236 5.352 -1.563 1.00 0.00 H new ATOM 0 HA THR A 30 -15.978 7.114 -3.923 1.00 0.00 H new ATOM 0 HB THR A 30 -13.673 7.035 -2.278 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.035 7.578 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.380 9.305 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.633 9.063 -3.361 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.016 8.991 -2.243 1.00 0.00 H new ATOM 381 N ALA A 31 -13.658 6.101 -4.710 1.00 0.00 N ATOM 382 CA ALA A 31 -12.743 5.341 -5.542 1.00 0.00 C ATOM 383 C ALA A 31 -11.333 5.923 -5.402 1.00 0.00 C ATOM 384 O ALA A 31 -11.075 7.046 -5.831 1.00 0.00 O ATOM 385 CB ALA A 31 -13.237 5.353 -6.989 1.00 0.00 C ATOM 0 H ALA A 31 -13.483 7.106 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.705 4.300 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.549 4.782 -7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.229 4.905 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.285 6.381 -7.349 1.00 0.00 H new ATOM 391 N TYR A 32 -10.458 5.130 -4.799 1.00 0.00 N ATOM 392 CA TYR A 32 -9.083 5.552 -4.598 1.00 0.00 C ATOM 393 C TYR A 32 -8.114 4.649 -5.364 1.00 0.00 C ATOM 394 O TYR A 32 -8.536 3.836 -6.186 1.00 0.00 O ATOM 395 CB TYR A 32 -8.813 5.411 -3.099 1.00 0.00 C ATOM 396 CG TYR A 32 -9.300 6.598 -2.265 1.00 0.00 C ATOM 397 CD1 TYR A 32 -10.082 7.576 -2.848 1.00 0.00 C ATOM 398 CD2 TYR A 32 -8.959 6.692 -0.931 1.00 0.00 C ATOM 399 CE1 TYR A 32 -10.541 8.693 -2.062 1.00 0.00 C ATOM 400 CE2 TYR A 32 -9.419 7.808 -0.146 1.00 0.00 C ATOM 401 CZ TYR A 32 -10.186 8.754 -0.751 1.00 0.00 C ATOM 402 OH TYR A 32 -10.620 9.808 -0.010 1.00 0.00 O ATOM 0 H TYR A 32 -10.675 4.199 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.939 6.572 -4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.296 4.503 -2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.741 5.286 -2.943 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.349 7.504 -3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.347 5.928 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.153 9.465 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.161 7.892 0.899 1.00 0.00 H new ATOM 0 HH TYR A 32 -9.885 10.143 0.544 1.00 0.00 H new ATOM 412 N ASP A 33 -6.835 4.821 -5.069 1.00 0.00 N ATOM 413 CA ASP A 33 -5.802 4.032 -5.719 1.00 0.00 C ATOM 414 C ASP A 33 -5.047 3.221 -4.665 1.00 0.00 C ATOM 415 O ASP A 33 -4.371 3.787 -3.808 1.00 0.00 O ATOM 416 CB ASP A 33 -4.793 4.930 -6.438 1.00 0.00 C ATOM 417 CG ASP A 33 -5.128 5.238 -7.899 1.00 0.00 C ATOM 418 OD1 ASP A 33 -6.172 5.887 -8.117 1.00 0.00 O ATOM 419 OD2 ASP A 33 -4.329 4.817 -8.764 1.00 0.00 O ATOM 0 H ASP A 33 -6.489 5.496 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.284 3.378 -6.446 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.713 5.871 -5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.813 4.455 -6.398 1.00 0.00 H new ATOM 425 N VAL A 34 -5.187 1.906 -4.764 1.00 0.00 N ATOM 426 CA VAL A 34 -4.525 1.011 -3.830 1.00 0.00 C ATOM 427 C VAL A 34 -3.030 0.960 -4.152 1.00 0.00 C ATOM 428 O VAL A 34 -2.637 1.065 -5.313 1.00 0.00 O ATOM 429 CB VAL A 34 -5.191 -0.366 -3.865 1.00 0.00 C ATOM 430 CG1 VAL A 34 -4.203 -1.463 -3.466 1.00 0.00 C ATOM 431 CG2 VAL A 34 -6.433 -0.396 -2.973 1.00 0.00 C ATOM 0 H VAL A 34 -5.749 1.440 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.625 1.381 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.509 -0.559 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.702 -2.432 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.362 -1.464 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.840 -1.276 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.888 -1.386 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.148 -0.171 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.149 0.348 -3.322 1.00 0.00 H new ATOM 441 N GLY A 35 -2.237 0.798 -3.102 1.00 0.00 N ATOM 442 CA GLY A 35 -0.794 0.732 -3.257 1.00 0.00 C ATOM 443 C GLY A 35 -0.093 0.789 -1.898 1.00 0.00 C ATOM 444 O GLY A 35 -0.600 1.401 -0.961 1.00 0.00 O ATOM 0 H GLY A 35 -2.567 0.711 -2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.522 -0.189 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.454 1.559 -3.881 1.00 0.00 H new ATOM 448 N GLN A 36 1.063 0.145 -1.839 1.00 0.00 N ATOM 449 CA GLN A 36 1.839 0.114 -0.610 1.00 0.00 C ATOM 450 C GLN A 36 2.852 1.261 -0.593 1.00 0.00 C ATOM 451 O GLN A 36 3.910 1.169 -1.212 1.00 0.00 O ATOM 452 CB GLN A 36 2.537 -1.236 -0.435 1.00 0.00 C ATOM 453 CG GLN A 36 1.772 -2.347 -1.160 1.00 0.00 C ATOM 454 CD GLN A 36 2.632 -2.979 -2.256 1.00 0.00 C ATOM 455 OE1 GLN A 36 3.259 -2.096 -3.028 1.00 0.00 O flip ATOM 456 NE2 GLN A 36 2.717 -4.188 -2.393 1.00 0.00 N flip ATOM 0 H GLN A 36 1.481 -0.359 -2.621 1.00 0.00 H new ATOM 0 HA GLN A 36 1.157 0.244 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.554 -1.177 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.614 -1.475 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.469 -3.111 -0.445 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.860 -1.940 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.208 -4.810 -1.764 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.297 -4.578 -3.136 1.00 0.00 H new ATOM 465 N CYS A 37 2.491 2.317 0.123 1.00 0.00 N ATOM 466 CA CYS A 37 3.354 3.480 0.229 1.00 0.00 C ATOM 467 C CYS A 37 3.974 3.493 1.627 1.00 0.00 C ATOM 468 O CYS A 37 3.562 2.730 2.500 1.00 0.00 O ATOM 469 CB CYS A 37 2.597 4.775 -0.071 1.00 0.00 C ATOM 470 SG CYS A 37 3.641 6.154 -0.669 1.00 0.00 S ATOM 0 H CYS A 37 1.612 2.390 0.635 1.00 0.00 H new ATOM 0 HA CYS A 37 4.146 3.417 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.832 4.567 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.080 5.095 0.834 1.00 0.00 H new ATOM 475 N ALA A 38 4.957 4.364 1.796 1.00 0.00 N ATOM 476 CA ALA A 38 5.640 4.486 3.073 1.00 0.00 C ATOM 477 C ALA A 38 6.901 5.332 2.895 1.00 0.00 C ATOM 478 O ALA A 38 7.379 5.513 1.775 1.00 0.00 O ATOM 479 CB ALA A 38 5.945 3.091 3.623 1.00 0.00 C ATOM 0 H ALA A 38 5.298 4.993 1.069 1.00 0.00 H new ATOM 0 HA ALA A 38 5.006 4.992 3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.457 3.182 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.013 2.542 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.582 2.554 2.920 1.00 0.00 H new ATOM 485 N TRP A 39 7.407 5.827 4.014 1.00 0.00 N ATOM 486 CA TRP A 39 8.604 6.651 3.996 1.00 0.00 C ATOM 487 C TRP A 39 9.806 5.729 3.771 1.00 0.00 C ATOM 488 O TRP A 39 10.174 4.957 4.653 1.00 0.00 O ATOM 489 CB TRP A 39 8.720 7.483 5.274 1.00 0.00 C ATOM 490 CG TRP A 39 8.472 6.686 6.558 1.00 0.00 C ATOM 491 CD1 TRP A 39 9.320 5.870 7.198 1.00 0.00 C ATOM 492 CD2 TRP A 39 7.256 6.665 7.335 1.00 0.00 C ATOM 493 NE1 TRP A 39 8.742 5.325 8.328 1.00 0.00 N ATOM 494 CE2 TRP A 39 7.449 5.824 8.414 1.00 0.00 C ATOM 495 CE3 TRP A 39 6.036 7.333 7.135 1.00 0.00 C ATOM 496 CZ2 TRP A 39 6.461 5.576 9.376 1.00 0.00 C ATOM 497 CZ3 TRP A 39 5.061 7.074 8.107 1.00 0.00 C ATOM 498 CH2 TRP A 39 5.237 6.231 9.197 1.00 0.00 C ATOM 0 H TRP A 39 7.010 5.673 4.941 1.00 0.00 H new ATOM 0 HA TRP A 39 8.561 7.376 3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 39 9.715 7.925 5.319 1.00 0.00 H new ATOM 0 HB3 TRP A 39 8.007 8.306 5.226 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.329 5.664 6.872 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.184 4.676 8.979 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.864 7.994 6.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.635 4.914 10.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 4.105 7.565 8.001 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.433 6.082 9.903 1.00 0.00 H new ATOM 509 N VAL A 40 10.386 5.844 2.584 1.00 0.00 N ATOM 510 CA VAL A 40 11.538 5.033 2.232 1.00 0.00 C ATOM 511 C VAL A 40 12.813 5.731 2.707 1.00 0.00 C ATOM 512 O VAL A 40 13.635 5.133 3.401 1.00 0.00 O ATOM 513 CB VAL A 40 11.537 4.747 0.730 1.00 0.00 C ATOM 514 CG1 VAL A 40 11.803 6.021 -0.071 1.00 0.00 C ATOM 515 CG2 VAL A 40 12.551 3.656 0.380 1.00 0.00 C ATOM 0 H VAL A 40 10.079 6.487 1.854 1.00 0.00 H new ATOM 0 HA VAL A 40 11.492 4.066 2.733 1.00 0.00 H new ATOM 0 HB VAL A 40 10.546 4.383 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.797 5.789 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.027 6.755 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.775 6.429 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.531 3.471 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.550 3.980 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.296 2.739 0.911 1.00 0.00 H new ATOM 525 N ASP A 41 12.941 6.992 2.315 1.00 0.00 N ATOM 526 CA ASP A 41 14.102 7.779 2.690 1.00 0.00 C ATOM 527 C ASP A 41 13.825 8.484 4.021 1.00 0.00 C ATOM 528 O ASP A 41 12.833 8.192 4.688 1.00 0.00 O ATOM 529 CB ASP A 41 14.404 8.851 1.642 1.00 0.00 C ATOM 530 CG ASP A 41 15.823 8.813 1.072 1.00 0.00 C ATOM 531 OD1 ASP A 41 16.674 8.159 1.710 1.00 0.00 O ATOM 532 OD2 ASP A 41 16.024 9.442 0.010 1.00 0.00 O ATOM 0 H ASP A 41 12.258 7.487 1.741 1.00 0.00 H new ATOM 0 HA ASP A 41 14.955 7.105 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.695 8.745 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.233 9.831 2.087 1.00 0.00 H new ATOM 538 N THR A 42 14.717 9.400 4.366 1.00 0.00 N ATOM 539 CA THR A 42 14.584 10.149 5.604 1.00 0.00 C ATOM 540 C THR A 42 13.269 10.932 5.612 1.00 0.00 C ATOM 541 O THR A 42 13.202 12.042 5.088 1.00 0.00 O ATOM 542 CB THR A 42 15.821 11.036 5.758 1.00 0.00 C ATOM 543 OG1 THR A 42 16.869 10.119 6.062 1.00 0.00 O ATOM 544 CG2 THR A 42 15.744 11.937 6.990 1.00 0.00 C ATOM 0 H THR A 42 15.537 9.641 3.809 1.00 0.00 H new ATOM 0 HA THR A 42 14.537 9.484 6.466 1.00 0.00 H new ATOM 0 HB THR A 42 15.941 11.651 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.710 10.609 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.646 12.546 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.873 12.587 6.912 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.658 11.322 7.886 1.00 0.00 H new ATOM 552 N GLY A 43 12.258 10.323 6.212 1.00 0.00 N ATOM 553 CA GLY A 43 10.950 10.950 6.298 1.00 0.00 C ATOM 554 C GLY A 43 10.413 11.288 4.904 1.00 0.00 C ATOM 555 O GLY A 43 9.507 12.106 4.764 1.00 0.00 O ATOM 0 H GLY A 43 12.318 9.401 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.255 10.283 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.016 11.858 6.897 1.00 0.00 H new ATOM 559 N VAL A 44 10.995 10.638 3.908 1.00 0.00 N ATOM 560 CA VAL A 44 10.587 10.856 2.530 1.00 0.00 C ATOM 561 C VAL A 44 9.516 9.834 2.151 1.00 0.00 C ATOM 562 O VAL A 44 9.818 8.659 1.945 1.00 0.00 O ATOM 563 CB VAL A 44 11.809 10.811 1.609 1.00 0.00 C ATOM 564 CG1 VAL A 44 11.413 11.104 0.160 1.00 0.00 C ATOM 565 CG2 VAL A 44 12.892 11.779 2.088 1.00 0.00 C ATOM 0 H VAL A 44 11.747 9.959 4.027 1.00 0.00 H new ATOM 0 HA VAL A 44 10.146 11.846 2.415 1.00 0.00 H new ATOM 0 HB VAL A 44 12.221 9.803 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.299 11.066 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.693 10.359 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.965 12.096 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.749 11.727 1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.496 12.794 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.204 11.506 3.096 1.00 0.00 H new ATOM 575 N LEU A 45 8.284 10.316 2.071 1.00 0.00 N ATOM 576 CA LEU A 45 7.166 9.460 1.721 1.00 0.00 C ATOM 577 C LEU A 45 7.308 9.011 0.265 1.00 0.00 C ATOM 578 O LEU A 45 7.095 9.802 -0.654 1.00 0.00 O ATOM 579 CB LEU A 45 5.839 10.160 2.022 1.00 0.00 C ATOM 580 CG LEU A 45 4.581 9.295 1.906 1.00 0.00 C ATOM 581 CD1 LEU A 45 4.111 9.205 0.453 1.00 0.00 C ATOM 582 CD2 LEU A 45 4.809 7.913 2.522 1.00 0.00 C ATOM 0 H LEU A 45 8.037 11.290 2.243 1.00 0.00 H new ATOM 0 HA LEU A 45 7.171 8.559 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.886 10.564 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.737 11.008 1.344 1.00 0.00 H new ATOM 0 HG LEU A 45 3.782 9.773 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.216 8.585 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.884 10.204 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.898 8.761 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.901 7.318 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.626 7.413 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.063 8.022 3.576 1.00 0.00 H new ATOM 594 N ALA A 46 7.664 7.747 0.100 1.00 0.00 N ATOM 595 CA ALA A 46 7.837 7.185 -1.229 1.00 0.00 C ATOM 596 C ALA A 46 6.888 5.996 -1.404 1.00 0.00 C ATOM 597 O ALA A 46 6.587 5.293 -0.441 1.00 0.00 O ATOM 598 CB ALA A 46 9.302 6.795 -1.433 1.00 0.00 C ATOM 0 H ALA A 46 7.838 7.095 0.865 1.00 0.00 H new ATOM 0 HA ALA A 46 7.587 7.922 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.431 6.374 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.932 7.679 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.589 6.055 -0.686 1.00 0.00 H new ATOM 604 N CYS A 47 6.446 5.809 -2.638 1.00 0.00 N ATOM 605 CA CYS A 47 5.540 4.718 -2.950 1.00 0.00 C ATOM 606 C CYS A 47 6.252 3.761 -3.907 1.00 0.00 C ATOM 607 O CYS A 47 7.149 4.166 -4.644 1.00 0.00 O ATOM 608 CB CYS A 47 4.220 5.228 -3.532 1.00 0.00 C ATOM 609 SG CYS A 47 3.476 6.637 -2.629 1.00 0.00 S ATOM 0 H CYS A 47 6.699 6.395 -3.434 1.00 0.00 H new ATOM 0 HA CYS A 47 5.278 4.187 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.386 5.525 -4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.504 4.406 -3.548 1.00 0.00 H new ATOM 614 N ASN A 48 5.825 2.505 -3.865 1.00 0.00 N ATOM 615 CA ASN A 48 6.411 1.487 -4.719 1.00 0.00 C ATOM 616 C ASN A 48 5.768 1.558 -6.106 1.00 0.00 C ATOM 617 O ASN A 48 4.805 2.297 -6.311 1.00 0.00 O ATOM 618 CB ASN A 48 6.163 0.088 -4.155 1.00 0.00 C ATOM 619 CG ASN A 48 6.028 0.125 -2.631 1.00 0.00 C ATOM 620 OD1 ASN A 48 6.796 1.039 -2.043 1.00 0.00 O flip ATOM 621 ND2 ASN A 48 5.276 -0.624 -2.030 1.00 0.00 N flip ATOM 0 H ASN A 48 5.081 2.171 -3.253 1.00 0.00 H new ATOM 0 HA ASN A 48 7.484 1.670 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.256 -0.329 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.985 -0.571 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.714 -1.303 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.209 -0.571 -1.014 1.00 0.00 H new ATOM 628 N PRO A 49 6.339 0.759 -7.046 1.00 0.00 N ATOM 629 CA PRO A 49 5.832 0.725 -8.407 1.00 0.00 C ATOM 630 C PRO A 49 4.523 -0.062 -8.485 1.00 0.00 C ATOM 631 O PRO A 49 3.832 -0.024 -9.502 1.00 0.00 O ATOM 632 CB PRO A 49 6.950 0.102 -9.228 1.00 0.00 C ATOM 633 CG PRO A 49 7.850 -0.612 -8.232 1.00 0.00 C ATOM 634 CD PRO A 49 7.479 -0.128 -6.839 1.00 0.00 C ATOM 0 HA PRO A 49 5.581 1.715 -8.787 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.552 -0.596 -9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.503 0.864 -9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.722 -1.692 -8.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.898 -0.399 -8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.219 -0.961 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.310 0.398 -6.368 1.00 0.00 H new ATOM 642 N ALA A 50 4.221 -0.757 -7.397 1.00 0.00 N ATOM 643 CA ALA A 50 3.009 -1.551 -7.328 1.00 0.00 C ATOM 644 C ALA A 50 2.000 -0.857 -6.410 1.00 0.00 C ATOM 645 O ALA A 50 1.057 -1.485 -5.932 1.00 0.00 O ATOM 646 CB ALA A 50 3.349 -2.965 -6.855 1.00 0.00 C ATOM 0 H ALA A 50 4.797 -0.785 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 50 2.553 -1.638 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.437 -3.560 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.044 -3.426 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.808 -2.918 -5.867 1.00 0.00 H new ATOM 652 N ASP A 51 2.232 0.428 -6.195 1.00 0.00 N ATOM 653 CA ASP A 51 1.355 1.214 -5.343 1.00 0.00 C ATOM 654 C ASP A 51 0.200 1.770 -6.180 1.00 0.00 C ATOM 655 O ASP A 51 -0.591 2.575 -5.692 1.00 0.00 O ATOM 656 CB ASP A 51 2.104 2.399 -4.727 1.00 0.00 C ATOM 657 CG ASP A 51 1.222 3.583 -4.326 1.00 0.00 C ATOM 658 OD1 ASP A 51 0.694 3.542 -3.194 1.00 0.00 O ATOM 659 OD2 ASP A 51 1.095 4.504 -5.162 1.00 0.00 O ATOM 0 H ASP A 51 3.014 0.946 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 51 0.987 0.565 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.642 2.051 -3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.852 2.747 -5.440 1.00 0.00 H new ATOM 665 N PHE A 52 0.143 1.319 -7.424 1.00 0.00 N ATOM 666 CA PHE A 52 -0.900 1.760 -8.333 1.00 0.00 C ATOM 667 C PHE A 52 -1.912 0.640 -8.591 1.00 0.00 C ATOM 668 O PHE A 52 -1.648 -0.271 -9.373 1.00 0.00 O ATOM 669 CB PHE A 52 -0.217 2.129 -9.652 1.00 0.00 C ATOM 670 CG PHE A 52 1.236 2.582 -9.496 1.00 0.00 C ATOM 671 CD1 PHE A 52 1.555 3.540 -8.587 1.00 0.00 C ATOM 672 CD2 PHE A 52 2.208 2.026 -10.269 1.00 0.00 C ATOM 673 CE1 PHE A 52 2.902 3.962 -8.443 1.00 0.00 C ATOM 674 CE2 PHE A 52 3.556 2.447 -10.122 1.00 0.00 C ATOM 675 CZ PHE A 52 3.875 3.405 -9.212 1.00 0.00 C ATOM 0 H PHE A 52 0.803 0.652 -7.824 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.436 2.606 -7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.248 1.267 -10.319 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.785 2.925 -10.133 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.783 3.981 -7.974 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.955 1.266 -10.993 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.154 4.726 -7.722 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.329 2.006 -10.734 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.901 3.724 -9.100 1.00 0.00 H new ATOM 685 N SER A 53 -3.048 0.748 -7.919 1.00 0.00 N ATOM 686 CA SER A 53 -4.100 -0.244 -8.065 1.00 0.00 C ATOM 687 C SER A 53 -5.465 0.401 -7.813 1.00 0.00 C ATOM 688 O SER A 53 -6.022 0.279 -6.722 1.00 0.00 O ATOM 689 CB SER A 53 -3.885 -1.420 -7.112 1.00 0.00 C ATOM 690 OG SER A 53 -4.804 -2.482 -7.358 1.00 0.00 O ATOM 0 H SER A 53 -3.263 1.507 -7.272 1.00 0.00 H new ATOM 0 HA SER A 53 -4.069 -0.628 -9.085 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.866 -1.791 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.994 -1.077 -6.083 1.00 0.00 H new ATOM 0 HG SER A 53 -5.225 -2.752 -6.515 1.00 0.00 H new ATOM 696 N SER A 54 -5.964 1.073 -8.840 1.00 0.00 N ATOM 697 CA SER A 54 -7.254 1.738 -8.742 1.00 0.00 C ATOM 698 C SER A 54 -8.297 0.774 -8.176 1.00 0.00 C ATOM 699 O SER A 54 -8.442 -0.347 -8.663 1.00 0.00 O ATOM 700 CB SER A 54 -7.705 2.265 -10.107 1.00 0.00 C ATOM 701 OG SER A 54 -8.223 1.228 -10.935 1.00 0.00 O ATOM 0 H SER A 54 -5.500 1.172 -9.743 1.00 0.00 H new ATOM 0 HA SER A 54 -7.151 2.589 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.467 3.031 -9.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.863 2.742 -10.608 1.00 0.00 H new ATOM 0 HG SER A 54 -8.501 1.605 -11.796 1.00 0.00 H new ATOM 707 N VAL A 55 -8.997 1.243 -7.153 1.00 0.00 N ATOM 708 CA VAL A 55 -10.023 0.439 -6.513 1.00 0.00 C ATOM 709 C VAL A 55 -11.104 1.358 -5.943 1.00 0.00 C ATOM 710 O VAL A 55 -10.867 2.547 -5.733 1.00 0.00 O ATOM 711 CB VAL A 55 -9.392 -0.472 -5.458 1.00 0.00 C ATOM 712 CG1 VAL A 55 -9.537 0.128 -4.058 1.00 0.00 C ATOM 713 CG2 VAL A 55 -9.991 -1.880 -5.516 1.00 0.00 C ATOM 0 H VAL A 55 -8.873 2.172 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.505 -0.215 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.328 -0.553 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.080 -0.539 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.040 1.098 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.594 0.254 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.524 -2.506 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.064 -1.827 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.812 -2.311 -6.501 1.00 0.00 H new ATOM 723 N THR A 56 -12.267 0.771 -5.704 1.00 0.00 N ATOM 724 CA THR A 56 -13.386 1.522 -5.161 1.00 0.00 C ATOM 725 C THR A 56 -14.077 0.723 -4.052 1.00 0.00 C ATOM 726 O THR A 56 -14.129 -0.505 -4.107 1.00 0.00 O ATOM 727 CB THR A 56 -14.319 1.885 -6.316 1.00 0.00 C ATOM 728 OG1 THR A 56 -14.528 3.289 -6.169 1.00 0.00 O ATOM 729 CG2 THR A 56 -15.716 1.282 -6.157 1.00 0.00 C ATOM 0 H THR A 56 -12.459 -0.216 -5.876 1.00 0.00 H new ATOM 0 HA THR A 56 -13.049 2.447 -4.693 1.00 0.00 H new ATOM 0 HB THR A 56 -13.881 1.542 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.827 3.481 -5.256 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.336 1.572 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.641 0.195 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.168 1.648 -5.235 1.00 0.00 H new ATOM 737 N ALA A 57 -14.591 1.453 -3.074 1.00 0.00 N ATOM 738 CA ALA A 57 -15.276 0.828 -1.956 1.00 0.00 C ATOM 739 C ALA A 57 -16.781 1.080 -2.078 1.00 0.00 C ATOM 740 O ALA A 57 -17.199 2.135 -2.552 1.00 0.00 O ATOM 741 CB ALA A 57 -14.700 1.362 -0.641 1.00 0.00 C ATOM 0 H ALA A 57 -14.547 2.471 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.121 -0.251 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.214 0.893 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.636 1.131 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.840 2.442 -0.595 1.00 0.00 H new ATOM 747 N ASP A 58 -17.551 0.093 -1.644 1.00 0.00 N ATOM 748 CA ASP A 58 -18.999 0.194 -1.698 1.00 0.00 C ATOM 749 C ASP A 58 -19.475 1.213 -0.660 1.00 0.00 C ATOM 750 O ASP A 58 -18.772 1.486 0.313 1.00 0.00 O ATOM 751 CB ASP A 58 -19.658 -1.149 -1.381 1.00 0.00 C ATOM 752 CG ASP A 58 -18.827 -2.379 -1.751 1.00 0.00 C ATOM 753 OD1 ASP A 58 -19.185 -3.473 -1.267 1.00 0.00 O ATOM 754 OD2 ASP A 58 -17.852 -2.199 -2.512 1.00 0.00 O ATOM 0 H ASP A 58 -17.199 -0.781 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.277 0.502 -2.706 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.879 -1.186 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.612 -1.202 -1.906 1.00 0.00 H new ATOM 760 N ALA A 59 -20.663 1.744 -0.902 1.00 0.00 N ATOM 761 CA ALA A 59 -21.242 2.725 0.002 1.00 0.00 C ATOM 762 C ALA A 59 -21.017 2.277 1.447 1.00 0.00 C ATOM 763 O ALA A 59 -20.966 3.103 2.357 1.00 0.00 O ATOM 764 CB ALA A 59 -22.724 2.910 -0.326 1.00 0.00 C ATOM 0 H ALA A 59 -21.241 1.515 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.757 3.693 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.158 3.645 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.829 3.258 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.244 1.959 -0.210 1.00 0.00 H new ATOM 770 N ASN A 60 -20.885 0.968 1.614 1.00 0.00 N ATOM 771 CA ASN A 60 -20.665 0.400 2.933 1.00 0.00 C ATOM 772 C ASN A 60 -19.168 0.389 3.235 1.00 0.00 C ATOM 773 O ASN A 60 -18.669 -0.523 3.894 1.00 0.00 O ATOM 774 CB ASN A 60 -21.174 -1.041 3.003 1.00 0.00 C ATOM 775 CG ASN A 60 -21.421 -1.465 4.453 1.00 0.00 C ATOM 776 OD1 ASN A 60 -20.711 -1.085 5.368 1.00 0.00 O ATOM 777 ND2 ASN A 60 -22.469 -2.270 4.608 1.00 0.00 N ATOM 0 H ASN A 60 -20.926 0.285 0.857 1.00 0.00 H new ATOM 0 HA ASN A 60 -21.206 1.009 3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.097 -1.133 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -20.447 -1.710 2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.720 -2.607 5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -23.022 -2.550 3.798 1.00 0.00 H new ATOM 784 N GLY A 61 -18.486 1.413 2.740 1.00 0.00 N ATOM 785 CA GLY A 61 -17.054 1.532 2.948 1.00 0.00 C ATOM 786 C GLY A 61 -16.360 0.180 2.775 1.00 0.00 C ATOM 787 O GLY A 61 -15.399 -0.125 3.479 1.00 0.00 O ATOM 0 H GLY A 61 -18.901 2.168 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.639 2.251 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.859 1.919 3.948 1.00 0.00 H new ATOM 791 N SER A 62 -16.874 -0.597 1.832 1.00 0.00 N ATOM 792 CA SER A 62 -16.318 -1.910 1.556 1.00 0.00 C ATOM 793 C SER A 62 -15.369 -1.834 0.360 1.00 0.00 C ATOM 794 O SER A 62 -15.806 -1.885 -0.788 1.00 0.00 O ATOM 795 CB SER A 62 -17.422 -2.934 1.296 1.00 0.00 C ATOM 796 OG SER A 62 -18.565 -2.709 2.116 1.00 0.00 O ATOM 0 H SER A 62 -17.671 -0.341 1.249 1.00 0.00 H new ATOM 0 HA SER A 62 -15.760 -2.237 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.715 -2.892 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.036 -3.937 1.480 1.00 0.00 H new ATOM 0 HG SER A 62 -18.373 -1.991 2.754 1.00 0.00 H new ATOM 802 N ALA A 63 -14.085 -1.714 0.668 1.00 0.00 N ATOM 803 CA ALA A 63 -13.070 -1.633 -0.367 1.00 0.00 C ATOM 804 C ALA A 63 -12.473 -3.021 -0.603 1.00 0.00 C ATOM 805 O ALA A 63 -11.480 -3.387 0.025 1.00 0.00 O ATOM 806 CB ALA A 63 -12.012 -0.602 0.033 1.00 0.00 C ATOM 0 H ALA A 63 -13.725 -1.671 1.621 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.509 -1.301 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.250 -0.542 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.483 0.373 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.548 -0.902 0.973 1.00 0.00 H new ATOM 812 N SER A 64 -13.102 -3.755 -1.508 1.00 0.00 N ATOM 813 CA SER A 64 -12.644 -5.095 -1.833 1.00 0.00 C ATOM 814 C SER A 64 -11.600 -5.037 -2.949 1.00 0.00 C ATOM 815 O SER A 64 -11.921 -5.252 -4.117 1.00 0.00 O ATOM 816 CB SER A 64 -13.812 -5.991 -2.248 1.00 0.00 C ATOM 817 OG SER A 64 -14.533 -5.453 -3.354 1.00 0.00 O ATOM 0 H SER A 64 -13.925 -3.448 -2.027 1.00 0.00 H new ATOM 0 HA SER A 64 -12.189 -5.525 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.435 -6.980 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.488 -6.119 -1.403 1.00 0.00 H new ATOM 0 HG SER A 64 -13.910 -5.246 -4.081 1.00 0.00 H new ATOM 823 N THR A 65 -10.371 -4.742 -2.549 1.00 0.00 N ATOM 824 CA THR A 65 -9.276 -4.650 -3.503 1.00 0.00 C ATOM 825 C THR A 65 -8.360 -5.871 -3.380 1.00 0.00 C ATOM 826 O THR A 65 -8.491 -6.657 -2.443 1.00 0.00 O ATOM 827 CB THR A 65 -8.554 -3.323 -3.266 1.00 0.00 C ATOM 828 OG1 THR A 65 -7.523 -3.307 -4.249 1.00 0.00 O ATOM 829 CG2 THR A 65 -7.799 -3.295 -1.935 1.00 0.00 C ATOM 0 H THR A 65 -10.109 -4.564 -1.579 1.00 0.00 H new ATOM 0 HA THR A 65 -9.642 -4.658 -4.530 1.00 0.00 H new ATOM 0 HB THR A 65 -9.278 -2.508 -3.290 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.652 -3.412 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.305 -2.331 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.501 -3.445 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.052 -4.089 -1.923 1.00 0.00 H new ATOM 837 N SER A 66 -7.456 -5.988 -4.342 1.00 0.00 N ATOM 838 CA SER A 66 -6.520 -7.101 -4.354 1.00 0.00 C ATOM 839 C SER A 66 -5.217 -6.677 -5.036 1.00 0.00 C ATOM 840 O SER A 66 -5.236 -5.911 -5.997 1.00 0.00 O ATOM 841 CB SER A 66 -7.118 -8.317 -5.061 1.00 0.00 C ATOM 842 OG SER A 66 -7.426 -8.045 -6.426 1.00 0.00 O ATOM 0 H SER A 66 -7.351 -5.333 -5.117 1.00 0.00 H new ATOM 0 HA SER A 66 -6.310 -7.384 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.416 -9.149 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.023 -8.630 -4.541 1.00 0.00 H new ATOM 0 HG SER A 66 -7.804 -8.848 -6.842 1.00 0.00 H new ATOM 848 N LEU A 67 -4.117 -7.198 -4.512 1.00 0.00 N ATOM 849 CA LEU A 67 -2.806 -6.885 -5.059 1.00 0.00 C ATOM 850 C LEU A 67 -1.777 -7.867 -4.496 1.00 0.00 C ATOM 851 O LEU A 67 -2.107 -8.707 -3.663 1.00 0.00 O ATOM 852 CB LEU A 67 -2.458 -5.417 -4.806 1.00 0.00 C ATOM 853 CG LEU A 67 -1.733 -4.695 -5.943 1.00 0.00 C ATOM 854 CD1 LEU A 67 -2.610 -4.621 -7.194 1.00 0.00 C ATOM 855 CD2 LEU A 67 -1.253 -3.310 -5.496 1.00 0.00 C ATOM 0 H LEU A 67 -4.106 -7.834 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.805 -7.007 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.380 -4.878 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.837 -5.360 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.848 -5.274 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.070 -4.103 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.859 -5.630 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.527 -4.078 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.741 -2.818 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.110 -2.709 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.567 -3.416 -4.656 1.00 0.00 H new ATOM 867 N THR A 68 -0.551 -7.727 -4.980 1.00 0.00 N ATOM 868 CA THR A 68 0.530 -8.591 -4.535 1.00 0.00 C ATOM 869 C THR A 68 1.506 -7.814 -3.652 1.00 0.00 C ATOM 870 O THR A 68 1.769 -6.637 -3.896 1.00 0.00 O ATOM 871 CB THR A 68 1.186 -9.202 -5.774 1.00 0.00 C ATOM 872 OG1 THR A 68 0.216 -10.123 -6.265 1.00 0.00 O ATOM 873 CG2 THR A 68 2.390 -10.079 -5.430 1.00 0.00 C ATOM 0 H THR A 68 -0.283 -7.030 -5.674 1.00 0.00 H new ATOM 0 HA THR A 68 0.156 -9.404 -3.913 1.00 0.00 H new ATOM 0 HB THR A 68 1.500 -8.403 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.078 -9.844 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.817 -10.487 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.141 -9.480 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.072 -10.896 -4.783 1.00 0.00 H new ATOM 881 N VAL A 69 2.020 -8.503 -2.642 1.00 0.00 N ATOM 882 CA VAL A 69 2.961 -7.892 -1.721 1.00 0.00 C ATOM 883 C VAL A 69 4.382 -8.063 -2.261 1.00 0.00 C ATOM 884 O VAL A 69 5.073 -9.018 -1.912 1.00 0.00 O ATOM 885 CB VAL A 69 2.780 -8.479 -0.320 1.00 0.00 C ATOM 886 CG1 VAL A 69 3.563 -7.674 0.719 1.00 0.00 C ATOM 887 CG2 VAL A 69 1.298 -8.559 0.052 1.00 0.00 C ATOM 0 H VAL A 69 1.801 -9.479 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 69 2.771 -6.822 -1.637 1.00 0.00 H new ATOM 0 HB VAL A 69 3.180 -9.493 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.416 -8.113 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.624 -7.691 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.208 -6.644 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.196 -8.980 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.864 -7.560 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.777 -9.195 -0.664 1.00 0.00 H new ATOM 897 N ARG A 70 4.777 -7.123 -3.107 1.00 0.00 N ATOM 898 CA ARG A 70 6.103 -7.160 -3.701 1.00 0.00 C ATOM 899 C ARG A 70 7.113 -6.464 -2.785 1.00 0.00 C ATOM 900 O ARG A 70 7.586 -5.371 -3.095 1.00 0.00 O ATOM 901 CB ARG A 70 6.113 -6.476 -5.071 1.00 0.00 C ATOM 902 CG ARG A 70 5.431 -7.352 -6.124 1.00 0.00 C ATOM 903 CD ARG A 70 6.464 -8.128 -6.942 1.00 0.00 C ATOM 904 NE ARG A 70 6.116 -8.075 -8.380 1.00 0.00 N ATOM 905 CZ ARG A 70 6.578 -8.935 -9.296 1.00 0.00 C ATOM 906 NH1 ARG A 70 7.411 -9.920 -8.933 1.00 0.00 N ATOM 907 NH2 ARG A 70 6.208 -8.810 -10.580 1.00 0.00 N ATOM 0 H ARG A 70 4.202 -6.331 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 70 6.381 -8.206 -3.828 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.603 -5.515 -5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.140 -6.272 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.749 -8.049 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.830 -6.729 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.456 -7.706 -6.784 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.501 -9.164 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 70 5.485 -7.337 -8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.694 -10.015 -7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.762 -10.575 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.575 -8.060 -10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.560 -9.465 -11.278 1.00 0.00 H new ATOM 921 N ARG A 71 7.412 -7.125 -1.677 1.00 0.00 N ATOM 922 CA ARG A 71 8.357 -6.584 -0.714 1.00 0.00 C ATOM 923 C ARG A 71 9.479 -5.835 -1.434 1.00 0.00 C ATOM 924 O ARG A 71 9.946 -4.802 -0.957 1.00 0.00 O ATOM 925 CB ARG A 71 8.965 -7.696 0.143 1.00 0.00 C ATOM 926 CG ARG A 71 10.047 -7.141 1.073 1.00 0.00 C ATOM 927 CD ARG A 71 11.410 -7.759 0.758 1.00 0.00 C ATOM 928 NE ARG A 71 11.354 -9.226 0.934 1.00 0.00 N ATOM 929 CZ ARG A 71 11.580 -9.854 2.094 1.00 0.00 C ATOM 930 NH1 ARG A 71 11.882 -9.145 3.191 1.00 0.00 N ATOM 931 NH2 ARG A 71 11.506 -11.189 2.161 1.00 0.00 N ATOM 0 H ARG A 71 7.017 -8.031 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 71 7.814 -5.896 -0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.183 -8.174 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.393 -8.464 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.102 -6.058 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.781 -7.347 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.700 -7.518 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 71 12.171 -7.335 1.413 1.00 0.00 H new ATOM 0 HE ARG A 71 11.129 -9.796 0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.939 -8.128 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.054 -9.623 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.277 -11.730 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.679 -11.666 3.046 1.00 0.00 H new ATOM 945 N SER A 72 9.876 -6.381 -2.574 1.00 0.00 N ATOM 946 CA SER A 72 10.934 -5.776 -3.366 1.00 0.00 C ATOM 947 C SER A 72 10.336 -5.060 -4.578 1.00 0.00 C ATOM 948 O SER A 72 9.466 -5.603 -5.258 1.00 0.00 O ATOM 949 CB SER A 72 11.951 -6.824 -3.818 1.00 0.00 C ATOM 950 OG SER A 72 11.376 -7.781 -4.704 1.00 0.00 O ATOM 0 H SER A 72 9.484 -7.236 -2.968 1.00 0.00 H new ATOM 0 HA SER A 72 11.455 -5.049 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.786 -6.328 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.356 -7.336 -2.945 1.00 0.00 H new ATOM 0 HG SER A 72 12.059 -8.432 -4.971 1.00 0.00 H new ATOM 956 N PHE A 73 10.826 -3.852 -4.813 1.00 0.00 N ATOM 957 CA PHE A 73 10.350 -3.055 -5.933 1.00 0.00 C ATOM 958 C PHE A 73 10.736 -1.585 -5.762 1.00 0.00 C ATOM 959 O PHE A 73 10.334 -0.943 -4.792 1.00 0.00 O ATOM 960 CB PHE A 73 8.825 -3.173 -5.948 1.00 0.00 C ATOM 961 CG PHE A 73 8.178 -3.075 -4.564 1.00 0.00 C ATOM 962 CD1 PHE A 73 8.926 -2.703 -3.491 1.00 0.00 C ATOM 963 CD2 PHE A 73 6.857 -3.358 -4.410 1.00 0.00 C ATOM 964 CE1 PHE A 73 8.325 -2.614 -2.205 1.00 0.00 C ATOM 965 CE2 PHE A 73 6.257 -3.267 -3.127 1.00 0.00 C ATOM 966 CZ PHE A 73 7.004 -2.897 -2.051 1.00 0.00 C ATOM 0 H PHE A 73 11.548 -3.405 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 73 10.795 -3.413 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.417 -2.388 -6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.549 -4.126 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.974 -2.476 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.264 -3.652 -5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.918 -2.322 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.208 -3.491 -3.004 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.547 -2.828 -1.075 1.00 0.00 H new ATOM 976 N GLU A 74 11.508 -1.094 -6.718 1.00 0.00 N ATOM 977 CA GLU A 74 11.950 0.288 -6.687 1.00 0.00 C ATOM 978 C GLU A 74 10.823 1.219 -7.142 1.00 0.00 C ATOM 979 O GLU A 74 10.384 1.153 -8.289 1.00 0.00 O ATOM 980 CB GLU A 74 13.203 0.485 -7.545 1.00 0.00 C ATOM 981 CG GLU A 74 13.685 1.935 -7.489 1.00 0.00 C ATOM 982 CD GLU A 74 14.748 2.201 -8.558 1.00 0.00 C ATOM 983 OE1 GLU A 74 15.934 1.959 -8.252 1.00 0.00 O ATOM 984 OE2 GLU A 74 14.348 2.641 -9.658 1.00 0.00 O ATOM 0 H GLU A 74 11.839 -1.630 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 74 12.210 0.540 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.994 -0.178 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.988 0.209 -8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.841 2.609 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.095 2.148 -6.502 1.00 0.00 H new ATOM 992 N GLY A 75 10.387 2.063 -6.218 1.00 0.00 N ATOM 993 CA GLY A 75 9.318 3.003 -6.510 1.00 0.00 C ATOM 994 C GLY A 75 9.869 4.422 -6.681 1.00 0.00 C ATOM 995 O GLY A 75 10.985 4.604 -7.165 1.00 0.00 O ATOM 0 H GLY A 75 10.754 2.115 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.799 2.698 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.585 2.988 -5.704 1.00 0.00 H new ATOM 999 N PHE A 76 9.061 5.389 -6.273 1.00 0.00 N ATOM 1000 CA PHE A 76 9.452 6.784 -6.374 1.00 0.00 C ATOM 1001 C PHE A 76 9.240 7.512 -5.045 1.00 0.00 C ATOM 1002 O PHE A 76 8.373 7.135 -4.260 1.00 0.00 O ATOM 1003 CB PHE A 76 8.559 7.422 -7.440 1.00 0.00 C ATOM 1004 CG PHE A 76 7.254 8.001 -6.891 1.00 0.00 C ATOM 1005 CD1 PHE A 76 6.216 7.173 -6.593 1.00 0.00 C ATOM 1006 CD2 PHE A 76 7.130 9.343 -6.706 1.00 0.00 C ATOM 1007 CE1 PHE A 76 5.005 7.711 -6.084 1.00 0.00 C ATOM 1008 CE2 PHE A 76 5.917 9.880 -6.196 1.00 0.00 C ATOM 1009 CZ PHE A 76 4.880 9.053 -5.897 1.00 0.00 C ATOM 0 H PHE A 76 8.136 5.234 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 76 10.509 6.856 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.116 8.216 -7.938 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.323 6.674 -8.197 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.313 6.108 -6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.953 10.000 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.182 7.054 -5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.819 10.945 -6.046 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.957 9.461 -5.511 1.00 0.00 H new ATOM 1019 N LEU A 77 10.048 8.541 -4.835 1.00 0.00 N ATOM 1020 CA LEU A 77 9.960 9.323 -3.614 1.00 0.00 C ATOM 1021 C LEU A 77 8.970 10.472 -3.822 1.00 0.00 C ATOM 1022 O LEU A 77 8.476 10.678 -4.929 1.00 0.00 O ATOM 1023 CB LEU A 77 11.351 9.781 -3.169 1.00 0.00 C ATOM 1024 CG LEU A 77 12.342 8.672 -2.817 1.00 0.00 C ATOM 1025 CD1 LEU A 77 13.621 8.792 -3.651 1.00 0.00 C ATOM 1026 CD2 LEU A 77 12.636 8.654 -1.317 1.00 0.00 C ATOM 0 H LEU A 77 10.766 8.851 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 77 9.575 8.713 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.783 10.388 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.237 10.429 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 77 11.884 7.715 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.308 7.991 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.373 8.715 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.093 9.755 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.344 7.855 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 77 13.063 9.611 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.711 8.482 -0.767 1.00 0.00 H new ATOM 1038 N PHE A 78 8.713 11.191 -2.737 1.00 0.00 N ATOM 1039 CA PHE A 78 7.791 12.315 -2.788 1.00 0.00 C ATOM 1040 C PHE A 78 8.308 13.407 -3.727 1.00 0.00 C ATOM 1041 O PHE A 78 7.531 14.213 -4.233 1.00 0.00 O ATOM 1042 CB PHE A 78 7.702 12.879 -1.368 1.00 0.00 C ATOM 1043 CG PHE A 78 6.938 14.203 -1.275 1.00 0.00 C ATOM 1044 CD1 PHE A 78 5.589 14.198 -1.105 1.00 0.00 C ATOM 1045 CD2 PHE A 78 7.607 15.382 -1.360 1.00 0.00 C ATOM 1046 CE1 PHE A 78 4.880 15.425 -1.018 1.00 0.00 C ATOM 1047 CE2 PHE A 78 6.899 16.610 -1.272 1.00 0.00 C ATOM 1048 CZ PHE A 78 5.550 16.604 -1.103 1.00 0.00 C ATOM 0 H PHE A 78 9.126 11.018 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 78 6.820 11.986 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.217 12.144 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.711 13.024 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.057 13.261 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.679 15.386 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.808 15.421 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.431 17.547 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.010 17.537 -1.036 1.00 0.00 H new ATOM 1058 N ASP A 79 9.617 13.395 -3.932 1.00 0.00 N ATOM 1059 CA ASP A 79 10.246 14.375 -4.803 1.00 0.00 C ATOM 1060 C ASP A 79 10.045 13.957 -6.260 1.00 0.00 C ATOM 1061 O ASP A 79 9.489 14.717 -7.056 1.00 0.00 O ATOM 1062 CB ASP A 79 11.750 14.459 -4.538 1.00 0.00 C ATOM 1063 CG ASP A 79 12.446 15.679 -5.144 1.00 0.00 C ATOM 1064 OD1 ASP A 79 13.382 16.185 -4.489 1.00 0.00 O ATOM 1065 OD2 ASP A 79 12.026 16.079 -6.253 1.00 0.00 O ATOM 0 H ASP A 79 10.259 12.723 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 79 9.790 15.345 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.914 14.464 -3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.223 13.558 -4.928 1.00 0.00 H new ATOM 1071 N GLY A 80 10.508 12.755 -6.569 1.00 0.00 N ATOM 1072 CA GLY A 80 10.386 12.229 -7.919 1.00 0.00 C ATOM 1073 C GLY A 80 11.377 11.089 -8.154 1.00 0.00 C ATOM 1074 O GLY A 80 11.149 10.228 -9.004 1.00 0.00 O ATOM 0 H GLY A 80 10.969 12.130 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.369 11.872 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.565 13.026 -8.641 1.00 0.00 H new ATOM 1078 N THR A 81 12.459 11.118 -7.385 1.00 0.00 N ATOM 1079 CA THR A 81 13.484 10.096 -7.499 1.00 0.00 C ATOM 1080 C THR A 81 12.853 8.703 -7.523 1.00 0.00 C ATOM 1081 O THR A 81 11.978 8.403 -6.713 1.00 0.00 O ATOM 1082 CB THR A 81 14.478 10.295 -6.353 1.00 0.00 C ATOM 1083 OG1 THR A 81 15.284 11.391 -6.778 1.00 0.00 O ATOM 1084 CG2 THR A 81 15.466 9.135 -6.228 1.00 0.00 C ATOM 0 H THR A 81 12.646 11.833 -6.682 1.00 0.00 H new ATOM 0 HA THR A 81 14.027 10.185 -8.440 1.00 0.00 H new ATOM 0 HB THR A 81 13.933 10.411 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.955 11.589 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.149 9.326 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.920 8.210 -6.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.035 9.040 -7.153 1.00 0.00 H new ATOM 1092 N ARG A 82 13.321 7.892 -8.459 1.00 0.00 N ATOM 1093 CA ARG A 82 12.812 6.538 -8.596 1.00 0.00 C ATOM 1094 C ARG A 82 13.461 5.618 -7.560 1.00 0.00 C ATOM 1095 O ARG A 82 14.345 4.830 -7.892 1.00 0.00 O ATOM 1096 CB ARG A 82 13.083 5.986 -9.998 1.00 0.00 C ATOM 1097 CG ARG A 82 11.927 5.110 -10.477 1.00 0.00 C ATOM 1098 CD ARG A 82 11.876 5.055 -12.006 1.00 0.00 C ATOM 1099 NE ARG A 82 11.352 3.744 -12.448 1.00 0.00 N ATOM 1100 CZ ARG A 82 11.360 3.323 -13.720 1.00 0.00 C ATOM 1101 NH1 ARG A 82 11.863 4.107 -14.682 1.00 0.00 N ATOM 1102 NH2 ARG A 82 10.865 2.116 -14.031 1.00 0.00 N ATOM 0 H ARG A 82 14.047 8.146 -9.130 1.00 0.00 H new ATOM 0 HA ARG A 82 11.735 6.572 -8.433 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.231 6.811 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.005 5.405 -9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.040 4.102 -10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.986 5.502 -10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.242 5.856 -12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.873 5.215 -12.417 1.00 0.00 H new ATOM 0 HE ARG A 82 10.960 3.122 -11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.240 5.025 -14.447 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.869 3.786 -15.650 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.482 1.518 -13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.871 1.796 -15.000 1.00 0.00 H new ATOM 1116 N TRP A 83 12.997 5.749 -6.326 1.00 0.00 N ATOM 1117 CA TRP A 83 13.520 4.939 -5.239 1.00 0.00 C ATOM 1118 C TRP A 83 12.424 3.966 -4.805 1.00 0.00 C ATOM 1119 O TRP A 83 12.392 2.819 -5.251 1.00 0.00 O ATOM 1120 CB TRP A 83 14.027 5.820 -4.096 1.00 0.00 C ATOM 1121 CG TRP A 83 14.613 5.036 -2.920 1.00 0.00 C ATOM 1122 CD1 TRP A 83 14.070 4.003 -2.264 1.00 0.00 C ATOM 1123 CD2 TRP A 83 15.890 5.265 -2.285 1.00 0.00 C ATOM 1124 NE1 TRP A 83 14.897 3.551 -1.256 1.00 0.00 N ATOM 1125 CE2 TRP A 83 16.039 4.344 -1.269 1.00 0.00 C ATOM 1126 CE3 TRP A 83 16.883 6.223 -2.560 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 17.170 4.286 -0.446 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 18.008 6.151 -1.729 1.00 0.00 C ATOM 1129 CH2 TRP A 83 18.174 5.229 -0.701 1.00 0.00 C ATOM 0 H TRP A 83 12.264 6.404 -6.055 1.00 0.00 H new ATOM 0 HA TRP A 83 14.385 4.363 -5.567 1.00 0.00 H new ATOM 0 HB2 TRP A 83 14.788 6.498 -4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.205 6.437 -3.734 1.00 0.00 H new ATOM 0 HD1 TRP A 83 13.105 3.577 -2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 83 14.706 2.778 -0.619 1.00 0.00 H new ATOM 0 HE3 TRP A 83 16.786 6.955 -3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 17.263 3.554 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 18.803 6.862 -1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 83 19.073 5.240 -0.102 1.00 0.00 H new ATOM 1140 N GLY A 84 11.551 4.457 -3.937 1.00 0.00 N ATOM 1141 CA GLY A 84 10.456 3.644 -3.435 1.00 0.00 C ATOM 1142 C GLY A 84 10.978 2.362 -2.784 1.00 0.00 C ATOM 1143 O GLY A 84 11.664 1.570 -3.425 1.00 0.00 O ATOM 0 H GLY A 84 11.580 5.408 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.878 4.215 -2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.781 3.392 -4.253 1.00 0.00 H new ATOM 1147 N THR A 85 10.631 2.199 -1.513 1.00 0.00 N ATOM 1148 CA THR A 85 11.056 1.028 -0.768 1.00 0.00 C ATOM 1149 C THR A 85 12.211 0.325 -1.489 1.00 0.00 C ATOM 1150 O THR A 85 13.374 0.523 -1.142 1.00 0.00 O ATOM 1151 CB THR A 85 9.835 0.130 -0.562 1.00 0.00 C ATOM 1152 OG1 THR A 85 8.879 0.984 0.060 1.00 0.00 O ATOM 1153 CG2 THR A 85 10.085 -0.968 0.475 1.00 0.00 C ATOM 0 H THR A 85 10.061 2.859 -0.983 1.00 0.00 H new ATOM 0 HA THR A 85 11.445 1.304 0.212 1.00 0.00 H new ATOM 0 HB THR A 85 9.553 -0.325 -1.512 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.109 1.102 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.188 -1.577 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.913 -1.597 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.333 -0.513 1.434 1.00 0.00 H new ATOM 1161 N VAL A 86 11.846 -0.478 -2.478 1.00 0.00 N ATOM 1162 CA VAL A 86 12.837 -1.210 -3.249 1.00 0.00 C ATOM 1163 C VAL A 86 13.129 -2.545 -2.563 1.00 0.00 C ATOM 1164 O VAL A 86 13.380 -3.549 -3.228 1.00 0.00 O ATOM 1165 CB VAL A 86 14.087 -0.350 -3.444 1.00 0.00 C ATOM 1166 CG1 VAL A 86 15.197 -0.773 -2.479 1.00 0.00 C ATOM 1167 CG2 VAL A 86 14.573 -0.408 -4.894 1.00 0.00 C ATOM 0 H VAL A 86 10.880 -0.638 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 86 12.456 -1.435 -4.245 1.00 0.00 H new ATOM 0 HB VAL A 86 13.821 0.683 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.075 -0.147 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.850 -0.658 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.458 -1.816 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.463 0.212 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.814 -1.438 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.789 -0.039 -5.556 1.00 0.00 H new ATOM 1177 N ASP A 87 13.084 -2.514 -1.239 1.00 0.00 N ATOM 1178 CA ASP A 87 13.341 -3.709 -0.452 1.00 0.00 C ATOM 1179 C ASP A 87 12.748 -3.533 0.946 1.00 0.00 C ATOM 1180 O ASP A 87 13.397 -2.987 1.836 1.00 0.00 O ATOM 1181 CB ASP A 87 14.845 -3.956 -0.300 1.00 0.00 C ATOM 1182 CG ASP A 87 15.258 -5.428 -0.270 1.00 0.00 C ATOM 1183 OD1 ASP A 87 14.343 -6.277 -0.345 1.00 0.00 O ATOM 1184 OD2 ASP A 87 16.479 -5.673 -0.171 1.00 0.00 O ATOM 0 H ASP A 87 12.873 -1.680 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 87 12.886 -4.555 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.364 -3.465 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.185 -3.480 0.620 1.00 0.00 H new ATOM 1190 N CYS A 88 11.520 -4.006 1.096 1.00 0.00 N ATOM 1191 CA CYS A 88 10.830 -3.906 2.371 1.00 0.00 C ATOM 1192 C CYS A 88 11.513 -4.854 3.361 1.00 0.00 C ATOM 1193 O CYS A 88 10.889 -5.788 3.860 1.00 0.00 O ATOM 1194 CB CYS A 88 9.335 -4.206 2.231 1.00 0.00 C ATOM 1195 SG CYS A 88 8.238 -3.118 3.212 1.00 0.00 S ATOM 0 H CYS A 88 10.985 -4.460 0.356 1.00 0.00 H new ATOM 0 HA CYS A 88 10.894 -2.884 2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 88 9.059 -4.124 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.157 -5.240 2.527 1.00 0.00 H new ATOM 1200 N THR A 89 12.783 -4.579 3.613 1.00 0.00 N ATOM 1201 CA THR A 89 13.557 -5.394 4.533 1.00 0.00 C ATOM 1202 C THR A 89 13.763 -4.653 5.857 1.00 0.00 C ATOM 1203 O THR A 89 14.304 -5.215 6.809 1.00 0.00 O ATOM 1204 CB THR A 89 14.866 -5.776 3.840 1.00 0.00 C ATOM 1205 OG1 THR A 89 15.582 -4.547 3.746 1.00 0.00 O ATOM 1206 CG2 THR A 89 14.656 -6.198 2.384 1.00 0.00 C ATOM 0 H THR A 89 13.296 -3.803 3.196 1.00 0.00 H new ATOM 0 HA THR A 89 13.029 -6.312 4.789 1.00 0.00 H new ATOM 0 HB THR A 89 15.343 -6.588 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.445 -4.704 3.310 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.616 -6.459 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.993 -7.062 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.210 -5.374 1.827 1.00 0.00 H new ATOM 1214 N THR A 90 13.322 -3.405 5.875 1.00 0.00 N ATOM 1215 CA THR A 90 13.452 -2.583 7.066 1.00 0.00 C ATOM 1216 C THR A 90 12.310 -1.564 7.139 1.00 0.00 C ATOM 1217 O THR A 90 11.708 -1.378 8.194 1.00 0.00 O ATOM 1218 CB THR A 90 14.838 -1.938 7.046 1.00 0.00 C ATOM 1219 OG1 THR A 90 15.725 -3.012 7.349 1.00 0.00 O ATOM 1220 CG2 THR A 90 15.043 -0.953 8.199 1.00 0.00 C ATOM 0 H THR A 90 12.874 -2.942 5.084 1.00 0.00 H new ATOM 0 HA THR A 90 13.369 -3.184 7.972 1.00 0.00 H new ATOM 0 HB THR A 90 14.984 -1.423 6.097 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.206 -3.822 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.043 -0.524 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.302 -0.157 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.930 -1.476 9.149 1.00 0.00 H new ATOM 1228 N ALA A 91 12.047 -0.937 6.002 1.00 0.00 N ATOM 1229 CA ALA A 91 10.989 0.057 5.923 1.00 0.00 C ATOM 1230 C ALA A 91 9.631 -0.650 5.931 1.00 0.00 C ATOM 1231 O ALA A 91 9.441 -1.646 5.234 1.00 0.00 O ATOM 1232 CB ALA A 91 11.191 0.919 4.677 1.00 0.00 C ATOM 0 H ALA A 91 12.548 -1.098 5.128 1.00 0.00 H new ATOM 0 HA ALA A 91 11.020 0.722 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.398 1.664 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.157 1.421 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.163 0.287 3.789 1.00 0.00 H new ATOM 1238 N ALA A 92 8.723 -0.107 6.727 1.00 0.00 N ATOM 1239 CA ALA A 92 7.388 -0.673 6.834 1.00 0.00 C ATOM 1240 C ALA A 92 6.496 -0.076 5.744 1.00 0.00 C ATOM 1241 O ALA A 92 6.116 1.091 5.818 1.00 0.00 O ATOM 1242 CB ALA A 92 6.839 -0.419 8.240 1.00 0.00 C ATOM 0 H ALA A 92 8.884 0.718 7.304 1.00 0.00 H new ATOM 0 HA ALA A 92 7.415 -1.752 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.838 -0.843 8.322 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.493 -0.887 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.795 0.654 8.425 1.00 0.00 H new ATOM 1248 N CYS A 93 6.192 -0.906 4.756 1.00 0.00 N ATOM 1249 CA CYS A 93 5.352 -0.476 3.651 1.00 0.00 C ATOM 1250 C CYS A 93 3.892 -0.712 4.037 1.00 0.00 C ATOM 1251 O CYS A 93 3.516 -1.825 4.402 1.00 0.00 O ATOM 1252 CB CYS A 93 5.723 -1.188 2.348 1.00 0.00 C ATOM 1253 SG CYS A 93 7.456 -1.771 2.259 1.00 0.00 S ATOM 0 H CYS A 93 6.512 -1.873 4.698 1.00 0.00 H new ATOM 0 HA CYS A 93 5.508 0.586 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.060 -2.043 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.539 -0.510 1.515 1.00 0.00 H new ATOM 1258 N GLN A 94 3.108 0.352 3.943 1.00 0.00 N ATOM 1259 CA GLN A 94 1.696 0.273 4.276 1.00 0.00 C ATOM 1260 C GLN A 94 0.854 0.154 3.004 1.00 0.00 C ATOM 1261 O GLN A 94 0.887 1.040 2.151 1.00 0.00 O ATOM 1262 CB GLN A 94 1.261 1.478 5.111 1.00 0.00 C ATOM 1263 CG GLN A 94 0.875 2.656 4.213 1.00 0.00 C ATOM 1264 CD GLN A 94 0.522 3.889 5.048 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -0.597 4.377 5.039 1.00 0.00 O ATOM 1266 NE2 GLN A 94 1.535 4.364 5.767 1.00 0.00 N ATOM 0 H GLN A 94 3.424 1.274 3.641 1.00 0.00 H new ATOM 0 HA GLN A 94 1.536 -0.621 4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.414 1.203 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.071 1.774 5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.700 2.891 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.025 2.379 3.589 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.446 3.907 5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.401 5.185 6.357 1.00 0.00 H new ATOM 1275 N VAL A 95 0.121 -0.946 2.916 1.00 0.00 N ATOM 1276 CA VAL A 95 -0.726 -1.190 1.763 1.00 0.00 C ATOM 1277 C VAL A 95 -2.111 -0.589 2.014 1.00 0.00 C ATOM 1278 O VAL A 95 -2.789 -0.965 2.969 1.00 0.00 O ATOM 1279 CB VAL A 95 -0.773 -2.689 1.454 1.00 0.00 C ATOM 1280 CG1 VAL A 95 -1.091 -2.936 -0.020 1.00 0.00 C ATOM 1281 CG2 VAL A 95 0.536 -3.370 1.855 1.00 0.00 C ATOM 0 H VAL A 95 0.097 -1.678 3.626 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.315 -0.702 0.879 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.576 -3.129 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.118 -4.009 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.060 -2.500 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.322 -2.476 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.478 -4.434 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.362 -2.924 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.702 -3.238 2.924 1.00 0.00 H new ATOM 1291 N GLY A 96 -2.488 0.334 1.144 1.00 0.00 N ATOM 1292 CA GLY A 96 -3.779 0.991 1.261 1.00 0.00 C ATOM 1293 C GLY A 96 -4.084 1.827 0.017 1.00 0.00 C ATOM 1294 O GLY A 96 -3.242 1.956 -0.869 1.00 0.00 O ATOM 0 H GLY A 96 -1.922 0.644 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.560 0.244 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.787 1.630 2.144 1.00 0.00 H new ATOM 1298 N LEU A 97 -5.289 2.374 -0.008 1.00 0.00 N ATOM 1299 CA LEU A 97 -5.716 3.197 -1.129 1.00 0.00 C ATOM 1300 C LEU A 97 -5.712 4.667 -0.708 1.00 0.00 C ATOM 1301 O LEU A 97 -6.292 5.025 0.315 1.00 0.00 O ATOM 1302 CB LEU A 97 -7.065 2.713 -1.666 1.00 0.00 C ATOM 1303 CG LEU A 97 -8.129 2.395 -0.612 1.00 0.00 C ATOM 1304 CD1 LEU A 97 -9.537 2.573 -1.185 1.00 0.00 C ATOM 1305 CD2 LEU A 97 -7.921 0.996 -0.028 1.00 0.00 C ATOM 0 H LEU A 97 -5.985 2.264 0.730 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.017 3.102 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.462 3.475 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.896 1.818 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.022 3.105 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.275 2.341 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.668 3.604 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.673 1.901 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.690 0.795 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.987 0.256 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.938 0.939 0.440 1.00 0.00 H new ATOM 1317 N SER A 98 -5.051 5.480 -1.521 1.00 0.00 N ATOM 1318 CA SER A 98 -4.965 6.905 -1.245 1.00 0.00 C ATOM 1319 C SER A 98 -6.026 7.658 -2.047 1.00 0.00 C ATOM 1320 O SER A 98 -6.590 7.118 -2.998 1.00 0.00 O ATOM 1321 CB SER A 98 -3.571 7.443 -1.572 1.00 0.00 C ATOM 1322 OG SER A 98 -3.188 7.158 -2.915 1.00 0.00 O ATOM 0 H SER A 98 -4.571 5.180 -2.369 1.00 0.00 H new ATOM 0 HA SER A 98 -5.146 7.060 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.552 8.521 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.844 7.005 -0.888 1.00 0.00 H new ATOM 0 HG SER A 98 -2.293 7.520 -3.084 1.00 0.00 H new ATOM 1328 N ASP A 99 -6.269 8.892 -1.633 1.00 0.00 N ATOM 1329 CA ASP A 99 -7.253 9.726 -2.302 1.00 0.00 C ATOM 1330 C ASP A 99 -6.590 10.453 -3.473 1.00 0.00 C ATOM 1331 O ASP A 99 -5.370 10.601 -3.506 1.00 0.00 O ATOM 1332 CB ASP A 99 -7.819 10.783 -1.350 1.00 0.00 C ATOM 1333 CG ASP A 99 -7.556 10.521 0.135 1.00 0.00 C ATOM 1334 OD1 ASP A 99 -6.378 10.266 0.467 1.00 0.00 O ATOM 1335 OD2 ASP A 99 -8.541 10.580 0.903 1.00 0.00 O ATOM 0 H ASP A 99 -5.801 9.335 -0.842 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.061 9.081 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.395 11.752 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.895 10.853 -1.506 1.00 0.00 H new ATOM 1341 N ALA A 100 -7.423 10.886 -4.407 1.00 0.00 N ATOM 1342 CA ALA A 100 -6.933 11.593 -5.579 1.00 0.00 C ATOM 1343 C ALA A 100 -6.835 13.086 -5.263 1.00 0.00 C ATOM 1344 O ALA A 100 -6.646 13.904 -6.163 1.00 0.00 O ATOM 1345 CB ALA A 100 -7.850 11.309 -6.770 1.00 0.00 C ATOM 0 H ALA A 100 -8.435 10.761 -4.377 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.935 11.245 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.481 11.840 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.863 10.238 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.861 11.647 -6.540 1.00 0.00 H new ATOM 1351 N ALA A 101 -6.969 13.399 -3.982 1.00 0.00 N ATOM 1352 CA ALA A 101 -6.899 14.780 -3.536 1.00 0.00 C ATOM 1353 C ALA A 101 -5.543 15.029 -2.874 1.00 0.00 C ATOM 1354 O ALA A 101 -5.085 16.167 -2.799 1.00 0.00 O ATOM 1355 CB ALA A 101 -8.069 15.074 -2.597 1.00 0.00 C ATOM 0 H ALA A 101 -7.126 12.719 -3.238 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.983 15.461 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.016 16.110 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.009 14.911 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.018 14.411 -1.733 1.00 0.00 H new ATOM 1361 N GLY A 102 -4.938 13.946 -2.410 1.00 0.00 N ATOM 1362 CA GLY A 102 -3.644 14.031 -1.756 1.00 0.00 C ATOM 1363 C GLY A 102 -3.804 14.299 -0.257 1.00 0.00 C ATOM 1364 O GLY A 102 -3.213 15.237 0.274 1.00 0.00 O ATOM 0 H GLY A 102 -5.321 13.003 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.095 13.102 -1.906 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.054 14.827 -2.211 1.00 0.00 H new ATOM 1368 N ASN A 103 -4.604 13.457 0.380 1.00 0.00 N ATOM 1369 CA ASN A 103 -4.849 13.591 1.805 1.00 0.00 C ATOM 1370 C ASN A 103 -4.306 12.358 2.529 1.00 0.00 C ATOM 1371 O ASN A 103 -4.238 11.274 1.952 1.00 0.00 O ATOM 1372 CB ASN A 103 -6.347 13.695 2.101 1.00 0.00 C ATOM 1373 CG ASN A 103 -6.944 14.959 1.479 1.00 0.00 C ATOM 1374 OD1 ASN A 103 -6.332 16.015 1.449 1.00 0.00 O ATOM 1375 ND2 ASN A 103 -8.167 14.793 0.986 1.00 0.00 N ATOM 0 H ASN A 103 -5.091 12.679 -0.065 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.352 14.498 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.860 12.816 1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.508 13.705 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.651 15.577 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.621 13.882 1.045 1.00 0.00 H new ATOM 1382 N GLY A 104 -3.936 12.563 3.786 1.00 0.00 N ATOM 1383 CA GLY A 104 -3.403 11.481 4.594 1.00 0.00 C ATOM 1384 C GLY A 104 -4.062 10.148 4.231 1.00 0.00 C ATOM 1385 O GLY A 104 -5.133 9.822 4.740 1.00 0.00 O ATOM 0 H GLY A 104 -3.995 13.463 4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -2.325 11.410 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.567 11.696 5.650 1.00 0.00 H new ATOM 1389 N PRO A 105 -3.376 9.394 3.331 1.00 0.00 N ATOM 1390 CA PRO A 105 -3.884 8.105 2.893 1.00 0.00 C ATOM 1391 C PRO A 105 -3.692 7.044 3.979 1.00 0.00 C ATOM 1392 O PRO A 105 -2.657 7.010 4.643 1.00 0.00 O ATOM 1393 CB PRO A 105 -3.119 7.795 1.617 1.00 0.00 C ATOM 1394 CG PRO A 105 -1.890 8.689 1.638 1.00 0.00 C ATOM 1395 CD PRO A 105 -2.104 9.748 2.706 1.00 0.00 C ATOM 0 HA PRO A 105 -4.958 8.116 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.836 6.743 1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.731 7.994 0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.996 8.104 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.739 9.154 0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.292 9.747 3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.141 10.747 2.271 1.00 0.00 H new ATOM 1403 N GLU A 106 -4.707 6.204 4.126 1.00 0.00 N ATOM 1404 CA GLU A 106 -4.663 5.145 5.119 1.00 0.00 C ATOM 1405 C GLU A 106 -4.075 3.870 4.510 1.00 0.00 C ATOM 1406 O GLU A 106 -4.340 3.551 3.351 1.00 0.00 O ATOM 1407 CB GLU A 106 -6.053 4.883 5.702 1.00 0.00 C ATOM 1408 CG GLU A 106 -6.155 5.415 7.134 1.00 0.00 C ATOM 1409 CD GLU A 106 -6.630 6.869 7.146 1.00 0.00 C ATOM 1410 OE1 GLU A 106 -7.854 7.067 6.998 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -5.757 7.750 7.303 1.00 0.00 O ATOM 0 H GLU A 106 -5.564 6.236 3.574 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.016 5.466 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.809 5.360 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -6.260 3.813 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.847 4.798 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.184 5.342 7.623 1.00 0.00 H new ATOM 1419 N GLY A 107 -3.288 3.173 5.318 1.00 0.00 N ATOM 1420 CA GLY A 107 -2.662 1.941 4.874 1.00 0.00 C ATOM 1421 C GLY A 107 -2.205 1.098 6.065 1.00 0.00 C ATOM 1422 O GLY A 107 -1.972 1.626 7.152 1.00 0.00 O ATOM 0 H GLY A 107 -3.070 3.440 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -3.365 1.370 4.268 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.807 2.172 4.238 1.00 0.00 H new ATOM 1426 N VAL A 108 -2.090 -0.199 5.822 1.00 0.00 N ATOM 1427 CA VAL A 108 -1.665 -1.122 6.863 1.00 0.00 C ATOM 1428 C VAL A 108 -0.225 -1.558 6.592 1.00 0.00 C ATOM 1429 O VAL A 108 0.080 -2.071 5.517 1.00 0.00 O ATOM 1430 CB VAL A 108 -2.642 -2.297 6.949 1.00 0.00 C ATOM 1431 CG1 VAL A 108 -2.245 -3.412 5.981 1.00 0.00 C ATOM 1432 CG2 VAL A 108 -2.738 -2.825 8.382 1.00 0.00 C ATOM 0 H VAL A 108 -2.283 -0.634 4.920 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.678 -0.634 7.838 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.628 -1.935 6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.956 -4.235 6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.250 -3.027 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.246 -3.770 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.438 -3.659 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.755 -3.162 8.712 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.089 -2.030 9.040 1.00 0.00 H new ATOM 1442 N ALA A 109 0.621 -1.341 7.587 1.00 0.00 N ATOM 1443 CA ALA A 109 2.023 -1.707 7.470 1.00 0.00 C ATOM 1444 C ALA A 109 2.142 -3.229 7.377 1.00 0.00 C ATOM 1445 O ALA A 109 2.199 -3.915 8.394 1.00 0.00 O ATOM 1446 CB ALA A 109 2.801 -1.134 8.656 1.00 0.00 C ATOM 0 H ALA A 109 0.364 -0.917 8.478 1.00 0.00 H new ATOM 0 HA ALA A 109 2.455 -1.286 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.852 -1.408 8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.709 -0.048 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.397 -1.537 9.585 1.00 0.00 H new ATOM 1452 N ILE A 110 2.177 -3.713 6.143 1.00 0.00 N ATOM 1453 CA ILE A 110 2.288 -5.142 5.903 1.00 0.00 C ATOM 1454 C ILE A 110 3.764 -5.516 5.748 1.00 0.00 C ATOM 1455 O ILE A 110 4.541 -4.759 5.165 1.00 0.00 O ATOM 1456 CB ILE A 110 1.419 -5.554 4.711 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.535 -6.750 5.066 1.00 0.00 C ATOM 1458 CG2 ILE A 110 2.281 -5.823 3.474 1.00 0.00 C ATOM 1459 CD1 ILE A 110 -0.412 -6.410 6.219 1.00 0.00 C ATOM 0 H ILE A 110 2.130 -3.141 5.300 1.00 0.00 H new ATOM 0 HA ILE A 110 1.905 -5.703 6.756 1.00 0.00 H new ATOM 0 HB ILE A 110 0.755 -4.725 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.043 -7.051 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.160 -7.599 5.343 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.641 -6.114 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.831 -4.920 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.985 -6.627 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.029 -7.278 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.170 -6.133 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.052 -5.576 5.930 1.00 0.00 H new ATOM 1471 N SER A 111 4.105 -6.679 6.279 1.00 0.00 N ATOM 1472 CA SER A 111 5.474 -7.162 6.207 1.00 0.00 C ATOM 1473 C SER A 111 5.653 -8.370 7.129 1.00 0.00 C ATOM 1474 O SER A 111 6.034 -9.449 6.678 1.00 0.00 O ATOM 1475 CB SER A 111 6.468 -6.060 6.578 1.00 0.00 C ATOM 1476 OG SER A 111 7.405 -5.810 5.534 1.00 0.00 O ATOM 0 H SER A 111 3.458 -7.302 6.761 1.00 0.00 H new ATOM 0 HA SER A 111 5.675 -7.464 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.924 -5.143 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.003 -6.345 7.484 1.00 0.00 H new ATOM 0 HG SER A 111 8.020 -5.099 5.810 1.00 0.00 H new