USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 27 GLN : amide:sc= -5.01! C(o=-4.1!,f=-13!) USER MOD Set 1.2: A 30 THR OG1 : rot 110:sc= 0.928 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -36:sc= 0.83 USER MOD Single : A 6 THR OG1 : rot -75:sc= 1.11 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.0127 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -140:sc= -1.74! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 37:sc= -2.87! USER MOD Single : A 36 GLN : amide:sc= -1.59! C(o=-1.6!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.05! C(o=-3.1!,f=-5.7!) USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0449 USER MOD Single : A 64 SER OG : rot 48:sc= 0.0347 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 18:sc= 0.962 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 130:sc= 0.219 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0278 USER MOD Single : A 94 GLN : amide:sc= -4.9! C(o=-4.9!,f=-15!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.447 K(o=-0.45,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 35 N THR A 4 9.353 5.475 -3.403 1.00 0.00 N ATOM 36 CA THR A 4 8.358 4.726 -4.151 1.00 0.00 C ATOM 37 C THR A 4 8.491 3.229 -3.865 1.00 0.00 C ATOM 38 O THR A 4 9.599 2.693 -3.848 1.00 0.00 O ATOM 39 CB THR A 4 8.515 5.079 -5.632 1.00 0.00 C ATOM 40 OG1 THR A 4 9.922 5.221 -5.807 1.00 0.00 O ATOM 41 CG2 THR A 4 7.956 6.464 -5.966 1.00 0.00 C ATOM 0 HA THR A 4 7.347 4.995 -3.844 1.00 0.00 H new ATOM 0 HB THR A 4 8.011 4.328 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.313 5.618 -5.001 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.093 6.665 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.894 6.496 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.483 7.219 -5.383 1.00 0.00 H new ATOM 49 N ALA A 5 7.348 2.597 -3.648 1.00 0.00 N ATOM 50 CA ALA A 5 7.323 1.172 -3.364 1.00 0.00 C ATOM 51 C ALA A 5 6.955 0.408 -4.638 1.00 0.00 C ATOM 52 O ALA A 5 6.491 1.003 -5.609 1.00 0.00 O ATOM 53 CB ALA A 5 6.349 0.897 -2.217 1.00 0.00 C ATOM 0 H ALA A 5 6.432 3.045 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 5 8.307 0.827 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.330 -0.172 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.672 1.439 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.350 1.228 -2.501 1.00 0.00 H new ATOM 59 N THR A 6 7.176 -0.897 -4.592 1.00 0.00 N ATOM 60 CA THR A 6 6.872 -1.747 -5.730 1.00 0.00 C ATOM 61 C THR A 6 6.568 -3.174 -5.264 1.00 0.00 C ATOM 62 O THR A 6 7.009 -3.588 -4.194 1.00 0.00 O ATOM 63 CB THR A 6 8.047 -1.666 -6.708 1.00 0.00 C ATOM 64 OG1 THR A 6 8.999 -2.589 -6.185 1.00 0.00 O ATOM 65 CG2 THR A 6 8.766 -0.316 -6.648 1.00 0.00 C ATOM 0 H THR A 6 7.562 -1.387 -3.785 1.00 0.00 H new ATOM 0 HA THR A 6 5.974 -1.408 -6.248 1.00 0.00 H new ATOM 0 HB THR A 6 7.688 -1.842 -7.722 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.433 -2.200 -5.397 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.591 -0.311 -7.361 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.065 0.481 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.155 -0.155 -5.642 1.00 0.00 H new ATOM 73 N VAL A 7 5.815 -3.883 -6.092 1.00 0.00 N ATOM 74 CA VAL A 7 5.446 -5.253 -5.779 1.00 0.00 C ATOM 75 C VAL A 7 5.823 -6.160 -6.952 1.00 0.00 C ATOM 76 O VAL A 7 5.672 -5.777 -8.111 1.00 0.00 O ATOM 77 CB VAL A 7 3.960 -5.326 -5.420 1.00 0.00 C ATOM 78 CG1 VAL A 7 3.618 -6.668 -4.769 1.00 0.00 C ATOM 79 CG2 VAL A 7 3.556 -4.159 -4.517 1.00 0.00 C ATOM 0 H VAL A 7 5.451 -3.535 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 7 5.995 -5.606 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 7 3.388 -5.247 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.556 -6.693 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.850 -7.478 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.204 -6.790 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.495 -4.235 -4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.140 -4.192 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.745 -3.218 -5.033 1.00 0.00 H new ATOM 89 N THR A 8 6.308 -7.345 -6.610 1.00 0.00 N ATOM 90 CA THR A 8 6.709 -8.309 -7.621 1.00 0.00 C ATOM 91 C THR A 8 5.786 -8.220 -8.839 1.00 0.00 C ATOM 92 O THR A 8 6.238 -7.928 -9.945 1.00 0.00 O ATOM 93 CB THR A 8 6.727 -9.694 -6.972 1.00 0.00 C ATOM 94 OG1 THR A 8 8.110 -9.958 -6.755 1.00 0.00 O ATOM 95 CG2 THR A 8 6.284 -10.797 -7.935 1.00 0.00 C ATOM 0 H THR A 8 6.432 -7.659 -5.648 1.00 0.00 H new ATOM 0 HA THR A 8 7.710 -8.096 -7.995 1.00 0.00 H new ATOM 0 HB THR A 8 6.077 -9.693 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.245 -10.922 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.315 -11.760 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.267 -10.598 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.954 -10.820 -8.794 1.00 0.00 H new ATOM 103 N PRO A 9 4.476 -8.482 -8.587 1.00 0.00 N ATOM 104 CA PRO A 9 3.486 -8.435 -9.649 1.00 0.00 C ATOM 105 C PRO A 9 3.158 -6.989 -10.029 1.00 0.00 C ATOM 106 O PRO A 9 3.900 -6.071 -9.685 1.00 0.00 O ATOM 107 CB PRO A 9 2.286 -9.191 -9.102 1.00 0.00 C ATOM 108 CG PRO A 9 2.470 -9.232 -7.594 1.00 0.00 C ATOM 109 CD PRO A 9 3.905 -8.830 -7.289 1.00 0.00 C ATOM 0 HA PRO A 9 3.840 -8.891 -10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.355 -8.691 -9.368 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.237 -10.198 -9.517 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.771 -8.553 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.264 -10.231 -7.211 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.942 -7.986 -6.601 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.454 -9.647 -6.821 1.00 0.00 H new ATOM 117 N SER A 10 2.047 -6.833 -10.734 1.00 0.00 N ATOM 118 CA SER A 10 1.612 -5.516 -11.165 1.00 0.00 C ATOM 119 C SER A 10 0.085 -5.460 -11.218 1.00 0.00 C ATOM 120 O SER A 10 -0.506 -4.390 -11.080 1.00 0.00 O ATOM 121 CB SER A 10 2.205 -5.160 -12.530 1.00 0.00 C ATOM 122 OG SER A 10 1.454 -5.725 -13.601 1.00 0.00 O ATOM 0 H SER A 10 1.435 -7.598 -11.018 1.00 0.00 H new ATOM 0 HA SER A 10 1.970 -4.784 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.235 -4.076 -12.641 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.234 -5.515 -12.582 1.00 0.00 H new ATOM 0 HG SER A 10 1.863 -5.474 -14.455 1.00 0.00 H new ATOM 128 N SER A 11 -0.512 -6.626 -11.418 1.00 0.00 N ATOM 129 CA SER A 11 -1.960 -6.723 -11.491 1.00 0.00 C ATOM 130 C SER A 11 -2.387 -8.192 -11.472 1.00 0.00 C ATOM 131 O SER A 11 -1.557 -9.085 -11.629 1.00 0.00 O ATOM 132 CB SER A 11 -2.496 -6.031 -12.746 1.00 0.00 C ATOM 133 OG SER A 11 -1.981 -6.615 -13.939 1.00 0.00 O ATOM 0 H SER A 11 -0.019 -7.512 -11.532 1.00 0.00 H new ATOM 0 HA SER A 11 -2.381 -6.217 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.584 -6.089 -12.755 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.233 -4.974 -12.717 1.00 0.00 H new ATOM 0 HG SER A 11 -2.348 -6.146 -14.717 1.00 0.00 H new ATOM 139 N GLY A 12 -3.682 -8.396 -11.279 1.00 0.00 N ATOM 140 CA GLY A 12 -4.230 -9.741 -11.237 1.00 0.00 C ATOM 141 C GLY A 12 -3.906 -10.424 -9.908 1.00 0.00 C ATOM 142 O GLY A 12 -3.889 -11.650 -9.823 1.00 0.00 O ATOM 0 H GLY A 12 -4.368 -7.652 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.310 -9.702 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.824 -10.329 -12.060 1.00 0.00 H new ATOM 146 N LEU A 13 -3.658 -9.599 -8.901 1.00 0.00 N ATOM 147 CA LEU A 13 -3.337 -10.108 -7.578 1.00 0.00 C ATOM 148 C LEU A 13 -4.595 -10.709 -6.948 1.00 0.00 C ATOM 149 O LEU A 13 -5.413 -11.311 -7.640 1.00 0.00 O ATOM 150 CB LEU A 13 -2.684 -9.017 -6.727 1.00 0.00 C ATOM 151 CG LEU A 13 -1.632 -8.157 -7.432 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.729 -7.454 -6.416 1.00 0.00 C ATOM 153 CD2 LEU A 13 -0.830 -8.986 -8.436 1.00 0.00 C ATOM 0 H LEU A 13 -3.673 -8.582 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.601 -10.909 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.468 -8.360 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.219 -9.489 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.147 -7.380 -7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.010 -6.850 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.333 -6.812 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.219 -8.199 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.090 -8.351 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.324 -9.799 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.503 -9.399 -9.187 1.00 0.00 H new ATOM 165 N SER A 14 -4.709 -10.524 -5.640 1.00 0.00 N ATOM 166 CA SER A 14 -5.853 -11.040 -4.909 1.00 0.00 C ATOM 167 C SER A 14 -5.982 -10.321 -3.565 1.00 0.00 C ATOM 168 O SER A 14 -5.026 -9.714 -3.086 1.00 0.00 O ATOM 169 CB SER A 14 -5.734 -12.551 -4.693 1.00 0.00 C ATOM 170 OG SER A 14 -7.008 -13.172 -4.552 1.00 0.00 O ATOM 0 H SER A 14 -4.028 -10.024 -5.069 1.00 0.00 H new ATOM 0 HA SER A 14 -6.749 -10.855 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.205 -12.997 -5.535 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.136 -12.744 -3.802 1.00 0.00 H new ATOM 0 HG SER A 14 -6.889 -14.135 -4.418 1.00 0.00 H new ATOM 176 N ASP A 15 -7.175 -10.414 -2.993 1.00 0.00 N ATOM 177 CA ASP A 15 -7.441 -9.780 -1.713 1.00 0.00 C ATOM 178 C ASP A 15 -6.452 -10.306 -0.671 1.00 0.00 C ATOM 179 O ASP A 15 -6.717 -11.310 -0.010 1.00 0.00 O ATOM 180 CB ASP A 15 -8.856 -10.098 -1.225 1.00 0.00 C ATOM 181 CG ASP A 15 -9.172 -9.622 0.194 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.301 -8.937 0.771 1.00 0.00 O ATOM 183 OD2 ASP A 15 -10.279 -9.955 0.670 1.00 0.00 O ATOM 0 H ASP A 15 -7.967 -10.918 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.337 -8.703 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.571 -9.646 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.007 -11.176 -1.273 1.00 0.00 H new ATOM 189 N GLY A 16 -5.332 -9.608 -0.557 1.00 0.00 N ATOM 190 CA GLY A 16 -4.303 -9.992 0.393 1.00 0.00 C ATOM 191 C GLY A 16 -3.205 -10.811 -0.290 1.00 0.00 C ATOM 192 O GLY A 16 -2.709 -11.784 0.276 1.00 0.00 O ATOM 0 H GLY A 16 -5.115 -8.778 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.869 -9.100 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.747 -10.574 1.200 1.00 0.00 H new ATOM 196 N THR A 17 -2.858 -10.387 -1.496 1.00 0.00 N ATOM 197 CA THR A 17 -1.829 -11.068 -2.263 1.00 0.00 C ATOM 198 C THR A 17 -0.452 -10.819 -1.645 1.00 0.00 C ATOM 199 O THR A 17 0.285 -9.941 -2.096 1.00 0.00 O ATOM 200 CB THR A 17 -1.937 -10.605 -3.717 1.00 0.00 C ATOM 201 OG1 THR A 17 -2.856 -11.520 -4.305 1.00 0.00 O ATOM 202 CG2 THR A 17 -0.640 -10.824 -4.498 1.00 0.00 C ATOM 0 H THR A 17 -3.272 -9.579 -1.961 1.00 0.00 H new ATOM 0 HA THR A 17 -1.969 -12.149 -2.242 1.00 0.00 H new ATOM 0 HB THR A 17 -2.202 -9.548 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.554 -11.752 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.770 -10.479 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.168 -10.264 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.392 -11.885 -4.501 1.00 0.00 H new ATOM 210 N VAL A 18 -0.145 -11.605 -0.624 1.00 0.00 N ATOM 211 CA VAL A 18 1.131 -11.480 0.060 1.00 0.00 C ATOM 212 C VAL A 18 2.245 -12.003 -0.849 1.00 0.00 C ATOM 213 O VAL A 18 2.522 -13.201 -0.870 1.00 0.00 O ATOM 214 CB VAL A 18 1.074 -12.197 1.410 1.00 0.00 C ATOM 215 CG1 VAL A 18 2.258 -11.799 2.294 1.00 0.00 C ATOM 216 CG2 VAL A 18 -0.254 -11.926 2.119 1.00 0.00 C ATOM 0 H VAL A 18 -0.758 -12.331 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 18 1.350 -10.434 0.273 1.00 0.00 H new ATOM 0 HB VAL A 18 1.142 -13.269 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.193 -12.323 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.190 -12.066 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.236 -10.723 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.268 -12.447 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.365 -10.855 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.077 -12.283 1.499 1.00 0.00 H new ATOM 226 N VAL A 19 2.854 -11.079 -1.578 1.00 0.00 N ATOM 227 CA VAL A 19 3.931 -11.432 -2.486 1.00 0.00 C ATOM 228 C VAL A 19 5.146 -10.548 -2.198 1.00 0.00 C ATOM 229 O VAL A 19 5.050 -9.581 -1.443 1.00 0.00 O ATOM 230 CB VAL A 19 3.449 -11.332 -3.934 1.00 0.00 C ATOM 231 CG1 VAL A 19 2.393 -12.398 -4.235 1.00 0.00 C ATOM 232 CG2 VAL A 19 2.916 -9.930 -4.238 1.00 0.00 C ATOM 0 H VAL A 19 2.621 -10.086 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 19 4.237 -12.466 -2.330 1.00 0.00 H new ATOM 0 HB VAL A 19 4.304 -11.514 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.067 -12.305 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.820 -13.388 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.539 -12.261 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.580 -9.885 -5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.080 -9.707 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.708 -9.198 -4.082 1.00 0.00 H new ATOM 242 N LYS A 20 6.261 -10.910 -2.815 1.00 0.00 N ATOM 243 CA LYS A 20 7.493 -10.162 -2.634 1.00 0.00 C ATOM 244 C LYS A 20 7.254 -8.696 -3.003 1.00 0.00 C ATOM 245 O LYS A 20 6.532 -8.403 -3.954 1.00 0.00 O ATOM 246 CB LYS A 20 8.636 -10.814 -3.415 1.00 0.00 C ATOM 247 CG LYS A 20 9.048 -12.143 -2.777 1.00 0.00 C ATOM 248 CD LYS A 20 9.575 -13.117 -3.833 1.00 0.00 C ATOM 249 CE LYS A 20 10.450 -14.196 -3.193 1.00 0.00 C ATOM 250 NZ LYS A 20 11.820 -14.152 -3.752 1.00 0.00 N ATOM 0 H LYS A 20 6.337 -11.712 -3.441 1.00 0.00 H new ATOM 0 HA LYS A 20 7.800 -10.182 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.327 -10.982 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.492 -10.140 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.816 -11.967 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.194 -12.585 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.738 -13.583 -4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.151 -12.572 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.487 -14.050 -2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.011 -15.179 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.401 -14.891 -3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.781 -14.314 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.242 -13.220 -3.564 1.00 0.00 H new ATOM 264 N VAL A 21 7.874 -7.816 -2.231 1.00 0.00 N ATOM 265 CA VAL A 21 7.737 -6.388 -2.465 1.00 0.00 C ATOM 266 C VAL A 21 9.063 -5.694 -2.146 1.00 0.00 C ATOM 267 O VAL A 21 9.733 -6.045 -1.176 1.00 0.00 O ATOM 268 CB VAL A 21 6.563 -5.835 -1.655 1.00 0.00 C ATOM 269 CG1 VAL A 21 6.524 -4.307 -1.719 1.00 0.00 C ATOM 270 CG2 VAL A 21 5.239 -6.437 -2.128 1.00 0.00 C ATOM 0 H VAL A 21 8.472 -8.064 -1.443 1.00 0.00 H new ATOM 0 HA VAL A 21 7.512 -6.193 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 21 6.709 -6.123 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.680 -3.940 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.451 -3.902 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.414 -3.989 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.421 -6.027 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.084 -6.194 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.268 -7.520 -2.007 1.00 0.00 H new ATOM 280 N ALA A 22 9.402 -4.723 -2.982 1.00 0.00 N ATOM 281 CA ALA A 22 10.635 -3.977 -2.801 1.00 0.00 C ATOM 282 C ALA A 22 10.380 -2.498 -3.098 1.00 0.00 C ATOM 283 O ALA A 22 9.451 -2.160 -3.830 1.00 0.00 O ATOM 284 CB ALA A 22 11.726 -4.571 -3.694 1.00 0.00 C ATOM 0 H ALA A 22 8.844 -4.436 -3.786 1.00 0.00 H new ATOM 0 HA ALA A 22 10.981 -4.051 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.652 -4.012 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.890 -5.614 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.415 -4.511 -4.737 1.00 0.00 H new ATOM 290 N GLY A 23 11.221 -1.656 -2.515 1.00 0.00 N ATOM 291 CA GLY A 23 11.097 -0.221 -2.708 1.00 0.00 C ATOM 292 C GLY A 23 10.539 0.455 -1.455 1.00 0.00 C ATOM 293 O GLY A 23 10.126 -0.220 -0.513 1.00 0.00 O ATOM 0 H GLY A 23 11.991 -1.940 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.072 0.202 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.442 -0.020 -3.556 1.00 0.00 H new ATOM 297 N ALA A 24 10.547 1.780 -1.482 1.00 0.00 N ATOM 298 CA ALA A 24 10.048 2.555 -0.360 1.00 0.00 C ATOM 299 C ALA A 24 10.682 3.947 -0.384 1.00 0.00 C ATOM 300 O ALA A 24 11.125 4.413 -1.433 1.00 0.00 O ATOM 301 CB ALA A 24 10.333 1.807 0.945 1.00 0.00 C ATOM 0 H ALA A 24 10.892 2.336 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 24 8.968 2.684 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.958 2.389 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.836 0.837 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.408 1.662 1.054 1.00 0.00 H new ATOM 307 N GLY A 25 10.705 4.572 0.784 1.00 0.00 N ATOM 308 CA GLY A 25 11.277 5.902 0.910 1.00 0.00 C ATOM 309 C GLY A 25 12.773 5.888 0.588 1.00 0.00 C ATOM 310 O GLY A 25 13.421 6.933 0.585 1.00 0.00 O ATOM 0 H GLY A 25 10.337 4.182 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.763 6.588 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.123 6.274 1.923 1.00 0.00 H new ATOM 314 N LEU A 26 13.278 4.691 0.325 1.00 0.00 N ATOM 315 CA LEU A 26 14.684 4.527 0.002 1.00 0.00 C ATOM 316 C LEU A 26 15.533 5.206 1.080 1.00 0.00 C ATOM 317 O LEU A 26 16.184 6.216 0.817 1.00 0.00 O ATOM 318 CB LEU A 26 14.972 5.030 -1.414 1.00 0.00 C ATOM 319 CG LEU A 26 16.448 5.119 -1.808 1.00 0.00 C ATOM 320 CD1 LEU A 26 16.914 3.826 -2.481 1.00 0.00 C ATOM 321 CD2 LEU A 26 16.710 6.346 -2.682 1.00 0.00 C ATOM 0 H LEU A 26 12.738 3.826 0.329 1.00 0.00 H new ATOM 0 HA LEU A 26 14.953 3.471 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.467 4.372 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.527 6.019 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 26 17.037 5.240 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.966 3.915 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.786 2.991 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.322 3.650 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.766 6.385 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.110 6.281 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.441 7.248 -2.133 1.00 0.00 H new ATOM 333 N GLN A 27 15.497 4.624 2.270 1.00 0.00 N ATOM 334 CA GLN A 27 16.254 5.161 3.388 1.00 0.00 C ATOM 335 C GLN A 27 17.609 4.457 3.497 1.00 0.00 C ATOM 336 O GLN A 27 18.609 4.941 2.968 1.00 0.00 O ATOM 337 CB GLN A 27 15.466 5.038 4.692 1.00 0.00 C ATOM 338 CG GLN A 27 16.087 5.902 5.791 1.00 0.00 C ATOM 339 CD GLN A 27 17.551 5.521 6.026 1.00 0.00 C ATOM 340 OE1 GLN A 27 17.869 4.448 6.512 1.00 0.00 O ATOM 341 NE2 GLN A 27 18.419 6.458 5.657 1.00 0.00 N ATOM 0 H GLN A 27 14.956 3.786 2.484 1.00 0.00 H new ATOM 0 HA GLN A 27 16.430 6.221 3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.432 5.341 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.445 3.996 5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.021 6.954 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 27 15.523 5.781 6.716 1.00 0.00 H new ATOM 0 HE21 GLN A 27 18.084 7.334 5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 27 19.420 6.301 5.774 1.00 0.00 H new ATOM 350 N ALA A 28 17.598 3.326 4.188 1.00 0.00 N ATOM 351 CA ALA A 28 18.813 2.552 4.373 1.00 0.00 C ATOM 352 C ALA A 28 18.656 1.651 5.601 1.00 0.00 C ATOM 353 O ALA A 28 18.825 2.104 6.732 1.00 0.00 O ATOM 354 CB ALA A 28 20.009 3.498 4.494 1.00 0.00 C ATOM 0 H ALA A 28 16.767 2.928 4.626 1.00 0.00 H new ATOM 0 HA ALA A 28 18.993 1.909 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 28 20.920 2.916 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.094 4.095 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 19.866 4.158 5.350 1.00 0.00 H new ATOM 360 N GLY A 29 18.333 0.394 5.336 1.00 0.00 N ATOM 361 CA GLY A 29 18.152 -0.573 6.405 1.00 0.00 C ATOM 362 C GLY A 29 17.324 0.020 7.546 1.00 0.00 C ATOM 363 O GLY A 29 17.596 -0.243 8.717 1.00 0.00 O ATOM 0 H GLY A 29 18.192 0.023 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 17.657 -1.462 6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.124 -0.889 6.783 1.00 0.00 H new ATOM 367 N THR A 30 16.331 0.810 7.165 1.00 0.00 N ATOM 368 CA THR A 30 15.461 1.443 8.143 1.00 0.00 C ATOM 369 C THR A 30 14.067 0.814 8.105 1.00 0.00 C ATOM 370 O THR A 30 13.661 0.260 7.083 1.00 0.00 O ATOM 371 CB THR A 30 15.457 2.948 7.867 1.00 0.00 C ATOM 372 OG1 THR A 30 16.727 3.391 8.338 1.00 0.00 O ATOM 373 CG2 THR A 30 14.453 3.701 8.743 1.00 0.00 C ATOM 0 H THR A 30 16.109 1.026 6.193 1.00 0.00 H new ATOM 0 HA THR A 30 15.826 1.285 9.158 1.00 0.00 H new ATOM 0 HB THR A 30 15.226 3.123 6.816 1.00 0.00 H new ATOM 0 HG1 THR A 30 17.287 3.649 7.576 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.490 4.765 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.449 3.322 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 30 14.704 3.553 9.793 1.00 0.00 H new ATOM 381 N ALA A 31 13.373 0.921 9.227 1.00 0.00 N ATOM 382 CA ALA A 31 12.033 0.370 9.334 1.00 0.00 C ATOM 383 C ALA A 31 11.113 1.079 8.338 1.00 0.00 C ATOM 384 O ALA A 31 11.298 2.260 8.051 1.00 0.00 O ATOM 385 CB ALA A 31 11.541 0.500 10.777 1.00 0.00 C ATOM 0 H ALA A 31 13.713 1.381 10.071 1.00 0.00 H new ATOM 0 HA ALA A 31 12.034 -0.691 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.536 0.087 10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.212 -0.046 11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.525 1.552 11.062 1.00 0.00 H new ATOM 391 N TYR A 32 10.142 0.328 7.840 1.00 0.00 N ATOM 392 CA TYR A 32 9.193 0.871 6.882 1.00 0.00 C ATOM 393 C TYR A 32 7.811 0.241 7.064 1.00 0.00 C ATOM 394 O TYR A 32 7.423 -0.643 6.301 1.00 0.00 O ATOM 395 CB TYR A 32 9.732 0.502 5.499 1.00 0.00 C ATOM 396 CG TYR A 32 10.621 1.576 4.870 1.00 0.00 C ATOM 397 CD1 TYR A 32 10.066 2.760 4.429 1.00 0.00 C ATOM 398 CD2 TYR A 32 11.978 1.362 4.745 1.00 0.00 C ATOM 399 CE1 TYR A 32 10.903 3.772 3.837 1.00 0.00 C ATOM 400 CE2 TYR A 32 12.815 2.373 4.153 1.00 0.00 C ATOM 401 CZ TYR A 32 12.236 3.528 3.729 1.00 0.00 C ATOM 402 OH TYR A 32 13.027 4.483 3.169 1.00 0.00 O ATOM 0 H TYR A 32 9.992 -0.652 8.081 1.00 0.00 H new ATOM 0 HA TYR A 32 9.086 1.948 7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.300 -0.425 5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.891 0.305 4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.004 2.928 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.413 0.436 5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.481 4.703 3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.879 2.218 4.048 1.00 0.00 H new ATOM 0 HH TYR A 32 12.708 5.370 3.437 1.00 0.00 H new ATOM 412 N ASP A 33 7.105 0.719 8.077 1.00 0.00 N ATOM 413 CA ASP A 33 5.774 0.214 8.368 1.00 0.00 C ATOM 414 C ASP A 33 4.898 0.351 7.122 1.00 0.00 C ATOM 415 O ASP A 33 4.690 1.456 6.623 1.00 0.00 O ATOM 416 CB ASP A 33 5.118 1.010 9.498 1.00 0.00 C ATOM 417 CG ASP A 33 4.128 0.219 10.354 1.00 0.00 C ATOM 418 OD1 ASP A 33 4.545 -0.214 11.450 1.00 0.00 O ATOM 419 OD2 ASP A 33 2.975 0.064 9.894 1.00 0.00 O ATOM 0 H ASP A 33 7.430 1.452 8.708 1.00 0.00 H new ATOM 0 HA ASP A 33 5.867 -0.829 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.900 1.405 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.599 1.866 9.066 1.00 0.00 H new ATOM 425 N VAL A 34 4.407 -0.787 6.653 1.00 0.00 N ATOM 426 CA VAL A 34 3.558 -0.807 5.475 1.00 0.00 C ATOM 427 C VAL A 34 2.367 0.127 5.693 1.00 0.00 C ATOM 428 O VAL A 34 2.008 0.425 6.831 1.00 0.00 O ATOM 429 CB VAL A 34 3.139 -2.244 5.156 1.00 0.00 C ATOM 430 CG1 VAL A 34 2.314 -2.303 3.869 1.00 0.00 C ATOM 431 CG2 VAL A 34 4.360 -3.164 5.068 1.00 0.00 C ATOM 0 H VAL A 34 4.581 -1.702 7.068 1.00 0.00 H new ATOM 0 HA VAL A 34 4.104 -0.440 4.606 1.00 0.00 H new ATOM 0 HB VAL A 34 2.510 -2.598 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.030 -3.336 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.416 -1.695 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.907 -1.920 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.035 -4.179 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.026 -2.811 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.890 -3.158 6.021 1.00 0.00 H new ATOM 441 N GLY A 35 1.787 0.564 4.585 1.00 0.00 N ATOM 442 CA GLY A 35 0.644 1.459 4.641 1.00 0.00 C ATOM 443 C GLY A 35 -0.558 0.862 3.907 1.00 0.00 C ATOM 444 O GLY A 35 -1.521 0.428 4.537 1.00 0.00 O ATOM 0 H GLY A 35 2.087 0.315 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.380 1.652 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.907 2.418 4.195 1.00 0.00 H new ATOM 448 N GLN A 36 -0.460 0.855 2.585 1.00 0.00 N ATOM 449 CA GLN A 36 -1.528 0.317 1.760 1.00 0.00 C ATOM 450 C GLN A 36 -2.754 1.231 1.814 1.00 0.00 C ATOM 451 O GLN A 36 -3.460 1.268 2.820 1.00 0.00 O ATOM 452 CB GLN A 36 -1.886 -1.107 2.187 1.00 0.00 C ATOM 453 CG GLN A 36 -3.265 -1.508 1.657 1.00 0.00 C ATOM 454 CD GLN A 36 -3.145 -2.562 0.555 1.00 0.00 C ATOM 455 OE1 GLN A 36 -2.904 -3.732 0.804 1.00 0.00 O ATOM 456 NE2 GLN A 36 -3.322 -2.084 -0.673 1.00 0.00 N ATOM 0 H GLN A 36 0.342 1.213 2.066 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.177 0.274 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.133 -1.802 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.876 -1.178 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.873 -1.898 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.779 -0.629 1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.521 -1.093 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.259 -2.708 -1.477 1.00 0.00 H new ATOM 465 N CYS A 37 -2.968 1.945 0.719 1.00 0.00 N ATOM 466 CA CYS A 37 -4.097 2.856 0.629 1.00 0.00 C ATOM 467 C CYS A 37 -4.876 2.532 -0.647 1.00 0.00 C ATOM 468 O CYS A 37 -4.496 1.636 -1.400 1.00 0.00 O ATOM 469 CB CYS A 37 -3.648 4.318 0.667 1.00 0.00 C ATOM 470 SG CYS A 37 -2.579 4.756 2.086 1.00 0.00 S ATOM 0 H CYS A 37 -2.379 1.911 -0.113 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.746 2.721 1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.113 4.543 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.533 4.955 0.686 1.00 0.00 H new ATOM 475 N ALA A 38 -5.952 3.278 -0.851 1.00 0.00 N ATOM 476 CA ALA A 38 -6.788 3.081 -2.023 1.00 0.00 C ATOM 477 C ALA A 38 -6.917 4.404 -2.781 1.00 0.00 C ATOM 478 O ALA A 38 -7.937 5.084 -2.682 1.00 0.00 O ATOM 479 CB ALA A 38 -8.146 2.520 -1.594 1.00 0.00 C ATOM 0 H ALA A 38 -6.264 4.020 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.335 2.356 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.773 2.372 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.002 1.566 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.632 3.222 -0.916 1.00 0.00 H new ATOM 485 N TRP A 39 -5.867 4.730 -3.521 1.00 0.00 N ATOM 486 CA TRP A 39 -5.851 5.959 -4.296 1.00 0.00 C ATOM 487 C TRP A 39 -6.917 5.846 -5.385 1.00 0.00 C ATOM 488 O TRP A 39 -6.719 5.157 -6.384 1.00 0.00 O ATOM 489 CB TRP A 39 -4.453 6.236 -4.854 1.00 0.00 C ATOM 490 CG TRP A 39 -4.407 7.366 -5.883 1.00 0.00 C ATOM 491 CD1 TRP A 39 -4.771 8.645 -5.721 1.00 0.00 C ATOM 492 CD2 TRP A 39 -3.953 7.266 -7.250 1.00 0.00 C ATOM 493 NE1 TRP A 39 -4.587 9.374 -6.878 1.00 0.00 N ATOM 494 CE2 TRP A 39 -4.074 8.509 -7.837 1.00 0.00 C ATOM 495 CE3 TRP A 39 -3.458 6.162 -7.966 1.00 0.00 C ATOM 496 CZ2 TRP A 39 -3.720 8.766 -9.167 1.00 0.00 C ATOM 497 CZ3 TRP A 39 -3.108 6.435 -9.294 1.00 0.00 C ATOM 498 CH2 TRP A 39 -3.223 7.681 -9.899 1.00 0.00 C ATOM 0 H TRP A 39 -5.022 4.165 -3.600 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.088 6.816 -3.665 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.786 6.483 -4.028 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.069 5.325 -5.313 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -5.160 9.054 -4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -4.790 10.365 -7.006 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.356 5.181 -7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -3.825 9.748 -9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.722 5.621 -9.889 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.930 7.812 -10.930 1.00 0.00 H new ATOM 509 N VAL A 40 -8.026 6.534 -5.156 1.00 0.00 N ATOM 510 CA VAL A 40 -9.126 6.519 -6.106 1.00 0.00 C ATOM 511 C VAL A 40 -9.216 7.882 -6.797 1.00 0.00 C ATOM 512 O VAL A 40 -8.219 8.390 -7.309 1.00 0.00 O ATOM 513 CB VAL A 40 -10.423 6.120 -5.400 1.00 0.00 C ATOM 514 CG1 VAL A 40 -11.497 5.719 -6.413 1.00 0.00 C ATOM 515 CG2 VAL A 40 -10.175 4.999 -4.390 1.00 0.00 C ATOM 0 H VAL A 40 -8.187 7.105 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.951 5.772 -6.881 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.787 6.989 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.409 5.440 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.704 6.559 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.144 4.872 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.113 4.735 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.776 4.126 -4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.459 5.336 -3.641 1.00 0.00 H new ATOM 525 N ASP A 41 -10.419 8.436 -6.788 1.00 0.00 N ATOM 526 CA ASP A 41 -10.651 9.729 -7.408 1.00 0.00 C ATOM 527 C ASP A 41 -9.681 10.755 -6.818 1.00 0.00 C ATOM 528 O ASP A 41 -8.804 10.403 -6.029 1.00 0.00 O ATOM 529 CB ASP A 41 -12.076 10.220 -7.140 1.00 0.00 C ATOM 530 CG ASP A 41 -12.943 10.398 -8.388 1.00 0.00 C ATOM 531 OD1 ASP A 41 -12.348 10.544 -9.477 1.00 0.00 O ATOM 532 OD2 ASP A 41 -14.183 10.383 -8.223 1.00 0.00 O ATOM 0 H ASP A 41 -11.243 8.013 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.502 9.619 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.568 9.513 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.023 11.173 -6.614 1.00 0.00 H new ATOM 538 N THR A 42 -9.868 12.001 -7.223 1.00 0.00 N ATOM 539 CA THR A 42 -9.019 13.080 -6.745 1.00 0.00 C ATOM 540 C THR A 42 -9.343 13.405 -5.285 1.00 0.00 C ATOM 541 O THR A 42 -10.208 14.235 -5.008 1.00 0.00 O ATOM 542 CB THR A 42 -9.194 14.273 -7.686 1.00 0.00 C ATOM 543 OG1 THR A 42 -8.680 13.810 -8.932 1.00 0.00 O ATOM 544 CG2 THR A 42 -8.283 15.446 -7.321 1.00 0.00 C ATOM 0 H THR A 42 -10.595 12.289 -7.877 1.00 0.00 H new ATOM 0 HA THR A 42 -7.968 12.791 -6.756 1.00 0.00 H new ATOM 0 HB THR A 42 -10.233 14.601 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.756 14.521 -9.602 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.447 16.266 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.510 15.781 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.242 15.128 -7.373 1.00 0.00 H new ATOM 552 N GLY A 43 -8.630 12.735 -4.391 1.00 0.00 N ATOM 553 CA GLY A 43 -8.830 12.943 -2.967 1.00 0.00 C ATOM 554 C GLY A 43 -9.541 11.746 -2.333 1.00 0.00 C ATOM 555 O GLY A 43 -9.676 11.676 -1.112 1.00 0.00 O ATOM 0 H GLY A 43 -7.913 12.048 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.867 13.099 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.418 13.847 -2.807 1.00 0.00 H new ATOM 559 N VAL A 44 -9.978 10.836 -3.190 1.00 0.00 N ATOM 560 CA VAL A 44 -10.671 9.645 -2.730 1.00 0.00 C ATOM 561 C VAL A 44 -9.651 8.536 -2.462 1.00 0.00 C ATOM 562 O VAL A 44 -9.764 7.439 -3.006 1.00 0.00 O ATOM 563 CB VAL A 44 -11.744 9.238 -3.743 1.00 0.00 C ATOM 564 CG1 VAL A 44 -12.600 8.091 -3.204 1.00 0.00 C ATOM 565 CG2 VAL A 44 -12.614 10.436 -4.130 1.00 0.00 C ATOM 0 H VAL A 44 -9.866 10.899 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.188 9.844 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.239 8.885 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.354 7.821 -3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.966 7.228 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.091 8.405 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.368 10.120 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.105 10.832 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.989 11.211 -4.575 1.00 0.00 H new ATOM 575 N LEU A 45 -8.678 8.862 -1.624 1.00 0.00 N ATOM 576 CA LEU A 45 -7.637 7.908 -1.278 1.00 0.00 C ATOM 577 C LEU A 45 -7.971 7.263 0.070 1.00 0.00 C ATOM 578 O LEU A 45 -7.744 7.860 1.120 1.00 0.00 O ATOM 579 CB LEU A 45 -6.262 8.577 -1.317 1.00 0.00 C ATOM 580 CG LEU A 45 -5.110 7.777 -0.704 1.00 0.00 C ATOM 581 CD1 LEU A 45 -3.810 8.009 -1.477 1.00 0.00 C ATOM 582 CD2 LEU A 45 -4.955 8.092 0.785 1.00 0.00 C ATOM 0 H LEU A 45 -8.588 9.773 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.595 7.105 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.015 8.794 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.330 9.534 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.349 6.717 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.007 7.429 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.941 7.695 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.554 9.068 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.130 7.510 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.749 9.155 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.876 7.836 1.309 1.00 0.00 H new ATOM 594 N ALA A 46 -8.504 6.053 -0.006 1.00 0.00 N ATOM 595 CA ALA A 46 -8.871 5.321 1.195 1.00 0.00 C ATOM 596 C ALA A 46 -7.644 4.578 1.729 1.00 0.00 C ATOM 597 O ALA A 46 -7.373 3.449 1.325 1.00 0.00 O ATOM 598 CB ALA A 46 -10.034 4.377 0.882 1.00 0.00 C ATOM 0 H ALA A 46 -8.691 5.561 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.207 6.005 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.309 3.828 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.889 4.956 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.733 3.673 0.106 1.00 0.00 H new ATOM 604 N CYS A 47 -6.935 5.244 2.629 1.00 0.00 N ATOM 605 CA CYS A 47 -5.744 4.661 3.223 1.00 0.00 C ATOM 606 C CYS A 47 -6.172 3.484 4.103 1.00 0.00 C ATOM 607 O CYS A 47 -7.333 3.388 4.495 1.00 0.00 O ATOM 608 CB CYS A 47 -4.939 5.697 4.009 1.00 0.00 C ATOM 609 SG CYS A 47 -3.364 6.201 3.225 1.00 0.00 S ATOM 0 H CYS A 47 -7.162 6.181 2.961 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.081 4.303 2.436 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.557 6.583 4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.723 5.294 4.999 1.00 0.00 H new ATOM 614 N ASN A 48 -5.210 2.617 4.386 1.00 0.00 N ATOM 615 CA ASN A 48 -5.473 1.451 5.211 1.00 0.00 C ATOM 616 C ASN A 48 -4.692 1.573 6.521 1.00 0.00 C ATOM 617 O ASN A 48 -3.605 1.014 6.655 1.00 0.00 O ATOM 618 CB ASN A 48 -5.022 0.168 4.509 1.00 0.00 C ATOM 619 CG ASN A 48 -5.652 -1.064 5.163 1.00 0.00 C ATOM 620 OD1 ASN A 48 -6.743 -1.020 5.708 1.00 0.00 O ATOM 621 ND2 ASN A 48 -4.907 -2.162 5.078 1.00 0.00 N ATOM 0 H ASN A 48 -4.248 2.699 4.058 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.546 1.403 5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.301 0.208 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.936 0.090 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.240 -3.037 5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.003 -2.129 4.608 1.00 0.00 H new ATOM 628 N PRO A 49 -5.295 2.326 7.481 1.00 0.00 N ATOM 629 CA PRO A 49 -4.668 2.528 8.775 1.00 0.00 C ATOM 630 C PRO A 49 -4.782 1.273 9.641 1.00 0.00 C ATOM 631 O PRO A 49 -4.847 1.363 10.867 1.00 0.00 O ATOM 632 CB PRO A 49 -5.381 3.730 9.373 1.00 0.00 C ATOM 633 CG PRO A 49 -6.683 3.868 8.603 1.00 0.00 C ATOM 634 CD PRO A 49 -6.582 3.004 7.357 1.00 0.00 C ATOM 0 HA PRO A 49 -3.597 2.714 8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.570 3.583 10.436 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.774 4.631 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.526 3.553 9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.858 4.909 8.332 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.403 2.289 7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.626 3.608 6.451 1.00 0.00 H new ATOM 642 N ALA A 50 -4.804 0.130 8.971 1.00 0.00 N ATOM 643 CA ALA A 50 -4.908 -1.142 9.665 1.00 0.00 C ATOM 644 C ALA A 50 -3.915 -2.133 9.056 1.00 0.00 C ATOM 645 O ALA A 50 -3.933 -3.318 9.387 1.00 0.00 O ATOM 646 CB ALA A 50 -6.351 -1.645 9.593 1.00 0.00 C ATOM 0 H ALA A 50 -4.752 0.059 7.955 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.654 -1.026 10.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.430 -2.599 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.013 -0.919 10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.639 -1.776 8.550 1.00 0.00 H new ATOM 652 N ASP A 51 -3.071 -1.612 8.178 1.00 0.00 N ATOM 653 CA ASP A 51 -2.071 -2.437 7.520 1.00 0.00 C ATOM 654 C ASP A 51 -1.221 -3.142 8.579 1.00 0.00 C ATOM 655 O ASP A 51 -1.124 -4.369 8.586 1.00 0.00 O ATOM 656 CB ASP A 51 -1.139 -1.587 6.655 1.00 0.00 C ATOM 657 CG ASP A 51 -0.698 -0.264 7.285 1.00 0.00 C ATOM 658 OD1 ASP A 51 -1.229 0.778 6.846 1.00 0.00 O ATOM 659 OD2 ASP A 51 0.159 -0.326 8.192 1.00 0.00 O ATOM 0 H ASP A 51 -3.059 -0.629 7.907 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.591 -3.158 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.251 -2.174 6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.639 -1.373 5.710 1.00 0.00 H new ATOM 665 N PHE A 52 -0.628 -2.337 9.448 1.00 0.00 N ATOM 666 CA PHE A 52 0.211 -2.869 10.509 1.00 0.00 C ATOM 667 C PHE A 52 1.514 -3.438 9.944 1.00 0.00 C ATOM 668 O PHE A 52 2.580 -3.263 10.534 1.00 0.00 O ATOM 669 CB PHE A 52 -0.577 -3.997 11.179 1.00 0.00 C ATOM 670 CG PHE A 52 -2.002 -3.608 11.578 1.00 0.00 C ATOM 671 CD1 PHE A 52 -2.254 -2.369 12.078 1.00 0.00 C ATOM 672 CD2 PHE A 52 -3.015 -4.503 11.432 1.00 0.00 C ATOM 673 CE1 PHE A 52 -3.577 -2.009 12.448 1.00 0.00 C ATOM 674 CE2 PHE A 52 -4.338 -4.143 11.802 1.00 0.00 C ATOM 675 CZ PHE A 52 -4.591 -2.903 12.303 1.00 0.00 C ATOM 0 H PHE A 52 -0.712 -1.320 9.439 1.00 0.00 H new ATOM 0 HA PHE A 52 0.467 -2.078 11.214 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.620 -4.849 10.501 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.038 -4.325 12.068 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.448 -1.659 12.194 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.814 -5.487 11.035 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.778 -1.025 12.845 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.143 -4.853 11.686 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.597 -2.629 12.585 1.00 0.00 H new ATOM 685 N SER A 53 1.386 -4.108 8.808 1.00 0.00 N ATOM 686 CA SER A 53 2.541 -4.704 8.158 1.00 0.00 C ATOM 687 C SER A 53 3.751 -3.775 8.283 1.00 0.00 C ATOM 688 O SER A 53 3.595 -2.559 8.388 1.00 0.00 O ATOM 689 CB SER A 53 2.250 -5.002 6.685 1.00 0.00 C ATOM 690 OG SER A 53 1.739 -6.318 6.497 1.00 0.00 O ATOM 0 H SER A 53 0.501 -4.251 8.321 1.00 0.00 H new ATOM 0 HA SER A 53 2.764 -5.648 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.532 -4.276 6.304 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.164 -4.882 6.103 1.00 0.00 H new ATOM 0 HG SER A 53 2.002 -6.648 5.613 1.00 0.00 H new ATOM 696 N SER A 54 4.927 -4.383 8.267 1.00 0.00 N ATOM 697 CA SER A 54 6.162 -3.626 8.377 1.00 0.00 C ATOM 698 C SER A 54 7.280 -4.331 7.606 1.00 0.00 C ATOM 699 O SER A 54 7.369 -5.558 7.619 1.00 0.00 O ATOM 700 CB SER A 54 6.565 -3.438 9.842 1.00 0.00 C ATOM 701 OG SER A 54 6.514 -4.662 10.570 1.00 0.00 O ATOM 0 H SER A 54 5.051 -5.392 8.179 1.00 0.00 H new ATOM 0 HA SER A 54 5.997 -2.640 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.574 -3.029 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.903 -2.710 10.310 1.00 0.00 H new ATOM 0 HG SER A 54 6.779 -4.501 11.500 1.00 0.00 H new ATOM 707 N VAL A 55 8.105 -3.525 6.954 1.00 0.00 N ATOM 708 CA VAL A 55 9.214 -4.057 6.179 1.00 0.00 C ATOM 709 C VAL A 55 10.489 -3.286 6.525 1.00 0.00 C ATOM 710 O VAL A 55 10.440 -2.293 7.248 1.00 0.00 O ATOM 711 CB VAL A 55 8.876 -4.016 4.687 1.00 0.00 C ATOM 712 CG1 VAL A 55 8.785 -2.574 4.185 1.00 0.00 C ATOM 713 CG2 VAL A 55 9.893 -4.817 3.873 1.00 0.00 C ATOM 0 H VAL A 55 8.028 -2.508 6.946 1.00 0.00 H new ATOM 0 HA VAL A 55 9.389 -5.103 6.431 1.00 0.00 H new ATOM 0 HB VAL A 55 7.899 -4.480 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.544 -2.573 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.006 -2.046 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.741 -2.074 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.630 -4.772 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.888 -4.396 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.887 -5.855 4.204 1.00 0.00 H new ATOM 723 N THR A 56 11.600 -3.774 5.993 1.00 0.00 N ATOM 724 CA THR A 56 12.886 -3.142 6.236 1.00 0.00 C ATOM 725 C THR A 56 13.541 -2.739 4.914 1.00 0.00 C ATOM 726 O THR A 56 13.325 -3.383 3.888 1.00 0.00 O ATOM 727 CB THR A 56 13.735 -4.107 7.067 1.00 0.00 C ATOM 728 OG1 THR A 56 13.261 -3.929 8.398 1.00 0.00 O ATOM 729 CG2 THR A 56 15.203 -3.682 7.135 1.00 0.00 C ATOM 0 H THR A 56 11.636 -4.599 5.395 1.00 0.00 H new ATOM 0 HA THR A 56 12.773 -2.216 6.800 1.00 0.00 H new ATOM 0 HB THR A 56 13.665 -5.109 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.757 -4.519 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.762 -4.399 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.619 -3.649 6.128 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.275 -2.694 7.590 1.00 0.00 H new ATOM 737 N ALA A 57 14.329 -1.676 4.981 1.00 0.00 N ATOM 738 CA ALA A 57 15.016 -1.180 3.801 1.00 0.00 C ATOM 739 C ALA A 57 16.287 -2.002 3.572 1.00 0.00 C ATOM 740 O ALA A 57 16.739 -2.713 4.469 1.00 0.00 O ATOM 741 CB ALA A 57 15.310 0.312 3.971 1.00 0.00 C ATOM 0 H ALA A 57 14.507 -1.145 5.833 1.00 0.00 H new ATOM 0 HA ALA A 57 14.388 -1.290 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.826 0.684 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.374 0.855 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.940 0.461 4.848 1.00 0.00 H new ATOM 747 N ASP A 58 16.827 -1.876 2.369 1.00 0.00 N ATOM 748 CA ASP A 58 18.035 -2.599 2.013 1.00 0.00 C ATOM 749 C ASP A 58 19.103 -1.603 1.553 1.00 0.00 C ATOM 750 O ASP A 58 18.892 -0.859 0.597 1.00 0.00 O ATOM 751 CB ASP A 58 17.775 -3.576 0.864 1.00 0.00 C ATOM 752 CG ASP A 58 16.960 -3.004 -0.298 1.00 0.00 C ATOM 753 OD1 ASP A 58 16.998 -1.766 -0.463 1.00 0.00 O ATOM 754 OD2 ASP A 58 16.319 -3.819 -0.996 1.00 0.00 O ATOM 0 H ASP A 58 16.450 -1.284 1.629 1.00 0.00 H new ATOM 0 HA ASP A 58 18.366 -3.154 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.733 -3.925 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.254 -4.448 1.259 1.00 0.00 H new ATOM 760 N ALA A 59 20.226 -1.622 2.257 1.00 0.00 N ATOM 761 CA ALA A 59 21.326 -0.730 1.933 1.00 0.00 C ATOM 762 C ALA A 59 20.769 0.567 1.343 1.00 0.00 C ATOM 763 O ALA A 59 20.493 1.518 2.073 1.00 0.00 O ATOM 764 CB ALA A 59 22.292 -1.436 0.981 1.00 0.00 C ATOM 0 H ALA A 59 20.397 -2.241 3.050 1.00 0.00 H new ATOM 0 HA ALA A 59 21.886 -0.469 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 59 23.117 -0.767 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 59 22.682 -2.335 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 59 21.766 -1.711 0.067 1.00 0.00 H new ATOM 770 N ASN A 60 20.620 0.564 0.027 1.00 0.00 N ATOM 771 CA ASN A 60 20.100 1.728 -0.671 1.00 0.00 C ATOM 772 C ASN A 60 19.022 2.392 0.187 1.00 0.00 C ATOM 773 O ASN A 60 19.004 3.613 0.333 1.00 0.00 O ATOM 774 CB ASN A 60 19.466 1.334 -2.006 1.00 0.00 C ATOM 775 CG ASN A 60 20.450 1.534 -3.161 1.00 0.00 C ATOM 776 OD1 ASN A 60 21.400 2.296 -3.077 1.00 0.00 O ATOM 777 ND2 ASN A 60 20.171 0.808 -4.239 1.00 0.00 N ATOM 0 H ASN A 60 20.850 -0.226 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 60 20.931 2.409 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.150 0.291 -1.969 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.571 1.932 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.768 0.869 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.360 0.190 -4.242 1.00 0.00 H new ATOM 784 N GLY A 61 18.148 1.558 0.732 1.00 0.00 N ATOM 785 CA GLY A 61 17.068 2.048 1.572 1.00 0.00 C ATOM 786 C GLY A 61 15.708 1.606 1.030 1.00 0.00 C ATOM 787 O GLY A 61 14.668 2.052 1.513 1.00 0.00 O ATOM 0 H GLY A 61 18.166 0.546 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.196 1.677 2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.107 3.136 1.623 1.00 0.00 H new ATOM 791 N SER A 62 15.759 0.732 0.035 1.00 0.00 N ATOM 792 CA SER A 62 14.543 0.224 -0.578 1.00 0.00 C ATOM 793 C SER A 62 14.052 -1.011 0.180 1.00 0.00 C ATOM 794 O SER A 62 14.833 -1.915 0.473 1.00 0.00 O ATOM 795 CB SER A 62 14.769 -0.113 -2.053 1.00 0.00 C ATOM 796 OG SER A 62 14.124 -1.328 -2.427 1.00 0.00 O ATOM 0 H SER A 62 16.623 0.363 -0.362 1.00 0.00 H new ATOM 0 HA SER A 62 13.782 1.002 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.395 0.702 -2.673 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.839 -0.196 -2.247 1.00 0.00 H new ATOM 0 HG SER A 62 14.291 -1.508 -3.376 1.00 0.00 H new ATOM 802 N ALA A 63 12.761 -1.009 0.477 1.00 0.00 N ATOM 803 CA ALA A 63 12.156 -2.117 1.196 1.00 0.00 C ATOM 804 C ALA A 63 12.386 -3.413 0.413 1.00 0.00 C ATOM 805 O ALA A 63 12.766 -3.376 -0.756 1.00 0.00 O ATOM 806 CB ALA A 63 10.671 -1.830 1.422 1.00 0.00 C ATOM 0 H ALA A 63 12.117 -0.257 0.233 1.00 0.00 H new ATOM 0 HA ALA A 63 12.618 -2.236 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 63 10.218 -2.662 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.562 -0.916 2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.174 -1.707 0.460 1.00 0.00 H new ATOM 812 N SER A 64 12.147 -4.526 1.091 1.00 0.00 N ATOM 813 CA SER A 64 12.323 -5.829 0.474 1.00 0.00 C ATOM 814 C SER A 64 11.729 -6.917 1.370 1.00 0.00 C ATOM 815 O SER A 64 12.362 -7.348 2.334 1.00 0.00 O ATOM 816 CB SER A 64 13.801 -6.114 0.202 1.00 0.00 C ATOM 817 OG SER A 64 14.631 -5.717 1.290 1.00 0.00 O ATOM 0 H SER A 64 11.833 -4.552 2.061 1.00 0.00 H new ATOM 0 HA SER A 64 11.799 -5.828 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 64 13.936 -7.179 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 64 14.111 -5.588 -0.701 1.00 0.00 H new ATOM 0 HG SER A 64 14.255 -6.056 2.129 1.00 0.00 H new ATOM 823 N THR A 65 10.519 -7.331 1.022 1.00 0.00 N ATOM 824 CA THR A 65 9.833 -8.360 1.785 1.00 0.00 C ATOM 825 C THR A 65 8.454 -8.638 1.183 1.00 0.00 C ATOM 826 O THR A 65 8.005 -7.920 0.290 1.00 0.00 O ATOM 827 CB THR A 65 9.779 -7.911 3.246 1.00 0.00 C ATOM 828 OG1 THR A 65 9.906 -9.121 3.987 1.00 0.00 O ATOM 829 CG2 THR A 65 8.403 -7.374 3.643 1.00 0.00 C ATOM 0 H THR A 65 9.997 -6.973 0.223 1.00 0.00 H new ATOM 0 HA THR A 65 10.370 -9.308 1.742 1.00 0.00 H new ATOM 0 HB THR A 65 10.532 -7.142 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.883 -8.921 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.419 -7.069 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.153 -6.516 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.654 -8.154 3.504 1.00 0.00 H new ATOM 837 N SER A 66 7.819 -9.683 1.696 1.00 0.00 N ATOM 838 CA SER A 66 6.501 -10.064 1.221 1.00 0.00 C ATOM 839 C SER A 66 5.431 -9.200 1.893 1.00 0.00 C ATOM 840 O SER A 66 5.213 -9.304 3.100 1.00 0.00 O ATOM 841 CB SER A 66 6.228 -11.547 1.483 1.00 0.00 C ATOM 842 OG SER A 66 6.027 -11.815 2.868 1.00 0.00 O ATOM 0 H SER A 66 8.194 -10.277 2.436 1.00 0.00 H new ATOM 0 HA SER A 66 6.466 -9.901 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.347 -11.858 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.066 -12.140 1.117 1.00 0.00 H new ATOM 0 HG SER A 66 5.815 -10.980 3.335 1.00 0.00 H new ATOM 848 N LEU A 67 4.792 -8.369 1.084 1.00 0.00 N ATOM 849 CA LEU A 67 3.752 -7.487 1.586 1.00 0.00 C ATOM 850 C LEU A 67 2.388 -7.999 1.118 1.00 0.00 C ATOM 851 O LEU A 67 2.277 -8.592 0.046 1.00 0.00 O ATOM 852 CB LEU A 67 4.037 -6.039 1.184 1.00 0.00 C ATOM 853 CG LEU A 67 5.245 -5.382 1.855 1.00 0.00 C ATOM 854 CD1 LEU A 67 5.091 -3.860 1.893 1.00 0.00 C ATOM 855 CD2 LEU A 67 5.485 -5.969 3.248 1.00 0.00 C ATOM 0 H LEU A 67 4.974 -8.287 0.084 1.00 0.00 H new ATOM 0 HA LEU A 67 3.739 -7.493 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.183 -6.005 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.153 -5.441 1.406 1.00 0.00 H new ATOM 0 HG LEU A 67 6.129 -5.601 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.963 -3.418 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.006 -3.477 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.194 -3.599 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.349 -5.485 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.606 -5.801 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.671 -7.040 3.164 1.00 0.00 H new ATOM 867 N THR A 68 1.383 -7.751 1.946 1.00 0.00 N ATOM 868 CA THR A 68 0.030 -8.179 1.631 1.00 0.00 C ATOM 869 C THR A 68 -0.661 -7.144 0.740 1.00 0.00 C ATOM 870 O THR A 68 -1.033 -6.068 1.205 1.00 0.00 O ATOM 871 CB THR A 68 -0.704 -8.435 2.948 1.00 0.00 C ATOM 872 OG1 THR A 68 -2.078 -8.479 2.576 1.00 0.00 O ATOM 873 CG2 THR A 68 -0.616 -7.246 3.907 1.00 0.00 C ATOM 0 H THR A 68 1.479 -7.259 2.834 1.00 0.00 H new ATOM 0 HA THR A 68 0.031 -9.107 1.059 1.00 0.00 H new ATOM 0 HB THR A 68 -0.290 -9.321 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.627 -8.643 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.153 -7.479 4.826 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.429 -7.042 4.139 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.061 -6.368 3.440 1.00 0.00 H new ATOM 881 N VAL A 69 -0.813 -7.508 -0.525 1.00 0.00 N ATOM 882 CA VAL A 69 -1.455 -6.626 -1.486 1.00 0.00 C ATOM 883 C VAL A 69 -2.973 -6.745 -1.346 1.00 0.00 C ATOM 884 O VAL A 69 -3.651 -7.195 -2.269 1.00 0.00 O ATOM 885 CB VAL A 69 -0.956 -6.940 -2.898 1.00 0.00 C ATOM 886 CG1 VAL A 69 -1.327 -5.818 -3.871 1.00 0.00 C ATOM 887 CG2 VAL A 69 0.552 -7.195 -2.903 1.00 0.00 C ATOM 0 H VAL A 69 -0.503 -8.401 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.192 -5.587 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.450 -7.852 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.961 -6.065 -4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.411 -5.705 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.874 -4.884 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.880 -7.416 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.072 -6.309 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.780 -8.042 -2.256 1.00 0.00 H new ATOM 897 N ARG A 70 -3.464 -6.334 -0.186 1.00 0.00 N ATOM 898 CA ARG A 70 -4.890 -6.389 0.085 1.00 0.00 C ATOM 899 C ARG A 70 -5.671 -5.710 -1.041 1.00 0.00 C ATOM 900 O ARG A 70 -5.214 -4.720 -1.610 1.00 0.00 O ATOM 901 CB ARG A 70 -5.225 -5.706 1.413 1.00 0.00 C ATOM 902 CG ARG A 70 -4.393 -6.290 2.556 1.00 0.00 C ATOM 903 CD ARG A 70 -3.785 -5.181 3.415 1.00 0.00 C ATOM 904 NE ARG A 70 -2.409 -4.883 2.958 1.00 0.00 N ATOM 905 CZ ARG A 70 -1.446 -4.388 3.747 1.00 0.00 C ATOM 906 NH1 ARG A 70 -1.701 -4.133 5.037 1.00 0.00 N ATOM 907 NH2 ARG A 70 -0.226 -4.149 3.245 1.00 0.00 N ATOM 0 H ARG A 70 -2.899 -5.961 0.577 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.175 -7.439 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.038 -4.635 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.286 -5.828 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.020 -6.932 3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.599 -6.916 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.400 -4.283 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.771 -5.486 4.461 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.180 -5.066 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.629 -4.316 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.967 -3.756 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.031 -4.344 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.508 -3.772 3.845 1.00 0.00 H new ATOM 921 N ARG A 71 -6.838 -6.269 -1.329 1.00 0.00 N ATOM 922 CA ARG A 71 -7.688 -5.730 -2.378 1.00 0.00 C ATOM 923 C ARG A 71 -9.030 -5.282 -1.796 1.00 0.00 C ATOM 924 O ARG A 71 -9.260 -4.088 -1.606 1.00 0.00 O ATOM 925 CB ARG A 71 -7.936 -6.769 -3.473 1.00 0.00 C ATOM 926 CG ARG A 71 -8.952 -6.255 -4.495 1.00 0.00 C ATOM 927 CD ARG A 71 -9.564 -7.411 -5.289 1.00 0.00 C ATOM 928 NE ARG A 71 -10.993 -7.566 -4.938 1.00 0.00 N ATOM 929 CZ ARG A 71 -11.706 -8.678 -5.162 1.00 0.00 C ATOM 930 NH1 ARG A 71 -11.127 -9.739 -5.739 1.00 0.00 N ATOM 931 NH2 ARG A 71 -12.998 -8.728 -4.810 1.00 0.00 N ATOM 0 H ARG A 71 -7.215 -7.089 -0.854 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.174 -4.874 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.998 -7.005 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.300 -7.694 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.740 -5.703 -3.983 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.466 -5.558 -5.177 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.462 -7.223 -6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.026 -8.335 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.465 -6.776 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.144 -9.700 -6.008 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.669 -10.586 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.439 -7.919 -4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.541 -9.575 -4.981 1.00 0.00 H new ATOM 945 N SER A 72 -9.879 -6.263 -1.528 1.00 0.00 N ATOM 946 CA SER A 72 -11.192 -5.984 -0.972 1.00 0.00 C ATOM 947 C SER A 72 -11.072 -5.672 0.521 1.00 0.00 C ATOM 948 O SER A 72 -11.015 -6.583 1.347 1.00 0.00 O ATOM 949 CB SER A 72 -12.146 -7.160 -1.193 1.00 0.00 C ATOM 950 OG SER A 72 -13.478 -6.847 -0.800 1.00 0.00 O ATOM 0 H SER A 72 -9.683 -7.252 -1.685 1.00 0.00 H new ATOM 0 HA SER A 72 -11.604 -5.116 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.135 -7.443 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.795 -8.023 -0.628 1.00 0.00 H new ATOM 0 HG SER A 72 -14.056 -7.622 -0.958 1.00 0.00 H new ATOM 956 N PHE A 73 -11.037 -4.383 0.824 1.00 0.00 N ATOM 957 CA PHE A 73 -10.925 -3.940 2.203 1.00 0.00 C ATOM 958 C PHE A 73 -11.595 -2.578 2.398 1.00 0.00 C ATOM 959 O PHE A 73 -12.181 -2.031 1.465 1.00 0.00 O ATOM 960 CB PHE A 73 -9.433 -3.809 2.511 1.00 0.00 C ATOM 961 CG PHE A 73 -8.867 -2.409 2.266 1.00 0.00 C ATOM 962 CD1 PHE A 73 -8.958 -1.844 1.032 1.00 0.00 C ATOM 963 CD2 PHE A 73 -8.273 -1.729 3.283 1.00 0.00 C ATOM 964 CE1 PHE A 73 -8.434 -0.544 0.807 1.00 0.00 C ATOM 965 CE2 PHE A 73 -7.747 -0.429 3.057 1.00 0.00 C ATOM 966 CZ PHE A 73 -7.840 0.136 1.823 1.00 0.00 C ATOM 0 H PHE A 73 -11.084 -3.630 0.137 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.416 -4.654 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.262 -4.081 3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.882 -4.524 1.900 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.429 -2.384 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.201 -2.178 4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.507 -0.095 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.274 0.110 3.864 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.442 1.125 1.651 1.00 0.00 H new ATOM 976 N GLU A 74 -11.486 -2.070 3.617 1.00 0.00 N ATOM 977 CA GLU A 74 -12.074 -0.782 3.946 1.00 0.00 C ATOM 978 C GLU A 74 -10.977 0.258 4.179 1.00 0.00 C ATOM 979 O GLU A 74 -10.168 0.117 5.094 1.00 0.00 O ATOM 980 CB GLU A 74 -12.992 -0.895 5.165 1.00 0.00 C ATOM 981 CG GLU A 74 -12.311 -1.672 6.294 1.00 0.00 C ATOM 982 CD GLU A 74 -12.662 -3.159 6.224 1.00 0.00 C ATOM 983 OE1 GLU A 74 -13.391 -3.614 7.133 1.00 0.00 O ATOM 984 OE2 GLU A 74 -12.194 -3.809 5.264 1.00 0.00 O ATOM 0 H GLU A 74 -11.000 -2.527 4.389 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.683 -0.455 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.261 0.101 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.918 -1.395 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.230 -1.546 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.620 -1.267 7.257 1.00 0.00 H new ATOM 992 N GLY A 75 -10.985 1.279 3.334 1.00 0.00 N ATOM 993 CA GLY A 75 -10.001 2.343 3.437 1.00 0.00 C ATOM 994 C GLY A 75 -10.637 3.629 3.969 1.00 0.00 C ATOM 995 O GLY A 75 -11.857 3.775 3.951 1.00 0.00 O ATOM 0 H GLY A 75 -11.657 1.392 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.192 2.032 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.558 2.530 2.459 1.00 0.00 H new ATOM 999 N PHE A 76 -9.779 4.528 4.429 1.00 0.00 N ATOM 1000 CA PHE A 76 -10.242 5.798 4.963 1.00 0.00 C ATOM 1001 C PHE A 76 -9.754 6.966 4.105 1.00 0.00 C ATOM 1002 O PHE A 76 -8.579 7.028 3.746 1.00 0.00 O ATOM 1003 CB PHE A 76 -9.652 5.931 6.369 1.00 0.00 C ATOM 1004 CG PHE A 76 -10.488 5.261 7.462 1.00 0.00 C ATOM 1005 CD1 PHE A 76 -10.584 3.906 7.508 1.00 0.00 C ATOM 1006 CD2 PHE A 76 -11.135 6.021 8.385 1.00 0.00 C ATOM 1007 CE1 PHE A 76 -11.360 3.283 8.522 1.00 0.00 C ATOM 1008 CE2 PHE A 76 -11.911 5.399 9.399 1.00 0.00 C ATOM 1009 CZ PHE A 76 -12.007 4.043 9.446 1.00 0.00 C ATOM 0 H PHE A 76 -8.767 4.402 4.443 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.332 5.823 4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.652 5.498 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.542 6.989 6.607 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.070 3.303 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.059 7.098 8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.436 2.206 8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.425 6.003 10.133 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.597 3.570 10.217 1.00 0.00 H new ATOM 1019 N LEU A 77 -10.680 7.863 3.800 1.00 0.00 N ATOM 1020 CA LEU A 77 -10.359 9.025 2.990 1.00 0.00 C ATOM 1021 C LEU A 77 -9.016 9.601 3.444 1.00 0.00 C ATOM 1022 O LEU A 77 -8.069 9.668 2.661 1.00 0.00 O ATOM 1023 CB LEU A 77 -11.506 10.037 3.027 1.00 0.00 C ATOM 1024 CG LEU A 77 -12.625 9.821 2.005 1.00 0.00 C ATOM 1025 CD1 LEU A 77 -13.884 10.592 2.401 1.00 0.00 C ATOM 1026 CD2 LEU A 77 -12.154 10.176 0.594 1.00 0.00 C ATOM 0 H LEU A 77 -11.653 7.808 4.100 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.248 8.742 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.945 10.023 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.090 11.033 2.876 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.885 8.762 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -14.664 10.422 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.230 10.248 3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.658 11.657 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.968 10.014 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.851 11.223 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.307 9.545 0.324 1.00 0.00 H new ATOM 1038 N PHE A 78 -8.975 10.002 4.706 1.00 0.00 N ATOM 1039 CA PHE A 78 -7.764 10.571 5.272 1.00 0.00 C ATOM 1040 C PHE A 78 -8.090 11.507 6.437 1.00 0.00 C ATOM 1041 O PHE A 78 -7.254 11.733 7.310 1.00 0.00 O ATOM 1042 CB PHE A 78 -7.086 11.376 4.161 1.00 0.00 C ATOM 1043 CG PHE A 78 -6.369 12.634 4.654 1.00 0.00 C ATOM 1044 CD1 PHE A 78 -5.132 12.537 5.212 1.00 0.00 C ATOM 1045 CD2 PHE A 78 -6.967 13.849 4.535 1.00 0.00 C ATOM 1046 CE1 PHE A 78 -4.466 13.705 5.669 1.00 0.00 C ATOM 1047 CE2 PHE A 78 -6.301 15.017 4.992 1.00 0.00 C ATOM 1048 CZ PHE A 78 -5.064 14.920 5.550 1.00 0.00 C ATOM 0 H PHE A 78 -9.762 9.944 5.353 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.121 9.776 5.649 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.366 10.736 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.836 11.663 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.657 11.572 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -7.949 13.926 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.484 13.628 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.776 15.982 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.557 15.808 5.898 1.00 0.00 H new ATOM 1092 N ARG A 82 -14.461 7.176 6.007 1.00 0.00 N ATOM 1093 CA ARG A 82 -14.050 5.946 5.352 1.00 0.00 C ATOM 1094 C ARG A 82 -15.148 5.456 4.406 1.00 0.00 C ATOM 1095 O ARG A 82 -16.310 5.830 4.550 1.00 0.00 O ATOM 1096 CB ARG A 82 -13.746 4.852 6.378 1.00 0.00 C ATOM 1097 CG ARG A 82 -15.000 4.479 7.171 1.00 0.00 C ATOM 1098 CD ARG A 82 -15.012 2.987 7.508 1.00 0.00 C ATOM 1099 NE ARG A 82 -16.365 2.429 7.284 1.00 0.00 N ATOM 1100 CZ ARG A 82 -17.429 2.706 8.050 1.00 0.00 C ATOM 1101 NH1 ARG A 82 -17.303 3.536 9.095 1.00 0.00 N ATOM 1102 NH2 ARG A 82 -18.617 2.154 7.771 1.00 0.00 N ATOM 0 HA ARG A 82 -13.144 6.159 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.357 3.970 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -12.968 5.195 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.040 5.063 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.889 4.732 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.285 2.460 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.715 2.838 8.546 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.495 1.794 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.398 3.956 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.112 3.748 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.712 1.523 6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.427 2.365 8.354 1.00 0.00 H new ATOM 1116 N TRP A 83 -14.739 4.626 3.457 1.00 0.00 N ATOM 1117 CA TRP A 83 -15.673 4.080 2.487 1.00 0.00 C ATOM 1118 C TRP A 83 -16.254 2.787 3.064 1.00 0.00 C ATOM 1119 O TRP A 83 -17.464 2.676 3.253 1.00 0.00 O ATOM 1120 CB TRP A 83 -14.997 3.878 1.129 1.00 0.00 C ATOM 1121 CG TRP A 83 -14.431 5.161 0.519 1.00 0.00 C ATOM 1122 CD1 TRP A 83 -13.150 5.550 0.458 1.00 0.00 C ATOM 1123 CD2 TRP A 83 -15.183 6.216 -0.117 1.00 0.00 C ATOM 1124 NE1 TRP A 83 -13.022 6.772 -0.170 1.00 0.00 N ATOM 1125 CE2 TRP A 83 -14.298 7.190 -0.531 1.00 0.00 C ATOM 1126 CE3 TRP A 83 -16.566 6.343 -0.337 1.00 0.00 C ATOM 1127 CZ2 TRP A 83 -14.697 8.360 -1.189 1.00 0.00 C ATOM 1128 CZ3 TRP A 83 -16.948 7.517 -0.996 1.00 0.00 C ATOM 1129 CH2 TRP A 83 -16.069 8.508 -1.419 1.00 0.00 C ATOM 0 H TRP A 83 -13.774 4.319 3.339 1.00 0.00 H new ATOM 0 HA TRP A 83 -16.491 4.777 2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -14.190 3.154 1.241 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -15.719 3.446 0.436 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.322 4.979 0.851 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.151 7.276 -0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -17.277 5.594 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.984 9.108 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -18.000 7.664 -1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -16.443 9.387 -1.922 1.00 0.00 H new ATOM 1140 N GLY A 84 -15.363 1.843 3.328 1.00 0.00 N ATOM 1141 CA GLY A 84 -15.772 0.562 3.880 1.00 0.00 C ATOM 1142 C GLY A 84 -15.942 -0.482 2.774 1.00 0.00 C ATOM 1143 O GLY A 84 -16.204 -0.136 1.624 1.00 0.00 O ATOM 0 H GLY A 84 -14.360 1.939 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.029 0.218 4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.710 0.678 4.423 1.00 0.00 H new ATOM 1147 N THR A 85 -15.785 -1.739 3.163 1.00 0.00 N ATOM 1148 CA THR A 85 -15.917 -2.836 2.220 1.00 0.00 C ATOM 1149 C THR A 85 -15.909 -2.308 0.784 1.00 0.00 C ATOM 1150 O THR A 85 -16.954 -2.240 0.138 1.00 0.00 O ATOM 1151 CB THR A 85 -17.185 -3.614 2.574 1.00 0.00 C ATOM 1152 OG1 THR A 85 -16.717 -4.697 3.374 1.00 0.00 O ATOM 1153 CG2 THR A 85 -17.813 -4.296 1.357 1.00 0.00 C ATOM 0 H THR A 85 -15.568 -2.022 4.119 1.00 0.00 H new ATOM 0 HA THR A 85 -15.070 -3.519 2.287 1.00 0.00 H new ATOM 0 HB THR A 85 -17.910 -2.938 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.476 -5.252 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.710 -4.834 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.078 -3.543 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 85 -17.099 -4.997 0.924 1.00 0.00 H new ATOM 1161 N VAL A 86 -14.719 -1.949 0.325 1.00 0.00 N ATOM 1162 CA VAL A 86 -14.561 -1.430 -1.023 1.00 0.00 C ATOM 1163 C VAL A 86 -13.552 -2.292 -1.783 1.00 0.00 C ATOM 1164 O VAL A 86 -12.572 -2.761 -1.205 1.00 0.00 O ATOM 1165 CB VAL A 86 -14.166 0.048 -0.971 1.00 0.00 C ATOM 1166 CG1 VAL A 86 -12.713 0.211 -0.523 1.00 0.00 C ATOM 1167 CG2 VAL A 86 -14.403 0.726 -2.322 1.00 0.00 C ATOM 0 H VAL A 86 -13.855 -2.007 0.863 1.00 0.00 H new ATOM 0 HA VAL A 86 -15.505 -1.482 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 86 -14.801 0.539 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.458 1.270 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.588 -0.219 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.056 -0.302 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.114 1.775 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.805 0.231 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.459 0.655 -2.584 1.00 0.00 H new ATOM 1177 N ASP A 87 -13.826 -2.476 -3.066 1.00 0.00 N ATOM 1178 CA ASP A 87 -12.954 -3.273 -3.911 1.00 0.00 C ATOM 1179 C ASP A 87 -11.780 -2.412 -4.382 1.00 0.00 C ATOM 1180 O ASP A 87 -11.973 -1.433 -5.102 1.00 0.00 O ATOM 1181 CB ASP A 87 -13.697 -3.778 -5.149 1.00 0.00 C ATOM 1182 CG ASP A 87 -15.222 -3.801 -5.023 1.00 0.00 C ATOM 1183 OD1 ASP A 87 -15.859 -2.956 -5.687 1.00 0.00 O ATOM 1184 OD2 ASP A 87 -15.715 -4.665 -4.266 1.00 0.00 O ATOM 0 H ASP A 87 -14.640 -2.086 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.606 -4.125 -3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.427 -3.150 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.351 -4.786 -5.376 1.00 0.00 H new ATOM 1190 N CYS A 88 -10.590 -2.808 -3.957 1.00 0.00 N ATOM 1191 CA CYS A 88 -9.385 -2.084 -4.327 1.00 0.00 C ATOM 1192 C CYS A 88 -9.212 -2.182 -5.844 1.00 0.00 C ATOM 1193 O CYS A 88 -8.900 -1.190 -6.501 1.00 0.00 O ATOM 1194 CB CYS A 88 -8.158 -2.609 -3.577 1.00 0.00 C ATOM 1195 SG CYS A 88 -7.850 -1.816 -1.958 1.00 0.00 S ATOM 0 H CYS A 88 -10.434 -3.620 -3.360 1.00 0.00 H new ATOM 0 HA CYS A 88 -9.484 -1.037 -4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -8.275 -3.682 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -7.279 -2.471 -4.206 1.00 0.00 H new ATOM 1200 N THR A 89 -9.423 -3.386 -6.354 1.00 0.00 N ATOM 1201 CA THR A 89 -9.294 -3.625 -7.782 1.00 0.00 C ATOM 1202 C THR A 89 -10.123 -2.609 -8.570 1.00 0.00 C ATOM 1203 O THR A 89 -9.870 -2.379 -9.752 1.00 0.00 O ATOM 1204 CB THR A 89 -9.694 -5.076 -8.055 1.00 0.00 C ATOM 1205 OG1 THR A 89 -9.774 -5.154 -9.476 1.00 0.00 O ATOM 1206 CG2 THR A 89 -11.115 -5.391 -7.585 1.00 0.00 C ATOM 0 H THR A 89 -9.682 -4.206 -5.805 1.00 0.00 H new ATOM 0 HA THR A 89 -8.265 -3.487 -8.115 1.00 0.00 H new ATOM 0 HB THR A 89 -8.991 -5.744 -7.558 1.00 0.00 H new ATOM 0 HG1 THR A 89 -9.264 -5.929 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.348 -6.433 -7.803 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.190 -5.219 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 89 -11.822 -4.745 -8.106 1.00 0.00 H new ATOM 1214 N THR A 90 -11.095 -2.027 -7.884 1.00 0.00 N ATOM 1215 CA THR A 90 -11.961 -1.040 -8.505 1.00 0.00 C ATOM 1216 C THR A 90 -11.348 0.357 -8.390 1.00 0.00 C ATOM 1217 O THR A 90 -11.753 1.277 -9.099 1.00 0.00 O ATOM 1218 CB THR A 90 -13.344 -1.150 -7.859 1.00 0.00 C ATOM 1219 OG1 THR A 90 -13.861 -2.383 -8.353 1.00 0.00 O ATOM 1220 CG2 THR A 90 -14.323 -0.099 -8.385 1.00 0.00 C ATOM 0 H THR A 90 -11.302 -2.220 -6.904 1.00 0.00 H new ATOM 0 HA THR A 90 -12.069 -1.227 -9.573 1.00 0.00 H new ATOM 0 HB THR A 90 -13.248 -1.047 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.756 -2.535 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.288 -0.222 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.934 0.898 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.445 -0.222 -9.461 1.00 0.00 H new ATOM 1228 N ALA A 91 -10.380 0.471 -7.493 1.00 0.00 N ATOM 1229 CA ALA A 91 -9.706 1.740 -7.277 1.00 0.00 C ATOM 1230 C ALA A 91 -8.193 1.531 -7.368 1.00 0.00 C ATOM 1231 O ALA A 91 -7.418 2.380 -6.931 1.00 0.00 O ATOM 1232 CB ALA A 91 -10.134 2.322 -5.927 1.00 0.00 C ATOM 0 H ALA A 91 -10.046 -0.294 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.986 2.459 -8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.629 3.274 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.213 2.479 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.866 1.628 -5.130 1.00 0.00 H new ATOM 1238 N ALA A 92 -7.818 0.395 -7.939 1.00 0.00 N ATOM 1239 CA ALA A 92 -6.412 0.063 -8.093 1.00 0.00 C ATOM 1240 C ALA A 92 -5.634 0.587 -6.883 1.00 0.00 C ATOM 1241 O ALA A 92 -4.803 1.484 -7.016 1.00 0.00 O ATOM 1242 CB ALA A 92 -5.894 0.639 -9.412 1.00 0.00 C ATOM 0 H ALA A 92 -8.464 -0.307 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.274 -1.018 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.839 0.390 -9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.460 0.215 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.013 1.722 -9.408 1.00 0.00 H new ATOM 1248 N CYS A 93 -5.930 0.002 -5.732 1.00 0.00 N ATOM 1249 CA CYS A 93 -5.268 0.398 -4.500 1.00 0.00 C ATOM 1250 C CYS A 93 -3.757 0.325 -4.723 1.00 0.00 C ATOM 1251 O CYS A 93 -3.301 -0.093 -5.786 1.00 0.00 O ATOM 1252 CB CYS A 93 -5.714 -0.464 -3.317 1.00 0.00 C ATOM 1253 SG CYS A 93 -7.380 -0.075 -2.668 1.00 0.00 S ATOM 0 H CYS A 93 -6.619 -0.743 -5.626 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.547 1.420 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -5.693 -1.511 -3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.990 -0.351 -2.510 1.00 0.00 H new ATOM 1258 N GLN A 94 -3.020 0.737 -3.700 1.00 0.00 N ATOM 1259 CA GLN A 94 -1.569 0.723 -3.771 1.00 0.00 C ATOM 1260 C GLN A 94 -0.976 0.300 -2.425 1.00 0.00 C ATOM 1261 O GLN A 94 -1.609 0.468 -1.384 1.00 0.00 O ATOM 1262 CB GLN A 94 -1.028 2.088 -4.203 1.00 0.00 C ATOM 1263 CG GLN A 94 -1.289 3.146 -3.129 1.00 0.00 C ATOM 1264 CD GLN A 94 -2.712 3.698 -3.238 1.00 0.00 C ATOM 1265 OE1 GLN A 94 -3.562 3.162 -3.929 1.00 0.00 O ATOM 1266 NE2 GLN A 94 -2.922 4.797 -2.519 1.00 0.00 N ATOM 0 H GLN A 94 -3.401 1.082 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.269 -0.006 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.043 2.015 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.499 2.390 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.138 2.711 -2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.571 3.959 -3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.166 5.194 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.839 5.243 -2.525 1.00 0.00 H new ATOM 1275 N VAL A 95 0.231 -0.242 -2.491 1.00 0.00 N ATOM 1276 CA VAL A 95 0.916 -0.692 -1.291 1.00 0.00 C ATOM 1277 C VAL A 95 2.245 0.056 -1.157 1.00 0.00 C ATOM 1278 O VAL A 95 3.221 -0.282 -1.826 1.00 0.00 O ATOM 1279 CB VAL A 95 1.085 -2.211 -1.323 1.00 0.00 C ATOM 1280 CG1 VAL A 95 2.105 -2.627 -2.385 1.00 0.00 C ATOM 1281 CG2 VAL A 95 1.478 -2.748 0.055 1.00 0.00 C ATOM 0 H VAL A 95 0.752 -0.380 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 95 0.324 -0.464 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 95 0.124 -2.649 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.206 -3.712 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.766 -2.293 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.070 -2.173 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.592 -3.831 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.421 -2.298 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.701 -2.498 0.778 1.00 0.00 H new ATOM 1291 N GLY A 96 2.240 1.057 -0.289 1.00 0.00 N ATOM 1292 CA GLY A 96 3.433 1.854 -0.060 1.00 0.00 C ATOM 1293 C GLY A 96 4.013 1.584 1.330 1.00 0.00 C ATOM 1294 O GLY A 96 3.346 1.000 2.183 1.00 0.00 O ATOM 0 H GLY A 96 1.429 1.334 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.180 1.625 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.192 2.913 -0.158 1.00 0.00 H new ATOM 1298 N LEU A 97 5.250 2.024 1.515 1.00 0.00 N ATOM 1299 CA LEU A 97 5.928 1.837 2.787 1.00 0.00 C ATOM 1300 C LEU A 97 5.959 3.167 3.543 1.00 0.00 C ATOM 1301 O LEU A 97 6.124 4.225 2.938 1.00 0.00 O ATOM 1302 CB LEU A 97 7.311 1.219 2.571 1.00 0.00 C ATOM 1303 CG LEU A 97 7.343 -0.297 2.361 1.00 0.00 C ATOM 1304 CD1 LEU A 97 6.362 -1.002 3.301 1.00 0.00 C ATOM 1305 CD2 LEU A 97 7.089 -0.653 0.895 1.00 0.00 C ATOM 0 H LEU A 97 5.800 2.509 0.806 1.00 0.00 H new ATOM 0 HA LEU A 97 5.382 1.128 3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.769 1.696 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.933 1.460 3.433 1.00 0.00 H new ATOM 0 HG LEU A 97 8.342 -0.655 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.405 -2.078 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.631 -0.787 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.351 -0.644 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.117 -1.736 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.110 -0.279 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.858 -0.198 0.271 1.00 0.00 H new ATOM 1317 N SER A 98 5.799 3.068 4.854 1.00 0.00 N ATOM 1318 CA SER A 98 5.808 4.251 5.699 1.00 0.00 C ATOM 1319 C SER A 98 6.944 4.156 6.720 1.00 0.00 C ATOM 1320 O SER A 98 7.241 3.075 7.225 1.00 0.00 O ATOM 1321 CB SER A 98 4.465 4.425 6.414 1.00 0.00 C ATOM 1322 OG SER A 98 3.790 5.610 5.998 1.00 0.00 O ATOM 0 H SER A 98 5.662 2.188 5.352 1.00 0.00 H new ATOM 0 HA SER A 98 5.969 5.124 5.066 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.833 3.559 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.629 4.460 7.491 1.00 0.00 H new ATOM 0 HG SER A 98 2.937 5.685 6.475 1.00 0.00 H new ATOM 1328 N ASP A 99 7.548 5.304 6.992 1.00 0.00 N ATOM 1329 CA ASP A 99 8.645 5.364 7.944 1.00 0.00 C ATOM 1330 C ASP A 99 8.161 6.033 9.232 1.00 0.00 C ATOM 1331 O ASP A 99 6.997 6.417 9.336 1.00 0.00 O ATOM 1332 CB ASP A 99 9.808 6.190 7.390 1.00 0.00 C ATOM 1333 CG ASP A 99 9.472 7.040 6.163 1.00 0.00 C ATOM 1334 OD1 ASP A 99 9.159 8.232 6.368 1.00 0.00 O ATOM 1335 OD2 ASP A 99 9.535 6.478 5.048 1.00 0.00 O ATOM 0 H ASP A 99 7.299 6.199 6.570 1.00 0.00 H new ATOM 0 HA ASP A 99 8.983 4.346 8.135 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.175 6.847 8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.624 5.514 7.133 1.00 0.00 H new ATOM 1368 N ASN A 103 7.017 9.711 5.772 1.00 0.00 N ATOM 1369 CA ASN A 103 7.416 10.099 4.431 1.00 0.00 C ATOM 1370 C ASN A 103 6.173 10.228 3.549 1.00 0.00 C ATOM 1371 O ASN A 103 5.048 10.157 4.042 1.00 0.00 O ATOM 1372 CB ASN A 103 8.333 9.046 3.803 1.00 0.00 C ATOM 1373 CG ASN A 103 9.784 9.530 3.774 1.00 0.00 C ATOM 1374 OD1 ASN A 103 10.141 10.539 4.359 1.00 0.00 O ATOM 1375 ND2 ASN A 103 10.598 8.757 3.060 1.00 0.00 N ATOM 0 HA ASN A 103 7.948 11.048 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.267 8.117 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.999 8.826 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.586 8.996 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.234 7.925 2.595 1.00 0.00 H new ATOM 1382 N GLY A 104 6.417 10.415 2.260 1.00 0.00 N ATOM 1383 CA GLY A 104 5.330 10.556 1.306 1.00 0.00 C ATOM 1384 C GLY A 104 4.486 9.280 1.244 1.00 0.00 C ATOM 1385 O GLY A 104 5.004 8.180 1.428 1.00 0.00 O ATOM 0 H GLY A 104 7.351 10.472 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.700 11.400 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.735 10.777 0.318 1.00 0.00 H new ATOM 1389 N PRO A 105 3.167 9.476 0.979 1.00 0.00 N ATOM 1390 CA PRO A 105 2.247 8.355 0.891 1.00 0.00 C ATOM 1391 C PRO A 105 2.434 7.595 -0.423 1.00 0.00 C ATOM 1392 O PRO A 105 3.472 7.713 -1.071 1.00 0.00 O ATOM 1393 CB PRO A 105 0.863 8.970 1.030 1.00 0.00 C ATOM 1394 CG PRO A 105 1.032 10.449 0.725 1.00 0.00 C ATOM 1395 CD PRO A 105 2.519 10.765 0.758 1.00 0.00 C ATOM 0 HA PRO A 105 2.417 7.609 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.159 8.507 0.339 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.469 8.821 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.613 10.688 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.497 11.053 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.848 11.219 -0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.757 11.469 1.555 1.00 0.00 H new ATOM 1403 N GLU A 106 1.412 6.830 -0.777 1.00 0.00 N ATOM 1404 CA GLU A 106 1.449 6.050 -2.003 1.00 0.00 C ATOM 1405 C GLU A 106 2.620 5.065 -1.968 1.00 0.00 C ATOM 1406 O GLU A 106 3.295 4.932 -0.949 1.00 0.00 O ATOM 1407 CB GLU A 106 1.534 6.960 -3.229 1.00 0.00 C ATOM 1408 CG GLU A 106 0.186 7.040 -3.947 1.00 0.00 C ATOM 1409 CD GLU A 106 0.376 7.246 -5.452 1.00 0.00 C ATOM 1410 OE1 GLU A 106 1.428 6.799 -5.956 1.00 0.00 O ATOM 1411 OE2 GLU A 106 -0.534 7.846 -6.062 1.00 0.00 O ATOM 0 H GLU A 106 0.553 6.733 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 106 0.522 5.481 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.847 7.958 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.293 6.583 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.379 6.125 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.401 7.861 -3.535 1.00 0.00 H new ATOM 1419 N GLY A 107 2.825 4.399 -3.096 1.00 0.00 N ATOM 1420 CA GLY A 107 3.901 3.430 -3.207 1.00 0.00 C ATOM 1421 C GLY A 107 3.878 2.739 -4.572 1.00 0.00 C ATOM 1422 O GLY A 107 4.884 2.717 -5.278 1.00 0.00 O ATOM 0 H GLY A 107 2.264 4.512 -3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.860 3.928 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.807 2.685 -2.417 1.00 0.00 H new ATOM 1426 N VAL A 108 2.717 2.191 -4.901 1.00 0.00 N ATOM 1427 CA VAL A 108 2.548 1.501 -6.169 1.00 0.00 C ATOM 1428 C VAL A 108 1.115 0.977 -6.273 1.00 0.00 C ATOM 1429 O VAL A 108 0.677 0.185 -5.441 1.00 0.00 O ATOM 1430 CB VAL A 108 3.599 0.397 -6.308 1.00 0.00 C ATOM 1431 CG1 VAL A 108 3.752 -0.382 -4.999 1.00 0.00 C ATOM 1432 CG2 VAL A 108 3.260 -0.541 -7.467 1.00 0.00 C ATOM 0 H VAL A 108 1.885 2.211 -4.312 1.00 0.00 H new ATOM 0 HA VAL A 108 2.704 2.188 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 108 4.555 0.871 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.505 -1.160 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.062 0.298 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.798 -0.839 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.023 -1.316 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.289 -1.004 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.226 0.027 -8.397 1.00 0.00 H new ATOM 1442 N ALA A 109 0.422 1.442 -7.303 1.00 0.00 N ATOM 1443 CA ALA A 109 -0.952 1.031 -7.527 1.00 0.00 C ATOM 1444 C ALA A 109 -0.968 -0.242 -8.376 1.00 0.00 C ATOM 1445 O ALA A 109 -0.595 -0.216 -9.548 1.00 0.00 O ATOM 1446 CB ALA A 109 -1.728 2.176 -8.180 1.00 0.00 C ATOM 0 H ALA A 109 0.788 2.100 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.442 0.802 -6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.760 1.867 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.712 3.047 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.266 2.431 -9.134 1.00 0.00 H new ATOM 1452 N ILE A 110 -1.404 -1.327 -7.751 1.00 0.00 N ATOM 1453 CA ILE A 110 -1.473 -2.607 -8.434 1.00 0.00 C ATOM 1454 C ILE A 110 -2.937 -3.032 -8.566 1.00 0.00 C ATOM 1455 O ILE A 110 -3.776 -2.635 -7.759 1.00 0.00 O ATOM 1456 CB ILE A 110 -0.594 -3.641 -7.726 1.00 0.00 C ATOM 1457 CG1 ILE A 110 0.890 -3.344 -7.950 1.00 0.00 C ATOM 1458 CG2 ILE A 110 -0.966 -5.062 -8.154 1.00 0.00 C ATOM 1459 CD1 ILE A 110 1.679 -3.476 -6.646 1.00 0.00 C ATOM 0 H ILE A 110 -1.713 -1.345 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 110 -1.073 -2.521 -9.444 1.00 0.00 H new ATOM 0 HB ILE A 110 -0.778 -3.570 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 110 1.294 -4.031 -8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.007 -2.336 -8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.327 -5.777 -7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.008 -5.257 -7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.829 -5.165 -9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.731 -3.260 -6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.289 -2.771 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.580 -4.491 -6.262 1.00 0.00 H new ATOM 1471 N SER A 111 -3.198 -3.833 -9.589 1.00 0.00 N ATOM 1472 CA SER A 111 -4.546 -4.315 -9.836 1.00 0.00 C ATOM 1473 C SER A 111 -4.707 -5.728 -9.272 1.00 0.00 C ATOM 1474 O SER A 111 -3.958 -6.634 -9.632 1.00 0.00 O ATOM 1475 CB SER A 111 -4.869 -4.302 -11.332 1.00 0.00 C ATOM 1476 OG SER A 111 -5.609 -3.143 -11.708 1.00 0.00 O ATOM 0 H SER A 111 -2.499 -4.160 -10.256 1.00 0.00 H new ATOM 0 HA SER A 111 -5.246 -3.647 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.942 -4.341 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 111 -5.439 -5.195 -11.588 1.00 0.00 H new ATOM 0 HG SER A 111 -5.794 -3.171 -12.670 1.00 0.00 H new ATOM 1482 N PHE A 112 -5.691 -5.871 -8.394 1.00 0.00 N ATOM 1483 CA PHE A 112 -5.960 -7.157 -7.776 1.00 0.00 C ATOM 1484 C PHE A 112 -6.974 -7.958 -8.596 1.00 0.00 C ATOM 1485 O PHE A 112 -8.057 -7.463 -8.905 1.00 0.00 O ATOM 1486 CB PHE A 112 -6.551 -6.873 -6.393 1.00 0.00 C ATOM 1487 CG PHE A 112 -5.835 -5.757 -5.628 1.00 0.00 C ATOM 1488 CD1 PHE A 112 -6.123 -4.456 -5.899 1.00 0.00 C ATOM 1489 CD2 PHE A 112 -4.914 -6.066 -4.678 1.00 0.00 C ATOM 1490 CE1 PHE A 112 -5.460 -3.420 -5.190 1.00 0.00 C ATOM 1491 CE2 PHE A 112 -4.250 -5.030 -3.968 1.00 0.00 C ATOM 1492 CZ PHE A 112 -4.538 -3.729 -4.240 1.00 0.00 C ATOM 0 H PHE A 112 -6.310 -5.117 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 112 -5.041 -7.740 -7.714 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -7.602 -6.606 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -6.516 -7.787 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -6.856 -4.211 -6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.687 -7.100 -4.463 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.688 -2.387 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.517 -5.275 -3.213 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.034 -2.941 -3.701 1.00 0.00 H new ATOM 1502 N ASN A 113 -6.587 -9.182 -8.924 1.00 0.00 N ATOM 1503 CA ASN A 113 -7.449 -10.055 -9.701 1.00 0.00 C ATOM 1504 C ASN A 113 -8.151 -9.238 -10.788 1.00 0.00 C ATOM 1505 O ASN A 113 -7.815 -9.345 -11.965 1.00 0.00 O ATOM 1506 CB ASN A 113 -8.524 -10.694 -8.820 1.00 0.00 C ATOM 1507 CG ASN A 113 -8.388 -12.219 -8.807 1.00 0.00 C ATOM 1508 OD1 ASN A 113 -7.582 -12.802 -9.512 1.00 0.00 O ATOM 1509 ND2 ASN A 113 -9.220 -12.828 -7.967 1.00 0.00 N ATOM 0 H ASN A 113 -5.688 -9.589 -8.666 1.00 0.00 H new ATOM 0 HA ASN A 113 -6.829 -10.838 -10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.442 -10.309 -7.803 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -9.512 -10.417 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.208 -13.845 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.870 -12.278 -7.405 1.00 0.00 H new