USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 83 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= -0.0063 USER MOD Set 1.3: A 86 THR OG1 : rot -67:sc= 1.54 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -90:sc= 1.01 USER MOD Single : A 25 SER OG : rot 180:sc= 0.344 USER MOD Single : A 27 GLN : amide:sc=-0.000534 K(o=-0.00053,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.0155 (180deg=0.015) USER MOD Single : A 40 ASN : amide:sc= -0.242 K(o=-0.24,f=-4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 97:sc= 0.0803 USER MOD Single : A 58 SER OG : rot 38:sc= 0.798 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.637 K(o=-0.64,f=-3.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.68) USER MOD Single : A 66 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.892 K(o=-0.89,f=-0.28) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -167:sc=-0.00171 (180deg=-0.0686) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0244 USER MOD Single : A 87 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.335 -0.190 -0.257 1.00 0.00 N ATOM 2 CA ALA A 1 2.021 -0.118 -1.541 1.00 0.00 C ATOM 3 C ALA A 1 2.746 1.214 -1.702 1.00 0.00 C ATOM 4 O ALA A 1 2.116 2.255 -1.892 1.00 0.00 O ATOM 5 CB ALA A 1 1.033 -0.325 -2.679 1.00 0.00 C ATOM 0 H1 ALA A 1 0.850 -1.106 -0.173 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.028 -0.093 0.513 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.637 0.578 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 1 2.766 -0.913 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.559 -0.269 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.564 -1.304 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.267 0.449 -2.641 1.00 0.00 H new ATOM 11 N ILE A 2 4.072 1.173 -1.625 1.00 0.00 N ATOM 12 CA ILE A 2 4.881 2.378 -1.763 1.00 0.00 C ATOM 13 C ILE A 2 4.951 2.830 -3.218 1.00 0.00 C ATOM 14 O ILE A 2 5.432 2.099 -4.084 1.00 0.00 O ATOM 15 CB ILE A 2 6.312 2.157 -1.237 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.284 1.820 0.255 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.165 3.391 -1.491 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.085 0.347 0.538 1.00 0.00 C ATOM 0 H ILE A 2 4.608 0.320 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 2 4.398 3.153 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 2 6.755 1.316 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.219 2.146 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.483 2.385 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.173 3.220 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.207 3.590 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.727 4.248 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.076 0.182 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.137 0.020 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.899 -0.223 0.091 1.00 0.00 H new ATOM 30 N SER A 3 4.467 4.040 -3.479 1.00 0.00 N ATOM 31 CA SER A 3 4.472 4.590 -4.830 1.00 0.00 C ATOM 32 C SER A 3 5.700 5.468 -5.054 1.00 0.00 C ATOM 33 O SER A 3 6.647 5.070 -5.734 1.00 0.00 O ATOM 34 CB SER A 3 3.199 5.400 -5.078 1.00 0.00 C ATOM 35 OG SER A 3 3.414 6.400 -6.059 1.00 0.00 O ATOM 0 H SER A 3 4.067 4.658 -2.773 1.00 0.00 H new ATOM 0 HA SER A 3 4.508 3.759 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.398 4.735 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.872 5.863 -4.147 1.00 0.00 H new ATOM 0 HG SER A 3 2.585 6.903 -6.201 1.00 0.00 H new ATOM 41 N CYS A 4 5.676 6.665 -4.479 1.00 0.00 N ATOM 42 CA CYS A 4 6.785 7.602 -4.615 1.00 0.00 C ATOM 43 C CYS A 4 6.546 8.853 -3.774 1.00 0.00 C ATOM 44 O CYS A 4 7.465 9.376 -3.145 1.00 0.00 O ATOM 45 CB CYS A 4 6.975 7.989 -6.083 1.00 0.00 C ATOM 46 SG CYS A 4 8.710 7.968 -6.638 1.00 0.00 S ATOM 0 H CYS A 4 4.900 7.010 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 4 7.690 7.111 -4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.397 7.306 -6.706 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.566 8.987 -6.241 1.00 0.00 H new ATOM 51 N GLY A 5 5.304 9.328 -3.769 1.00 0.00 N ATOM 52 CA GLY A 5 4.966 10.513 -3.003 1.00 0.00 C ATOM 53 C GLY A 5 5.332 10.380 -1.538 1.00 0.00 C ATOM 54 O GLY A 5 5.710 11.358 -0.894 1.00 0.00 O ATOM 0 H GLY A 5 4.526 8.913 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.482 11.375 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.897 10.706 -3.091 1.00 0.00 H new ATOM 58 N ALA A 6 5.217 9.166 -1.009 1.00 0.00 N ATOM 59 CA ALA A 6 5.538 8.909 0.389 1.00 0.00 C ATOM 60 C ALA A 6 7.047 8.845 0.603 1.00 0.00 C ATOM 61 O ALA A 6 7.543 9.139 1.691 1.00 0.00 O ATOM 62 CB ALA A 6 4.882 7.617 0.852 1.00 0.00 C ATOM 0 H ALA A 6 4.904 8.345 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 6 5.148 9.735 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.130 7.437 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.800 7.699 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.245 6.787 0.245 1.00 0.00 H new ATOM 68 N VAL A 7 7.772 8.457 -0.442 1.00 0.00 N ATOM 69 CA VAL A 7 9.224 8.354 -0.368 1.00 0.00 C ATOM 70 C VAL A 7 9.875 9.733 -0.389 1.00 0.00 C ATOM 71 O VAL A 7 10.809 10.003 0.366 1.00 0.00 O ATOM 72 CB VAL A 7 9.787 7.516 -1.532 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.297 7.379 -1.409 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.121 6.149 -1.574 1.00 0.00 C ATOM 0 H VAL A 7 7.377 8.209 -1.349 1.00 0.00 H new ATOM 0 HA VAL A 7 9.458 7.859 0.574 1.00 0.00 H new ATOM 0 HB VAL A 7 9.568 8.031 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.677 6.784 -2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.755 8.368 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.542 6.887 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.530 5.570 -2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.308 5.624 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.047 6.272 -1.713 1.00 0.00 H new ATOM 84 N THR A 8 9.373 10.605 -1.258 1.00 0.00 N ATOM 85 CA THR A 8 9.905 11.957 -1.378 1.00 0.00 C ATOM 86 C THR A 8 9.654 12.761 -0.108 1.00 0.00 C ATOM 87 O THR A 8 10.336 13.751 0.157 1.00 0.00 O ATOM 88 CB THR A 8 9.284 12.701 -2.575 1.00 0.00 C ATOM 89 OG1 THR A 8 9.231 11.837 -3.715 1.00 0.00 O ATOM 90 CG2 THR A 8 10.087 13.947 -2.913 1.00 0.00 C ATOM 0 H THR A 8 8.599 10.399 -1.889 1.00 0.00 H new ATOM 0 HA THR A 8 10.979 11.861 -1.537 1.00 0.00 H new ATOM 0 HB THR A 8 8.273 13.003 -2.302 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.833 12.317 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.629 14.456 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.100 14.616 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.108 13.664 -3.168 1.00 0.00 H new ATOM 98 N SER A 9 8.671 12.330 0.676 1.00 0.00 N ATOM 99 CA SER A 9 8.327 13.013 1.918 1.00 0.00 C ATOM 100 C SER A 9 9.507 13.007 2.885 1.00 0.00 C ATOM 101 O SER A 9 9.901 14.050 3.406 1.00 0.00 O ATOM 102 CB SER A 9 7.114 12.348 2.571 1.00 0.00 C ATOM 103 OG SER A 9 6.354 13.288 3.311 1.00 0.00 O ATOM 0 H SER A 9 8.098 11.511 0.473 1.00 0.00 H new ATOM 0 HA SER A 9 8.080 14.048 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.488 11.893 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.446 11.545 3.229 1.00 0.00 H new ATOM 0 HG SER A 9 5.584 12.839 3.717 1.00 0.00 H new ATOM 109 N ASP A 10 10.066 11.825 3.119 1.00 0.00 N ATOM 110 CA ASP A 10 11.202 11.682 4.023 1.00 0.00 C ATOM 111 C ASP A 10 12.484 12.185 3.367 1.00 0.00 C ATOM 112 O ASP A 10 13.459 12.505 4.049 1.00 0.00 O ATOM 113 CB ASP A 10 11.368 10.220 4.440 1.00 0.00 C ATOM 114 CG ASP A 10 10.038 9.533 4.683 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.119 10.190 5.216 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.916 8.339 4.339 1.00 0.00 O ATOM 0 H ASP A 10 9.751 10.952 2.696 1.00 0.00 H new ATOM 0 HA ASP A 10 11.008 12.285 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.914 9.684 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.971 10.170 5.347 1.00 0.00 H new ATOM 121 N LEU A 11 12.478 12.251 2.040 1.00 0.00 N ATOM 122 CA LEU A 11 13.641 12.714 1.292 1.00 0.00 C ATOM 123 C LEU A 11 13.856 14.211 1.491 1.00 0.00 C ATOM 124 O LEU A 11 14.992 14.684 1.538 1.00 0.00 O ATOM 125 CB LEU A 11 13.471 12.405 -0.197 1.00 0.00 C ATOM 126 CG LEU A 11 13.707 10.953 -0.612 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.383 10.760 -2.085 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.143 10.542 -0.321 1.00 0.00 C ATOM 0 H LEU A 11 11.681 11.990 1.460 1.00 0.00 H new ATOM 0 HA LEU A 11 14.518 12.187 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.461 12.687 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.156 13.039 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 11 13.043 10.315 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.557 9.720 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.338 11.013 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.021 11.408 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.293 9.505 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.825 11.184 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.341 10.641 0.746 1.00 0.00 H new ATOM 140 N SER A 12 12.758 14.951 1.610 1.00 0.00 N ATOM 141 CA SER A 12 12.826 16.395 1.803 1.00 0.00 C ATOM 142 C SER A 12 13.709 16.742 2.997 1.00 0.00 C ATOM 143 O SER A 12 14.696 17.469 2.882 1.00 0.00 O ATOM 144 CB SER A 12 11.424 16.970 2.006 1.00 0.00 C ATOM 145 OG SER A 12 10.844 17.351 0.770 1.00 0.00 O ATOM 0 H SER A 12 11.811 14.574 1.576 1.00 0.00 H new ATOM 0 HA SER A 12 13.265 16.836 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.791 16.229 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.474 17.834 2.669 1.00 0.00 H new ATOM 0 HG SER A 12 9.947 17.714 0.927 1.00 0.00 H new ATOM 151 N PRO A 13 13.347 16.210 4.174 1.00 0.00 N ATOM 152 CA PRO A 13 14.092 16.449 5.414 1.00 0.00 C ATOM 153 C PRO A 13 15.455 15.764 5.412 1.00 0.00 C ATOM 154 O PRO A 13 16.371 16.179 6.122 1.00 0.00 O ATOM 155 CB PRO A 13 13.190 15.843 6.492 1.00 0.00 C ATOM 156 CG PRO A 13 12.389 14.809 5.779 1.00 0.00 C ATOM 157 CD PRO A 13 12.182 15.334 4.385 1.00 0.00 C ATOM 0 HA PRO A 13 14.306 17.507 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.777 15.403 7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.548 16.600 6.942 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.912 13.853 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.435 14.641 6.279 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.148 14.527 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.245 15.884 4.298 1.00 0.00 H new ATOM 165 N CYS A 14 15.582 14.712 4.610 1.00 0.00 N ATOM 166 CA CYS A 14 16.832 13.968 4.516 1.00 0.00 C ATOM 167 C CYS A 14 17.794 14.644 3.542 1.00 0.00 C ATOM 168 O CYS A 14 18.991 14.354 3.533 1.00 0.00 O ATOM 169 CB CYS A 14 16.563 12.530 4.068 1.00 0.00 C ATOM 170 SG CYS A 14 15.948 11.442 5.394 1.00 0.00 S ATOM 0 H CYS A 14 14.834 14.356 4.016 1.00 0.00 H new ATOM 0 HA CYS A 14 17.292 13.953 5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.835 12.543 3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.483 12.108 3.664 1.00 0.00 H new ATOM 175 N LEU A 15 17.263 15.545 2.724 1.00 0.00 N ATOM 176 CA LEU A 15 18.073 16.263 1.746 1.00 0.00 C ATOM 177 C LEU A 15 19.087 17.168 2.438 1.00 0.00 C ATOM 178 O LEU A 15 20.267 17.183 2.085 1.00 0.00 O ATOM 179 CB LEU A 15 17.179 17.092 0.823 1.00 0.00 C ATOM 180 CG LEU A 15 16.707 16.398 -0.455 1.00 0.00 C ATOM 181 CD1 LEU A 15 15.845 17.337 -1.285 1.00 0.00 C ATOM 182 CD2 LEU A 15 17.897 15.906 -1.266 1.00 0.00 C ATOM 0 H LEU A 15 16.274 15.796 2.718 1.00 0.00 H new ATOM 0 HA LEU A 15 18.616 15.528 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.301 17.407 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.719 17.996 0.543 1.00 0.00 H new ATOM 0 HG LEU A 15 16.103 15.535 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.518 16.826 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.973 17.639 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.425 18.219 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.542 15.415 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.528 16.753 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.474 15.198 -0.672 1.00 0.00 H new ATOM 194 N THR A 16 18.620 17.922 3.429 1.00 0.00 N ATOM 195 CA THR A 16 19.486 18.830 4.172 1.00 0.00 C ATOM 196 C THR A 16 20.737 18.114 4.667 1.00 0.00 C ATOM 197 O THR A 16 21.834 18.672 4.643 1.00 0.00 O ATOM 198 CB THR A 16 18.750 19.447 5.376 1.00 0.00 C ATOM 199 OG1 THR A 16 17.534 20.067 4.943 1.00 0.00 O ATOM 200 CG2 THR A 16 19.627 20.474 6.077 1.00 0.00 C ATOM 0 H THR A 16 17.647 17.922 3.735 1.00 0.00 H new ATOM 0 HA THR A 16 19.775 19.626 3.485 1.00 0.00 H new ATOM 0 HB THR A 16 18.518 18.648 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.072 20.455 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.086 20.896 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.538 19.993 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 16 19.885 21.270 5.378 1.00 0.00 H new ATOM 208 N TYR A 17 20.565 16.875 5.116 1.00 0.00 N ATOM 209 CA TYR A 17 21.682 16.083 5.619 1.00 0.00 C ATOM 210 C TYR A 17 22.419 15.394 4.476 1.00 0.00 C ATOM 211 O TYR A 17 23.646 15.282 4.490 1.00 0.00 O ATOM 212 CB TYR A 17 21.184 15.041 6.622 1.00 0.00 C ATOM 213 CG TYR A 17 22.294 14.249 7.274 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.303 14.887 7.985 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.334 12.864 7.180 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.320 14.168 8.583 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.347 12.136 7.775 1.00 0.00 C ATOM 218 CZ TYR A 17 24.337 12.793 8.475 1.00 0.00 C ATOM 219 OH TYR A 17 25.348 12.072 9.069 1.00 0.00 O ATOM 0 H TYR A 17 19.664 16.398 5.142 1.00 0.00 H new ATOM 0 HA TYR A 17 22.376 16.757 6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.604 15.543 7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.509 14.353 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.292 15.963 8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.560 12.347 6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.097 14.679 9.132 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.363 11.059 7.692 1.00 0.00 H new ATOM 0 HH TYR A 17 25.212 11.116 8.899 1.00 0.00 H new ATOM 229 N LEU A 18 21.664 14.934 3.485 1.00 0.00 N ATOM 230 CA LEU A 18 22.244 14.256 2.331 1.00 0.00 C ATOM 231 C LEU A 18 23.048 15.229 1.475 1.00 0.00 C ATOM 232 O LEU A 18 23.787 14.820 0.578 1.00 0.00 O ATOM 233 CB LEU A 18 21.144 13.607 1.489 1.00 0.00 C ATOM 234 CG LEU A 18 20.717 12.200 1.910 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.589 11.697 1.024 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.902 11.247 1.862 1.00 0.00 C ATOM 0 H LEU A 18 20.648 15.018 3.457 1.00 0.00 H new ATOM 0 HA LEU A 18 22.917 13.481 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.267 14.254 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.482 13.568 0.454 1.00 0.00 H new ATOM 0 HG LEU A 18 20.353 12.243 2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.299 10.695 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.733 12.366 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.925 11.669 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.580 10.251 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.297 11.208 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.679 11.599 2.540 1.00 0.00 H new ATOM 248 N THR A 19 22.902 16.519 1.759 1.00 0.00 N ATOM 249 CA THR A 19 23.615 17.551 1.016 1.00 0.00 C ATOM 250 C THR A 19 24.912 17.936 1.718 1.00 0.00 C ATOM 251 O THR A 19 25.765 18.609 1.142 1.00 0.00 O ATOM 252 CB THR A 19 22.750 18.812 0.834 1.00 0.00 C ATOM 253 OG1 THR A 19 22.030 19.090 2.040 1.00 0.00 O ATOM 254 CG2 THR A 19 21.771 18.635 -0.317 1.00 0.00 C ATOM 0 H THR A 19 22.296 16.874 2.499 1.00 0.00 H new ATOM 0 HA THR A 19 23.845 17.133 0.036 1.00 0.00 H new ATOM 0 HB THR A 19 23.410 19.648 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.163 18.634 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.171 19.538 -0.426 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.323 18.452 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.117 17.788 -0.111 1.00 0.00 H new ATOM 262 N GLY A 20 25.055 17.503 2.967 1.00 0.00 N ATOM 263 CA GLY A 20 26.253 17.812 3.727 1.00 0.00 C ATOM 264 C GLY A 20 25.969 18.705 4.919 1.00 0.00 C ATOM 265 O GLY A 20 26.874 19.041 5.681 1.00 0.00 O ATOM 0 H GLY A 20 24.363 16.944 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.710 16.885 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 20 26.977 18.301 3.075 1.00 0.00 H new ATOM 269 N GLY A 21 24.707 19.091 5.080 1.00 0.00 N ATOM 270 CA GLY A 21 24.329 19.949 6.188 1.00 0.00 C ATOM 271 C GLY A 21 24.276 19.202 7.506 1.00 0.00 C ATOM 272 O GLY A 21 24.724 18.061 7.617 1.00 0.00 O ATOM 0 H GLY A 21 23.940 18.825 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.041 20.770 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.354 20.392 5.985 1.00 0.00 H new ATOM 276 N PRO A 22 23.717 19.854 8.537 1.00 0.00 N ATOM 277 CA PRO A 22 23.595 19.264 9.874 1.00 0.00 C ATOM 278 C PRO A 22 22.580 18.127 9.915 1.00 0.00 C ATOM 279 O PRO A 22 21.512 18.213 9.309 1.00 0.00 O ATOM 280 CB PRO A 22 23.121 20.435 10.737 1.00 0.00 C ATOM 281 CG PRO A 22 22.432 21.352 9.786 1.00 0.00 C ATOM 282 CD PRO A 22 23.161 21.216 8.478 1.00 0.00 C ATOM 0 HA PRO A 22 24.532 18.821 10.211 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.445 20.099 11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.959 20.930 11.227 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.381 21.083 9.677 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.462 22.381 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.489 21.339 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 22 23.945 21.966 8.375 1.00 0.00 H new ATOM 290 N GLY A 23 22.920 17.061 10.634 1.00 0.00 N ATOM 291 CA GLY A 23 22.027 15.922 10.740 1.00 0.00 C ATOM 292 C GLY A 23 22.732 14.677 11.240 1.00 0.00 C ATOM 293 O GLY A 23 23.846 14.735 11.760 1.00 0.00 O ATOM 0 H GLY A 23 23.798 16.966 11.145 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.208 16.168 11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.585 15.719 9.765 1.00 0.00 H new ATOM 297 N PRO A 24 22.076 13.518 11.083 1.00 0.00 N ATOM 298 CA PRO A 24 20.749 13.436 10.465 1.00 0.00 C ATOM 299 C PRO A 24 19.662 14.046 11.344 1.00 0.00 C ATOM 300 O PRO A 24 19.621 13.810 12.551 1.00 0.00 O ATOM 301 CB PRO A 24 20.524 11.931 10.305 1.00 0.00 C ATOM 302 CG PRO A 24 21.375 11.306 11.356 1.00 0.00 C ATOM 303 CD PRO A 24 22.578 12.197 11.499 1.00 0.00 C ATOM 0 HA PRO A 24 20.701 13.990 9.527 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.474 11.671 10.440 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.811 11.592 9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.834 11.226 12.299 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.669 10.296 11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.947 12.212 12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.402 11.864 10.868 1.00 0.00 H new ATOM 311 N SER A 25 18.782 14.831 10.729 1.00 0.00 N ATOM 312 CA SER A 25 17.696 15.478 11.457 1.00 0.00 C ATOM 313 C SER A 25 16.746 14.441 12.048 1.00 0.00 C ATOM 314 O SER A 25 16.740 13.273 11.659 1.00 0.00 O ATOM 315 CB SER A 25 16.927 16.423 10.532 1.00 0.00 C ATOM 316 OG SER A 25 15.811 15.770 9.950 1.00 0.00 O ATOM 0 H SER A 25 18.800 15.034 9.730 1.00 0.00 H new ATOM 0 HA SER A 25 18.130 16.054 12.274 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.590 17.294 11.095 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.589 16.787 9.747 1.00 0.00 H new ATOM 0 HG SER A 25 15.335 16.395 9.364 1.00 0.00 H new ATOM 322 N PRO A 26 15.922 14.878 13.013 1.00 0.00 N ATOM 323 CA PRO A 26 14.952 14.005 13.680 1.00 0.00 C ATOM 324 C PRO A 26 13.811 13.594 12.756 1.00 0.00 C ATOM 325 O PRO A 26 13.388 12.438 12.753 1.00 0.00 O ATOM 326 CB PRO A 26 14.425 14.871 14.827 1.00 0.00 C ATOM 327 CG PRO A 26 14.628 16.273 14.367 1.00 0.00 C ATOM 328 CD PRO A 26 15.875 16.257 13.527 1.00 0.00 C ATOM 0 HA PRO A 26 15.404 13.069 14.007 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.373 14.668 15.025 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.967 14.675 15.752 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.772 16.622 13.789 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.737 16.950 15.214 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.824 16.986 12.718 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.760 16.497 14.117 1.00 0.00 H new ATOM 336 N GLN A 27 13.317 14.548 11.973 1.00 0.00 N ATOM 337 CA GLN A 27 12.224 14.284 11.044 1.00 0.00 C ATOM 338 C GLN A 27 12.657 13.304 9.959 1.00 0.00 C ATOM 339 O GLN A 27 11.874 12.459 9.523 1.00 0.00 O ATOM 340 CB GLN A 27 11.741 15.588 10.407 1.00 0.00 C ATOM 341 CG GLN A 27 10.943 16.469 11.355 1.00 0.00 C ATOM 342 CD GLN A 27 10.817 17.896 10.859 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.313 18.238 9.785 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.150 18.738 11.640 1.00 0.00 N ATOM 0 H GLN A 27 13.656 15.510 11.963 1.00 0.00 H new ATOM 0 HA GLN A 27 11.404 13.837 11.605 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.604 16.147 10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.126 15.352 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.948 16.045 11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.422 16.470 12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.755 18.412 12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.032 19.711 11.358 1.00 0.00 H new ATOM 353 N CYS A 28 13.907 13.423 9.526 1.00 0.00 N ATOM 354 CA CYS A 28 14.445 12.549 8.490 1.00 0.00 C ATOM 355 C CYS A 28 14.502 11.103 8.975 1.00 0.00 C ATOM 356 O CYS A 28 14.040 10.188 8.292 1.00 0.00 O ATOM 357 CB CYS A 28 15.842 13.015 8.074 1.00 0.00 C ATOM 358 SG CYS A 28 16.783 11.782 7.118 1.00 0.00 S ATOM 0 H CYS A 28 14.567 14.117 9.877 1.00 0.00 H new ATOM 0 HA CYS A 28 13.781 12.599 7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.748 13.925 7.481 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.408 13.275 8.969 1.00 0.00 H new ATOM 363 N CYS A 29 15.073 10.904 10.158 1.00 0.00 N ATOM 364 CA CYS A 29 15.192 9.571 10.736 1.00 0.00 C ATOM 365 C CYS A 29 13.840 8.864 10.756 1.00 0.00 C ATOM 366 O CYS A 29 13.714 7.728 10.299 1.00 0.00 O ATOM 367 CB CYS A 29 15.757 9.655 12.155 1.00 0.00 C ATOM 368 SG CYS A 29 17.568 9.842 12.225 1.00 0.00 S ATOM 0 H CYS A 29 15.461 11.650 10.736 1.00 0.00 H new ATOM 0 HA CYS A 29 15.876 8.993 10.114 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.295 10.498 12.669 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.474 8.755 12.701 1.00 0.00 H new ATOM 373 N GLY A 30 12.830 9.545 11.290 1.00 0.00 N ATOM 374 CA GLY A 30 11.501 8.967 11.360 1.00 0.00 C ATOM 375 C GLY A 30 10.996 8.509 10.006 1.00 0.00 C ATOM 376 O GLY A 30 10.422 7.428 9.883 1.00 0.00 O ATOM 0 H GLY A 30 12.909 10.486 11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.512 8.120 12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.810 9.702 11.773 1.00 0.00 H new ATOM 380 N GLY A 31 11.207 9.336 8.986 1.00 0.00 N ATOM 381 CA GLY A 31 10.761 8.993 7.649 1.00 0.00 C ATOM 382 C GLY A 31 11.534 7.829 7.060 1.00 0.00 C ATOM 383 O GLY A 31 10.952 6.939 6.439 1.00 0.00 O ATOM 0 H GLY A 31 11.679 10.237 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.700 8.744 7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.868 9.862 7.000 1.00 0.00 H new ATOM 387 N VAL A 32 12.849 7.836 7.253 1.00 0.00 N ATOM 388 CA VAL A 32 13.703 6.773 6.737 1.00 0.00 C ATOM 389 C VAL A 32 13.222 5.405 7.207 1.00 0.00 C ATOM 390 O VAL A 32 12.892 4.538 6.397 1.00 0.00 O ATOM 391 CB VAL A 32 15.167 6.968 7.172 1.00 0.00 C ATOM 392 CG1 VAL A 32 16.048 5.874 6.588 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.667 8.344 6.757 1.00 0.00 C ATOM 0 H VAL A 32 13.346 8.566 7.763 1.00 0.00 H new ATOM 0 HA VAL A 32 13.646 6.821 5.650 1.00 0.00 H new ATOM 0 HB VAL A 32 15.217 6.900 8.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.079 6.028 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.702 4.902 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.995 5.907 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.703 8.465 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.604 8.443 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.053 9.112 7.228 1.00 0.00 H new ATOM 403 N LYS A 33 13.186 5.216 8.521 1.00 0.00 N ATOM 404 CA LYS A 33 12.744 3.954 9.102 1.00 0.00 C ATOM 405 C LYS A 33 11.320 3.624 8.667 1.00 0.00 C ATOM 406 O LYS A 33 10.906 2.464 8.687 1.00 0.00 O ATOM 407 CB LYS A 33 12.820 4.016 10.629 1.00 0.00 C ATOM 408 CG LYS A 33 14.212 3.757 11.180 1.00 0.00 C ATOM 409 CD LYS A 33 14.272 3.998 12.679 1.00 0.00 C ATOM 410 CE LYS A 33 15.091 2.927 13.383 1.00 0.00 C ATOM 411 NZ LYS A 33 14.285 2.188 14.394 1.00 0.00 N ATOM 0 H LYS A 33 13.458 5.922 9.205 1.00 0.00 H new ATOM 0 HA LYS A 33 13.407 3.167 8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.484 4.998 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.130 3.284 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.505 2.729 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.930 4.405 10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.708 4.978 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.261 4.012 13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.481 2.225 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.950 3.388 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.879 1.467 14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.933 2.854 15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.479 1.727 13.926 1.00 0.00 H new ATOM 425 N LYS A 34 10.574 4.650 8.271 1.00 0.00 N ATOM 426 CA LYS A 34 9.196 4.469 7.828 1.00 0.00 C ATOM 427 C LYS A 34 9.150 3.839 6.440 1.00 0.00 C ATOM 428 O LYS A 34 8.312 2.979 6.165 1.00 0.00 O ATOM 429 CB LYS A 34 8.463 5.812 7.815 1.00 0.00 C ATOM 430 CG LYS A 34 6.950 5.679 7.803 1.00 0.00 C ATOM 431 CD LYS A 34 6.317 6.408 8.976 1.00 0.00 C ATOM 432 CE LYS A 34 6.394 7.917 8.802 1.00 0.00 C ATOM 433 NZ LYS A 34 7.247 8.553 9.844 1.00 0.00 N ATOM 0 H LYS A 34 10.901 5.616 8.248 1.00 0.00 H new ATOM 0 HA LYS A 34 8.700 3.798 8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.762 6.388 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.776 6.379 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.556 6.080 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.676 4.625 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.275 6.105 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.821 6.121 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.793 8.149 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.390 8.339 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.246 9.584 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.871 8.325 10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.220 8.194 9.763 1.00 0.00 H new ATOM 447 N LEU A 35 10.055 4.271 5.568 1.00 0.00 N ATOM 448 CA LEU A 35 10.118 3.748 4.208 1.00 0.00 C ATOM 449 C LEU A 35 10.509 2.274 4.209 1.00 0.00 C ATOM 450 O LEU A 35 9.949 1.471 3.462 1.00 0.00 O ATOM 451 CB LEU A 35 11.119 4.553 3.377 1.00 0.00 C ATOM 452 CG LEU A 35 11.104 4.291 1.870 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.704 5.469 1.118 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.856 3.009 1.545 1.00 0.00 C ATOM 0 H LEU A 35 10.755 4.982 5.779 1.00 0.00 H new ATOM 0 HA LEU A 35 9.127 3.841 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.929 5.613 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.121 4.346 3.752 1.00 0.00 H new ATOM 0 HG LEU A 35 10.069 4.172 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.685 5.265 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.123 6.368 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.734 5.620 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.835 2.838 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.890 3.099 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.382 2.170 2.055 1.00 0.00 H new ATOM 466 N LEU A 36 11.473 1.924 5.054 1.00 0.00 N ATOM 467 CA LEU A 36 11.939 0.545 5.154 1.00 0.00 C ATOM 468 C LEU A 36 10.926 -0.319 5.898 1.00 0.00 C ATOM 469 O LEU A 36 10.721 -1.484 5.559 1.00 0.00 O ATOM 470 CB LEU A 36 13.291 0.494 5.867 1.00 0.00 C ATOM 471 CG LEU A 36 14.525 0.658 4.979 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.749 0.983 5.821 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.761 -0.599 4.155 1.00 0.00 C ATOM 0 H LEU A 36 11.947 2.576 5.679 1.00 0.00 H new ATOM 0 HA LEU A 36 12.053 0.151 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.308 1.276 6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.368 -0.460 6.389 1.00 0.00 H new ATOM 0 HG LEU A 36 14.349 1.488 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.617 1.096 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.580 1.912 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.928 0.174 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.643 -0.464 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.916 -1.447 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.893 -0.788 3.523 1.00 0.00 H new ATOM 485 N ALA A 37 10.294 0.261 6.913 1.00 0.00 N ATOM 486 CA ALA A 37 9.298 -0.454 7.702 1.00 0.00 C ATOM 487 C ALA A 37 7.988 -0.597 6.935 1.00 0.00 C ATOM 488 O ALA A 37 7.198 -1.502 7.200 1.00 0.00 O ATOM 489 CB ALA A 37 9.062 0.259 9.026 1.00 0.00 C ATOM 0 H ALA A 37 10.454 1.224 7.208 1.00 0.00 H new ATOM 0 HA ALA A 37 9.681 -1.454 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.316 -0.286 9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.995 0.303 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.705 1.271 8.836 1.00 0.00 H new ATOM 495 N ALA A 38 7.764 0.304 5.983 1.00 0.00 N ATOM 496 CA ALA A 38 6.550 0.277 5.177 1.00 0.00 C ATOM 497 C ALA A 38 6.645 -0.775 4.077 1.00 0.00 C ATOM 498 O ALA A 38 5.644 -1.124 3.451 1.00 0.00 O ATOM 499 CB ALA A 38 6.286 1.649 4.576 1.00 0.00 C ATOM 0 H ALA A 38 8.407 1.061 5.752 1.00 0.00 H new ATOM 0 HA ALA A 38 5.717 0.011 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.376 1.615 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.166 2.380 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.126 1.937 3.944 1.00 0.00 H new ATOM 505 N ALA A 39 7.854 -1.277 3.847 1.00 0.00 N ATOM 506 CA ALA A 39 8.078 -2.291 2.824 1.00 0.00 C ATOM 507 C ALA A 39 8.751 -3.526 3.413 1.00 0.00 C ATOM 508 O ALA A 39 9.977 -3.632 3.420 1.00 0.00 O ATOM 509 CB ALA A 39 8.917 -1.720 1.691 1.00 0.00 C ATOM 0 H ALA A 39 8.693 -0.998 4.355 1.00 0.00 H new ATOM 0 HA ALA A 39 7.108 -2.593 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.077 -2.488 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.397 -0.873 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.880 -1.390 2.082 1.00 0.00 H new ATOM 515 N ASN A 40 7.941 -4.457 3.907 1.00 0.00 N ATOM 516 CA ASN A 40 8.460 -5.684 4.500 1.00 0.00 C ATOM 517 C ASN A 40 8.785 -6.714 3.422 1.00 0.00 C ATOM 518 O ASN A 40 9.743 -7.478 3.545 1.00 0.00 O ATOM 519 CB ASN A 40 7.446 -6.266 5.487 1.00 0.00 C ATOM 520 CG ASN A 40 6.185 -6.754 4.801 1.00 0.00 C ATOM 521 OD1 ASN A 40 5.503 -5.991 4.115 1.00 0.00 O ATOM 522 ND2 ASN A 40 5.868 -8.030 4.983 1.00 0.00 N ATOM 0 H ASN A 40 6.924 -4.385 3.908 1.00 0.00 H new ATOM 0 HA ASN A 40 9.379 -5.440 5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.905 -7.093 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.185 -5.507 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.030 -8.415 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.462 -8.626 5.559 1.00 0.00 H new ATOM 529 N THR A 41 7.980 -6.728 2.363 1.00 0.00 N ATOM 530 CA THR A 41 8.181 -7.663 1.263 1.00 0.00 C ATOM 531 C THR A 41 9.192 -7.122 0.259 1.00 0.00 C ATOM 532 O THR A 41 9.775 -6.056 0.461 1.00 0.00 O ATOM 533 CB THR A 41 6.859 -7.963 0.533 1.00 0.00 C ATOM 534 OG1 THR A 41 6.440 -6.815 -0.214 1.00 0.00 O ATOM 535 CG2 THR A 41 5.771 -8.356 1.521 1.00 0.00 C ATOM 0 H THR A 41 7.183 -6.102 2.245 1.00 0.00 H new ATOM 0 HA THR A 41 8.565 -8.586 1.698 1.00 0.00 H new ATOM 0 HB THR A 41 7.028 -8.797 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.599 -7.015 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.847 -8.563 0.981 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.080 -9.247 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.606 -7.539 2.224 1.00 0.00 H new ATOM 543 N THR A 42 9.396 -7.863 -0.826 1.00 0.00 N ATOM 544 CA THR A 42 10.338 -7.457 -1.862 1.00 0.00 C ATOM 545 C THR A 42 9.705 -6.452 -2.817 1.00 0.00 C ATOM 546 O THR A 42 10.268 -5.397 -3.109 1.00 0.00 O ATOM 547 CB THR A 42 10.841 -8.669 -2.669 1.00 0.00 C ATOM 548 OG1 THR A 42 10.799 -9.849 -1.859 1.00 0.00 O ATOM 549 CG2 THR A 42 12.261 -8.438 -3.163 1.00 0.00 C ATOM 0 H THR A 42 8.922 -8.747 -1.010 1.00 0.00 H new ATOM 0 HA THR A 42 11.183 -6.990 -1.356 1.00 0.00 H new ATOM 0 HB THR A 42 10.189 -8.798 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.119 -10.615 -2.380 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.595 -9.307 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.285 -7.556 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.923 -8.285 -2.310 1.00 0.00 H new ATOM 557 N PRO A 43 8.505 -6.784 -3.317 1.00 0.00 N ATOM 558 CA PRO A 43 7.768 -5.922 -4.246 1.00 0.00 C ATOM 559 C PRO A 43 7.708 -4.475 -3.770 1.00 0.00 C ATOM 560 O PRO A 43 8.051 -3.553 -4.512 1.00 0.00 O ATOM 561 CB PRO A 43 6.367 -6.537 -4.265 1.00 0.00 C ATOM 562 CG PRO A 43 6.576 -7.969 -3.909 1.00 0.00 C ATOM 563 CD PRO A 43 7.775 -8.026 -3.012 1.00 0.00 C ATOM 0 HA PRO A 43 8.243 -5.879 -5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.708 -6.044 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.904 -6.437 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.698 -8.373 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.735 -8.570 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.486 -8.072 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.384 -8.907 -3.214 1.00 0.00 H new ATOM 571 N ASP A 44 7.272 -4.282 -2.531 1.00 0.00 N ATOM 572 CA ASP A 44 7.169 -2.946 -1.955 1.00 0.00 C ATOM 573 C ASP A 44 8.545 -2.299 -1.832 1.00 0.00 C ATOM 574 O ASP A 44 8.715 -1.117 -2.130 1.00 0.00 O ATOM 575 CB ASP A 44 6.496 -3.009 -0.583 1.00 0.00 C ATOM 576 CG ASP A 44 4.990 -2.862 -0.669 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.396 -3.397 -1.629 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.405 -2.212 0.222 1.00 0.00 O ATOM 0 H ASP A 44 6.984 -5.034 -1.905 1.00 0.00 H new ATOM 0 HA ASP A 44 6.560 -2.336 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.739 -3.959 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.899 -2.221 0.053 1.00 0.00 H new ATOM 583 N ARG A 45 9.524 -3.082 -1.390 1.00 0.00 N ATOM 584 CA ARG A 45 10.884 -2.585 -1.225 1.00 0.00 C ATOM 585 C ARG A 45 11.470 -2.149 -2.565 1.00 0.00 C ATOM 586 O ARG A 45 12.282 -1.226 -2.627 1.00 0.00 O ATOM 587 CB ARG A 45 11.770 -3.662 -0.595 1.00 0.00 C ATOM 588 CG ARG A 45 11.678 -3.716 0.921 1.00 0.00 C ATOM 589 CD ARG A 45 12.429 -2.561 1.566 1.00 0.00 C ATOM 590 NE ARG A 45 12.765 -2.838 2.960 1.00 0.00 N ATOM 591 CZ ARG A 45 13.674 -3.732 3.333 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.335 -4.431 2.421 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.925 -3.927 4.621 1.00 0.00 N ATOM 0 H ARG A 45 9.400 -4.063 -1.140 1.00 0.00 H new ATOM 0 HA ARG A 45 10.850 -1.719 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.491 -4.634 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.806 -3.482 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.632 -3.686 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.086 -4.662 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.343 -2.364 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.821 -1.658 1.512 1.00 0.00 H new ATOM 0 HE ARG A 45 12.275 -2.317 3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.146 -4.283 1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.032 -5.117 2.711 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.420 -3.390 5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.623 -4.614 4.906 1.00 0.00 H new ATOM 607 N GLN A 46 11.053 -2.820 -3.634 1.00 0.00 N ATOM 608 CA GLN A 46 11.537 -2.502 -4.972 1.00 0.00 C ATOM 609 C GLN A 46 11.053 -1.125 -5.413 1.00 0.00 C ATOM 610 O GLN A 46 11.838 -0.299 -5.878 1.00 0.00 O ATOM 611 CB GLN A 46 11.073 -3.563 -5.971 1.00 0.00 C ATOM 612 CG GLN A 46 12.051 -4.717 -6.131 1.00 0.00 C ATOM 613 CD GLN A 46 11.559 -5.767 -7.108 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.712 -5.623 -8.321 1.00 0.00 O ATOM 615 NE2 GLN A 46 10.965 -6.832 -6.583 1.00 0.00 N ATOM 0 H GLN A 46 10.381 -3.587 -3.599 1.00 0.00 H new ATOM 0 HA GLN A 46 12.627 -2.492 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.109 -3.957 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.917 -3.093 -6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.011 -4.330 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.221 -5.181 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.859 -6.910 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.614 -7.572 -7.191 1.00 0.00 H new ATOM 624 N ALA A 47 9.754 -0.884 -5.265 1.00 0.00 N ATOM 625 CA ALA A 47 9.165 0.393 -5.647 1.00 0.00 C ATOM 626 C ALA A 47 9.882 1.554 -4.965 1.00 0.00 C ATOM 627 O ALA A 47 10.414 2.443 -5.629 1.00 0.00 O ATOM 628 CB ALA A 47 7.682 0.413 -5.307 1.00 0.00 C ATOM 0 H ALA A 47 9.090 -1.557 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 47 9.281 0.511 -6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.255 1.373 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.175 -0.388 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.553 0.268 -4.234 1.00 0.00 H new ATOM 634 N ALA A 48 9.892 1.538 -3.636 1.00 0.00 N ATOM 635 CA ALA A 48 10.544 2.589 -2.865 1.00 0.00 C ATOM 636 C ALA A 48 12.008 2.735 -3.265 1.00 0.00 C ATOM 637 O ALA A 48 12.467 3.830 -3.592 1.00 0.00 O ATOM 638 CB ALA A 48 10.428 2.300 -1.375 1.00 0.00 C ATOM 0 H ALA A 48 9.456 0.809 -3.071 1.00 0.00 H new ATOM 0 HA ALA A 48 10.040 3.531 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.919 3.093 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.376 2.254 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.906 1.346 -1.151 1.00 0.00 H new ATOM 644 N CYS A 49 12.738 1.625 -3.236 1.00 0.00 N ATOM 645 CA CYS A 49 14.151 1.629 -3.594 1.00 0.00 C ATOM 646 C CYS A 49 14.377 2.369 -4.909 1.00 0.00 C ATOM 647 O CYS A 49 15.365 3.086 -5.068 1.00 0.00 O ATOM 648 CB CYS A 49 14.675 0.196 -3.707 1.00 0.00 C ATOM 649 SG CYS A 49 15.257 -0.509 -2.131 1.00 0.00 S ATOM 0 H CYS A 49 12.374 0.711 -2.968 1.00 0.00 H new ATOM 0 HA CYS A 49 14.697 2.148 -2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.884 -0.438 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.494 0.175 -4.426 1.00 0.00 H new ATOM 654 N ASN A 50 13.454 2.191 -5.848 1.00 0.00 N ATOM 655 CA ASN A 50 13.552 2.841 -7.150 1.00 0.00 C ATOM 656 C ASN A 50 13.437 4.356 -7.011 1.00 0.00 C ATOM 657 O ASN A 50 14.168 5.107 -7.656 1.00 0.00 O ATOM 658 CB ASN A 50 12.461 2.319 -8.087 1.00 0.00 C ATOM 659 CG ASN A 50 12.571 0.826 -8.328 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.665 0.263 -8.314 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.434 0.178 -8.551 1.00 0.00 N ATOM 0 H ASN A 50 12.629 1.602 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 50 14.528 2.606 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.483 2.545 -7.662 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.523 2.844 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.445 -0.828 -8.720 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.549 0.686 -8.553 1.00 0.00 H new ATOM 668 N CYS A 51 12.513 4.799 -6.164 1.00 0.00 N ATOM 669 CA CYS A 51 12.301 6.223 -5.939 1.00 0.00 C ATOM 670 C CYS A 51 13.467 6.831 -5.165 1.00 0.00 C ATOM 671 O CYS A 51 13.841 7.984 -5.387 1.00 0.00 O ATOM 672 CB CYS A 51 10.994 6.452 -5.177 1.00 0.00 C ATOM 673 SG CYS A 51 9.495 6.192 -6.178 1.00 0.00 S ATOM 0 H CYS A 51 11.899 4.191 -5.622 1.00 0.00 H new ATOM 0 HA CYS A 51 12.238 6.713 -6.911 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.965 5.782 -4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.986 7.470 -4.788 1.00 0.00 H new ATOM 678 N LEU A 52 14.038 6.049 -4.256 1.00 0.00 N ATOM 679 CA LEU A 52 15.162 6.509 -3.448 1.00 0.00 C ATOM 680 C LEU A 52 16.445 6.548 -4.272 1.00 0.00 C ATOM 681 O LEU A 52 17.089 7.590 -4.389 1.00 0.00 O ATOM 682 CB LEU A 52 15.350 5.597 -2.234 1.00 0.00 C ATOM 683 CG LEU A 52 14.586 5.995 -0.971 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.737 4.929 0.103 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.070 7.344 -0.458 1.00 0.00 C ATOM 0 H LEU A 52 13.741 5.093 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 52 14.941 7.520 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.049 4.587 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.413 5.559 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 52 13.529 6.082 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.186 5.230 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.341 3.983 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.792 4.809 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.515 7.612 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.133 7.284 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.909 8.103 -1.223 1.00 0.00 H new ATOM 697 N LYS A 53 16.810 5.405 -4.843 1.00 0.00 N ATOM 698 CA LYS A 53 18.014 5.308 -5.660 1.00 0.00 C ATOM 699 C LYS A 53 18.047 6.410 -6.714 1.00 0.00 C ATOM 700 O LYS A 53 19.093 7.006 -6.970 1.00 0.00 O ATOM 701 CB LYS A 53 18.086 3.937 -6.338 1.00 0.00 C ATOM 702 CG LYS A 53 19.504 3.436 -6.548 1.00 0.00 C ATOM 703 CD LYS A 53 19.823 2.264 -5.635 1.00 0.00 C ATOM 704 CE LYS A 53 20.430 2.731 -4.320 1.00 0.00 C ATOM 705 NZ LYS A 53 19.722 2.150 -3.146 1.00 0.00 N ATOM 0 H LYS A 53 16.289 4.533 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 53 18.877 5.429 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.540 3.213 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.582 3.991 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.634 3.134 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.209 4.246 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.913 1.698 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.515 1.588 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 53 21.482 2.449 -4.285 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.389 3.819 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.165 2.492 -2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.723 2.439 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.783 1.112 -3.183 1.00 0.00 H new ATOM 719 N SER A 54 16.895 6.676 -7.322 1.00 0.00 N ATOM 720 CA SER A 54 16.793 7.706 -8.349 1.00 0.00 C ATOM 721 C SER A 54 16.820 9.099 -7.728 1.00 0.00 C ATOM 722 O SER A 54 17.261 10.062 -8.355 1.00 0.00 O ATOM 723 CB SER A 54 15.508 7.522 -9.159 1.00 0.00 C ATOM 724 OG SER A 54 15.603 6.399 -10.019 1.00 0.00 O ATOM 0 H SER A 54 16.020 6.193 -7.121 1.00 0.00 H new ATOM 0 HA SER A 54 17.651 7.607 -9.013 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.663 7.395 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.314 8.419 -9.747 1.00 0.00 H new ATOM 0 HG SER A 54 15.182 5.624 -9.592 1.00 0.00 H new ATOM 730 N ALA A 55 16.347 9.197 -6.490 1.00 0.00 N ATOM 731 CA ALA A 55 16.318 10.471 -5.782 1.00 0.00 C ATOM 732 C ALA A 55 17.722 10.899 -5.366 1.00 0.00 C ATOM 733 O ALA A 55 18.143 12.023 -5.636 1.00 0.00 O ATOM 734 CB ALA A 55 15.411 10.377 -4.564 1.00 0.00 C ATOM 0 H ALA A 55 15.979 8.409 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 55 15.921 11.227 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.399 11.335 -4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.400 10.124 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.784 9.605 -3.891 1.00 0.00 H new ATOM 740 N ALA A 56 18.441 9.995 -4.708 1.00 0.00 N ATOM 741 CA ALA A 56 19.797 10.280 -4.257 1.00 0.00 C ATOM 742 C ALA A 56 20.737 10.488 -5.440 1.00 0.00 C ATOM 743 O ALA A 56 21.827 11.038 -5.289 1.00 0.00 O ATOM 744 CB ALA A 56 20.305 9.154 -3.369 1.00 0.00 C ATOM 0 H ALA A 56 18.107 9.060 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 56 19.774 11.203 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.319 9.380 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.655 9.054 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.306 8.220 -3.931 1.00 0.00 H new ATOM 750 N GLY A 57 20.307 10.045 -6.617 1.00 0.00 N ATOM 751 CA GLY A 57 21.122 10.191 -7.808 1.00 0.00 C ATOM 752 C GLY A 57 21.215 11.631 -8.274 1.00 0.00 C ATOM 753 O GLY A 57 22.070 11.972 -9.091 1.00 0.00 O ATOM 0 H GLY A 57 19.408 9.587 -6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.124 9.812 -7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 57 20.704 9.580 -8.608 1.00 0.00 H new ATOM 757 N SER A 58 20.331 12.477 -7.755 1.00 0.00 N ATOM 758 CA SER A 58 20.313 13.887 -8.127 1.00 0.00 C ATOM 759 C SER A 58 20.891 14.751 -7.011 1.00 0.00 C ATOM 760 O SER A 58 20.610 15.947 -6.928 1.00 0.00 O ATOM 761 CB SER A 58 18.885 14.334 -8.446 1.00 0.00 C ATOM 762 OG SER A 58 17.939 13.590 -7.697 1.00 0.00 O ATOM 0 H SER A 58 19.618 12.211 -7.076 1.00 0.00 H new ATOM 0 HA SER A 58 20.932 14.011 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.775 15.396 -8.225 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.690 14.208 -9.511 1.00 0.00 H new ATOM 0 HG SER A 58 18.289 13.428 -6.796 1.00 0.00 H new ATOM 768 N ILE A 59 21.700 14.136 -6.154 1.00 0.00 N ATOM 769 CA ILE A 59 22.319 14.848 -5.043 1.00 0.00 C ATOM 770 C ILE A 59 23.665 15.438 -5.450 1.00 0.00 C ATOM 771 O ILE A 59 24.640 14.712 -5.645 1.00 0.00 O ATOM 772 CB ILE A 59 22.521 13.926 -3.826 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.181 13.345 -3.371 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.187 14.688 -2.690 1.00 0.00 C ATOM 775 CD1 ILE A 59 20.223 14.384 -2.832 1.00 0.00 C ATOM 0 H ILE A 59 21.942 13.147 -6.208 1.00 0.00 H new ATOM 0 HA ILE A 59 21.640 15.655 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 59 23.173 13.102 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.713 12.832 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.362 12.595 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.323 14.023 -1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.158 15.058 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.558 15.529 -2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 59 19.295 13.900 -2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.671 14.881 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.012 15.121 -3.607 1.00 0.00 H new ATOM 787 N THR A 60 23.713 16.761 -5.574 1.00 0.00 N ATOM 788 CA THR A 60 24.939 17.449 -5.957 1.00 0.00 C ATOM 789 C THR A 60 26.078 17.117 -4.999 1.00 0.00 C ATOM 790 O THR A 60 25.973 17.340 -3.792 1.00 0.00 O ATOM 791 CB THR A 60 24.740 18.976 -5.989 1.00 0.00 C ATOM 792 OG1 THR A 60 26.005 19.632 -6.130 1.00 0.00 O ATOM 793 CG2 THR A 60 24.050 19.459 -4.722 1.00 0.00 C ATOM 0 H THR A 60 22.916 17.377 -5.414 1.00 0.00 H new ATOM 0 HA THR A 60 25.196 17.102 -6.958 1.00 0.00 H new ATOM 0 HB THR A 60 24.108 19.220 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 60 25.870 20.602 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 60 23.920 20.540 -4.768 1.00 0.00 H new ATOM 0 HG22 THR A 60 23.075 18.980 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 60 24.660 19.203 -3.855 1.00 0.00 H new ATOM 801 N LYS A 61 27.166 16.583 -5.543 1.00 0.00 N ATOM 802 CA LYS A 61 28.326 16.221 -4.737 1.00 0.00 C ATOM 803 C LYS A 61 27.935 15.257 -3.621 1.00 0.00 C ATOM 804 O LYS A 61 28.331 15.433 -2.468 1.00 0.00 O ATOM 805 CB LYS A 61 28.969 17.475 -4.140 1.00 0.00 C ATOM 806 CG LYS A 61 29.865 18.221 -5.114 1.00 0.00 C ATOM 807 CD LYS A 61 31.038 18.875 -4.403 1.00 0.00 C ATOM 808 CE LYS A 61 30.631 20.181 -3.739 1.00 0.00 C ATOM 809 NZ LYS A 61 30.624 20.070 -2.254 1.00 0.00 N ATOM 0 H LYS A 61 27.269 16.391 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 61 29.047 15.724 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.183 18.147 -3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 61 29.554 17.192 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.236 17.530 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.284 18.982 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.436 18.192 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.839 19.064 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 61 31.318 20.971 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 61 29.639 20.471 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.341 20.981 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.949 19.333 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.576 19.818 -1.920 1.00 0.00 H new ATOM 823 N LEU A 62 27.156 14.239 -3.971 1.00 0.00 N ATOM 824 CA LEU A 62 26.713 13.246 -2.999 1.00 0.00 C ATOM 825 C LEU A 62 27.894 12.693 -2.208 1.00 0.00 C ATOM 826 O LEU A 62 28.963 12.444 -2.763 1.00 0.00 O ATOM 827 CB LEU A 62 25.977 12.106 -3.705 1.00 0.00 C ATOM 828 CG LEU A 62 25.574 10.922 -2.825 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.182 11.133 -2.250 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.634 9.624 -3.618 1.00 0.00 C ATOM 0 H LEU A 62 26.818 14.080 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 62 26.031 13.734 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.077 12.512 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.610 11.735 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 62 26.280 10.853 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.913 10.280 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.171 12.041 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.463 11.229 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.344 8.792 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.951 9.684 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.650 9.466 -3.981 1.00 0.00 H new ATOM 842 N ASN A 63 27.691 12.501 -0.908 1.00 0.00 N ATOM 843 CA ASN A 63 28.739 11.975 -0.041 1.00 0.00 C ATOM 844 C ASN A 63 28.400 10.564 0.428 1.00 0.00 C ATOM 845 O ASN A 63 27.560 10.374 1.308 1.00 0.00 O ATOM 846 CB ASN A 63 28.938 12.892 1.168 1.00 0.00 C ATOM 847 CG ASN A 63 30.363 12.868 1.683 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.947 11.802 1.878 1.00 0.00 O ATOM 849 ND2 ASN A 63 30.931 14.048 1.907 1.00 0.00 N ATOM 0 H ASN A 63 26.811 12.702 -0.433 1.00 0.00 H new ATOM 0 HA ASN A 63 29.665 11.935 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.671 13.913 0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.261 12.588 1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.889 14.095 2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.409 14.907 1.731 1.00 0.00 H new ATOM 856 N THR A 64 29.059 9.574 -0.167 1.00 0.00 N ATOM 857 CA THR A 64 28.828 8.180 0.188 1.00 0.00 C ATOM 858 C THR A 64 28.982 7.962 1.689 1.00 0.00 C ATOM 859 O THR A 64 28.310 7.114 2.275 1.00 0.00 O ATOM 860 CB THR A 64 29.796 7.242 -0.557 1.00 0.00 C ATOM 861 OG1 THR A 64 31.137 7.733 -0.446 1.00 0.00 O ATOM 862 CG2 THR A 64 29.413 7.124 -2.024 1.00 0.00 C ATOM 0 H THR A 64 29.757 9.713 -0.897 1.00 0.00 H new ATOM 0 HA THR A 64 27.806 7.944 -0.108 1.00 0.00 H new ATOM 0 HB THR A 64 29.733 6.254 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.746 7.130 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 64 30.111 6.457 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 64 28.403 6.722 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.450 8.109 -2.490 1.00 0.00 H new ATOM 870 N ASN A 65 29.870 8.734 2.307 1.00 0.00 N ATOM 871 CA ASN A 65 30.112 8.625 3.741 1.00 0.00 C ATOM 872 C ASN A 65 28.918 9.147 4.535 1.00 0.00 C ATOM 873 O ASN A 65 28.494 8.533 5.513 1.00 0.00 O ATOM 874 CB ASN A 65 31.374 9.400 4.127 1.00 0.00 C ATOM 875 CG ASN A 65 32.643 8.662 3.747 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.745 7.448 3.923 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.619 9.396 3.224 1.00 0.00 N ATOM 0 H ASN A 65 30.434 9.442 1.837 1.00 0.00 H new ATOM 0 HA ASN A 65 30.253 7.571 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.363 10.374 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.371 9.583 5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.497 8.956 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.490 10.400 3.096 1.00 0.00 H new ATOM 884 N ASN A 66 28.381 10.284 4.106 1.00 0.00 N ATOM 885 CA ASN A 66 27.236 10.889 4.776 1.00 0.00 C ATOM 886 C ASN A 66 25.967 10.081 4.522 1.00 0.00 C ATOM 887 O ASN A 66 25.130 9.925 5.411 1.00 0.00 O ATOM 888 CB ASN A 66 27.041 12.330 4.298 1.00 0.00 C ATOM 889 CG ASN A 66 28.307 13.156 4.420 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.275 12.738 5.055 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.305 14.335 3.811 1.00 0.00 N ATOM 0 H ASN A 66 28.720 10.805 3.297 1.00 0.00 H new ATOM 0 HA ASN A 66 27.435 10.893 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.713 12.324 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.247 12.799 4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.129 14.935 3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.480 14.641 3.295 1.00 0.00 H new ATOM 898 N ALA A 67 25.832 9.570 3.303 1.00 0.00 N ATOM 899 CA ALA A 67 24.667 8.776 2.932 1.00 0.00 C ATOM 900 C ALA A 67 24.570 7.514 3.782 1.00 0.00 C ATOM 901 O ALA A 67 23.480 7.101 4.175 1.00 0.00 O ATOM 902 CB ALA A 67 24.722 8.417 1.454 1.00 0.00 C ATOM 0 H ALA A 67 26.515 9.692 2.555 1.00 0.00 H new ATOM 0 HA ALA A 67 23.775 9.376 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.846 7.824 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.735 9.330 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.625 7.840 1.253 1.00 0.00 H new ATOM 908 N ALA A 68 25.718 6.904 4.061 1.00 0.00 N ATOM 909 CA ALA A 68 25.762 5.690 4.865 1.00 0.00 C ATOM 910 C ALA A 68 25.586 6.006 6.347 1.00 0.00 C ATOM 911 O ALA A 68 25.093 5.179 7.113 1.00 0.00 O ATOM 912 CB ALA A 68 27.071 4.950 4.633 1.00 0.00 C ATOM 0 H ALA A 68 26.630 7.232 3.742 1.00 0.00 H new ATOM 0 HA ALA A 68 24.936 5.050 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 68 27.090 4.045 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 68 27.156 4.682 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.906 5.592 4.913 1.00 0.00 H new ATOM 918 N ALA A 69 25.993 7.207 6.743 1.00 0.00 N ATOM 919 CA ALA A 69 25.879 7.632 8.133 1.00 0.00 C ATOM 920 C ALA A 69 24.433 7.955 8.491 1.00 0.00 C ATOM 921 O ALA A 69 24.025 7.826 9.647 1.00 0.00 O ATOM 922 CB ALA A 69 26.771 8.838 8.391 1.00 0.00 C ATOM 0 H ALA A 69 26.405 7.903 6.121 1.00 0.00 H new ATOM 0 HA ALA A 69 26.208 6.809 8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.676 9.145 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.808 8.575 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.469 9.660 7.742 1.00 0.00 H new ATOM 928 N LEU A 70 23.661 8.375 7.495 1.00 0.00 N ATOM 929 CA LEU A 70 22.259 8.717 7.706 1.00 0.00 C ATOM 930 C LEU A 70 21.510 7.564 8.368 1.00 0.00 C ATOM 931 O LEU A 70 20.922 7.708 9.440 1.00 0.00 O ATOM 932 CB LEU A 70 21.595 9.073 6.374 1.00 0.00 C ATOM 933 CG LEU A 70 20.089 8.824 6.288 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.358 9.584 7.384 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.560 9.223 4.917 1.00 0.00 C ATOM 0 H LEU A 70 23.982 8.487 6.533 1.00 0.00 H new ATOM 0 HA LEU A 70 22.217 9.581 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.781 10.127 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.083 8.503 5.584 1.00 0.00 H new ATOM 0 HG LEU A 70 19.908 7.759 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.287 9.394 7.306 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.716 9.251 8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.546 10.652 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.487 9.039 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.754 10.282 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 70 20.060 8.634 4.148 1.00 0.00 H new ATOM 947 N PRO A 71 21.534 6.392 7.716 1.00 0.00 N ATOM 948 CA PRO A 71 20.865 5.190 8.225 1.00 0.00 C ATOM 949 C PRO A 71 21.550 4.627 9.465 1.00 0.00 C ATOM 950 O PRO A 71 20.890 4.252 10.434 1.00 0.00 O ATOM 951 CB PRO A 71 20.973 4.204 7.059 1.00 0.00 C ATOM 952 CG PRO A 71 22.171 4.652 6.294 1.00 0.00 C ATOM 953 CD PRO A 71 22.215 6.148 6.434 1.00 0.00 C ATOM 0 HA PRO A 71 19.840 5.394 8.535 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.091 3.181 7.415 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.077 4.224 6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.079 4.196 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.097 4.360 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.239 6.520 6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.705 6.644 5.608 1.00 0.00 H new ATOM 961 N GLY A 72 22.878 4.570 9.429 1.00 0.00 N ATOM 962 CA GLY A 72 23.629 4.051 10.556 1.00 0.00 C ATOM 963 C GLY A 72 23.412 4.860 11.820 1.00 0.00 C ATOM 964 O GLY A 72 23.431 4.317 12.925 1.00 0.00 O ATOM 0 H GLY A 72 23.447 4.874 8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.338 3.016 10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.691 4.046 10.310 1.00 0.00 H new ATOM 968 N LYS A 73 23.206 6.163 11.658 1.00 0.00 N ATOM 969 CA LYS A 73 22.985 7.050 12.794 1.00 0.00 C ATOM 970 C LYS A 73 21.559 6.916 13.319 1.00 0.00 C ATOM 971 O LYS A 73 21.316 7.027 14.521 1.00 0.00 O ATOM 972 CB LYS A 73 23.258 8.501 12.395 1.00 0.00 C ATOM 973 CG LYS A 73 24.736 8.826 12.257 1.00 0.00 C ATOM 974 CD LYS A 73 25.172 9.878 13.263 1.00 0.00 C ATOM 975 CE LYS A 73 26.349 10.690 12.746 1.00 0.00 C ATOM 976 NZ LYS A 73 26.755 11.753 13.707 1.00 0.00 N ATOM 0 H LYS A 73 23.188 6.628 10.750 1.00 0.00 H new ATOM 0 HA LYS A 73 23.675 6.762 13.587 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.759 8.709 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.817 9.163 13.140 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.324 7.919 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.939 9.181 11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.337 10.544 13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.446 9.395 14.201 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.194 10.027 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.085 11.145 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.560 12.284 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.957 12.401 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.032 11.317 14.610 1.00 0.00 H new ATOM 990 N CYS A 74 20.619 6.676 12.411 1.00 0.00 N ATOM 991 CA CYS A 74 19.217 6.526 12.781 1.00 0.00 C ATOM 992 C CYS A 74 18.929 5.105 13.258 1.00 0.00 C ATOM 993 O CYS A 74 17.795 4.769 13.595 1.00 0.00 O ATOM 994 CB CYS A 74 18.314 6.870 11.595 1.00 0.00 C ATOM 995 SG CYS A 74 18.467 8.591 11.019 1.00 0.00 S ATOM 0 H CYS A 74 20.803 6.581 11.412 1.00 0.00 H new ATOM 0 HA CYS A 74 19.008 7.215 13.599 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.547 6.199 10.768 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.277 6.683 11.875 1.00 0.00 H new ATOM 1000 N GLY A 75 19.967 4.273 13.283 1.00 0.00 N ATOM 1001 CA GLY A 75 19.806 2.899 13.720 1.00 0.00 C ATOM 1002 C GLY A 75 18.999 2.070 12.740 1.00 0.00 C ATOM 1003 O GLY A 75 18.256 1.173 13.138 1.00 0.00 O ATOM 0 H GLY A 75 20.916 4.527 13.008 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.788 2.445 13.852 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.315 2.886 14.693 1.00 0.00 H new ATOM 1007 N VAL A 76 19.144 2.371 11.453 1.00 0.00 N ATOM 1008 CA VAL A 76 18.423 1.648 10.413 1.00 0.00 C ATOM 1009 C VAL A 76 19.268 1.511 9.151 1.00 0.00 C ATOM 1010 O VAL A 76 19.140 2.302 8.218 1.00 0.00 O ATOM 1011 CB VAL A 76 17.098 2.349 10.057 1.00 0.00 C ATOM 1012 CG1 VAL A 76 17.336 3.822 9.762 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.432 1.661 8.875 1.00 0.00 C ATOM 0 H VAL A 76 19.755 3.111 11.106 1.00 0.00 H new ATOM 0 HA VAL A 76 18.206 0.657 10.810 1.00 0.00 H new ATOM 0 HB VAL A 76 16.428 2.278 10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.389 4.301 9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.766 4.304 10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 76 18.024 3.918 8.922 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.498 2.169 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 76 17.095 1.699 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 76 16.225 0.621 9.128 1.00 0.00 H new ATOM 1023 N ASN A 77 20.132 0.502 9.131 1.00 0.00 N ATOM 1024 CA ASN A 77 20.999 0.261 7.983 1.00 0.00 C ATOM 1025 C ASN A 77 20.321 -0.658 6.972 1.00 0.00 C ATOM 1026 O ASN A 77 19.258 -1.218 7.243 1.00 0.00 O ATOM 1027 CB ASN A 77 22.324 -0.353 8.439 1.00 0.00 C ATOM 1028 CG ASN A 77 22.126 -1.499 9.413 1.00 0.00 C ATOM 1029 OD1 ASN A 77 22.412 -1.372 10.603 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.635 -2.625 8.909 1.00 0.00 N ATOM 0 H ASN A 77 20.251 -0.162 9.896 1.00 0.00 H new ATOM 0 HA ASN A 77 21.196 1.218 7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.874 -0.711 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.936 0.417 8.908 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.481 -3.430 9.515 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.412 -2.685 7.915 1.00 0.00 H new ATOM 1037 N ILE A 78 20.943 -0.809 5.808 1.00 0.00 N ATOM 1038 CA ILE A 78 20.400 -1.662 4.758 1.00 0.00 C ATOM 1039 C ILE A 78 21.365 -2.793 4.414 1.00 0.00 C ATOM 1040 O ILE A 78 22.561 -2.728 4.695 1.00 0.00 O ATOM 1041 CB ILE A 78 20.095 -0.857 3.481 1.00 0.00 C ATOM 1042 CG1 ILE A 78 21.151 0.231 3.273 1.00 0.00 C ATOM 1043 CG2 ILE A 78 18.705 -0.245 3.560 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.814 1.538 3.955 1.00 0.00 C ATOM 0 H ILE A 78 21.823 -0.352 5.568 1.00 0.00 H new ATOM 0 HA ILE A 78 19.472 -2.084 5.143 1.00 0.00 H new ATOM 0 HB ILE A 78 20.125 -1.534 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 78 22.110 -0.128 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 78 21.272 0.409 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.504 0.321 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.964 -1.037 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 78 18.649 0.421 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.606 2.262 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.871 1.920 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.722 1.375 5.029 1.00 0.00 H new ATOM 1056 N PRO A 79 20.833 -3.854 3.790 1.00 0.00 N ATOM 1057 CA PRO A 79 21.630 -5.019 3.393 1.00 0.00 C ATOM 1058 C PRO A 79 22.588 -4.703 2.249 1.00 0.00 C ATOM 1059 O PRO A 79 23.439 -5.520 1.896 1.00 0.00 O ATOM 1060 CB PRO A 79 20.575 -6.033 2.942 1.00 0.00 C ATOM 1061 CG PRO A 79 19.408 -5.205 2.526 1.00 0.00 C ATOM 1062 CD PRO A 79 19.414 -3.999 3.424 1.00 0.00 C ATOM 0 HA PRO A 79 22.264 -5.375 4.205 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.941 -6.645 2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.309 -6.714 3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.491 -4.912 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 79 18.477 -5.763 2.628 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.039 -3.114 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.786 -4.149 4.302 1.00 0.00 H new ATOM 1070 N TYR A 80 22.444 -3.514 1.675 1.00 0.00 N ATOM 1071 CA TYR A 80 23.296 -3.091 0.570 1.00 0.00 C ATOM 1072 C TYR A 80 23.742 -1.643 0.749 1.00 0.00 C ATOM 1073 O TYR A 80 23.166 -0.897 1.541 1.00 0.00 O ATOM 1074 CB TYR A 80 22.557 -3.248 -0.761 1.00 0.00 C ATOM 1075 CG TYR A 80 23.463 -3.595 -1.920 1.00 0.00 C ATOM 1076 CD1 TYR A 80 23.776 -4.918 -2.211 1.00 0.00 C ATOM 1077 CD2 TYR A 80 24.009 -2.602 -2.723 1.00 0.00 C ATOM 1078 CE1 TYR A 80 24.604 -5.240 -3.268 1.00 0.00 C ATOM 1079 CE2 TYR A 80 24.837 -2.915 -3.784 1.00 0.00 C ATOM 1080 CZ TYR A 80 25.132 -4.235 -4.052 1.00 0.00 C ATOM 1081 OH TYR A 80 25.957 -4.551 -5.107 1.00 0.00 O ATOM 0 H TYR A 80 21.745 -2.826 1.956 1.00 0.00 H new ATOM 0 HA TYR A 80 24.181 -3.727 0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 80 21.800 -4.026 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.032 -2.320 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 80 23.364 -5.707 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 80 23.782 -1.567 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 80 24.837 -6.273 -3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 80 25.251 -2.130 -4.400 1.00 0.00 H new ATOM 0 HH TYR A 80 26.242 -3.728 -5.557 1.00 0.00 H new ATOM 1091 N LYS A 81 24.772 -1.252 0.006 1.00 0.00 N ATOM 1092 CA LYS A 81 25.296 0.106 0.079 1.00 0.00 C ATOM 1093 C LYS A 81 24.487 1.050 -0.805 1.00 0.00 C ATOM 1094 O LYS A 81 23.743 0.609 -1.682 1.00 0.00 O ATOM 1095 CB LYS A 81 26.767 0.131 -0.344 1.00 0.00 C ATOM 1096 CG LYS A 81 27.550 1.291 0.246 1.00 0.00 C ATOM 1097 CD LYS A 81 29.035 0.978 0.325 1.00 0.00 C ATOM 1098 CE LYS A 81 29.396 0.317 1.646 1.00 0.00 C ATOM 1099 NZ LYS A 81 29.400 1.291 2.772 1.00 0.00 N ATOM 0 H LYS A 81 25.260 -1.857 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 81 25.215 0.444 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 81 27.239 -0.805 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 81 26.823 0.182 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.397 2.182 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 81 27.171 1.517 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 81 29.314 0.322 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 81 29.608 1.898 0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.685 -0.481 1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 81 30.379 -0.146 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.858 0.861 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 29.924 2.144 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.421 1.549 3.012 1.00 0.00 H new ATOM 1113 N ILE A 82 24.638 2.349 -0.570 1.00 0.00 N ATOM 1114 CA ILE A 82 23.923 3.354 -1.347 1.00 0.00 C ATOM 1115 C ILE A 82 24.723 3.768 -2.578 1.00 0.00 C ATOM 1116 O ILE A 82 25.855 4.238 -2.466 1.00 0.00 O ATOM 1117 CB ILE A 82 23.617 4.605 -0.503 1.00 0.00 C ATOM 1118 CG1 ILE A 82 23.072 4.201 0.869 1.00 0.00 C ATOM 1119 CG2 ILE A 82 22.627 5.504 -1.228 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.835 3.334 0.796 1.00 0.00 C ATOM 0 H ILE A 82 25.249 2.730 0.152 1.00 0.00 H new ATOM 0 HA ILE A 82 22.984 2.900 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 82 24.543 5.161 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 82 23.849 3.667 1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.842 5.101 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.421 6.384 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 82 23.050 5.815 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.700 4.958 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 82 21.504 3.086 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.043 3.873 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.065 2.417 0.254 1.00 0.00 H new ATOM 1132 N SER A 83 24.124 3.592 -3.752 1.00 0.00 N ATOM 1133 CA SER A 83 24.781 3.946 -5.005 1.00 0.00 C ATOM 1134 C SER A 83 23.851 3.708 -6.191 1.00 0.00 C ATOM 1135 O SER A 83 22.750 3.178 -6.037 1.00 0.00 O ATOM 1136 CB SER A 83 26.066 3.134 -5.179 1.00 0.00 C ATOM 1137 OG SER A 83 25.871 1.784 -4.795 1.00 0.00 O ATOM 0 H SER A 83 23.186 3.207 -3.861 1.00 0.00 H new ATOM 0 HA SER A 83 25.032 5.006 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.389 3.177 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.863 3.575 -4.580 1.00 0.00 H new ATOM 0 HG SER A 83 26.706 1.285 -4.917 1.00 0.00 H new ATOM 1143 N THR A 84 24.302 4.105 -7.377 1.00 0.00 N ATOM 1144 CA THR A 84 23.512 3.937 -8.590 1.00 0.00 C ATOM 1145 C THR A 84 23.621 2.514 -9.125 1.00 0.00 C ATOM 1146 O THR A 84 23.016 2.173 -10.142 1.00 0.00 O ATOM 1147 CB THR A 84 23.955 4.922 -9.689 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.384 4.985 -9.743 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.389 6.310 -9.432 1.00 0.00 C ATOM 0 H THR A 84 25.210 4.545 -7.523 1.00 0.00 H new ATOM 0 HA THR A 84 22.475 4.143 -8.323 1.00 0.00 H new ATOM 0 HB THR A 84 23.572 4.563 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.658 5.612 -10.445 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.715 6.988 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.300 6.263 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.745 6.676 -8.469 1.00 0.00 H new ATOM 1157 N THR A 85 24.396 1.684 -8.433 1.00 0.00 N ATOM 1158 CA THR A 85 24.585 0.297 -8.839 1.00 0.00 C ATOM 1159 C THR A 85 23.983 -0.661 -7.817 1.00 0.00 C ATOM 1160 O THR A 85 24.528 -1.735 -7.561 1.00 0.00 O ATOM 1161 CB THR A 85 26.077 -0.036 -9.022 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.731 -0.074 -7.748 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.756 0.991 -9.916 1.00 0.00 C ATOM 0 H THR A 85 24.903 1.949 -7.588 1.00 0.00 H new ATOM 0 HA THR A 85 24.074 0.174 -9.794 1.00 0.00 H new ATOM 0 HB THR A 85 26.152 -1.014 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.679 -0.288 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.809 0.734 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.276 0.996 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.670 1.979 -9.465 1.00 0.00 H new ATOM 1171 N THR A 86 22.855 -0.266 -7.235 1.00 0.00 N ATOM 1172 CA THR A 86 22.179 -1.090 -6.241 1.00 0.00 C ATOM 1173 C THR A 86 20.740 -1.379 -6.652 1.00 0.00 C ATOM 1174 O THR A 86 19.978 -0.464 -6.962 1.00 0.00 O ATOM 1175 CB THR A 86 22.180 -0.414 -4.857 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.523 -0.273 -4.381 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.365 -1.223 -3.859 1.00 0.00 C ATOM 0 H THR A 86 22.390 0.620 -7.435 1.00 0.00 H new ATOM 0 HA THR A 86 22.731 -2.028 -6.180 1.00 0.00 H new ATOM 0 HB THR A 86 21.726 0.572 -4.959 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.901 -1.159 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.380 -0.726 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.336 -1.303 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.794 -2.220 -3.762 1.00 0.00 H new ATOM 1185 N ASN A 87 20.374 -2.656 -6.651 1.00 0.00 N ATOM 1186 CA ASN A 87 19.024 -3.065 -7.025 1.00 0.00 C ATOM 1187 C ASN A 87 18.422 -3.983 -5.966 1.00 0.00 C ATOM 1188 O ASN A 87 18.724 -5.176 -5.917 1.00 0.00 O ATOM 1189 CB ASN A 87 19.041 -3.773 -8.381 1.00 0.00 C ATOM 1190 CG ASN A 87 17.659 -3.871 -8.998 1.00 0.00 C ATOM 1191 OD1 ASN A 87 16.661 -3.510 -8.375 1.00 0.00 O ATOM 1192 ND2 ASN A 87 17.596 -4.361 -10.231 1.00 0.00 N ATOM 0 H ASN A 87 20.992 -3.426 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 87 18.406 -2.170 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 87 19.702 -3.235 -9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 87 19.454 -4.774 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.694 -4.450 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.450 -4.648 -10.710 1.00 0.00 H new ATOM 1199 N CYS A 88 17.566 -3.420 -5.119 1.00 0.00 N ATOM 1200 CA CYS A 88 16.920 -4.186 -4.061 1.00 0.00 C ATOM 1201 C CYS A 88 16.190 -5.397 -4.635 1.00 0.00 C ATOM 1202 O CYS A 88 16.002 -6.403 -3.951 1.00 0.00 O ATOM 1203 CB CYS A 88 15.938 -3.303 -3.290 1.00 0.00 C ATOM 1204 SG CYS A 88 16.699 -1.832 -2.531 1.00 0.00 S ATOM 0 H CYS A 88 17.304 -2.435 -5.146 1.00 0.00 H new ATOM 0 HA CYS A 88 17.693 -4.539 -3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.147 -2.981 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.466 -3.899 -2.509 1.00 0.00 H new