USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 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 1 GLY N :NH3+ 145:sc= 0.0398 (180deg=0) USER MOD Set 1.2: A 78 LYS NZ :NH3+ 176:sc= -0.0517 (180deg=-0.0961) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.084 USER MOD Single : A 5 SER OG : rot 63:sc= 0.545 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0691) USER MOD Single : A 18 CYS SG : rot 180:sc= -2.36 USER MOD Single : A 22 MET CE :methyl -169:sc= -5.07 (180deg=-6.36!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.72 K(o=0.72,f=-0.41) USER MOD Single : A 29 ASN : amide:sc=-0.00392 K(o=-0.0039,f=-2.5) USER MOD Single : A 30 GLN : amide:sc= -2.79 X(o=-2.8,f=-2.7) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 1.17 K(o=1.2,f=-0.11) USER MOD Single : A 44 CYS SG : rot 180:sc= -1.91 USER MOD Single : A 45 ASN : amide:sc= -1.5! C(o=-1.5!,f=-12!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00218) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.386 (180deg=0.342) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 72 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.633 K(o=-0.63,f=-1.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 31:sc= 0.327 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 36:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.990 -1.817 8.231 1.00 0.00 N ATOM 2 CA GLY A 1 -8.627 -2.336 9.536 1.00 0.00 C ATOM 3 C GLY A 1 -7.128 -2.479 9.707 1.00 0.00 C ATOM 4 O GLY A 1 -6.392 -2.584 8.726 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.881 -2.254 7.919 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.112 -0.786 8.289 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.238 -2.038 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.016 -1.672 10.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.100 -3.307 9.682 1.00 0.00 H new ATOM 8 N SER A 2 -6.674 -2.483 10.956 1.00 0.00 N ATOM 9 CA SER A 2 -5.252 -2.608 11.252 1.00 0.00 C ATOM 10 C SER A 2 -4.963 -3.912 11.991 1.00 0.00 C ATOM 11 O SER A 2 -5.595 -4.218 13.002 1.00 0.00 O ATOM 12 CB SER A 2 -4.776 -1.419 12.089 1.00 0.00 C ATOM 13 OG SER A 2 -3.415 -1.564 12.454 1.00 0.00 O ATOM 0 H SER A 2 -7.271 -2.401 11.779 1.00 0.00 H new ATOM 0 HA SER A 2 -4.710 -2.618 10.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.908 -0.496 11.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.389 -1.333 12.986 1.00 0.00 H new ATOM 0 HG SER A 2 -3.135 -0.791 12.987 1.00 0.00 H new ATOM 19 N SER A 3 -4.005 -4.676 11.477 1.00 0.00 N ATOM 20 CA SER A 3 -3.635 -5.949 12.084 1.00 0.00 C ATOM 21 C SER A 3 -2.209 -5.898 12.626 1.00 0.00 C ATOM 22 O SER A 3 -1.936 -6.369 13.729 1.00 0.00 O ATOM 23 CB SER A 3 -3.764 -7.082 11.064 1.00 0.00 C ATOM 24 OG SER A 3 -2.779 -6.971 10.051 1.00 0.00 O ATOM 0 H SER A 3 -3.471 -4.436 10.642 1.00 0.00 H new ATOM 0 HA SER A 3 -4.315 -6.138 12.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.664 -8.043 11.569 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.757 -7.059 10.614 1.00 0.00 H new ATOM 0 HG SER A 3 -2.882 -7.708 9.413 1.00 0.00 H new ATOM 30 N GLY A 4 -1.304 -5.321 11.841 1.00 0.00 N ATOM 31 CA GLY A 4 0.082 -5.219 12.258 1.00 0.00 C ATOM 32 C GLY A 4 0.222 -4.919 13.737 1.00 0.00 C ATOM 33 O GLY A 4 0.046 -3.779 14.166 1.00 0.00 O ATOM 0 H GLY A 4 -1.506 -4.923 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.597 -6.152 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.574 -4.435 11.683 1.00 0.00 H new ATOM 37 N SER A 5 0.537 -5.946 14.520 1.00 0.00 N ATOM 38 CA SER A 5 0.695 -5.788 15.961 1.00 0.00 C ATOM 39 C SER A 5 2.127 -6.097 16.388 1.00 0.00 C ATOM 40 O SER A 5 2.773 -5.293 17.059 1.00 0.00 O ATOM 41 CB SER A 5 -0.280 -6.703 16.706 1.00 0.00 C ATOM 42 OG SER A 5 -1.602 -6.195 16.647 1.00 0.00 O ATOM 0 H SER A 5 0.688 -6.896 14.181 1.00 0.00 H new ATOM 0 HA SER A 5 0.475 -4.751 16.214 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.251 -7.702 16.271 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.030 -6.800 17.747 1.00 0.00 H new ATOM 0 HG SER A 5 -1.903 -6.173 15.715 1.00 0.00 H new ATOM 48 N SER A 6 2.615 -7.269 15.994 1.00 0.00 N ATOM 49 CA SER A 6 3.969 -7.688 16.338 1.00 0.00 C ATOM 50 C SER A 6 4.976 -7.157 15.323 1.00 0.00 C ATOM 51 O SER A 6 4.758 -7.236 14.115 1.00 0.00 O ATOM 52 CB SER A 6 4.052 -9.214 16.406 1.00 0.00 C ATOM 53 OG SER A 6 5.378 -9.642 16.660 1.00 0.00 O ATOM 0 H SER A 6 2.093 -7.945 15.436 1.00 0.00 H new ATOM 0 HA SER A 6 4.213 -7.275 17.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.391 -9.583 17.191 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.702 -9.642 15.467 1.00 0.00 H new ATOM 0 HG SER A 6 5.404 -10.621 16.700 1.00 0.00 H new ATOM 59 N GLY A 7 6.082 -6.614 15.824 1.00 0.00 N ATOM 60 CA GLY A 7 7.107 -6.077 14.949 1.00 0.00 C ATOM 61 C GLY A 7 8.256 -7.044 14.740 1.00 0.00 C ATOM 62 O GLY A 7 8.496 -7.922 15.570 1.00 0.00 O ATOM 0 H GLY A 7 6.286 -6.537 16.820 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.664 -5.830 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.490 -5.148 15.371 1.00 0.00 H new ATOM 66 N ARG A 8 8.967 -6.885 13.629 1.00 0.00 N ATOM 67 CA ARG A 8 10.095 -7.753 13.313 1.00 0.00 C ATOM 68 C ARG A 8 10.880 -7.213 12.121 1.00 0.00 C ATOM 69 O ARG A 8 10.328 -6.529 11.260 1.00 0.00 O ATOM 70 CB ARG A 8 9.606 -9.172 13.014 1.00 0.00 C ATOM 71 CG ARG A 8 10.637 -10.247 13.316 1.00 0.00 C ATOM 72 CD ARG A 8 10.000 -11.626 13.383 1.00 0.00 C ATOM 73 NE ARG A 8 10.795 -12.559 14.177 1.00 0.00 N ATOM 74 CZ ARG A 8 11.817 -13.253 13.691 1.00 0.00 C ATOM 75 NH1 ARG A 8 12.168 -13.119 12.419 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.492 -14.082 14.477 1.00 0.00 N ATOM 0 H ARG A 8 8.782 -6.163 12.932 1.00 0.00 H new ATOM 0 HA ARG A 8 10.755 -7.778 14.180 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.707 -9.368 13.598 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.324 -9.236 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.409 -10.239 12.547 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.128 -10.026 14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.002 -11.544 13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.881 -12.019 12.374 1.00 0.00 H new ATOM 0 HE ARG A 8 10.551 -12.684 15.160 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.652 -12.482 11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.954 -13.653 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.226 -14.187 15.456 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.277 -14.615 14.102 1.00 0.00 H new ATOM 90 N GLY A 9 12.172 -7.524 12.079 1.00 0.00 N ATOM 91 CA GLY A 9 13.011 -7.061 10.989 1.00 0.00 C ATOM 92 C GLY A 9 14.090 -8.061 10.623 1.00 0.00 C ATOM 93 O GLY A 9 14.847 -8.511 11.484 1.00 0.00 O ATOM 0 H GLY A 9 12.652 -8.088 12.780 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.390 -6.865 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.476 -6.116 11.269 1.00 0.00 H new ATOM 97 N SER A 10 14.160 -8.412 9.343 1.00 0.00 N ATOM 98 CA SER A 10 15.150 -9.370 8.866 1.00 0.00 C ATOM 99 C SER A 10 15.501 -9.106 7.405 1.00 0.00 C ATOM 100 O SER A 10 14.944 -8.208 6.774 1.00 0.00 O ATOM 101 CB SER A 10 14.628 -10.799 9.027 1.00 0.00 C ATOM 102 OG SER A 10 13.627 -11.087 8.067 1.00 0.00 O ATOM 0 H SER A 10 13.543 -8.047 8.618 1.00 0.00 H new ATOM 0 HA SER A 10 16.052 -9.251 9.466 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.452 -11.505 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.223 -10.931 10.030 1.00 0.00 H new ATOM 0 HG SER A 10 13.311 -12.006 8.190 1.00 0.00 H new ATOM 108 N ARG A 11 16.427 -9.897 6.873 1.00 0.00 N ATOM 109 CA ARG A 11 16.854 -9.750 5.487 1.00 0.00 C ATOM 110 C ARG A 11 16.107 -10.725 4.582 1.00 0.00 C ATOM 111 O ARG A 11 16.631 -11.780 4.223 1.00 0.00 O ATOM 112 CB ARG A 11 18.362 -9.979 5.368 1.00 0.00 C ATOM 113 CG ARG A 11 19.191 -8.738 5.655 1.00 0.00 C ATOM 114 CD ARG A 11 19.133 -7.750 4.500 1.00 0.00 C ATOM 115 NE ARG A 11 19.842 -6.510 4.805 1.00 0.00 N ATOM 116 CZ ARG A 11 19.757 -5.413 4.060 1.00 0.00 C ATOM 117 NH1 ARG A 11 18.998 -5.402 2.973 1.00 0.00 N ATOM 118 NH2 ARG A 11 20.432 -4.323 4.403 1.00 0.00 N ATOM 0 H ARG A 11 16.896 -10.647 7.381 1.00 0.00 H new ATOM 0 HA ARG A 11 16.622 -8.734 5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 11 18.656 -10.770 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 11 18.589 -10.333 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.828 -8.259 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 11 20.226 -9.025 5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.567 -8.206 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.092 -7.525 4.267 1.00 0.00 H new ATOM 0 HE ARG A 11 20.435 -6.485 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 11 18.477 -6.237 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.935 -4.558 2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 11 21.016 -4.327 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.366 -3.481 3.831 1.00 0.00 H new ATOM 132 N PHE A 12 14.881 -10.365 4.216 1.00 0.00 N ATOM 133 CA PHE A 12 14.062 -11.209 3.354 1.00 0.00 C ATOM 134 C PHE A 12 13.903 -10.583 1.972 1.00 0.00 C ATOM 135 O PHE A 12 14.258 -9.423 1.758 1.00 0.00 O ATOM 136 CB PHE A 12 12.686 -11.435 3.985 1.00 0.00 C ATOM 137 CG PHE A 12 11.767 -12.266 3.136 1.00 0.00 C ATOM 138 CD1 PHE A 12 12.031 -13.607 2.913 1.00 0.00 C ATOM 139 CD2 PHE A 12 10.638 -11.704 2.560 1.00 0.00 C ATOM 140 CE1 PHE A 12 11.187 -14.375 2.132 1.00 0.00 C ATOM 141 CE2 PHE A 12 9.790 -12.466 1.779 1.00 0.00 C ATOM 142 CZ PHE A 12 10.065 -13.803 1.564 1.00 0.00 C ATOM 0 H PHE A 12 14.433 -9.495 4.503 1.00 0.00 H new ATOM 0 HA PHE A 12 14.566 -12.169 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 12 12.814 -11.922 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.219 -10.469 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 12 12.907 -14.059 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 12 10.419 -10.659 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 12 11.404 -15.420 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.913 -12.017 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 12 9.404 -14.400 0.953 1.00 0.00 H new ATOM 152 N THR A 13 13.368 -11.359 1.035 1.00 0.00 N ATOM 153 CA THR A 13 13.164 -10.883 -0.327 1.00 0.00 C ATOM 154 C THR A 13 12.032 -11.642 -1.011 1.00 0.00 C ATOM 155 O THR A 13 11.796 -12.815 -0.724 1.00 0.00 O ATOM 156 CB THR A 13 14.445 -11.027 -1.171 1.00 0.00 C ATOM 157 OG1 THR A 13 15.598 -10.814 -0.350 1.00 0.00 O ATOM 158 CG2 THR A 13 14.447 -10.035 -2.324 1.00 0.00 C ATOM 0 H THR A 13 13.068 -12.321 1.195 1.00 0.00 H new ATOM 0 HA THR A 13 12.901 -9.828 -0.256 1.00 0.00 H new ATOM 0 HB THR A 13 14.473 -12.037 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.408 -10.909 -0.893 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.361 -10.155 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.583 -10.218 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.398 -9.020 -1.931 1.00 0.00 H new ATOM 166 N TRP A 14 11.335 -10.964 -1.916 1.00 0.00 N ATOM 167 CA TRP A 14 10.227 -11.576 -2.641 1.00 0.00 C ATOM 168 C TRP A 14 10.591 -11.797 -4.105 1.00 0.00 C ATOM 169 O TRP A 14 10.408 -10.911 -4.940 1.00 0.00 O ATOM 170 CB TRP A 14 8.978 -10.698 -2.540 1.00 0.00 C ATOM 171 CG TRP A 14 8.110 -11.034 -1.366 1.00 0.00 C ATOM 172 CD1 TRP A 14 7.684 -10.178 -0.391 1.00 0.00 C ATOM 173 CD2 TRP A 14 7.563 -12.317 -1.043 1.00 0.00 C ATOM 174 NE1 TRP A 14 6.905 -10.852 0.519 1.00 0.00 N ATOM 175 CE2 TRP A 14 6.815 -12.166 0.141 1.00 0.00 C ATOM 176 CE3 TRP A 14 7.631 -13.579 -1.640 1.00 0.00 C ATOM 177 CZ2 TRP A 14 6.143 -13.229 0.737 1.00 0.00 C ATOM 178 CZ3 TRP A 14 6.963 -14.633 -1.047 1.00 0.00 C ATOM 179 CH2 TRP A 14 6.227 -14.453 0.131 1.00 0.00 C ATOM 0 H TRP A 14 11.517 -9.992 -2.165 1.00 0.00 H new ATOM 0 HA TRP A 14 10.019 -12.545 -2.187 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.281 -9.653 -2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 14 8.395 -10.801 -3.455 1.00 0.00 H new ATOM 0 HD1 TRP A 14 7.924 -9.126 -0.342 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.465 -10.441 1.342 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.196 -13.728 -2.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.575 -13.093 1.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.009 -15.613 -1.500 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.716 -15.297 0.570 1.00 0.00 H new ATOM 190 N ARG A 15 11.106 -12.984 -4.410 1.00 0.00 N ATOM 191 CA ARG A 15 11.496 -13.320 -5.774 1.00 0.00 C ATOM 192 C ARG A 15 10.334 -13.108 -6.739 1.00 0.00 C ATOM 193 O ARG A 15 9.171 -13.299 -6.381 1.00 0.00 O ATOM 194 CB ARG A 15 11.975 -14.771 -5.846 1.00 0.00 C ATOM 195 CG ARG A 15 13.358 -14.987 -5.253 1.00 0.00 C ATOM 196 CD ARG A 15 13.410 -14.562 -3.794 1.00 0.00 C ATOM 197 NE ARG A 15 14.723 -14.801 -3.201 1.00 0.00 N ATOM 198 CZ ARG A 15 15.738 -13.948 -3.296 1.00 0.00 C ATOM 199 NH1 ARG A 15 15.590 -12.808 -3.956 1.00 0.00 N ATOM 200 NH2 ARG A 15 16.903 -14.236 -2.729 1.00 0.00 N ATOM 0 H ARG A 15 11.263 -13.729 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 15 12.313 -12.660 -6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.261 -15.407 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.982 -15.091 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.631 -16.039 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.093 -14.420 -5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.164 -13.503 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.653 -15.107 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 15 14.869 -15.669 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.696 -12.584 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.370 -12.155 -4.027 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.020 -15.112 -2.220 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.682 -13.581 -2.802 1.00 0.00 H new ATOM 214 N LYS A 16 10.656 -12.712 -7.966 1.00 0.00 N ATOM 215 CA LYS A 16 9.640 -12.474 -8.985 1.00 0.00 C ATOM 216 C LYS A 16 8.778 -13.715 -9.194 1.00 0.00 C ATOM 217 O LYS A 16 7.608 -13.613 -9.560 1.00 0.00 O ATOM 218 CB LYS A 16 10.299 -12.069 -10.306 1.00 0.00 C ATOM 219 CG LYS A 16 11.065 -10.760 -10.227 1.00 0.00 C ATOM 220 CD LYS A 16 10.127 -9.568 -10.138 1.00 0.00 C ATOM 221 CE LYS A 16 9.495 -9.255 -11.486 1.00 0.00 C ATOM 222 NZ LYS A 16 10.465 -8.620 -12.420 1.00 0.00 N ATOM 0 H LYS A 16 11.613 -12.549 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 16 8.999 -11.662 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.980 -12.860 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.531 -11.985 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.721 -10.773 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.703 -10.657 -11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.345 -9.773 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.677 -8.697 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.112 -10.174 -11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.642 -8.592 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.958 -8.255 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.949 -7.836 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.166 -9.325 -12.725 1.00 0.00 H new ATOM 236 N GLU A 17 9.364 -14.884 -8.958 1.00 0.00 N ATOM 237 CA GLU A 17 8.648 -16.144 -9.120 1.00 0.00 C ATOM 238 C GLU A 17 7.551 -16.285 -8.069 1.00 0.00 C ATOM 239 O GLU A 17 6.422 -16.664 -8.381 1.00 0.00 O ATOM 240 CB GLU A 17 9.618 -17.324 -9.024 1.00 0.00 C ATOM 241 CG GLU A 17 10.841 -17.180 -9.913 1.00 0.00 C ATOM 242 CD GLU A 17 10.631 -17.769 -11.294 1.00 0.00 C ATOM 243 OE1 GLU A 17 9.623 -17.420 -11.942 1.00 0.00 O ATOM 244 OE2 GLU A 17 11.477 -18.580 -11.727 1.00 0.00 O ATOM 0 H GLU A 17 10.332 -14.985 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 17 8.184 -16.145 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.942 -17.434 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.091 -18.240 -9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.095 -16.124 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.691 -17.671 -9.438 1.00 0.00 H new ATOM 251 N CYS A 18 7.893 -15.980 -6.822 1.00 0.00 N ATOM 252 CA CYS A 18 6.938 -16.074 -5.723 1.00 0.00 C ATOM 253 C CYS A 18 5.874 -14.987 -5.832 1.00 0.00 C ATOM 254 O CYS A 18 4.753 -15.149 -5.349 1.00 0.00 O ATOM 255 CB CYS A 18 7.662 -15.964 -4.380 1.00 0.00 C ATOM 256 SG CYS A 18 9.182 -16.937 -4.279 1.00 0.00 S ATOM 0 H CYS A 18 8.824 -15.666 -6.547 1.00 0.00 H new ATOM 0 HA CYS A 18 6.446 -17.045 -5.784 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.900 -14.917 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.985 -16.284 -3.587 1.00 0.00 H new ATOM 0 HG CYS A 18 9.722 -16.777 -3.107 1.00 0.00 H new ATOM 262 N LEU A 19 6.234 -13.877 -6.467 1.00 0.00 N ATOM 263 CA LEU A 19 5.310 -12.760 -6.639 1.00 0.00 C ATOM 264 C LEU A 19 4.270 -13.073 -7.710 1.00 0.00 C ATOM 265 O LEU A 19 3.103 -12.705 -7.582 1.00 0.00 O ATOM 266 CB LEU A 19 6.078 -11.491 -7.013 1.00 0.00 C ATOM 267 CG LEU A 19 7.025 -10.941 -5.946 1.00 0.00 C ATOM 268 CD1 LEU A 19 7.617 -9.613 -6.392 1.00 0.00 C ATOM 269 CD2 LEU A 19 6.300 -10.785 -4.618 1.00 0.00 C ATOM 0 H LEU A 19 7.158 -13.726 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 19 4.793 -12.599 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.656 -11.693 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.356 -10.714 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 19 7.840 -11.652 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.288 -9.236 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.173 -9.755 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.815 -8.894 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.990 -10.392 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.465 -10.095 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.925 -11.755 -4.292 1.00 0.00 H new ATOM 281 N ALA A 20 4.702 -13.757 -8.764 1.00 0.00 N ATOM 282 CA ALA A 20 3.807 -14.123 -9.855 1.00 0.00 C ATOM 283 C ALA A 20 2.794 -15.171 -9.406 1.00 0.00 C ATOM 284 O ALA A 20 1.623 -15.118 -9.784 1.00 0.00 O ATOM 285 CB ALA A 20 4.607 -14.636 -11.044 1.00 0.00 C ATOM 0 H ALA A 20 5.666 -14.069 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 20 3.258 -13.231 -10.157 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.926 -14.906 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.287 -13.857 -11.388 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.181 -15.513 -10.745 1.00 0.00 H new ATOM 291 N VAL A 21 3.251 -16.122 -8.598 1.00 0.00 N ATOM 292 CA VAL A 21 2.384 -17.181 -8.097 1.00 0.00 C ATOM 293 C VAL A 21 1.406 -16.646 -7.057 1.00 0.00 C ATOM 294 O VAL A 21 0.253 -17.071 -6.998 1.00 0.00 O ATOM 295 CB VAL A 21 3.202 -18.328 -7.473 1.00 0.00 C ATOM 296 CG1 VAL A 21 2.282 -19.436 -6.984 1.00 0.00 C ATOM 297 CG2 VAL A 21 4.213 -18.866 -8.474 1.00 0.00 C ATOM 0 H VAL A 21 4.217 -16.181 -8.276 1.00 0.00 H new ATOM 0 HA VAL A 21 1.827 -17.564 -8.952 1.00 0.00 H new ATOM 0 HB VAL A 21 3.748 -17.937 -6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.878 -20.237 -6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.601 -19.038 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.707 -19.828 -7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.782 -19.675 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.690 -19.242 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.893 -18.067 -8.770 1.00 0.00 H new ATOM 307 N MET A 22 1.875 -15.709 -6.240 1.00 0.00 N ATOM 308 CA MET A 22 1.040 -15.113 -5.203 1.00 0.00 C ATOM 309 C MET A 22 -0.086 -14.288 -5.818 1.00 0.00 C ATOM 310 O MET A 22 -1.221 -14.320 -5.344 1.00 0.00 O ATOM 311 CB MET A 22 1.886 -14.234 -4.280 1.00 0.00 C ATOM 312 CG MET A 22 2.581 -15.009 -3.172 1.00 0.00 C ATOM 313 SD MET A 22 2.981 -13.977 -1.748 1.00 0.00 S ATOM 314 CE MET A 22 4.390 -13.066 -2.375 1.00 0.00 C ATOM 0 H MET A 22 2.828 -15.346 -6.276 1.00 0.00 H new ATOM 0 HA MET A 22 0.598 -15.920 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.637 -13.714 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.248 -13.471 -3.834 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.940 -15.831 -2.852 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.497 -15.452 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.871 -12.532 -1.556 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.101 -13.759 -2.824 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.056 -12.352 -3.128 1.00 0.00 H new ATOM 324 N GLU A 23 0.237 -13.551 -6.877 1.00 0.00 N ATOM 325 CA GLU A 23 -0.749 -12.718 -7.555 1.00 0.00 C ATOM 326 C GLU A 23 -1.862 -13.571 -8.156 1.00 0.00 C ATOM 327 O GLU A 23 -3.023 -13.163 -8.187 1.00 0.00 O ATOM 328 CB GLU A 23 -0.079 -11.888 -8.652 1.00 0.00 C ATOM 329 CG GLU A 23 0.433 -10.541 -8.170 1.00 0.00 C ATOM 330 CD GLU A 23 1.037 -9.712 -9.287 1.00 0.00 C ATOM 331 OE1 GLU A 23 0.607 -9.877 -10.448 1.00 0.00 O ATOM 332 OE2 GLU A 23 1.939 -8.898 -9.000 1.00 0.00 O ATOM 0 H GLU A 23 1.172 -13.514 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.188 -12.046 -6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.753 -12.456 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.792 -11.728 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.387 -9.987 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.182 -10.698 -7.394 1.00 0.00 H new ATOM 339 N SER A 24 -1.499 -14.757 -8.633 1.00 0.00 N ATOM 340 CA SER A 24 -2.465 -15.667 -9.237 1.00 0.00 C ATOM 341 C SER A 24 -3.493 -16.129 -8.209 1.00 0.00 C ATOM 342 O SER A 24 -4.694 -16.141 -8.478 1.00 0.00 O ATOM 343 CB SER A 24 -1.750 -16.878 -9.839 1.00 0.00 C ATOM 344 OG SER A 24 -2.544 -17.494 -10.838 1.00 0.00 O ATOM 0 H SER A 24 -0.542 -15.110 -8.613 1.00 0.00 H new ATOM 0 HA SER A 24 -2.986 -15.130 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.798 -16.566 -10.268 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.525 -17.599 -9.053 1.00 0.00 H new ATOM 0 HG SER A 24 -2.064 -18.264 -11.208 1.00 0.00 H new ATOM 350 N TYR A 25 -3.012 -16.507 -7.030 1.00 0.00 N ATOM 351 CA TYR A 25 -3.887 -16.973 -5.961 1.00 0.00 C ATOM 352 C TYR A 25 -4.767 -15.838 -5.444 1.00 0.00 C ATOM 353 O TYR A 25 -5.905 -16.059 -5.030 1.00 0.00 O ATOM 354 CB TYR A 25 -3.060 -17.555 -4.813 1.00 0.00 C ATOM 355 CG TYR A 25 -2.689 -19.007 -5.011 1.00 0.00 C ATOM 356 CD1 TYR A 25 -1.908 -19.404 -6.089 1.00 0.00 C ATOM 357 CD2 TYR A 25 -3.119 -19.983 -4.120 1.00 0.00 C ATOM 358 CE1 TYR A 25 -1.566 -20.730 -6.274 1.00 0.00 C ATOM 359 CE2 TYR A 25 -2.781 -21.310 -4.296 1.00 0.00 C ATOM 360 CZ TYR A 25 -2.005 -21.679 -5.375 1.00 0.00 C ATOM 361 OH TYR A 25 -1.667 -23.001 -5.555 1.00 0.00 O ATOM 0 H TYR A 25 -2.021 -16.500 -6.790 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.531 -17.753 -6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.149 -16.968 -4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.622 -17.455 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.562 -18.663 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.728 -19.698 -3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.958 -21.021 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.122 -22.055 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.055 -23.539 -4.834 1.00 0.00 H new ATOM 371 N PHE A 26 -4.230 -14.623 -5.473 1.00 0.00 N ATOM 372 CA PHE A 26 -4.965 -13.452 -5.007 1.00 0.00 C ATOM 373 C PHE A 26 -6.147 -13.152 -5.924 1.00 0.00 C ATOM 374 O PHE A 26 -7.214 -12.747 -5.465 1.00 0.00 O ATOM 375 CB PHE A 26 -4.038 -12.237 -4.938 1.00 0.00 C ATOM 376 CG PHE A 26 -4.641 -11.063 -4.220 1.00 0.00 C ATOM 377 CD1 PHE A 26 -5.629 -10.300 -4.821 1.00 0.00 C ATOM 378 CD2 PHE A 26 -4.219 -10.723 -2.945 1.00 0.00 C ATOM 379 CE1 PHE A 26 -6.186 -9.219 -4.163 1.00 0.00 C ATOM 380 CE2 PHE A 26 -4.773 -9.644 -2.282 1.00 0.00 C ATOM 381 CZ PHE A 26 -5.757 -8.891 -2.892 1.00 0.00 C ATOM 0 H PHE A 26 -3.290 -14.423 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.347 -13.667 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.113 -12.523 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.771 -11.935 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.968 -10.552 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.449 -11.307 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.955 -8.632 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.437 -9.390 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.190 -8.047 -2.376 1.00 0.00 H new ATOM 391 N ASN A 27 -5.948 -13.354 -7.222 1.00 0.00 N ATOM 392 CA ASN A 27 -6.997 -13.105 -8.204 1.00 0.00 C ATOM 393 C ASN A 27 -8.182 -14.040 -7.985 1.00 0.00 C ATOM 394 O ASN A 27 -9.335 -13.650 -8.165 1.00 0.00 O ATOM 395 CB ASN A 27 -6.449 -13.281 -9.622 1.00 0.00 C ATOM 396 CG ASN A 27 -5.754 -12.034 -10.133 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.164 -11.449 -11.136 1.00 0.00 O ATOM 398 ND2 ASN A 27 -4.697 -11.621 -9.444 1.00 0.00 N ATOM 0 H ASN A 27 -5.070 -13.689 -7.618 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.340 -12.078 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.748 -14.116 -9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.267 -13.539 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.189 -10.787 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.393 -12.137 -8.619 1.00 0.00 H new ATOM 405 N GLU A 28 -7.888 -15.276 -7.594 1.00 0.00 N ATOM 406 CA GLU A 28 -8.930 -16.267 -7.350 1.00 0.00 C ATOM 407 C GLU A 28 -9.500 -16.122 -5.942 1.00 0.00 C ATOM 408 O GLU A 28 -10.684 -16.362 -5.713 1.00 0.00 O ATOM 409 CB GLU A 28 -8.376 -17.680 -7.544 1.00 0.00 C ATOM 410 CG GLU A 28 -7.491 -18.150 -6.402 1.00 0.00 C ATOM 411 CD GLU A 28 -7.364 -19.660 -6.345 1.00 0.00 C ATOM 412 OE1 GLU A 28 -7.204 -20.283 -7.415 1.00 0.00 O ATOM 413 OE2 GLU A 28 -7.424 -20.218 -5.229 1.00 0.00 O ATOM 0 H GLU A 28 -6.938 -15.615 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.733 -16.097 -8.068 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.208 -18.375 -7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.805 -17.713 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.500 -17.710 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.899 -17.788 -5.458 1.00 0.00 H new ATOM 420 N ASN A 29 -8.646 -15.728 -5.002 1.00 0.00 N ATOM 421 CA ASN A 29 -9.064 -15.551 -3.616 1.00 0.00 C ATOM 422 C ASN A 29 -8.231 -14.473 -2.930 1.00 0.00 C ATOM 423 O ASN A 29 -7.007 -14.578 -2.851 1.00 0.00 O ATOM 424 CB ASN A 29 -8.939 -16.871 -2.852 1.00 0.00 C ATOM 425 CG ASN A 29 -9.775 -16.888 -1.587 1.00 0.00 C ATOM 426 OD1 ASN A 29 -10.344 -15.870 -1.192 1.00 0.00 O ATOM 427 ND2 ASN A 29 -9.853 -18.048 -0.945 1.00 0.00 N ATOM 0 H ASN A 29 -7.661 -15.526 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.107 -15.235 -3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -9.247 -17.693 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.893 -17.042 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.401 -18.121 -0.088 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.365 -18.866 -1.309 1.00 0.00 H new ATOM 434 N GLN A 30 -8.903 -13.439 -2.435 1.00 0.00 N ATOM 435 CA GLN A 30 -8.224 -12.341 -1.756 1.00 0.00 C ATOM 436 C GLN A 30 -7.579 -12.820 -0.460 1.00 0.00 C ATOM 437 O GLN A 30 -6.481 -12.388 -0.105 1.00 0.00 O ATOM 438 CB GLN A 30 -9.209 -11.209 -1.461 1.00 0.00 C ATOM 439 CG GLN A 30 -9.993 -10.751 -2.681 1.00 0.00 C ATOM 440 CD GLN A 30 -9.209 -9.788 -3.550 1.00 0.00 C ATOM 441 OE1 GLN A 30 -8.918 -10.078 -4.711 1.00 0.00 O ATOM 442 NE2 GLN A 30 -8.863 -8.634 -2.992 1.00 0.00 N ATOM 0 H GLN A 30 -9.916 -13.338 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.440 -11.968 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.908 -11.538 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.662 -10.360 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.277 -11.621 -3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.917 -10.272 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.125 -8.435 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.335 -7.946 -3.529 1.00 0.00 H new ATOM 451 N TYR A 31 -8.266 -13.713 0.243 1.00 0.00 N ATOM 452 CA TYR A 31 -7.761 -14.248 1.502 1.00 0.00 C ATOM 453 C TYR A 31 -7.656 -15.769 1.445 1.00 0.00 C ATOM 454 O TYR A 31 -8.616 -16.493 1.705 1.00 0.00 O ATOM 455 CB TYR A 31 -8.671 -13.832 2.659 1.00 0.00 C ATOM 456 CG TYR A 31 -9.170 -12.408 2.555 1.00 0.00 C ATOM 457 CD1 TYR A 31 -10.106 -12.047 1.594 1.00 0.00 C ATOM 458 CD2 TYR A 31 -8.706 -11.424 3.420 1.00 0.00 C ATOM 459 CE1 TYR A 31 -10.564 -10.748 1.495 1.00 0.00 C ATOM 460 CE2 TYR A 31 -9.160 -10.122 3.329 1.00 0.00 C ATOM 461 CZ TYR A 31 -10.088 -9.789 2.365 1.00 0.00 C ATOM 462 OH TYR A 31 -10.543 -8.494 2.271 1.00 0.00 O ATOM 0 H TYR A 31 -9.175 -14.082 -0.038 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.764 -13.839 1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.527 -14.506 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.129 -13.951 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.482 -12.795 0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.979 -11.681 4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.291 -10.484 0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.790 -9.369 4.009 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.110 -7.944 2.957 1.00 0.00 H new ATOM 472 N PRO A 32 -6.459 -16.265 1.096 1.00 0.00 N ATOM 473 CA PRO A 32 -6.198 -17.704 0.997 1.00 0.00 C ATOM 474 C PRO A 32 -6.194 -18.388 2.360 1.00 0.00 C ATOM 475 O PRO A 32 -5.417 -18.026 3.244 1.00 0.00 O ATOM 476 CB PRO A 32 -4.806 -17.768 0.362 1.00 0.00 C ATOM 477 CG PRO A 32 -4.162 -16.476 0.728 1.00 0.00 C ATOM 478 CD PRO A 32 -5.270 -15.460 0.772 1.00 0.00 C ATOM 0 HA PRO A 32 -6.968 -18.220 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.236 -18.616 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.870 -17.886 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.661 -16.549 1.693 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.404 -16.196 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.084 -14.696 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.381 -14.945 -0.182 1.00 0.00 H new ATOM 486 N ASP A 33 -7.065 -19.377 2.523 1.00 0.00 N ATOM 487 CA ASP A 33 -7.160 -20.113 3.778 1.00 0.00 C ATOM 488 C ASP A 33 -5.803 -20.683 4.178 1.00 0.00 C ATOM 489 O ASP A 33 -4.842 -20.615 3.414 1.00 0.00 O ATOM 490 CB ASP A 33 -8.186 -21.241 3.656 1.00 0.00 C ATOM 491 CG ASP A 33 -9.518 -20.757 3.118 1.00 0.00 C ATOM 492 OD1 ASP A 33 -10.145 -19.896 3.772 1.00 0.00 O ATOM 493 OD2 ASP A 33 -9.934 -21.238 2.044 1.00 0.00 O ATOM 0 H ASP A 33 -7.716 -19.688 1.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.485 -19.420 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.792 -22.017 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.337 -21.698 4.634 1.00 0.00 H new ATOM 498 N GLU A 34 -5.734 -21.244 5.382 1.00 0.00 N ATOM 499 CA GLU A 34 -4.494 -21.824 5.883 1.00 0.00 C ATOM 500 C GLU A 34 -3.959 -22.881 4.921 1.00 0.00 C ATOM 501 O GLU A 34 -2.760 -22.942 4.654 1.00 0.00 O ATOM 502 CB GLU A 34 -4.717 -22.443 7.265 1.00 0.00 C ATOM 503 CG GLU A 34 -3.491 -23.147 7.821 1.00 0.00 C ATOM 504 CD GLU A 34 -3.726 -23.723 9.204 1.00 0.00 C ATOM 505 OE1 GLU A 34 -4.459 -23.090 9.993 1.00 0.00 O ATOM 506 OE2 GLU A 34 -3.178 -24.806 9.497 1.00 0.00 O ATOM 0 H GLU A 34 -6.521 -21.309 6.027 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.757 -21.026 5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.022 -21.660 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.540 -23.156 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.198 -23.948 7.143 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.660 -22.443 7.861 1.00 0.00 H new ATOM 513 N ALA A 35 -4.859 -23.711 4.404 1.00 0.00 N ATOM 514 CA ALA A 35 -4.479 -24.764 3.470 1.00 0.00 C ATOM 515 C ALA A 35 -4.050 -24.180 2.129 1.00 0.00 C ATOM 516 O ALA A 35 -3.119 -24.675 1.493 1.00 0.00 O ATOM 517 CB ALA A 35 -5.630 -25.741 3.279 1.00 0.00 C ATOM 0 H ALA A 35 -5.856 -23.675 4.616 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.629 -25.300 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.332 -26.522 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.888 -26.192 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.496 -25.210 2.883 1.00 0.00 H new ATOM 523 N LYS A 36 -4.735 -23.124 1.702 1.00 0.00 N ATOM 524 CA LYS A 36 -4.425 -22.471 0.436 1.00 0.00 C ATOM 525 C LYS A 36 -3.059 -21.796 0.492 1.00 0.00 C ATOM 526 O LYS A 36 -2.285 -21.860 -0.464 1.00 0.00 O ATOM 527 CB LYS A 36 -5.502 -21.439 0.094 1.00 0.00 C ATOM 528 CG LYS A 36 -5.321 -20.800 -1.272 1.00 0.00 C ATOM 529 CD LYS A 36 -5.645 -21.776 -2.391 1.00 0.00 C ATOM 530 CE LYS A 36 -7.147 -21.927 -2.580 1.00 0.00 C ATOM 531 NZ LYS A 36 -7.499 -23.239 -3.190 1.00 0.00 N ATOM 0 H LYS A 36 -5.509 -22.702 2.215 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.402 -23.234 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.479 -21.920 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.499 -20.658 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.965 -19.925 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.294 -20.451 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.193 -21.429 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.206 -22.748 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.646 -21.829 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.516 -21.121 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.531 -23.304 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.043 -23.322 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.169 -24.008 -2.573 1.00 0.00 H new ATOM 545 N ARG A 37 -2.768 -21.151 1.617 1.00 0.00 N ATOM 546 CA ARG A 37 -1.495 -20.464 1.797 1.00 0.00 C ATOM 547 C ARG A 37 -0.328 -21.441 1.673 1.00 0.00 C ATOM 548 O ARG A 37 0.714 -21.109 1.110 1.00 0.00 O ATOM 549 CB ARG A 37 -1.452 -19.772 3.160 1.00 0.00 C ATOM 550 CG ARG A 37 -2.364 -18.560 3.257 1.00 0.00 C ATOM 551 CD ARG A 37 -2.023 -17.701 4.464 1.00 0.00 C ATOM 552 NE ARG A 37 -2.753 -18.118 5.657 1.00 0.00 N ATOM 553 CZ ARG A 37 -2.371 -19.121 6.439 1.00 0.00 C ATOM 554 NH1 ARG A 37 -1.272 -19.806 6.155 1.00 0.00 N ATOM 555 NH2 ARG A 37 -3.089 -19.441 7.509 1.00 0.00 N ATOM 0 H ARG A 37 -3.397 -21.090 2.418 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.403 -19.712 1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.732 -20.490 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.428 -19.463 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.277 -17.964 2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.401 -18.888 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.952 -17.756 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.254 -16.659 4.244 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.603 -17.611 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.717 -19.563 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.981 -20.576 6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.935 -18.916 7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.795 -20.212 8.109 1.00 0.00 H new ATOM 569 N GLU A 38 -0.513 -22.645 2.205 1.00 0.00 N ATOM 570 CA GLU A 38 0.525 -23.668 2.156 1.00 0.00 C ATOM 571 C GLU A 38 0.744 -24.152 0.725 1.00 0.00 C ATOM 572 O GLU A 38 1.871 -24.433 0.320 1.00 0.00 O ATOM 573 CB GLU A 38 0.151 -24.849 3.054 1.00 0.00 C ATOM 574 CG GLU A 38 0.655 -24.713 4.480 1.00 0.00 C ATOM 575 CD GLU A 38 0.014 -25.712 5.424 1.00 0.00 C ATOM 576 OE1 GLU A 38 0.015 -26.918 5.100 1.00 0.00 O ATOM 577 OE2 GLU A 38 -0.488 -25.288 6.486 1.00 0.00 O ATOM 0 H GLU A 38 -1.371 -22.936 2.674 1.00 0.00 H new ATOM 0 HA GLU A 38 1.453 -23.226 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.934 -24.953 3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.553 -25.765 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.736 -24.849 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.456 -23.702 4.837 1.00 0.00 H new ATOM 584 N GLU A 39 -0.344 -24.247 -0.034 1.00 0.00 N ATOM 585 CA GLU A 39 -0.271 -24.699 -1.419 1.00 0.00 C ATOM 586 C GLU A 39 0.461 -23.678 -2.286 1.00 0.00 C ATOM 587 O GLU A 39 1.336 -24.034 -3.076 1.00 0.00 O ATOM 588 CB GLU A 39 -1.676 -24.942 -1.974 1.00 0.00 C ATOM 589 CG GLU A 39 -1.692 -25.771 -3.247 1.00 0.00 C ATOM 590 CD GLU A 39 -1.187 -27.184 -3.030 1.00 0.00 C ATOM 591 OE1 GLU A 39 -1.993 -28.047 -2.624 1.00 0.00 O ATOM 592 OE2 GLU A 39 0.015 -27.427 -3.267 1.00 0.00 O ATOM 0 H GLU A 39 -1.285 -24.017 0.286 1.00 0.00 H new ATOM 0 HA GLU A 39 0.287 -25.635 -1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.275 -25.445 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.151 -23.981 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.709 -25.809 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.077 -25.282 -4.002 1.00 0.00 H new ATOM 599 N ILE A 40 0.096 -22.410 -2.132 1.00 0.00 N ATOM 600 CA ILE A 40 0.717 -21.338 -2.900 1.00 0.00 C ATOM 601 C ILE A 40 2.143 -21.078 -2.426 1.00 0.00 C ATOM 602 O ILE A 40 3.014 -20.713 -3.216 1.00 0.00 O ATOM 603 CB ILE A 40 -0.092 -20.032 -2.800 1.00 0.00 C ATOM 604 CG1 ILE A 40 0.286 -19.083 -3.939 1.00 0.00 C ATOM 605 CG2 ILE A 40 0.142 -19.367 -1.451 1.00 0.00 C ATOM 606 CD1 ILE A 40 1.707 -18.572 -3.854 1.00 0.00 C ATOM 0 H ILE A 40 -0.627 -22.100 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 40 0.736 -21.664 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.152 -20.271 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.150 -19.598 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.398 -18.234 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.436 -18.445 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.171 -20.041 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.202 -19.138 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.905 -17.905 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.843 -18.029 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.399 -19.414 -3.888 1.00 0.00 H new ATOM 618 N ALA A 41 2.375 -21.270 -1.132 1.00 0.00 N ATOM 619 CA ALA A 41 3.696 -21.061 -0.553 1.00 0.00 C ATOM 620 C ALA A 41 4.694 -22.090 -1.074 1.00 0.00 C ATOM 621 O ALA A 41 5.809 -21.746 -1.463 1.00 0.00 O ATOM 622 CB ALA A 41 3.622 -21.115 0.965 1.00 0.00 C ATOM 0 H ALA A 41 1.665 -21.570 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 41 4.044 -20.073 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.616 -20.957 1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.949 -20.336 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.248 -22.090 1.277 1.00 0.00 H new ATOM 628 N ASN A 42 4.284 -23.355 -1.077 1.00 0.00 N ATOM 629 CA ASN A 42 5.143 -24.435 -1.549 1.00 0.00 C ATOM 630 C ASN A 42 5.520 -24.231 -3.013 1.00 0.00 C ATOM 631 O ASN A 42 6.656 -24.480 -3.413 1.00 0.00 O ATOM 632 CB ASN A 42 4.443 -25.784 -1.374 1.00 0.00 C ATOM 633 CG ASN A 42 4.697 -26.394 -0.009 1.00 0.00 C ATOM 634 OD1 ASN A 42 5.786 -26.899 0.265 1.00 0.00 O ATOM 635 ND2 ASN A 42 3.689 -26.351 0.855 1.00 0.00 N ATOM 0 H ASN A 42 3.363 -23.657 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 42 6.056 -24.426 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.370 -25.655 -1.517 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.787 -26.472 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.800 -26.747 1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.804 -25.922 0.585 1.00 0.00 H new ATOM 642 N ALA A 43 4.557 -23.774 -3.808 1.00 0.00 N ATOM 643 CA ALA A 43 4.788 -23.534 -5.227 1.00 0.00 C ATOM 644 C ALA A 43 5.843 -22.453 -5.436 1.00 0.00 C ATOM 645 O ALA A 43 6.627 -22.513 -6.383 1.00 0.00 O ATOM 646 CB ALA A 43 3.487 -23.145 -5.914 1.00 0.00 C ATOM 0 H ALA A 43 3.610 -23.563 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 43 5.159 -24.457 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.674 -22.969 -6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.762 -23.951 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.093 -22.236 -5.459 1.00 0.00 H new ATOM 652 N CYS A 44 5.856 -21.466 -4.547 1.00 0.00 N ATOM 653 CA CYS A 44 6.814 -20.370 -4.635 1.00 0.00 C ATOM 654 C CYS A 44 8.236 -20.872 -4.410 1.00 0.00 C ATOM 655 O CYS A 44 9.170 -20.445 -5.087 1.00 0.00 O ATOM 656 CB CYS A 44 6.475 -19.285 -3.612 1.00 0.00 C ATOM 657 SG CYS A 44 4.945 -18.389 -3.966 1.00 0.00 S ATOM 0 H CYS A 44 5.214 -21.402 -3.757 1.00 0.00 H new ATOM 0 HA CYS A 44 6.752 -19.946 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.396 -19.743 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.299 -18.573 -3.567 1.00 0.00 H new ATOM 0 HG CYS A 44 4.743 -17.494 -3.045 1.00 0.00 H new ATOM 663 N ASN A 45 8.393 -21.780 -3.452 1.00 0.00 N ATOM 664 CA ASN A 45 9.702 -22.339 -3.136 1.00 0.00 C ATOM 665 C ASN A 45 10.213 -23.210 -4.280 1.00 0.00 C ATOM 666 O ASN A 45 11.416 -23.276 -4.534 1.00 0.00 O ATOM 667 CB ASN A 45 9.631 -23.161 -1.847 1.00 0.00 C ATOM 668 CG ASN A 45 9.756 -22.300 -0.605 1.00 0.00 C ATOM 669 OD1 ASN A 45 10.620 -21.426 -0.526 1.00 0.00 O ATOM 670 ND2 ASN A 45 8.892 -22.543 0.373 1.00 0.00 N ATOM 0 H ASN A 45 7.630 -22.144 -2.881 1.00 0.00 H new ATOM 0 HA ASN A 45 10.398 -21.512 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.686 -23.703 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.426 -23.907 -1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.928 -21.995 1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.192 -23.277 0.265 1.00 0.00 H new ATOM 677 N ALA A 46 9.291 -23.875 -4.967 1.00 0.00 N ATOM 678 CA ALA A 46 9.647 -24.739 -6.086 1.00 0.00 C ATOM 679 C ALA A 46 10.113 -23.921 -7.285 1.00 0.00 C ATOM 680 O ALA A 46 11.141 -24.220 -7.892 1.00 0.00 O ATOM 681 CB ALA A 46 8.466 -25.618 -6.471 1.00 0.00 C ATOM 0 H ALA A 46 8.291 -23.832 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 46 10.473 -25.377 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.746 -26.258 -7.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.181 -26.237 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.624 -24.990 -6.761 1.00 0.00 H new ATOM 687 N VAL A 47 9.350 -22.886 -7.623 1.00 0.00 N ATOM 688 CA VAL A 47 9.685 -22.024 -8.750 1.00 0.00 C ATOM 689 C VAL A 47 11.061 -21.394 -8.569 1.00 0.00 C ATOM 690 O VAL A 47 11.741 -21.074 -9.545 1.00 0.00 O ATOM 691 CB VAL A 47 8.641 -20.907 -8.932 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.339 -21.475 -9.476 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.405 -20.179 -7.617 1.00 0.00 C ATOM 0 H VAL A 47 8.495 -22.624 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 47 9.691 -22.654 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 47 9.027 -20.189 -9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.614 -20.670 -9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.523 -21.947 -10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.946 -22.215 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.664 -19.393 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.041 -20.885 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.340 -19.737 -7.273 1.00 0.00 H new ATOM 703 N ILE A 48 11.466 -21.219 -7.316 1.00 0.00 N ATOM 704 CA ILE A 48 12.763 -20.629 -7.008 1.00 0.00 C ATOM 705 C ILE A 48 13.807 -21.706 -6.736 1.00 0.00 C ATOM 706 O ILE A 48 14.991 -21.520 -7.014 1.00 0.00 O ATOM 707 CB ILE A 48 12.679 -19.692 -5.788 1.00 0.00 C ATOM 708 CG1 ILE A 48 12.364 -20.493 -4.523 1.00 0.00 C ATOM 709 CG2 ILE A 48 11.627 -18.618 -6.017 1.00 0.00 C ATOM 710 CD1 ILE A 48 12.304 -19.646 -3.271 1.00 0.00 C ATOM 0 H ILE A 48 10.915 -21.477 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 48 13.062 -20.050 -7.882 1.00 0.00 H new ATOM 0 HB ILE A 48 13.645 -19.205 -5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.409 -21.002 -4.654 1.00 0.00 H new ATOM 0 HG13 ILE A 48 13.122 -21.265 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 48 11.579 -17.964 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.891 -18.032 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.655 -19.087 -6.172 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.077 -20.280 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 48 13.266 -19.157 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.526 -18.890 -3.380 1.00 0.00 H new ATOM 722 N GLN A 49 13.359 -22.834 -6.194 1.00 0.00 N ATOM 723 CA GLN A 49 14.255 -23.942 -5.886 1.00 0.00 C ATOM 724 C GLN A 49 15.119 -24.294 -7.092 1.00 0.00 C ATOM 725 O GLN A 49 14.611 -24.703 -8.136 1.00 0.00 O ATOM 726 CB GLN A 49 13.452 -25.167 -5.444 1.00 0.00 C ATOM 727 CG GLN A 49 14.315 -26.376 -5.123 1.00 0.00 C ATOM 728 CD GLN A 49 13.692 -27.277 -4.075 1.00 0.00 C ATOM 729 OE1 GLN A 49 12.656 -27.900 -4.312 1.00 0.00 O ATOM 730 NE2 GLN A 49 14.320 -27.351 -2.907 1.00 0.00 N ATOM 0 H GLN A 49 12.381 -23.004 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 49 14.909 -23.632 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.863 -24.907 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.747 -25.433 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.484 -26.949 -6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.290 -26.038 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.176 -26.818 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.946 -27.941 -2.164 1.00 0.00 H new ATOM 739 N LYS A 50 16.430 -24.132 -6.942 1.00 0.00 N ATOM 740 CA LYS A 50 17.367 -24.433 -8.018 1.00 0.00 C ATOM 741 C LYS A 50 17.852 -25.877 -7.928 1.00 0.00 C ATOM 742 O LYS A 50 17.940 -26.462 -6.848 1.00 0.00 O ATOM 743 CB LYS A 50 18.561 -23.478 -7.964 1.00 0.00 C ATOM 744 CG LYS A 50 18.166 -22.012 -7.934 1.00 0.00 C ATOM 745 CD LYS A 50 17.597 -21.561 -9.269 1.00 0.00 C ATOM 746 CE LYS A 50 17.466 -20.047 -9.336 1.00 0.00 C ATOM 747 NZ LYS A 50 18.776 -19.388 -9.596 1.00 0.00 N ATOM 0 H LYS A 50 16.867 -23.794 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 50 16.847 -24.301 -8.967 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.156 -23.703 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.198 -23.656 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.428 -21.849 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.036 -21.405 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.242 -21.908 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.620 -22.019 -9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.762 -19.778 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.053 -19.676 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.639 -18.360 -9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.430 -19.596 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.175 -19.747 -10.487 1.00 0.00 H new ATOM 761 N PRO A 51 18.177 -26.466 -9.089 1.00 0.00 N ATOM 762 CA PRO A 51 18.661 -27.847 -9.167 1.00 0.00 C ATOM 763 C PRO A 51 20.061 -28.005 -8.582 1.00 0.00 C ATOM 764 O PRO A 51 20.968 -27.238 -8.903 1.00 0.00 O ATOM 765 CB PRO A 51 18.675 -28.134 -10.670 1.00 0.00 C ATOM 766 CG PRO A 51 18.820 -26.796 -11.310 1.00 0.00 C ATOM 767 CD PRO A 51 18.097 -25.828 -10.414 1.00 0.00 C ATOM 0 HA PRO A 51 18.035 -28.531 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.500 -28.793 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.756 -28.627 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 51 19.871 -26.524 -11.412 1.00 0.00 H new ATOM 0 HG3 PRO A 51 18.392 -26.794 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 51 18.571 -24.847 -10.417 1.00 0.00 H new ATOM 0 HD3 PRO A 51 17.064 -25.684 -10.729 1.00 0.00 H new ATOM 775 N GLY A 52 20.229 -29.005 -7.722 1.00 0.00 N ATOM 776 CA GLY A 52 21.521 -29.245 -7.107 1.00 0.00 C ATOM 777 C GLY A 52 21.862 -28.211 -6.052 1.00 0.00 C ATOM 778 O GLY A 52 22.999 -28.140 -5.585 1.00 0.00 O ATOM 0 H GLY A 52 19.493 -29.653 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.526 -30.237 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.293 -29.242 -7.877 1.00 0.00 H new ATOM 782 N LYS A 53 20.875 -27.404 -5.676 1.00 0.00 N ATOM 783 CA LYS A 53 21.075 -26.368 -4.671 1.00 0.00 C ATOM 784 C LYS A 53 20.135 -26.570 -3.486 1.00 0.00 C ATOM 785 O LYS A 53 19.165 -27.322 -3.572 1.00 0.00 O ATOM 786 CB LYS A 53 20.850 -24.983 -5.283 1.00 0.00 C ATOM 787 CG LYS A 53 21.717 -24.708 -6.500 1.00 0.00 C ATOM 788 CD LYS A 53 23.063 -24.125 -6.105 1.00 0.00 C ATOM 789 CE LYS A 53 22.977 -22.622 -5.888 1.00 0.00 C ATOM 790 NZ LYS A 53 23.110 -21.869 -7.166 1.00 0.00 N ATOM 0 H LYS A 53 19.928 -27.448 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 53 22.102 -26.438 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 53 19.802 -24.885 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 53 21.049 -24.224 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 21.869 -25.633 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 53 21.201 -24.017 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 53 23.415 -24.606 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 23.796 -24.340 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 53 22.024 -22.377 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 53 23.761 -22.309 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 23.046 -20.849 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 24.030 -22.083 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 22.347 -22.149 -7.815 1.00 0.00 H new ATOM 804 N LYS A 54 20.429 -25.893 -2.382 1.00 0.00 N ATOM 805 CA LYS A 54 19.609 -25.996 -1.180 1.00 0.00 C ATOM 806 C LYS A 54 18.916 -24.671 -0.879 1.00 0.00 C ATOM 807 O LYS A 54 19.513 -23.602 -1.014 1.00 0.00 O ATOM 808 CB LYS A 54 20.469 -26.417 0.014 1.00 0.00 C ATOM 809 CG LYS A 54 21.538 -25.403 0.381 1.00 0.00 C ATOM 810 CD LYS A 54 21.930 -25.511 1.845 1.00 0.00 C ATOM 811 CE LYS A 54 23.078 -26.490 2.044 1.00 0.00 C ATOM 812 NZ LYS A 54 24.403 -25.829 1.891 1.00 0.00 N ATOM 0 H LYS A 54 21.229 -25.267 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 54 18.845 -26.754 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.823 -26.580 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.947 -27.371 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.417 -25.558 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.173 -24.397 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.219 -24.529 2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 54 21.069 -25.834 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.007 -26.936 3.036 1.00 0.00 H new ATOM 0 HE3 LYS A 54 22.992 -27.302 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.159 -26.529 2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 24.481 -25.425 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.496 -25.070 2.596 1.00 0.00 H new ATOM 826 N LEU A 55 17.655 -24.748 -0.471 1.00 0.00 N ATOM 827 CA LEU A 55 16.881 -23.554 -0.149 1.00 0.00 C ATOM 828 C LEU A 55 17.241 -23.028 1.237 1.00 0.00 C ATOM 829 O LEU A 55 17.470 -23.803 2.166 1.00 0.00 O ATOM 830 CB LEU A 55 15.383 -23.859 -0.217 1.00 0.00 C ATOM 831 CG LEU A 55 14.734 -23.729 -1.595 1.00 0.00 C ATOM 832 CD1 LEU A 55 13.322 -24.294 -1.576 1.00 0.00 C ATOM 833 CD2 LEU A 55 14.722 -22.275 -2.045 1.00 0.00 C ATOM 0 H LEU A 55 17.146 -25.624 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 55 17.123 -22.786 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 55 15.223 -24.875 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 55 14.865 -23.191 0.471 1.00 0.00 H new ATOM 0 HG LEU A 55 15.324 -24.304 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.876 -24.193 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.355 -25.348 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.721 -23.747 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.256 -22.202 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 55 14.156 -21.678 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 55 15.745 -21.903 -2.100 1.00 0.00 H new ATOM 845 N SER A 56 17.288 -21.706 1.369 1.00 0.00 N ATOM 846 CA SER A 56 17.622 -21.077 2.641 1.00 0.00 C ATOM 847 C SER A 56 16.394 -20.416 3.260 1.00 0.00 C ATOM 848 O SER A 56 15.452 -20.050 2.557 1.00 0.00 O ATOM 849 CB SER A 56 18.729 -20.039 2.446 1.00 0.00 C ATOM 850 OG SER A 56 20.009 -20.617 2.636 1.00 0.00 O ATOM 0 H SER A 56 17.099 -21.050 0.611 1.00 0.00 H new ATOM 0 HA SER A 56 17.976 -21.853 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.663 -19.616 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.589 -19.217 3.149 1.00 0.00 H new ATOM 0 HG SER A 56 20.699 -19.934 2.504 1.00 0.00 H new ATOM 856 N ASP A 57 16.412 -20.268 4.580 1.00 0.00 N ATOM 857 CA ASP A 57 15.300 -19.651 5.295 1.00 0.00 C ATOM 858 C ASP A 57 15.020 -18.250 4.759 1.00 0.00 C ATOM 859 O ASP A 57 13.913 -17.730 4.900 1.00 0.00 O ATOM 860 CB ASP A 57 15.603 -19.586 6.793 1.00 0.00 C ATOM 861 CG ASP A 57 15.593 -20.954 7.445 1.00 0.00 C ATOM 862 OD1 ASP A 57 16.264 -21.867 6.921 1.00 0.00 O ATOM 863 OD2 ASP A 57 14.913 -21.111 8.481 1.00 0.00 O ATOM 0 H ASP A 57 17.184 -20.566 5.177 1.00 0.00 H new ATOM 0 HA ASP A 57 14.413 -20.265 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.578 -19.122 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.867 -18.948 7.282 1.00 0.00 H new ATOM 868 N LEU A 58 16.030 -17.644 4.144 1.00 0.00 N ATOM 869 CA LEU A 58 15.893 -16.303 3.587 1.00 0.00 C ATOM 870 C LEU A 58 15.062 -16.327 2.308 1.00 0.00 C ATOM 871 O LEU A 58 14.319 -15.388 2.023 1.00 0.00 O ATOM 872 CB LEU A 58 17.272 -15.705 3.302 1.00 0.00 C ATOM 873 CG LEU A 58 18.032 -15.163 4.513 1.00 0.00 C ATOM 874 CD1 LEU A 58 18.734 -16.291 5.251 1.00 0.00 C ATOM 875 CD2 LEU A 58 19.033 -14.101 4.082 1.00 0.00 C ATOM 0 H LEU A 58 16.953 -18.060 4.019 1.00 0.00 H new ATOM 0 HA LEU A 58 15.379 -15.682 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 58 17.886 -16.469 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.153 -14.896 2.581 1.00 0.00 H new ATOM 0 HG LEU A 58 17.314 -14.703 5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 58 19.270 -15.886 6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.996 -17.017 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 58 19.441 -16.780 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 58 19.565 -13.726 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.746 -14.536 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 58 18.506 -13.279 3.598 1.00 0.00 H new ATOM 887 N GLU A 59 15.191 -17.407 1.545 1.00 0.00 N ATOM 888 CA GLU A 59 14.450 -17.553 0.297 1.00 0.00 C ATOM 889 C GLU A 59 13.226 -18.444 0.492 1.00 0.00 C ATOM 890 O GLU A 59 12.325 -18.470 -0.346 1.00 0.00 O ATOM 891 CB GLU A 59 15.352 -18.136 -0.793 1.00 0.00 C ATOM 892 CG GLU A 59 16.701 -17.446 -0.900 1.00 0.00 C ATOM 893 CD GLU A 59 17.456 -17.834 -2.157 1.00 0.00 C ATOM 894 OE1 GLU A 59 17.518 -19.043 -2.462 1.00 0.00 O ATOM 895 OE2 GLU A 59 17.984 -16.929 -2.835 1.00 0.00 O ATOM 0 H GLU A 59 15.801 -18.193 1.768 1.00 0.00 H new ATOM 0 HA GLU A 59 14.112 -16.564 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.510 -19.196 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.840 -18.065 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.555 -16.366 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.303 -17.696 -0.027 1.00 0.00 H new ATOM 902 N ARG A 60 13.204 -19.173 1.602 1.00 0.00 N ATOM 903 CA ARG A 60 12.093 -20.067 1.907 1.00 0.00 C ATOM 904 C ARG A 60 10.801 -19.280 2.107 1.00 0.00 C ATOM 905 O ARG A 60 10.757 -18.326 2.884 1.00 0.00 O ATOM 906 CB ARG A 60 12.401 -20.890 3.159 1.00 0.00 C ATOM 907 CG ARG A 60 11.488 -22.091 3.339 1.00 0.00 C ATOM 908 CD ARG A 60 12.157 -23.181 4.162 1.00 0.00 C ATOM 909 NE ARG A 60 12.217 -22.837 5.580 1.00 0.00 N ATOM 910 CZ ARG A 60 12.334 -23.737 6.550 1.00 0.00 C ATOM 911 NH1 ARG A 60 12.404 -25.028 6.257 1.00 0.00 N ATOM 912 NH2 ARG A 60 12.382 -23.345 7.817 1.00 0.00 N ATOM 0 H ARG A 60 13.943 -19.163 2.305 1.00 0.00 H new ATOM 0 HA ARG A 60 11.960 -20.742 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.434 -21.234 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.318 -20.247 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.566 -21.778 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.211 -22.489 2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.610 -24.116 4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.166 -23.350 3.787 1.00 0.00 H new ATOM 0 HE ARG A 60 12.166 -21.852 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.368 -25.333 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.494 -25.716 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.329 -22.352 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.472 -24.036 8.562 1.00 0.00 H new ATOM 926 N VAL A 61 9.751 -19.687 1.401 1.00 0.00 N ATOM 927 CA VAL A 61 8.458 -19.021 1.502 1.00 0.00 C ATOM 928 C VAL A 61 7.487 -19.832 2.353 1.00 0.00 C ATOM 929 O VAL A 61 6.940 -20.839 1.902 1.00 0.00 O ATOM 930 CB VAL A 61 7.836 -18.790 0.112 1.00 0.00 C ATOM 931 CG1 VAL A 61 6.452 -18.172 0.242 1.00 0.00 C ATOM 932 CG2 VAL A 61 8.743 -17.914 -0.738 1.00 0.00 C ATOM 0 H VAL A 61 9.770 -20.475 0.753 1.00 0.00 H new ATOM 0 HA VAL A 61 8.635 -18.056 1.978 1.00 0.00 H new ATOM 0 HB VAL A 61 7.731 -19.754 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.028 -18.016 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.807 -18.841 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.528 -17.215 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.288 -17.761 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 61 8.882 -16.950 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.710 -18.402 -0.860 1.00 0.00 H new ATOM 942 N THR A 62 7.275 -19.386 3.587 1.00 0.00 N ATOM 943 CA THR A 62 6.371 -20.070 4.503 1.00 0.00 C ATOM 944 C THR A 62 4.931 -19.613 4.297 1.00 0.00 C ATOM 945 O THR A 62 4.682 -18.571 3.691 1.00 0.00 O ATOM 946 CB THR A 62 6.769 -19.829 5.971 1.00 0.00 C ATOM 947 OG1 THR A 62 6.710 -18.430 6.272 1.00 0.00 O ATOM 948 CG2 THR A 62 8.171 -20.352 6.244 1.00 0.00 C ATOM 0 H THR A 62 7.718 -18.553 3.975 1.00 0.00 H new ATOM 0 HA THR A 62 6.447 -21.135 4.285 1.00 0.00 H new ATOM 0 HB THR A 62 6.067 -20.367 6.607 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.963 -18.286 7.208 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.430 -20.171 7.287 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.206 -21.423 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.883 -19.838 5.598 1.00 0.00 H new ATOM 956 N SER A 63 3.987 -20.397 4.806 1.00 0.00 N ATOM 957 CA SER A 63 2.571 -20.074 4.675 1.00 0.00 C ATOM 958 C SER A 63 2.270 -18.702 5.270 1.00 0.00 C ATOM 959 O SER A 63 1.379 -17.992 4.804 1.00 0.00 O ATOM 960 CB SER A 63 1.717 -21.140 5.365 1.00 0.00 C ATOM 961 OG SER A 63 2.000 -21.201 6.752 1.00 0.00 O ATOM 0 H SER A 63 4.177 -21.261 5.313 1.00 0.00 H new ATOM 0 HA SER A 63 2.325 -20.053 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.661 -20.917 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.905 -22.112 4.909 1.00 0.00 H new ATOM 0 HG SER A 63 1.440 -21.888 7.170 1.00 0.00 H new ATOM 967 N LEU A 64 3.021 -18.335 6.303 1.00 0.00 N ATOM 968 CA LEU A 64 2.836 -17.047 6.964 1.00 0.00 C ATOM 969 C LEU A 64 3.322 -15.905 6.077 1.00 0.00 C ATOM 970 O LEU A 64 2.710 -14.838 6.029 1.00 0.00 O ATOM 971 CB LEU A 64 3.582 -17.025 8.299 1.00 0.00 C ATOM 972 CG LEU A 64 3.802 -15.646 8.922 1.00 0.00 C ATOM 973 CD1 LEU A 64 2.470 -14.983 9.236 1.00 0.00 C ATOM 974 CD2 LEU A 64 4.653 -15.758 10.178 1.00 0.00 C ATOM 0 H LEU A 64 3.763 -18.910 6.701 1.00 0.00 H new ATOM 0 HA LEU A 64 1.770 -16.911 7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.031 -17.639 9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.554 -17.497 8.157 1.00 0.00 H new ATOM 0 HG LEU A 64 4.333 -15.024 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.647 -14.003 9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.895 -14.868 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.912 -15.603 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.799 -14.767 10.608 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.149 -16.397 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.621 -16.190 9.924 1.00 0.00 H new ATOM 986 N LYS A 65 4.426 -16.138 5.375 1.00 0.00 N ATOM 987 CA LYS A 65 4.994 -15.131 4.486 1.00 0.00 C ATOM 988 C LYS A 65 3.993 -14.730 3.407 1.00 0.00 C ATOM 989 O LYS A 65 3.862 -13.552 3.074 1.00 0.00 O ATOM 990 CB LYS A 65 6.276 -15.659 3.837 1.00 0.00 C ATOM 991 CG LYS A 65 7.530 -15.369 4.644 1.00 0.00 C ATOM 992 CD LYS A 65 8.776 -15.880 3.940 1.00 0.00 C ATOM 993 CE LYS A 65 9.975 -15.899 4.875 1.00 0.00 C ATOM 994 NZ LYS A 65 10.238 -14.559 5.467 1.00 0.00 N ATOM 0 H LYS A 65 4.945 -17.015 5.404 1.00 0.00 H new ATOM 0 HA LYS A 65 5.232 -14.249 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.185 -16.736 3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.381 -15.216 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.618 -14.295 4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.448 -15.836 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.594 -16.885 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.994 -15.248 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.802 -16.621 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.857 -16.234 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.997 -14.635 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.528 -13.899 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.373 -14.206 5.924 1.00 0.00 H new ATOM 1008 N VAL A 66 3.287 -15.718 2.865 1.00 0.00 N ATOM 1009 CA VAL A 66 2.295 -15.468 1.826 1.00 0.00 C ATOM 1010 C VAL A 66 1.170 -14.579 2.343 1.00 0.00 C ATOM 1011 O VAL A 66 0.713 -13.670 1.648 1.00 0.00 O ATOM 1012 CB VAL A 66 1.694 -16.783 1.296 1.00 0.00 C ATOM 1013 CG1 VAL A 66 0.544 -16.498 0.343 1.00 0.00 C ATOM 1014 CG2 VAL A 66 2.765 -17.622 0.616 1.00 0.00 C ATOM 0 H VAL A 66 3.384 -16.699 3.128 1.00 0.00 H new ATOM 0 HA VAL A 66 2.811 -14.959 1.012 1.00 0.00 H new ATOM 0 HB VAL A 66 1.303 -17.350 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.132 -17.439 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.233 -15.940 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.907 -15.910 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.323 -18.548 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.188 -17.064 -0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.553 -17.856 1.332 1.00 0.00 H new ATOM 1024 N TYR A 67 0.727 -14.846 3.566 1.00 0.00 N ATOM 1025 CA TYR A 67 -0.347 -14.072 4.176 1.00 0.00 C ATOM 1026 C TYR A 67 0.064 -12.613 4.352 1.00 0.00 C ATOM 1027 O TYR A 67 -0.747 -11.703 4.183 1.00 0.00 O ATOM 1028 CB TYR A 67 -0.731 -14.671 5.530 1.00 0.00 C ATOM 1029 CG TYR A 67 -1.936 -14.012 6.164 1.00 0.00 C ATOM 1030 CD1 TYR A 67 -3.191 -14.099 5.575 1.00 0.00 C ATOM 1031 CD2 TYR A 67 -1.818 -13.305 7.354 1.00 0.00 C ATOM 1032 CE1 TYR A 67 -4.293 -13.498 6.150 1.00 0.00 C ATOM 1033 CE2 TYR A 67 -2.916 -12.702 7.938 1.00 0.00 C ATOM 1034 CZ TYR A 67 -4.151 -12.801 7.332 1.00 0.00 C ATOM 1035 OH TYR A 67 -5.247 -12.202 7.910 1.00 0.00 O ATOM 0 H TYR A 67 1.095 -15.593 4.155 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.210 -14.110 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.934 -15.734 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.118 -14.587 6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.307 -14.646 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.852 -13.225 7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.261 -13.573 5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.808 -12.156 8.864 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.976 -11.753 8.738 1.00 0.00 H new ATOM 1045 N ASN A 68 1.331 -12.400 4.691 1.00 0.00 N ATOM 1046 CA ASN A 68 1.853 -11.052 4.889 1.00 0.00 C ATOM 1047 C ASN A 68 1.834 -10.264 3.583 1.00 0.00 C ATOM 1048 O ASN A 68 1.448 -9.095 3.558 1.00 0.00 O ATOM 1049 CB ASN A 68 3.278 -11.110 5.442 1.00 0.00 C ATOM 1050 CG ASN A 68 3.309 -11.154 6.958 1.00 0.00 C ATOM 1051 OD1 ASN A 68 2.923 -10.195 7.626 1.00 0.00 O ATOM 1052 ND2 ASN A 68 3.770 -12.272 7.508 1.00 0.00 N ATOM 0 H ASN A 68 2.015 -13.143 4.834 1.00 0.00 H new ATOM 0 HA ASN A 68 1.212 -10.543 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.783 -11.991 5.045 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.835 -10.240 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.814 -12.360 8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.079 -13.042 6.915 1.00 0.00 H new ATOM 1059 N TRP A 69 2.253 -10.911 2.502 1.00 0.00 N ATOM 1060 CA TRP A 69 2.283 -10.271 1.192 1.00 0.00 C ATOM 1061 C TRP A 69 0.873 -9.958 0.706 1.00 0.00 C ATOM 1062 O TRP A 69 0.623 -8.896 0.134 1.00 0.00 O ATOM 1063 CB TRP A 69 2.998 -11.167 0.180 1.00 0.00 C ATOM 1064 CG TRP A 69 3.087 -10.564 -1.189 1.00 0.00 C ATOM 1065 CD1 TRP A 69 4.151 -9.893 -1.722 1.00 0.00 C ATOM 1066 CD2 TRP A 69 2.072 -10.576 -2.199 1.00 0.00 C ATOM 1067 NE1 TRP A 69 3.858 -9.487 -3.001 1.00 0.00 N ATOM 1068 CE2 TRP A 69 2.589 -9.894 -3.318 1.00 0.00 C ATOM 1069 CE3 TRP A 69 0.777 -11.098 -2.267 1.00 0.00 C ATOM 1070 CZ2 TRP A 69 1.855 -9.721 -4.488 1.00 0.00 C ATOM 1071 CZ3 TRP A 69 0.050 -10.925 -3.429 1.00 0.00 C ATOM 1072 CH2 TRP A 69 0.590 -10.243 -4.527 1.00 0.00 C ATOM 0 H TRP A 69 2.577 -11.878 2.506 1.00 0.00 H new ATOM 0 HA TRP A 69 2.830 -9.333 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.004 -11.380 0.541 1.00 0.00 H new ATOM 0 HB3 TRP A 69 2.474 -12.121 0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 69 5.085 -9.709 -1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.484 -8.967 -3.615 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.353 -11.627 -1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.269 -9.194 -5.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.952 -11.323 -3.492 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.003 -10.127 -5.422 1.00 0.00 H new ATOM 1083 N PHE A 70 -0.048 -10.889 0.935 1.00 0.00 N ATOM 1084 CA PHE A 70 -1.434 -10.712 0.519 1.00 0.00 C ATOM 1085 C PHE A 70 -2.069 -9.523 1.234 1.00 0.00 C ATOM 1086 O PHE A 70 -2.743 -8.701 0.615 1.00 0.00 O ATOM 1087 CB PHE A 70 -2.240 -11.982 0.803 1.00 0.00 C ATOM 1088 CG PHE A 70 -2.245 -12.956 -0.340 1.00 0.00 C ATOM 1089 CD1 PHE A 70 -1.061 -13.507 -0.804 1.00 0.00 C ATOM 1090 CD2 PHE A 70 -3.433 -13.321 -0.952 1.00 0.00 C ATOM 1091 CE1 PHE A 70 -1.062 -14.404 -1.855 1.00 0.00 C ATOM 1092 CE2 PHE A 70 -3.441 -14.218 -2.003 1.00 0.00 C ATOM 1093 CZ PHE A 70 -2.254 -14.759 -2.456 1.00 0.00 C ATOM 0 H PHE A 70 0.141 -11.774 1.406 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.443 -10.516 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.831 -12.473 1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.268 -11.706 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.126 -13.232 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.364 -12.899 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.132 -14.827 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.375 -14.496 -2.470 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.258 -15.459 -3.279 1.00 0.00 H new ATOM 1103 N ALA A 71 -1.849 -9.441 2.542 1.00 0.00 N ATOM 1104 CA ALA A 71 -2.398 -8.353 3.342 1.00 0.00 C ATOM 1105 C ALA A 71 -1.954 -6.997 2.804 1.00 0.00 C ATOM 1106 O ALA A 71 -2.729 -6.043 2.783 1.00 0.00 O ATOM 1107 CB ALA A 71 -1.983 -8.506 4.798 1.00 0.00 C ATOM 0 H ALA A 71 -1.295 -10.115 3.070 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.485 -8.402 3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.400 -7.687 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.356 -9.455 5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.896 -8.487 4.870 1.00 0.00 H new ATOM 1113 N ASN A 72 -0.700 -6.920 2.369 1.00 0.00 N ATOM 1114 CA ASN A 72 -0.152 -5.680 1.831 1.00 0.00 C ATOM 1115 C ASN A 72 -0.903 -5.254 0.573 1.00 0.00 C ATOM 1116 O ASN A 72 -1.086 -4.063 0.320 1.00 0.00 O ATOM 1117 CB ASN A 72 1.336 -5.849 1.518 1.00 0.00 C ATOM 1118 CG ASN A 72 2.067 -4.522 1.452 1.00 0.00 C ATOM 1119 OD1 ASN A 72 1.457 -3.475 1.236 1.00 0.00 O ATOM 1120 ND2 ASN A 72 3.381 -4.561 1.639 1.00 0.00 N ATOM 0 H ASN A 72 -0.045 -7.701 2.379 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.272 -4.902 2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.796 -6.477 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.448 -6.370 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.927 -3.700 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.845 -5.452 1.815 1.00 0.00 H new ATOM 1127 N ARG A 73 -1.336 -6.236 -0.212 1.00 0.00 N ATOM 1128 CA ARG A 73 -2.066 -5.963 -1.444 1.00 0.00 C ATOM 1129 C ARG A 73 -3.474 -5.459 -1.141 1.00 0.00 C ATOM 1130 O ARG A 73 -3.915 -4.451 -1.693 1.00 0.00 O ATOM 1131 CB ARG A 73 -2.139 -7.223 -2.308 1.00 0.00 C ATOM 1132 CG ARG A 73 -3.199 -7.155 -3.395 1.00 0.00 C ATOM 1133 CD ARG A 73 -2.781 -6.227 -4.524 1.00 0.00 C ATOM 1134 NE ARG A 73 -3.904 -5.875 -5.388 1.00 0.00 N ATOM 1135 CZ ARG A 73 -3.762 -5.386 -6.615 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -2.552 -5.193 -7.120 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -4.833 -5.090 -7.341 1.00 0.00 N ATOM 0 H ARG A 73 -1.194 -7.227 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.530 -5.187 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.167 -7.393 -2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.342 -8.081 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.379 -8.154 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.139 -6.808 -2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.348 -5.319 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.003 -6.707 -5.118 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.849 -6.012 -5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.726 -5.420 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.447 -4.817 -8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.766 -5.238 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.723 -4.715 -8.283 1.00 0.00 H new ATOM 1151 N ARG A 74 -4.174 -6.167 -0.261 1.00 0.00 N ATOM 1152 CA ARG A 74 -5.532 -5.792 0.114 1.00 0.00 C ATOM 1153 C ARG A 74 -5.568 -4.377 0.684 1.00 0.00 C ATOM 1154 O ARG A 74 -6.449 -3.584 0.350 1.00 0.00 O ATOM 1155 CB ARG A 74 -6.092 -6.780 1.139 1.00 0.00 C ATOM 1156 CG ARG A 74 -6.031 -8.229 0.685 1.00 0.00 C ATOM 1157 CD ARG A 74 -7.102 -9.071 1.361 1.00 0.00 C ATOM 1158 NE ARG A 74 -6.698 -9.500 2.697 1.00 0.00 N ATOM 1159 CZ ARG A 74 -5.932 -10.561 2.928 1.00 0.00 C ATOM 1160 NH1 ARG A 74 -5.490 -11.296 1.917 1.00 0.00 N ATOM 1161 NH2 ARG A 74 -5.607 -10.888 4.172 1.00 0.00 N ATOM 0 H ARG A 74 -3.823 -7.003 0.206 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.150 -5.820 -0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.537 -6.677 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.128 -6.519 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.157 -8.278 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.047 -8.641 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.026 -8.497 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.315 -9.947 0.748 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.021 -8.956 3.497 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.738 -11.048 0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.902 -12.110 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.945 -10.325 4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.019 -11.703 4.348 1.00 0.00 H new ATOM 1175 N LYS A 75 -4.606 -4.067 1.545 1.00 0.00 N ATOM 1176 CA LYS A 75 -4.526 -2.748 2.162 1.00 0.00 C ATOM 1177 C LYS A 75 -4.112 -1.694 1.139 1.00 0.00 C ATOM 1178 O LYS A 75 -4.533 -0.541 1.219 1.00 0.00 O ATOM 1179 CB LYS A 75 -3.530 -2.765 3.324 1.00 0.00 C ATOM 1180 CG LYS A 75 -2.079 -2.842 2.880 1.00 0.00 C ATOM 1181 CD LYS A 75 -1.131 -2.819 4.068 1.00 0.00 C ATOM 1182 CE LYS A 75 -1.328 -4.034 4.962 1.00 0.00 C ATOM 1183 NZ LYS A 75 -0.350 -4.061 6.084 1.00 0.00 N ATOM 0 H LYS A 75 -3.870 -4.712 1.832 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.515 -2.492 2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.670 -1.867 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.750 -3.617 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.921 -3.754 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.855 -2.005 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.101 -2.791 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.293 -1.910 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.341 -4.029 5.364 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.225 -4.942 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.517 -4.904 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.617 -4.091 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.465 -3.207 6.666 1.00 0.00 H new ATOM 1197 N GLU A 76 -3.287 -2.099 0.179 1.00 0.00 N ATOM 1198 CA GLU A 76 -2.818 -1.189 -0.859 1.00 0.00 C ATOM 1199 C GLU A 76 -3.947 -0.835 -1.823 1.00 0.00 C ATOM 1200 O GLU A 76 -4.037 0.296 -2.302 1.00 0.00 O ATOM 1201 CB GLU A 76 -1.653 -1.814 -1.629 1.00 0.00 C ATOM 1202 CG GLU A 76 -0.295 -1.544 -1.002 1.00 0.00 C ATOM 1203 CD GLU A 76 0.767 -2.522 -1.467 1.00 0.00 C ATOM 1204 OE1 GLU A 76 0.422 -3.696 -1.717 1.00 0.00 O ATOM 1205 OE2 GLU A 76 1.941 -2.114 -1.580 1.00 0.00 O ATOM 0 H GLU A 76 -2.930 -3.051 0.099 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.475 -0.274 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.807 -2.891 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.655 -1.431 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.019 -0.529 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.383 -1.598 0.083 1.00 0.00 H new ATOM 1212 N ILE A 77 -4.805 -1.810 -2.103 1.00 0.00 N ATOM 1213 CA ILE A 77 -5.928 -1.602 -3.009 1.00 0.00 C ATOM 1214 C ILE A 77 -7.069 -0.871 -2.310 1.00 0.00 C ATOM 1215 O ILE A 77 -7.688 0.027 -2.882 1.00 0.00 O ATOM 1216 CB ILE A 77 -6.454 -2.937 -3.569 1.00 0.00 C ATOM 1217 CG1 ILE A 77 -6.916 -3.847 -2.428 1.00 0.00 C ATOM 1218 CG2 ILE A 77 -5.380 -3.623 -4.400 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -7.481 -5.168 -2.901 1.00 0.00 C ATOM 0 H ILE A 77 -4.744 -2.752 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.560 -0.992 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.309 -2.732 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.074 -4.038 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.673 -3.326 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.767 -4.565 -4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.095 -2.977 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.507 -3.819 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.788 -5.762 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.343 -4.986 -3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.719 -5.710 -3.462 1.00 0.00 H new ATOM 1231 N LYS A 78 -7.343 -1.260 -1.070 1.00 0.00 N ATOM 1232 CA LYS A 78 -8.408 -0.641 -0.290 1.00 0.00 C ATOM 1233 C LYS A 78 -8.052 0.798 0.071 1.00 0.00 C ATOM 1234 O LYS A 78 -8.908 1.682 0.055 1.00 0.00 O ATOM 1235 CB LYS A 78 -8.671 -1.447 0.984 1.00 0.00 C ATOM 1236 CG LYS A 78 -7.547 -1.360 2.002 1.00 0.00 C ATOM 1237 CD LYS A 78 -7.761 -0.209 2.971 1.00 0.00 C ATOM 1238 CE LYS A 78 -8.836 -0.537 3.996 1.00 0.00 C ATOM 1239 NZ LYS A 78 -8.358 -1.522 5.005 1.00 0.00 N ATOM 0 H LYS A 78 -6.841 -2.002 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.312 -0.632 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.594 -1.093 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.828 -2.492 0.717 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.483 -2.296 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.596 -1.230 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.825 0.016 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.045 0.686 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.148 0.377 4.501 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.714 -0.935 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.095 -1.668 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.148 -2.426 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.496 -1.161 5.461 1.00 0.00 H new ATOM 1253 N ARG A 79 -6.783 1.025 0.395 1.00 0.00 N ATOM 1254 CA ARG A 79 -6.314 2.356 0.759 1.00 0.00 C ATOM 1255 C ARG A 79 -6.411 3.311 -0.427 1.00 0.00 C ATOM 1256 O ARG A 79 -6.730 4.489 -0.265 1.00 0.00 O ATOM 1257 CB ARG A 79 -4.870 2.293 1.259 1.00 0.00 C ATOM 1258 CG ARG A 79 -4.303 3.645 1.658 1.00 0.00 C ATOM 1259 CD ARG A 79 -2.792 3.689 1.488 1.00 0.00 C ATOM 1260 NE ARG A 79 -2.163 4.623 2.417 1.00 0.00 N ATOM 1261 CZ ARG A 79 -0.890 4.992 2.340 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -0.113 4.507 1.380 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -0.390 5.847 3.223 1.00 0.00 N ATOM 0 H ARG A 79 -6.062 0.304 0.413 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.952 2.731 1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.820 1.621 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.243 1.862 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.761 4.426 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.560 3.856 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.381 2.692 1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.551 3.978 0.465 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.733 5.014 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.493 3.849 0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.865 4.792 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.984 6.222 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.588 6.129 3.162 1.00 0.00 H new ATOM 1277 N ARG A 80 -6.133 2.794 -1.620 1.00 0.00 N ATOM 1278 CA ARG A 80 -6.188 3.600 -2.833 1.00 0.00 C ATOM 1279 C ARG A 80 -7.633 3.861 -3.249 1.00 0.00 C ATOM 1280 O ARG A 80 -7.934 4.873 -3.881 1.00 0.00 O ATOM 1281 CB ARG A 80 -5.438 2.902 -3.969 1.00 0.00 C ATOM 1282 CG ARG A 80 -4.880 3.860 -5.010 1.00 0.00 C ATOM 1283 CD ARG A 80 -4.652 3.163 -6.342 1.00 0.00 C ATOM 1284 NE ARG A 80 -3.592 3.800 -7.118 1.00 0.00 N ATOM 1285 CZ ARG A 80 -3.028 3.246 -8.186 1.00 0.00 C ATOM 1286 NH1 ARG A 80 -3.423 2.051 -8.603 1.00 0.00 N ATOM 1287 NH2 ARG A 80 -2.069 3.889 -8.840 1.00 0.00 N ATOM 0 H ARG A 80 -5.868 1.821 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.710 4.557 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.619 2.319 -3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.111 2.198 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -5.570 4.693 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.940 4.281 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.394 2.119 -6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.577 3.170 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.266 4.721 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.161 1.555 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.989 1.628 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.764 4.809 -8.523 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.637 3.463 -9.660 1.00 0.00 H new ATOM 1301 N ALA A 81 -8.521 2.941 -2.889 1.00 0.00 N ATOM 1302 CA ALA A 81 -9.934 3.072 -3.223 1.00 0.00 C ATOM 1303 C ALA A 81 -10.624 4.076 -2.305 1.00 0.00 C ATOM 1304 O ALA A 81 -11.703 4.577 -2.618 1.00 0.00 O ATOM 1305 CB ALA A 81 -10.624 1.718 -3.140 1.00 0.00 C ATOM 0 H ALA A 81 -8.287 2.097 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.007 3.443 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.678 1.831 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.155 1.027 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.533 1.325 -2.128 1.00 0.00 H new ATOM 1311 N ASN A 82 -9.994 4.364 -1.171 1.00 0.00 N ATOM 1312 CA ASN A 82 -10.549 5.307 -0.207 1.00 0.00 C ATOM 1313 C ASN A 82 -10.844 6.650 -0.868 1.00 0.00 C ATOM 1314 O ASN A 82 -11.807 7.330 -0.513 1.00 0.00 O ATOM 1315 CB ASN A 82 -9.581 5.503 0.962 1.00 0.00 C ATOM 1316 CG ASN A 82 -10.192 6.314 2.089 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -10.656 7.435 1.880 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -10.194 5.749 3.290 1.00 0.00 N ATOM 0 H ASN A 82 -9.099 3.958 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.485 4.894 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.275 4.529 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.681 6.003 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.591 6.246 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.798 4.817 3.416 1.00 0.00 H new ATOM 1325 N ILE A 83 -10.008 7.026 -1.831 1.00 0.00 N ATOM 1326 CA ILE A 83 -10.180 8.286 -2.542 1.00 0.00 C ATOM 1327 C ILE A 83 -11.270 8.174 -3.603 1.00 0.00 C ATOM 1328 O ILE A 83 -11.079 8.581 -4.749 1.00 0.00 O ATOM 1329 CB ILE A 83 -8.870 8.737 -3.214 1.00 0.00 C ATOM 1330 CG1 ILE A 83 -7.703 8.625 -2.230 1.00 0.00 C ATOM 1331 CG2 ILE A 83 -9.001 10.162 -3.728 1.00 0.00 C ATOM 1332 CD1 ILE A 83 -7.008 7.281 -2.267 1.00 0.00 C ATOM 0 H ILE A 83 -9.205 6.476 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.473 9.029 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.670 8.083 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.976 9.407 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.071 8.807 -1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -8.067 10.466 -4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -9.809 10.213 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -9.221 10.830 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.192 7.273 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.721 6.496 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.610 7.105 -3.266 1.00 0.00 H new ATOM 1344 N ALA A 84 -12.413 7.621 -3.213 1.00 0.00 N ATOM 1345 CA ALA A 84 -13.535 7.459 -4.130 1.00 0.00 C ATOM 1346 C ALA A 84 -14.491 8.644 -4.043 1.00 0.00 C ATOM 1347 O ALA A 84 -15.555 8.551 -3.433 1.00 0.00 O ATOM 1348 CB ALA A 84 -14.273 6.161 -3.836 1.00 0.00 C ATOM 0 H ALA A 84 -12.587 7.277 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.140 7.418 -5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -15.108 6.053 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -13.591 5.319 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.649 6.180 -2.813 1.00 0.00 H new ATOM 1354 N ALA A 85 -14.102 9.757 -4.656 1.00 0.00 N ATOM 1355 CA ALA A 85 -14.925 10.960 -4.649 1.00 0.00 C ATOM 1356 C ALA A 85 -15.252 11.393 -3.223 1.00 0.00 C ATOM 1357 O ALA A 85 -16.257 12.062 -2.983 1.00 0.00 O ATOM 1358 CB ALA A 85 -16.205 10.729 -5.438 1.00 0.00 C ATOM 0 H ALA A 85 -13.222 9.851 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.358 11.761 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.810 11.636 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.956 10.474 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -16.767 9.911 -4.988 1.00 0.00 H new ATOM 1364 N ILE A 86 -14.397 11.007 -2.282 1.00 0.00 N ATOM 1365 CA ILE A 86 -14.596 11.356 -0.881 1.00 0.00 C ATOM 1366 C ILE A 86 -14.002 12.725 -0.566 1.00 0.00 C ATOM 1367 O ILE A 86 -14.609 13.530 0.142 1.00 0.00 O ATOM 1368 CB ILE A 86 -13.966 10.308 0.055 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -14.629 8.945 -0.151 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -14.090 10.750 1.505 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -16.104 9.033 -0.473 1.00 0.00 C ATOM 0 H ILE A 86 -13.560 10.453 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 86 -15.672 11.382 -0.712 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.907 10.216 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.120 8.421 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.497 8.346 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.640 9.999 2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.576 11.702 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -15.143 10.867 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -16.508 8.029 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -16.626 9.529 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -16.243 9.604 -1.391 1.00 0.00 H new ATOM 1383 N LEU A 87 -12.812 12.984 -1.098 1.00 0.00 N ATOM 1384 CA LEU A 87 -12.136 14.257 -0.875 1.00 0.00 C ATOM 1385 C LEU A 87 -13.024 15.426 -1.290 1.00 0.00 C ATOM 1386 O LEU A 87 -13.917 15.273 -2.124 1.00 0.00 O ATOM 1387 CB LEU A 87 -10.820 14.301 -1.654 1.00 0.00 C ATOM 1388 CG LEU A 87 -9.642 13.556 -1.023 1.00 0.00 C ATOM 1389 CD1 LEU A 87 -9.306 14.145 0.338 1.00 0.00 C ATOM 1390 CD2 LEU A 87 -9.953 12.072 -0.903 1.00 0.00 C ATOM 0 H LEU A 87 -12.296 12.330 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.925 14.346 0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.995 13.888 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.535 15.344 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.773 13.673 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.466 13.603 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.040 15.196 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.171 14.059 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.104 11.558 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.835 11.934 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.143 11.659 -1.894 1.00 0.00 H new ATOM 1402 N GLU A 88 -12.771 16.592 -0.705 1.00 0.00 N ATOM 1403 CA GLU A 88 -13.548 17.786 -1.016 1.00 0.00 C ATOM 1404 C GLU A 88 -12.827 18.651 -2.046 1.00 0.00 C ATOM 1405 O GLU A 88 -11.820 19.290 -1.740 1.00 0.00 O ATOM 1406 CB GLU A 88 -13.808 18.598 0.255 1.00 0.00 C ATOM 1407 CG GLU A 88 -14.849 17.976 1.171 1.00 0.00 C ATOM 1408 CD GLU A 88 -15.244 18.894 2.312 1.00 0.00 C ATOM 1409 OE1 GLU A 88 -15.631 20.049 2.038 1.00 0.00 O ATOM 1410 OE2 GLU A 88 -15.168 18.455 3.479 1.00 0.00 O ATOM 0 H GLU A 88 -12.035 16.735 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.502 17.468 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.873 18.708 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.134 19.600 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.735 17.723 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.459 17.043 1.578 1.00 0.00 H new ATOM 1417 N SER A 89 -13.350 18.666 -3.268 1.00 0.00 N ATOM 1418 CA SER A 89 -12.754 19.449 -4.345 1.00 0.00 C ATOM 1419 C SER A 89 -13.792 20.361 -4.992 1.00 0.00 C ATOM 1420 O SER A 89 -14.986 20.061 -4.989 1.00 0.00 O ATOM 1421 CB SER A 89 -12.144 18.523 -5.399 1.00 0.00 C ATOM 1422 OG SER A 89 -11.373 19.255 -6.336 1.00 0.00 O ATOM 0 H SER A 89 -14.185 18.145 -3.537 1.00 0.00 H new ATOM 0 HA SER A 89 -11.967 20.070 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.517 17.776 -4.912 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.937 17.985 -5.918 1.00 0.00 H new ATOM 0 HG SER A 89 -10.993 18.640 -6.998 1.00 0.00 H new ATOM 1428 N SER A 90 -13.327 21.477 -5.545 1.00 0.00 N ATOM 1429 CA SER A 90 -14.215 22.436 -6.192 1.00 0.00 C ATOM 1430 C SER A 90 -13.467 23.237 -7.253 1.00 0.00 C ATOM 1431 O SER A 90 -12.324 23.645 -7.049 1.00 0.00 O ATOM 1432 CB SER A 90 -14.821 23.382 -5.155 1.00 0.00 C ATOM 1433 OG SER A 90 -16.015 22.847 -4.612 1.00 0.00 O ATOM 0 H SER A 90 -12.341 21.739 -5.558 1.00 0.00 H new ATOM 0 HA SER A 90 -15.017 21.881 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.102 23.559 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.028 24.347 -5.616 1.00 0.00 H new ATOM 0 HG SER A 90 -15.963 21.868 -4.609 1.00 0.00 H new ATOM 1439 N GLY A 91 -14.121 23.460 -8.389 1.00 0.00 N ATOM 1440 CA GLY A 91 -13.504 24.211 -9.466 1.00 0.00 C ATOM 1441 C GLY A 91 -12.267 23.529 -10.014 1.00 0.00 C ATOM 1442 O GLY A 91 -11.137 23.868 -9.662 1.00 0.00 O ATOM 0 H GLY A 91 -15.068 23.134 -8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.227 24.347 -10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.238 25.205 -9.106 1.00 0.00 H new ATOM 1446 N PRO A 92 -12.473 22.540 -10.897 1.00 0.00 N ATOM 1447 CA PRO A 92 -11.377 21.786 -11.513 1.00 0.00 C ATOM 1448 C PRO A 92 -10.575 22.630 -12.497 1.00 0.00 C ATOM 1449 O PRO A 92 -10.864 22.649 -13.693 1.00 0.00 O ATOM 1450 CB PRO A 92 -12.095 20.649 -12.244 1.00 0.00 C ATOM 1451 CG PRO A 92 -13.461 21.177 -12.517 1.00 0.00 C ATOM 1452 CD PRO A 92 -13.793 22.082 -11.363 1.00 0.00 C ATOM 0 HA PRO A 92 -10.652 21.444 -10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.581 20.385 -13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.134 19.748 -11.632 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.487 21.722 -13.461 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.184 20.366 -12.597 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.421 22.917 -11.675 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.334 21.552 -10.579 1.00 0.00 H new ATOM 1460 N SER A 93 -9.565 23.328 -11.986 1.00 0.00 N ATOM 1461 CA SER A 93 -8.723 24.176 -12.821 1.00 0.00 C ATOM 1462 C SER A 93 -8.470 23.525 -14.177 1.00 0.00 C ATOM 1463 O SER A 93 -8.138 22.343 -14.258 1.00 0.00 O ATOM 1464 CB SER A 93 -7.391 24.456 -12.120 1.00 0.00 C ATOM 1465 OG SER A 93 -6.723 23.250 -11.796 1.00 0.00 O ATOM 0 H SER A 93 -9.311 23.323 -10.998 1.00 0.00 H new ATOM 0 HA SER A 93 -9.246 25.118 -12.983 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.757 25.064 -12.765 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.568 25.033 -11.212 1.00 0.00 H new ATOM 0 HG SER A 93 -5.874 23.455 -11.351 1.00 0.00 H new ATOM 1471 N SER A 94 -8.629 24.307 -15.240 1.00 0.00 N ATOM 1472 CA SER A 94 -8.423 23.807 -16.594 1.00 0.00 C ATOM 1473 C SER A 94 -8.125 24.952 -17.557 1.00 0.00 C ATOM 1474 O SER A 94 -8.955 25.836 -17.763 1.00 0.00 O ATOM 1475 CB SER A 94 -9.655 23.034 -17.069 1.00 0.00 C ATOM 1476 OG SER A 94 -10.797 23.872 -17.113 1.00 0.00 O ATOM 0 H SER A 94 -8.900 25.289 -15.190 1.00 0.00 H new ATOM 0 HA SER A 94 -7.565 23.135 -16.579 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.468 22.617 -18.059 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.842 22.194 -16.400 1.00 0.00 H new ATOM 0 HG SER A 94 -10.531 24.774 -17.389 1.00 0.00 H new ATOM 1482 N GLY A 95 -6.932 24.929 -18.144 1.00 0.00 N ATOM 1483 CA GLY A 95 -6.544 25.970 -19.078 1.00 0.00 C ATOM 1484 C GLY A 95 -5.515 26.917 -18.495 1.00 0.00 C ATOM 1485 O GLY A 95 -4.391 26.515 -18.192 1.00 0.00 O ATOM 0 H GLY A 95 -6.227 24.208 -17.989 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.141 25.512 -19.981 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.427 26.536 -19.374 1.00 0.00 H new TER 1489 GLY A 95