USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 56:sc= 0.627 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 39:sc= -0.102 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= -0.0174 (180deg=-1.17) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.172 (180deg=-1.05) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -104:sc= -0.281 (180deg=-1.86!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= 0.111 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.119 USER MOD Single : A 62 SER OG : rot 180:sc= -0.106 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.551 22.635 0.503 1.00 0.00 N ATOM 2 CA GLY A 1 -4.512 22.203 1.500 1.00 0.00 C ATOM 3 C GLY A 1 -5.920 22.674 1.191 1.00 0.00 C ATOM 4 O GLY A 1 -6.215 23.866 1.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.605 22.288 0.760 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.820 22.253 -0.426 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.539 23.674 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.502 21.115 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.212 22.581 2.477 1.00 0.00 H new ATOM 8 N SER A 2 -6.791 21.737 0.832 1.00 0.00 N ATOM 9 CA SER A 2 -8.173 22.063 0.503 1.00 0.00 C ATOM 10 C SER A 2 -8.934 22.518 1.746 1.00 0.00 C ATOM 11 O SER A 2 -9.259 21.712 2.618 1.00 0.00 O ATOM 12 CB SER A 2 -8.871 20.853 -0.121 1.00 0.00 C ATOM 13 OG SER A 2 -8.194 20.420 -1.288 1.00 0.00 O ATOM 0 H SER A 2 -6.564 20.745 0.762 1.00 0.00 H new ATOM 0 HA SER A 2 -8.166 22.880 -0.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.911 20.039 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.901 21.111 -0.369 1.00 0.00 H new ATOM 0 HG SER A 2 -8.659 19.645 -1.667 1.00 0.00 H new ATOM 19 N SER A 3 -9.213 23.815 1.818 1.00 0.00 N ATOM 20 CA SER A 3 -9.932 24.380 2.955 1.00 0.00 C ATOM 21 C SER A 3 -9.473 23.738 4.261 1.00 0.00 C ATOM 22 O SER A 3 -10.285 23.414 5.126 1.00 0.00 O ATOM 23 CB SER A 3 -11.439 24.185 2.780 1.00 0.00 C ATOM 24 OG SER A 3 -11.821 22.856 3.090 1.00 0.00 O ATOM 0 H SER A 3 -8.953 24.495 1.103 1.00 0.00 H new ATOM 0 HA SER A 3 -9.713 25.447 2.998 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.976 24.881 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.722 24.418 1.754 1.00 0.00 H new ATOM 0 HG SER A 3 -11.523 22.633 3.997 1.00 0.00 H new ATOM 30 N GLY A 4 -8.162 23.558 4.395 1.00 0.00 N ATOM 31 CA GLY A 4 -7.616 22.955 5.598 1.00 0.00 C ATOM 32 C GLY A 4 -6.613 21.861 5.294 1.00 0.00 C ATOM 33 O GLY A 4 -5.602 22.102 4.635 1.00 0.00 O ATOM 0 H GLY A 4 -7.469 23.818 3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.137 23.726 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.429 22.542 6.195 1.00 0.00 H new ATOM 37 N SER A 5 -6.892 20.654 5.776 1.00 0.00 N ATOM 38 CA SER A 5 -6.003 19.519 5.557 1.00 0.00 C ATOM 39 C SER A 5 -6.388 18.765 4.288 1.00 0.00 C ATOM 40 O SER A 5 -7.569 18.622 3.971 1.00 0.00 O ATOM 41 CB SER A 5 -6.044 18.572 6.758 1.00 0.00 C ATOM 42 OG SER A 5 -7.205 17.760 6.728 1.00 0.00 O ATOM 0 H SER A 5 -7.727 20.437 6.321 1.00 0.00 H new ATOM 0 HA SER A 5 -4.989 19.901 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.155 17.941 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.025 19.150 7.682 1.00 0.00 H new ATOM 0 HG SER A 5 -7.207 17.163 7.505 1.00 0.00 H new ATOM 48 N SER A 6 -5.382 18.284 3.564 1.00 0.00 N ATOM 49 CA SER A 6 -5.613 17.547 2.327 1.00 0.00 C ATOM 50 C SER A 6 -5.897 16.076 2.616 1.00 0.00 C ATOM 51 O SER A 6 -6.805 15.483 2.036 1.00 0.00 O ATOM 52 CB SER A 6 -4.402 17.672 1.401 1.00 0.00 C ATOM 53 OG SER A 6 -4.679 17.125 0.123 1.00 0.00 O ATOM 0 H SER A 6 -4.399 18.392 3.813 1.00 0.00 H new ATOM 0 HA SER A 6 -6.485 17.977 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.125 18.721 1.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.548 17.159 1.843 1.00 0.00 H new ATOM 0 HG SER A 6 -3.890 17.218 -0.451 1.00 0.00 H new ATOM 59 N GLY A 7 -5.113 15.494 3.518 1.00 0.00 N ATOM 60 CA GLY A 7 -5.295 14.098 3.868 1.00 0.00 C ATOM 61 C GLY A 7 -4.017 13.453 4.366 1.00 0.00 C ATOM 62 O GLY A 7 -3.023 13.394 3.643 1.00 0.00 O ATOM 0 H GLY A 7 -4.355 15.965 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.063 14.017 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.658 13.553 2.997 1.00 0.00 H new ATOM 66 N GLN A 8 -4.042 12.972 5.605 1.00 0.00 N ATOM 67 CA GLN A 8 -2.874 12.331 6.199 1.00 0.00 C ATOM 68 C GLN A 8 -3.051 10.817 6.249 1.00 0.00 C ATOM 69 O GLN A 8 -4.172 10.315 6.329 1.00 0.00 O ATOM 70 CB GLN A 8 -2.629 12.875 7.607 1.00 0.00 C ATOM 71 CG GLN A 8 -3.613 12.352 8.641 1.00 0.00 C ATOM 72 CD GLN A 8 -3.717 13.252 9.856 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.345 14.425 9.807 1.00 0.00 O ATOM 74 NE2 GLN A 8 -4.224 12.708 10.955 1.00 0.00 N ATOM 0 H GLN A 8 -4.857 13.014 6.217 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.009 12.557 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.617 12.615 7.917 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.685 13.963 7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.597 12.252 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.306 11.355 8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.520 11.732 10.951 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.318 13.266 11.804 1.00 0.00 H new ATOM 83 N CYS A 9 -1.936 10.095 6.200 1.00 0.00 N ATOM 84 CA CYS A 9 -1.967 8.638 6.239 1.00 0.00 C ATOM 85 C CYS A 9 -2.731 8.142 7.463 1.00 0.00 C ATOM 86 O CYS A 9 -2.456 8.555 8.589 1.00 0.00 O ATOM 87 CB CYS A 9 -0.543 8.077 6.251 1.00 0.00 C ATOM 88 SG CYS A 9 -0.442 6.314 6.699 1.00 0.00 S ATOM 0 H CYS A 9 -1.000 10.495 6.133 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.482 8.287 5.345 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.101 8.216 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.058 8.654 6.954 1.00 0.00 H new ATOM 93 N GLY A 10 -3.693 7.253 7.234 1.00 0.00 N ATOM 94 CA GLY A 10 -4.482 6.716 8.327 1.00 0.00 C ATOM 95 C GLY A 10 -3.648 5.910 9.302 1.00 0.00 C ATOM 96 O GLY A 10 -3.782 6.061 10.516 1.00 0.00 O ATOM 0 H GLY A 10 -3.940 6.895 6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.966 7.535 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.274 6.086 7.924 1.00 0.00 H new ATOM 100 N ALA A 11 -2.785 5.050 8.771 1.00 0.00 N ATOM 101 CA ALA A 11 -1.926 4.217 9.604 1.00 0.00 C ATOM 102 C ALA A 11 -1.180 5.057 10.635 1.00 0.00 C ATOM 103 O ALA A 11 -1.315 4.844 11.840 1.00 0.00 O ATOM 104 CB ALA A 11 -0.942 3.444 8.739 1.00 0.00 C ATOM 0 H ALA A 11 -2.662 4.912 7.768 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.557 3.508 10.140 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.307 2.826 9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.490 2.807 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.323 4.144 8.178 1.00 0.00 H new ATOM 110 N CYS A 12 -0.391 6.013 10.154 1.00 0.00 N ATOM 111 CA CYS A 12 0.378 6.885 11.034 1.00 0.00 C ATOM 112 C CYS A 12 0.050 8.351 10.768 1.00 0.00 C ATOM 113 O CYS A 12 -0.130 9.136 11.698 1.00 0.00 O ATOM 114 CB CYS A 12 1.877 6.643 10.842 1.00 0.00 C ATOM 115 SG CYS A 12 2.523 7.211 9.237 1.00 0.00 S ATOM 0 H CYS A 12 -0.268 6.203 9.159 1.00 0.00 H new ATOM 0 HA CYS A 12 0.108 6.652 12.064 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.421 7.149 11.640 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.078 5.577 10.946 1.00 0.00 H new ATOM 120 N GLY A 13 -0.026 8.713 9.491 1.00 0.00 N ATOM 121 CA GLY A 13 -0.332 10.084 9.125 1.00 0.00 C ATOM 122 C GLY A 13 0.912 10.939 8.987 1.00 0.00 C ATOM 123 O GLY A 13 0.925 12.098 9.398 1.00 0.00 O ATOM 0 H GLY A 13 0.119 8.081 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.880 10.091 8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.987 10.520 9.879 1.00 0.00 H new ATOM 127 N GLU A 14 1.961 10.364 8.407 1.00 0.00 N ATOM 128 CA GLU A 14 3.217 11.081 8.218 1.00 0.00 C ATOM 129 C GLU A 14 3.081 12.136 7.124 1.00 0.00 C ATOM 130 O GLU A 14 1.992 12.363 6.596 1.00 0.00 O ATOM 131 CB GLU A 14 4.340 10.104 7.863 1.00 0.00 C ATOM 132 CG GLU A 14 5.058 9.537 9.076 1.00 0.00 C ATOM 133 CD GLU A 14 6.019 10.529 9.702 1.00 0.00 C ATOM 134 OE1 GLU A 14 5.756 11.747 9.611 1.00 0.00 O ATOM 135 OE2 GLU A 14 7.034 10.089 10.281 1.00 0.00 O ATOM 0 H GLU A 14 1.966 9.405 8.060 1.00 0.00 H new ATOM 0 HA GLU A 14 3.464 11.582 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.925 9.282 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.065 10.612 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.322 9.232 9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.606 8.641 8.783 1.00 0.00 H new ATOM 142 N SER A 15 4.195 12.779 6.788 1.00 0.00 N ATOM 143 CA SER A 15 4.201 13.813 5.760 1.00 0.00 C ATOM 144 C SER A 15 3.929 13.213 4.384 1.00 0.00 C ATOM 145 O SER A 15 4.036 12.001 4.190 1.00 0.00 O ATOM 146 CB SER A 15 5.543 14.547 5.753 1.00 0.00 C ATOM 147 OG SER A 15 5.527 15.648 6.645 1.00 0.00 O ATOM 0 H SER A 15 5.105 12.602 7.213 1.00 0.00 H new ATOM 0 HA SER A 15 3.407 14.524 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.339 13.858 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.765 14.895 4.744 1.00 0.00 H new ATOM 0 HG SER A 15 6.397 16.099 6.623 1.00 0.00 H new ATOM 153 N TYR A 16 3.578 14.069 3.431 1.00 0.00 N ATOM 154 CA TYR A 16 3.288 13.624 2.073 1.00 0.00 C ATOM 155 C TYR A 16 4.576 13.368 1.297 1.00 0.00 C ATOM 156 O TYR A 16 5.640 13.874 1.654 1.00 0.00 O ATOM 157 CB TYR A 16 2.439 14.666 1.343 1.00 0.00 C ATOM 158 CG TYR A 16 1.707 14.116 0.140 1.00 0.00 C ATOM 159 CD1 TYR A 16 0.607 13.280 0.294 1.00 0.00 C ATOM 160 CD2 TYR A 16 2.115 14.430 -1.150 1.00 0.00 C ATOM 161 CE1 TYR A 16 -0.064 12.774 -0.802 1.00 0.00 C ATOM 162 CE2 TYR A 16 1.448 13.930 -2.252 1.00 0.00 C ATOM 163 CZ TYR A 16 0.360 13.102 -2.073 1.00 0.00 C ATOM 164 OH TYR A 16 -0.306 12.601 -3.168 1.00 0.00 O ATOM 0 H TYR A 16 3.487 15.075 3.574 1.00 0.00 H new ATOM 0 HA TYR A 16 2.731 12.689 2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.713 15.083 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.082 15.486 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.271 13.022 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.968 15.076 -1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.916 12.125 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.777 14.186 -3.248 1.00 0.00 H new ATOM 0 HH TYR A 16 0.119 12.929 -3.988 1.00 0.00 H new ATOM 174 N ALA A 17 4.471 12.578 0.233 1.00 0.00 N ATOM 175 CA ALA A 17 5.626 12.256 -0.596 1.00 0.00 C ATOM 176 C ALA A 17 5.233 12.140 -2.064 1.00 0.00 C ATOM 177 O ALA A 17 4.121 11.722 -2.388 1.00 0.00 O ATOM 178 CB ALA A 17 6.275 10.965 -0.118 1.00 0.00 C ATOM 0 H ALA A 17 3.598 12.149 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 17 6.347 13.069 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.136 10.736 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.601 11.082 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.554 10.150 -0.181 1.00 0.00 H new ATOM 184 N ALA A 18 6.151 12.513 -2.949 1.00 0.00 N ATOM 185 CA ALA A 18 5.900 12.449 -4.384 1.00 0.00 C ATOM 186 C ALA A 18 6.775 11.392 -5.048 1.00 0.00 C ATOM 187 O ALA A 18 6.288 10.564 -5.818 1.00 0.00 O ATOM 188 CB ALA A 18 6.136 13.810 -5.022 1.00 0.00 C ATOM 0 H ALA A 18 7.076 12.863 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 18 4.858 12.166 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.945 13.748 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.464 14.543 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.169 14.116 -4.855 1.00 0.00 H new ATOM 194 N ASP A 19 8.068 11.427 -4.746 1.00 0.00 N ATOM 195 CA ASP A 19 9.012 10.471 -5.314 1.00 0.00 C ATOM 196 C ASP A 19 8.968 9.148 -4.556 1.00 0.00 C ATOM 197 O ASP A 19 10.006 8.556 -4.262 1.00 0.00 O ATOM 198 CB ASP A 19 10.430 11.043 -5.285 1.00 0.00 C ATOM 199 CG ASP A 19 10.603 12.211 -6.236 1.00 0.00 C ATOM 200 OD1 ASP A 19 9.649 13.004 -6.381 1.00 0.00 O ATOM 201 OD2 ASP A 19 11.692 12.332 -6.834 1.00 0.00 O ATOM 0 H ASP A 19 8.487 12.107 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 19 8.725 10.286 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.668 11.365 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.141 10.258 -5.545 1.00 0.00 H new ATOM 206 N GLU A 20 7.759 8.691 -4.241 1.00 0.00 N ATOM 207 CA GLU A 20 7.581 7.439 -3.515 1.00 0.00 C ATOM 208 C GLU A 20 6.232 6.807 -3.844 1.00 0.00 C ATOM 209 O GLU A 20 5.253 7.506 -4.105 1.00 0.00 O ATOM 210 CB GLU A 20 7.691 7.678 -2.008 1.00 0.00 C ATOM 211 CG GLU A 20 9.105 7.982 -1.541 1.00 0.00 C ATOM 212 CD GLU A 20 10.068 6.845 -1.819 1.00 0.00 C ATOM 213 OE1 GLU A 20 9.702 5.680 -1.553 1.00 0.00 O ATOM 214 OE2 GLU A 20 11.187 7.118 -2.301 1.00 0.00 O ATOM 0 H GLU A 20 6.889 9.169 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 20 8.369 6.753 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.040 8.508 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.325 6.797 -1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.461 8.885 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.093 8.190 -0.471 1.00 0.00 H new ATOM 221 N PHE A 21 6.189 5.479 -3.831 1.00 0.00 N ATOM 222 CA PHE A 21 4.961 4.750 -4.129 1.00 0.00 C ATOM 223 C PHE A 21 3.927 4.952 -3.025 1.00 0.00 C ATOM 224 O PHE A 21 4.273 5.263 -1.886 1.00 0.00 O ATOM 225 CB PHE A 21 5.257 3.259 -4.300 1.00 0.00 C ATOM 226 CG PHE A 21 4.037 2.389 -4.186 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.045 2.435 -5.152 1.00 0.00 C ATOM 228 CD2 PHE A 21 3.883 1.527 -3.112 1.00 0.00 C ATOM 229 CE1 PHE A 21 1.922 1.636 -5.050 1.00 0.00 C ATOM 230 CE2 PHE A 21 2.763 0.726 -3.005 1.00 0.00 C ATOM 231 CZ PHE A 21 1.780 0.781 -3.974 1.00 0.00 C ATOM 0 H PHE A 21 6.990 4.885 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 21 4.553 5.141 -5.061 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.719 3.098 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.984 2.952 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.150 3.103 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.647 1.481 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.156 1.680 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.656 0.057 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.902 0.157 -3.891 1.00 0.00 H new ATOM 241 N TRP A 22 2.658 4.774 -3.373 1.00 0.00 N ATOM 242 CA TRP A 22 1.573 4.937 -2.412 1.00 0.00 C ATOM 243 C TRP A 22 0.524 3.844 -2.585 1.00 0.00 C ATOM 244 O TRP A 22 0.477 3.174 -3.617 1.00 0.00 O ATOM 245 CB TRP A 22 0.925 6.313 -2.572 1.00 0.00 C ATOM 246 CG TRP A 22 1.580 7.378 -1.746 1.00 0.00 C ATOM 247 CD1 TRP A 22 2.847 7.867 -1.894 1.00 0.00 C ATOM 248 CD2 TRP A 22 1.001 8.085 -0.644 1.00 0.00 C ATOM 249 NE1 TRP A 22 3.090 8.834 -0.950 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.974 8.987 -0.171 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.244 8.044 -0.011 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.738 9.839 0.905 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.476 8.890 1.057 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.510 9.778 1.506 1.00 0.00 C ATOM 0 H TRP A 22 2.355 4.517 -4.312 1.00 0.00 H new ATOM 0 HA TRP A 22 1.993 4.856 -1.410 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.961 6.604 -3.622 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.127 6.245 -2.296 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.553 7.541 -2.643 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.961 9.354 -0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.011 7.364 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 2.497 10.524 1.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.434 8.866 1.554 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.297 10.427 2.343 1.00 0.00 H new ATOM 265 N ILE A 23 -0.314 3.668 -1.569 1.00 0.00 N ATOM 266 CA ILE A 23 -1.363 2.657 -1.610 1.00 0.00 C ATOM 267 C ILE A 23 -2.732 3.274 -1.346 1.00 0.00 C ATOM 268 O ILE A 23 -2.998 3.776 -0.253 1.00 0.00 O ATOM 269 CB ILE A 23 -1.108 1.539 -0.582 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.428 0.880 -0.176 1.00 0.00 C ATOM 271 CG2 ILE A 23 -0.391 2.096 0.639 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.281 0.460 -1.352 1.00 0.00 C ATOM 0 H ILE A 23 -0.287 4.213 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.348 2.228 -2.612 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.471 0.782 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.214 0.005 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.995 1.574 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.218 1.294 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.564 2.524 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.005 2.869 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.200 0.001 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.526 1.335 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.732 -0.258 -1.961 1.00 0.00 H new ATOM 284 N CYS A 24 -3.599 3.231 -2.352 1.00 0.00 N ATOM 285 CA CYS A 24 -4.942 3.784 -2.228 1.00 0.00 C ATOM 286 C CYS A 24 -5.989 2.675 -2.225 1.00 0.00 C ATOM 287 O CYS A 24 -6.342 2.137 -3.274 1.00 0.00 O ATOM 288 CB CYS A 24 -5.221 4.762 -3.370 1.00 0.00 C ATOM 289 SG CYS A 24 -5.016 4.048 -5.019 1.00 0.00 S ATOM 0 H CYS A 24 -3.395 2.819 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.002 4.318 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.240 5.137 -3.272 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.555 5.619 -3.271 1.00 0.00 H new ATOM 0 HG CYS A 24 -5.470 2.830 -5.024 1.00 0.00 H new ATOM 295 N CYS A 25 -6.481 2.337 -1.038 1.00 0.00 N ATOM 296 CA CYS A 25 -7.486 1.290 -0.896 1.00 0.00 C ATOM 297 C CYS A 25 -8.595 1.457 -1.931 1.00 0.00 C ATOM 298 O CYS A 25 -8.888 2.571 -2.368 1.00 0.00 O ATOM 299 CB CYS A 25 -8.081 1.312 0.513 1.00 0.00 C ATOM 300 SG CYS A 25 -9.053 -0.170 0.934 1.00 0.00 S ATOM 0 H CYS A 25 -6.200 2.773 -0.160 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.999 0.329 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.272 1.420 1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.717 2.191 0.613 1.00 0.00 H new ATOM 305 N ASP A 26 -9.209 0.345 -2.317 1.00 0.00 N ATOM 306 CA ASP A 26 -10.287 0.367 -3.299 1.00 0.00 C ATOM 307 C ASP A 26 -11.647 0.264 -2.616 1.00 0.00 C ATOM 308 O ASP A 26 -12.688 0.441 -3.250 1.00 0.00 O ATOM 309 CB ASP A 26 -10.118 -0.776 -4.300 1.00 0.00 C ATOM 310 CG ASP A 26 -11.139 -0.722 -5.420 1.00 0.00 C ATOM 311 OD1 ASP A 26 -10.923 0.041 -6.384 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.154 -1.443 -5.331 1.00 0.00 O ATOM 0 H ASP A 26 -8.979 -0.584 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.239 1.316 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.115 -0.737 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.206 -1.728 -3.777 1.00 0.00 H new ATOM 317 N LEU A 27 -11.631 -0.024 -1.319 1.00 0.00 N ATOM 318 CA LEU A 27 -12.864 -0.152 -0.549 1.00 0.00 C ATOM 319 C LEU A 27 -13.296 1.198 0.014 1.00 0.00 C ATOM 320 O LEU A 27 -14.286 1.780 -0.432 1.00 0.00 O ATOM 321 CB LEU A 27 -12.674 -1.156 0.590 1.00 0.00 C ATOM 322 CG LEU A 27 -12.644 -2.630 0.188 1.00 0.00 C ATOM 323 CD1 LEU A 27 -11.224 -3.066 -0.138 1.00 0.00 C ATOM 324 CD2 LEU A 27 -13.230 -3.497 1.293 1.00 0.00 C ATOM 0 H LEU A 27 -10.779 -0.173 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.646 -0.513 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.741 -0.921 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.479 -1.013 1.311 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.255 -2.755 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.223 -4.118 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.840 -2.467 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.590 -2.926 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.200 -4.543 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.647 -3.367 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.263 -3.202 1.478 1.00 0.00 H new ATOM 336 N CYS A 28 -12.548 1.691 0.995 1.00 0.00 N ATOM 337 CA CYS A 28 -12.853 2.974 1.618 1.00 0.00 C ATOM 338 C CYS A 28 -12.236 4.123 0.827 1.00 0.00 C ATOM 339 O CYS A 28 -12.478 5.293 1.123 1.00 0.00 O ATOM 340 CB CYS A 28 -12.338 2.999 3.059 1.00 0.00 C ATOM 341 SG CYS A 28 -10.546 2.712 3.214 1.00 0.00 S ATOM 0 H CYS A 28 -11.726 1.222 1.376 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.936 3.099 1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.580 3.964 3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.868 2.241 3.636 1.00 0.00 H new ATOM 346 N GLU A 29 -11.440 3.781 -0.181 1.00 0.00 N ATOM 347 CA GLU A 29 -10.789 4.784 -1.015 1.00 0.00 C ATOM 348 C GLU A 29 -9.977 5.756 -0.163 1.00 0.00 C ATOM 349 O GLU A 29 -10.027 6.968 -0.368 1.00 0.00 O ATOM 350 CB GLU A 29 -11.829 5.553 -1.833 1.00 0.00 C ATOM 351 CG GLU A 29 -12.116 4.932 -3.189 1.00 0.00 C ATOM 352 CD GLU A 29 -12.402 3.445 -3.102 1.00 0.00 C ATOM 353 OE1 GLU A 29 -13.044 3.021 -2.119 1.00 0.00 O ATOM 354 OE2 GLU A 29 -11.984 2.707 -4.018 1.00 0.00 O ATOM 0 H GLU A 29 -11.230 2.817 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.111 4.269 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.757 5.609 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.482 6.576 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.970 5.436 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.263 5.096 -3.847 1.00 0.00 H new ATOM 361 N MET A 30 -9.230 5.214 0.793 1.00 0.00 N ATOM 362 CA MET A 30 -8.407 6.032 1.676 1.00 0.00 C ATOM 363 C MET A 30 -6.947 6.006 1.237 1.00 0.00 C ATOM 364 O MET A 30 -6.535 5.134 0.472 1.00 0.00 O ATOM 365 CB MET A 30 -8.526 5.541 3.120 1.00 0.00 C ATOM 366 CG MET A 30 -8.372 6.645 4.153 1.00 0.00 C ATOM 367 SD MET A 30 -9.772 7.781 4.169 1.00 0.00 S ATOM 368 CE MET A 30 -10.052 7.949 5.930 1.00 0.00 C ATOM 0 H MET A 30 -9.178 4.212 0.976 1.00 0.00 H new ATOM 0 HA MET A 30 -8.767 7.059 1.618 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.496 5.063 3.253 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.768 4.779 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.259 6.199 5.141 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.458 7.203 3.949 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.890 8.624 6.102 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.279 6.972 6.357 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.157 8.353 6.404 1.00 0.00 H new ATOM 378 N TRP A 31 -6.170 6.966 1.724 1.00 0.00 N ATOM 379 CA TRP A 31 -4.755 7.053 1.381 1.00 0.00 C ATOM 380 C TRP A 31 -3.885 6.530 2.518 1.00 0.00 C ATOM 381 O TRP A 31 -4.156 6.792 3.691 1.00 0.00 O ATOM 382 CB TRP A 31 -4.376 8.499 1.056 1.00 0.00 C ATOM 383 CG TRP A 31 -5.441 9.238 0.303 1.00 0.00 C ATOM 384 CD1 TRP A 31 -6.642 9.666 0.792 1.00 0.00 C ATOM 385 CD2 TRP A 31 -5.401 9.633 -1.072 1.00 0.00 C ATOM 386 NE1 TRP A 31 -7.351 10.304 -0.197 1.00 0.00 N ATOM 387 CE2 TRP A 31 -6.611 10.297 -1.350 1.00 0.00 C ATOM 388 CE3 TRP A 31 -4.460 9.491 -2.096 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -6.903 10.817 -2.608 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -4.751 10.008 -3.344 1.00 0.00 C ATOM 391 CH2 TRP A 31 -5.964 10.664 -3.592 1.00 0.00 C ATOM 0 H TRP A 31 -6.496 7.696 2.358 1.00 0.00 H new ATOM 0 HA TRP A 31 -4.582 6.433 0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.164 9.029 1.985 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -3.457 8.503 0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.984 9.524 1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.278 10.716 -0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.522 8.986 -1.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.837 11.323 -2.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.031 9.905 -4.142 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.162 11.056 -4.579 1.00 0.00 H new ATOM 402 N PHE A 32 -2.840 5.789 2.166 1.00 0.00 N ATOM 403 CA PHE A 32 -1.931 5.228 3.159 1.00 0.00 C ATOM 404 C PHE A 32 -0.497 5.216 2.638 1.00 0.00 C ATOM 405 O PHE A 32 -0.215 5.723 1.551 1.00 0.00 O ATOM 406 CB PHE A 32 -2.362 3.808 3.531 1.00 0.00 C ATOM 407 CG PHE A 32 -3.795 3.712 3.969 1.00 0.00 C ATOM 408 CD1 PHE A 32 -4.181 4.151 5.225 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.757 3.182 3.124 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.500 4.064 5.630 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.077 3.093 3.524 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.449 3.533 4.779 1.00 0.00 C ATOM 0 H PHE A 32 -2.601 5.563 1.200 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.971 5.857 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.208 3.154 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.720 3.440 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.443 4.566 5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.472 2.835 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.788 4.411 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.817 2.679 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.480 3.462 5.094 1.00 0.00 H new ATOM 422 N HIS A 33 0.406 4.635 3.421 1.00 0.00 N ATOM 423 CA HIS A 33 1.812 4.557 3.039 1.00 0.00 C ATOM 424 C HIS A 33 2.209 3.118 2.720 1.00 0.00 C ATOM 425 O HIS A 33 2.050 2.222 3.547 1.00 0.00 O ATOM 426 CB HIS A 33 2.697 5.106 4.158 1.00 0.00 C ATOM 427 CG HIS A 33 2.617 6.594 4.310 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.458 7.219 5.528 1.00 0.00 N ATOM 429 CD2 HIS A 33 2.678 7.582 3.387 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.422 8.527 5.348 1.00 0.00 C ATOM 431 NE2 HIS A 33 2.554 8.774 4.057 1.00 0.00 N ATOM 0 H HIS A 33 0.190 4.211 4.323 1.00 0.00 H new ATOM 0 HA HIS A 33 1.954 5.162 2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.411 4.637 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.732 4.824 3.963 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.801 7.456 2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.305 9.269 6.124 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.562 9.699 3.628 1.00 0.00 H new ATOM 439 N GLY A 34 2.727 2.906 1.514 1.00 0.00 N ATOM 440 CA GLY A 34 3.137 1.575 1.106 1.00 0.00 C ATOM 441 C GLY A 34 3.831 0.816 2.220 1.00 0.00 C ATOM 442 O GLY A 34 3.589 -0.375 2.414 1.00 0.00 O ATOM 0 H GLY A 34 2.870 3.632 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.262 1.013 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.807 1.651 0.250 1.00 0.00 H new ATOM 446 N LYS A 35 4.697 1.506 2.954 1.00 0.00 N ATOM 447 CA LYS A 35 5.430 0.891 4.054 1.00 0.00 C ATOM 448 C LYS A 35 4.500 0.591 5.226 1.00 0.00 C ATOM 449 O LYS A 35 4.664 -0.413 5.920 1.00 0.00 O ATOM 450 CB LYS A 35 6.566 1.807 4.513 1.00 0.00 C ATOM 451 CG LYS A 35 6.102 3.193 4.925 1.00 0.00 C ATOM 452 CD LYS A 35 7.185 3.942 5.682 1.00 0.00 C ATOM 453 CE LYS A 35 8.168 4.611 4.733 1.00 0.00 C ATOM 454 NZ LYS A 35 9.226 3.668 4.276 1.00 0.00 N ATOM 0 H LYS A 35 4.909 2.493 2.807 1.00 0.00 H new ATOM 0 HA LYS A 35 5.851 -0.048 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.080 1.341 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.293 1.901 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.817 3.761 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.212 3.109 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.727 4.695 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.720 3.251 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.630 5.001 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.631 5.463 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.149 4.146 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.251 2.842 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.018 3.357 3.306 1.00 0.00 H new ATOM 468 N CYS A 36 3.523 1.466 5.439 1.00 0.00 N ATOM 469 CA CYS A 36 2.566 1.294 6.526 1.00 0.00 C ATOM 470 C CYS A 36 1.646 0.107 6.258 1.00 0.00 C ATOM 471 O CYS A 36 1.353 -0.680 7.158 1.00 0.00 O ATOM 472 CB CYS A 36 1.736 2.566 6.707 1.00 0.00 C ATOM 473 SG CYS A 36 2.556 3.856 7.698 1.00 0.00 S ATOM 0 H CYS A 36 3.373 2.301 4.873 1.00 0.00 H new ATOM 0 HA CYS A 36 3.124 1.098 7.441 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.498 2.974 5.725 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.790 2.305 7.182 1.00 0.00 H new ATOM 478 N VAL A 37 1.195 -0.016 5.014 1.00 0.00 N ATOM 479 CA VAL A 37 0.309 -1.108 4.627 1.00 0.00 C ATOM 480 C VAL A 37 1.085 -2.409 4.452 1.00 0.00 C ATOM 481 O VAL A 37 0.547 -3.406 3.970 1.00 0.00 O ATOM 482 CB VAL A 37 -0.436 -0.788 3.317 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.116 0.570 3.407 1.00 0.00 C ATOM 484 CG2 VAL A 37 0.519 -0.838 2.135 1.00 0.00 C ATOM 0 H VAL A 37 1.428 0.627 4.257 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.418 -1.227 5.431 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.206 -1.544 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.637 0.779 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.832 0.564 4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.366 1.341 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.024 -0.609 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.314 -0.106 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.954 -1.835 2.060 1.00 0.00 H new ATOM 494 N LYS A 38 2.353 -2.393 4.849 1.00 0.00 N ATOM 495 CA LYS A 38 3.205 -3.571 4.739 1.00 0.00 C ATOM 496 C LYS A 38 3.326 -4.021 3.286 1.00 0.00 C ATOM 497 O LYS A 38 3.380 -5.218 3.000 1.00 0.00 O ATOM 498 CB LYS A 38 2.645 -4.712 5.592 1.00 0.00 C ATOM 499 CG LYS A 38 2.933 -4.560 7.075 1.00 0.00 C ATOM 500 CD LYS A 38 4.384 -4.875 7.396 1.00 0.00 C ATOM 501 CE LYS A 38 4.826 -4.210 8.691 1.00 0.00 C ATOM 502 NZ LYS A 38 4.626 -2.735 8.653 1.00 0.00 N ATOM 0 H LYS A 38 2.814 -1.576 5.250 1.00 0.00 H new ATOM 0 HA LYS A 38 4.198 -3.306 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.567 -4.770 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.066 -5.655 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.703 -3.542 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.281 -5.224 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.514 -5.954 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.020 -4.538 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.265 -4.631 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.878 -4.429 8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.310 -2.276 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.769 -2.390 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.659 -2.508 8.962 1.00 0.00 H new ATOM 516 N ILE A 39 3.370 -3.056 2.374 1.00 0.00 N ATOM 517 CA ILE A 39 3.488 -3.354 0.952 1.00 0.00 C ATOM 518 C ILE A 39 4.667 -2.612 0.331 1.00 0.00 C ATOM 519 O ILE A 39 4.733 -1.383 0.371 1.00 0.00 O ATOM 520 CB ILE A 39 2.203 -2.981 0.190 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.035 -3.851 0.661 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.413 -3.132 -1.309 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.235 -3.638 -0.133 1.00 0.00 C ATOM 0 H ILE A 39 3.326 -2.061 2.594 1.00 0.00 H new ATOM 0 HA ILE A 39 3.652 -4.428 0.867 1.00 0.00 H new ATOM 0 HB ILE A 39 1.963 -1.939 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.324 -4.900 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.837 -3.641 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.496 -2.865 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.220 -2.474 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.674 -4.165 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.020 -4.287 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.548 -2.598 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.053 -3.876 -1.181 1.00 0.00 H new ATOM 535 N THR A 40 5.598 -3.367 -0.244 1.00 0.00 N ATOM 536 CA THR A 40 6.774 -2.782 -0.875 1.00 0.00 C ATOM 537 C THR A 40 6.423 -2.153 -2.218 1.00 0.00 C ATOM 538 O THR A 40 5.462 -2.544 -2.881 1.00 0.00 O ATOM 539 CB THR A 40 7.880 -3.834 -1.087 1.00 0.00 C ATOM 540 OG1 THR A 40 7.300 -5.079 -1.492 1.00 0.00 O ATOM 541 CG2 THR A 40 8.686 -4.035 0.187 1.00 0.00 C ATOM 0 H THR A 40 5.560 -4.385 -0.285 1.00 0.00 H new ATOM 0 HA THR A 40 7.142 -2.009 -0.200 1.00 0.00 H new ATOM 0 HB THR A 40 8.549 -3.474 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.009 -5.742 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.461 -4.782 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.149 -3.092 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.026 -4.375 0.985 1.00 0.00 H new ATOM 549 N PRO A 41 7.218 -1.156 -2.632 1.00 0.00 N ATOM 550 CA PRO A 41 7.011 -0.452 -3.901 1.00 0.00 C ATOM 551 C PRO A 41 7.321 -1.331 -5.108 1.00 0.00 C ATOM 552 O PRO A 41 7.016 -0.971 -6.244 1.00 0.00 O ATOM 553 CB PRO A 41 7.996 0.717 -3.824 1.00 0.00 C ATOM 554 CG PRO A 41 9.064 0.252 -2.894 1.00 0.00 C ATOM 555 CD PRO A 41 8.382 -0.638 -1.892 1.00 0.00 C ATOM 0 HA PRO A 41 5.973 -0.144 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.403 0.957 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.511 1.619 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.841 -0.290 -3.432 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.547 1.096 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.037 -1.443 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.079 -0.084 -1.003 1.00 0.00 H new ATOM 563 N ALA A 42 7.929 -2.485 -4.853 1.00 0.00 N ATOM 564 CA ALA A 42 8.278 -3.416 -5.919 1.00 0.00 C ATOM 565 C ALA A 42 7.155 -4.419 -6.162 1.00 0.00 C ATOM 566 O ALA A 42 6.885 -4.799 -7.301 1.00 0.00 O ATOM 567 CB ALA A 42 9.572 -4.142 -5.583 1.00 0.00 C ATOM 0 H ALA A 42 8.190 -2.797 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 42 8.423 -2.843 -6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.820 -4.834 -6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.377 -3.416 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.447 -4.697 -4.653 1.00 0.00 H new ATOM 573 N ARG A 43 6.504 -4.844 -5.084 1.00 0.00 N ATOM 574 CA ARG A 43 5.411 -5.804 -5.180 1.00 0.00 C ATOM 575 C ARG A 43 4.114 -5.112 -5.589 1.00 0.00 C ATOM 576 O ARG A 43 3.365 -5.618 -6.423 1.00 0.00 O ATOM 577 CB ARG A 43 5.219 -6.525 -3.845 1.00 0.00 C ATOM 578 CG ARG A 43 4.076 -7.527 -3.854 1.00 0.00 C ATOM 579 CD ARG A 43 3.928 -8.215 -2.505 1.00 0.00 C ATOM 580 NE ARG A 43 4.727 -9.434 -2.421 1.00 0.00 N ATOM 581 CZ ARG A 43 4.814 -10.182 -1.327 1.00 0.00 C ATOM 582 NH1 ARG A 43 4.154 -9.837 -0.230 1.00 0.00 N ATOM 583 NH2 ARG A 43 5.562 -11.277 -1.329 1.00 0.00 N ATOM 0 H ARG A 43 6.715 -4.539 -4.134 1.00 0.00 H new ATOM 0 HA ARG A 43 5.669 -6.535 -5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.143 -7.042 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.037 -5.786 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.146 -7.018 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.252 -8.274 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.229 -7.529 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.879 -8.457 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 43 5.247 -9.727 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.578 -8.995 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.223 -10.413 0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.071 -11.545 -2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.628 -11.851 -0.488 1.00 0.00 H new ATOM 597 N ALA A 44 3.856 -3.952 -4.994 1.00 0.00 N ATOM 598 CA ALA A 44 2.651 -3.190 -5.296 1.00 0.00 C ATOM 599 C ALA A 44 2.311 -3.267 -6.781 1.00 0.00 C ATOM 600 O ALA A 44 1.140 -3.328 -7.156 1.00 0.00 O ATOM 601 CB ALA A 44 2.821 -1.740 -4.867 1.00 0.00 C ATOM 0 H ALA A 44 4.466 -3.520 -4.300 1.00 0.00 H new ATOM 0 HA ALA A 44 1.825 -3.628 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.913 -1.183 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.009 -1.698 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.663 -1.299 -5.400 1.00 0.00 H new ATOM 607 N GLU A 45 3.341 -3.264 -7.620 1.00 0.00 N ATOM 608 CA GLU A 45 3.150 -3.332 -9.064 1.00 0.00 C ATOM 609 C GLU A 45 2.206 -4.472 -9.435 1.00 0.00 C ATOM 610 O GLU A 45 1.202 -4.265 -10.118 1.00 0.00 O ATOM 611 CB GLU A 45 4.494 -3.519 -9.771 1.00 0.00 C ATOM 612 CG GLU A 45 5.266 -2.224 -9.963 1.00 0.00 C ATOM 613 CD GLU A 45 4.774 -1.422 -11.152 1.00 0.00 C ATOM 614 OE1 GLU A 45 5.163 -1.753 -12.292 1.00 0.00 O ATOM 615 OE2 GLU A 45 4.000 -0.465 -10.944 1.00 0.00 O ATOM 0 H GLU A 45 4.316 -3.215 -7.325 1.00 0.00 H new ATOM 0 HA GLU A 45 2.704 -2.392 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.105 -4.214 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.322 -3.978 -10.745 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.182 -1.618 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.324 -2.452 -10.096 1.00 0.00 H new ATOM 622 N HIS A 46 2.535 -5.677 -8.979 1.00 0.00 N ATOM 623 CA HIS A 46 1.716 -6.851 -9.262 1.00 0.00 C ATOM 624 C HIS A 46 0.328 -6.706 -8.647 1.00 0.00 C ATOM 625 O HIS A 46 -0.677 -7.042 -9.274 1.00 0.00 O ATOM 626 CB HIS A 46 2.395 -8.113 -8.728 1.00 0.00 C ATOM 627 CG HIS A 46 3.727 -8.387 -9.355 1.00 0.00 C ATOM 628 ND1 HIS A 46 3.870 -8.888 -10.632 1.00 0.00 N ATOM 629 CD2 HIS A 46 4.982 -8.226 -8.874 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.154 -9.025 -10.908 1.00 0.00 C ATOM 631 NE2 HIS A 46 5.851 -8.629 -9.858 1.00 0.00 N ATOM 0 H HIS A 46 3.362 -5.866 -8.413 1.00 0.00 H new ATOM 0 HA HIS A 46 1.607 -6.936 -10.343 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.523 -8.018 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.740 -8.968 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.250 -7.850 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.565 -9.398 -11.835 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.869 -8.623 -9.789 1.00 0.00 H new ATOM 640 N ILE A 47 0.280 -6.207 -7.417 1.00 0.00 N ATOM 641 CA ILE A 47 -0.985 -6.018 -6.717 1.00 0.00 C ATOM 642 C ILE A 47 -1.867 -5.007 -7.441 1.00 0.00 C ATOM 643 O ILE A 47 -1.417 -3.919 -7.802 1.00 0.00 O ATOM 644 CB ILE A 47 -0.762 -5.546 -5.269 1.00 0.00 C ATOM 645 CG1 ILE A 47 0.213 -6.479 -4.549 1.00 0.00 C ATOM 646 CG2 ILE A 47 -2.087 -5.478 -4.524 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.692 -5.942 -3.218 1.00 0.00 C ATOM 0 H ILE A 47 1.103 -5.926 -6.884 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.485 -6.986 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.328 -4.546 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.270 -7.443 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.075 -6.656 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.913 -5.143 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.752 -4.776 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.547 -6.466 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.380 -6.655 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.204 -4.992 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.162 -5.791 -2.558 1.00 0.00 H new ATOM 659 N LYS A 48 -3.128 -5.371 -7.648 1.00 0.00 N ATOM 660 CA LYS A 48 -4.076 -4.495 -8.325 1.00 0.00 C ATOM 661 C LYS A 48 -4.800 -3.600 -7.325 1.00 0.00 C ATOM 662 O LYS A 48 -4.629 -2.381 -7.331 1.00 0.00 O ATOM 663 CB LYS A 48 -5.093 -5.323 -9.114 1.00 0.00 C ATOM 664 CG LYS A 48 -4.528 -5.928 -10.387 1.00 0.00 C ATOM 665 CD LYS A 48 -5.612 -6.598 -11.215 1.00 0.00 C ATOM 666 CE LYS A 48 -5.191 -6.748 -12.669 1.00 0.00 C ATOM 667 NZ LYS A 48 -4.223 -7.864 -12.854 1.00 0.00 N ATOM 0 H LYS A 48 -3.517 -6.268 -7.356 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.518 -3.862 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.469 -6.124 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.944 -4.691 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.046 -5.149 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.759 -6.658 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.836 -7.579 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.529 -6.011 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.072 -6.926 -13.286 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.742 -5.817 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.961 -7.933 -13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.371 -7.683 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.660 -8.757 -12.548 1.00 0.00 H new ATOM 681 N GLN A 49 -5.608 -4.213 -6.465 1.00 0.00 N ATOM 682 CA GLN A 49 -6.357 -3.470 -5.459 1.00 0.00 C ATOM 683 C GLN A 49 -6.244 -4.140 -4.093 1.00 0.00 C ATOM 684 O GLN A 49 -7.085 -4.958 -3.720 1.00 0.00 O ATOM 685 CB GLN A 49 -7.827 -3.359 -5.865 1.00 0.00 C ATOM 686 CG GLN A 49 -8.032 -2.778 -7.255 1.00 0.00 C ATOM 687 CD GLN A 49 -9.286 -3.301 -7.927 1.00 0.00 C ATOM 688 OE1 GLN A 49 -10.401 -3.048 -7.470 1.00 0.00 O ATOM 689 NE2 GLN A 49 -9.110 -4.036 -9.020 1.00 0.00 N ATOM 0 H GLN A 49 -5.760 -5.221 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.930 -2.469 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.283 -4.348 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.350 -2.736 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.088 -1.692 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.167 -3.014 -7.875 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.168 -4.221 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.917 -4.415 -9.515 1.00 0.00 H new ATOM 698 N TYR A 50 -5.200 -3.786 -3.351 1.00 0.00 N ATOM 699 CA TYR A 50 -4.976 -4.355 -2.027 1.00 0.00 C ATOM 700 C TYR A 50 -6.041 -3.882 -1.043 1.00 0.00 C ATOM 701 O TYR A 50 -6.574 -2.779 -1.169 1.00 0.00 O ATOM 702 CB TYR A 50 -3.586 -3.973 -1.514 1.00 0.00 C ATOM 703 CG TYR A 50 -3.419 -4.161 -0.023 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.386 -5.432 0.537 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.295 -3.067 0.825 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.234 -5.608 1.899 1.00 0.00 C ATOM 707 CE2 TYR A 50 -3.141 -3.234 2.187 1.00 0.00 C ATOM 708 CZ TYR A 50 -3.111 -4.506 2.720 1.00 0.00 C ATOM 709 OH TYR A 50 -2.959 -4.676 4.077 1.00 0.00 O ATOM 0 H TYR A 50 -4.496 -3.108 -3.644 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.041 -5.440 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.839 -4.573 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.389 -2.931 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.481 -6.297 -0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.319 -2.069 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.212 -6.603 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.045 -2.373 2.832 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.433 -3.935 4.443 1.00 0.00 H new ATOM 719 N LYS A 51 -6.348 -4.724 -0.063 1.00 0.00 N ATOM 720 CA LYS A 51 -7.348 -4.395 0.946 1.00 0.00 C ATOM 721 C LYS A 51 -6.690 -3.824 2.198 1.00 0.00 C ATOM 722 O LYS A 51 -6.247 -4.569 3.073 1.00 0.00 O ATOM 723 CB LYS A 51 -8.166 -5.636 1.307 1.00 0.00 C ATOM 724 CG LYS A 51 -9.422 -5.326 2.104 1.00 0.00 C ATOM 725 CD LYS A 51 -10.117 -6.596 2.566 1.00 0.00 C ATOM 726 CE LYS A 51 -11.546 -6.320 3.008 1.00 0.00 C ATOM 727 NZ LYS A 51 -12.106 -7.445 3.806 1.00 0.00 N ATOM 0 H LYS A 51 -5.918 -5.641 0.054 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.013 -3.638 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.446 -6.155 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.540 -6.319 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.163 -4.716 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.106 -4.738 1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.120 -7.326 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.559 -7.038 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.573 -5.406 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.171 -6.150 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.766 -7.993 3.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.333 -8.062 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.612 -7.067 4.632 1.00 0.00 H new ATOM 741 N CYS A 52 -6.630 -2.499 2.278 1.00 0.00 N ATOM 742 CA CYS A 52 -6.027 -1.828 3.424 1.00 0.00 C ATOM 743 C CYS A 52 -6.332 -2.580 4.716 1.00 0.00 C ATOM 744 O CYS A 52 -7.319 -3.308 4.823 1.00 0.00 O ATOM 745 CB CYS A 52 -6.538 -0.389 3.525 1.00 0.00 C ATOM 746 SG CYS A 52 -8.116 -0.222 4.419 1.00 0.00 S ATOM 0 H CYS A 52 -6.992 -1.868 1.563 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.947 -1.814 3.279 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.784 0.219 4.024 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.658 0.014 2.519 1.00 0.00 H new ATOM 751 N PRO A 53 -5.465 -2.399 5.724 1.00 0.00 N ATOM 752 CA PRO A 53 -5.620 -3.051 7.028 1.00 0.00 C ATOM 753 C PRO A 53 -6.802 -2.497 7.816 1.00 0.00 C ATOM 754 O PRO A 53 -7.242 -3.096 8.797 1.00 0.00 O ATOM 755 CB PRO A 53 -4.304 -2.732 7.742 1.00 0.00 C ATOM 756 CG PRO A 53 -3.820 -1.477 7.102 1.00 0.00 C ATOM 757 CD PRO A 53 -4.267 -1.545 5.668 1.00 0.00 C ATOM 0 HA PRO A 53 -5.820 -4.118 6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.457 -2.597 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.583 -3.541 7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.235 -0.600 7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.735 -1.398 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.497 -0.556 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.497 -1.974 5.027 1.00 0.00 H new ATOM 765 N SER A 54 -7.312 -1.349 7.380 1.00 0.00 N ATOM 766 CA SER A 54 -8.441 -0.712 8.048 1.00 0.00 C ATOM 767 C SER A 54 -9.756 -1.364 7.632 1.00 0.00 C ATOM 768 O SER A 54 -10.747 -1.313 8.361 1.00 0.00 O ATOM 769 CB SER A 54 -8.475 0.783 7.724 1.00 0.00 C ATOM 770 OG SER A 54 -9.447 1.453 8.509 1.00 0.00 O ATOM 0 H SER A 54 -6.961 -0.842 6.568 1.00 0.00 H new ATOM 0 HA SER A 54 -8.316 -0.841 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.493 1.220 7.905 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.697 0.924 6.666 1.00 0.00 H new ATOM 0 HG SER A 54 -9.448 2.407 8.284 1.00 0.00 H new ATOM 776 N CYS A 55 -9.758 -1.978 6.453 1.00 0.00 N ATOM 777 CA CYS A 55 -10.949 -2.641 5.937 1.00 0.00 C ATOM 778 C CYS A 55 -10.952 -4.121 6.307 1.00 0.00 C ATOM 779 O CYS A 55 -11.911 -4.624 6.892 1.00 0.00 O ATOM 780 CB CYS A 55 -11.028 -2.484 4.417 1.00 0.00 C ATOM 781 SG CYS A 55 -11.678 -0.873 3.869 1.00 0.00 S ATOM 0 H CYS A 55 -8.947 -2.030 5.837 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.821 -2.170 6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.033 -2.624 3.996 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.660 -3.275 4.013 1.00 0.00 H new ATOM 786 N SER A 56 -9.871 -4.814 5.962 1.00 0.00 N ATOM 787 CA SER A 56 -9.749 -6.237 6.255 1.00 0.00 C ATOM 788 C SER A 56 -10.236 -6.545 7.668 1.00 0.00 C ATOM 789 O SER A 56 -10.635 -7.669 7.967 1.00 0.00 O ATOM 790 CB SER A 56 -8.297 -6.690 6.094 1.00 0.00 C ATOM 791 OG SER A 56 -7.995 -7.758 6.975 1.00 0.00 O ATOM 0 H SER A 56 -9.067 -4.413 5.479 1.00 0.00 H new ATOM 0 HA SER A 56 -10.373 -6.783 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.123 -7.003 5.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.628 -5.852 6.290 1.00 0.00 H new ATOM 0 HG SER A 56 -7.062 -8.030 6.851 1.00 0.00 H new ATOM 797 N ASN A 57 -10.199 -5.536 8.532 1.00 0.00 N ATOM 798 CA ASN A 57 -10.636 -5.698 9.914 1.00 0.00 C ATOM 799 C ASN A 57 -12.140 -5.940 9.985 1.00 0.00 C ATOM 800 O ASN A 57 -12.595 -6.927 10.564 1.00 0.00 O ATOM 801 CB ASN A 57 -10.268 -4.460 10.735 1.00 0.00 C ATOM 802 CG ASN A 57 -10.131 -4.767 12.214 1.00 0.00 C ATOM 803 OD1 ASN A 57 -11.113 -4.749 12.957 1.00 0.00 O ATOM 804 ND2 ASN A 57 -8.909 -5.051 12.648 1.00 0.00 N ATOM 0 H ASN A 57 -9.871 -4.598 8.300 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.127 -6.567 10.330 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.330 -4.047 10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.031 -3.694 10.595 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.755 -5.266 13.633 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.124 -5.054 11.996 1.00 0.00 H new ATOM 811 N LYS A 58 -12.908 -5.034 9.390 1.00 0.00 N ATOM 812 CA LYS A 58 -14.362 -5.148 9.382 1.00 0.00 C ATOM 813 C LYS A 58 -14.819 -6.206 8.383 1.00 0.00 C ATOM 814 O LYS A 58 -14.073 -6.585 7.480 1.00 0.00 O ATOM 815 CB LYS A 58 -14.999 -3.799 9.041 1.00 0.00 C ATOM 816 CG LYS A 58 -14.985 -3.479 7.556 1.00 0.00 C ATOM 817 CD LYS A 58 -14.964 -1.980 7.310 1.00 0.00 C ATOM 818 CE LYS A 58 -15.282 -1.649 5.859 1.00 0.00 C ATOM 819 NZ LYS A 58 -14.881 -0.259 5.507 1.00 0.00 N ATOM 0 H LYS A 58 -12.547 -4.211 8.906 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.683 -5.452 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.030 -3.793 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.472 -3.011 9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.112 -3.937 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.864 -3.915 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.688 -1.493 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.983 -1.581 7.569 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.767 -2.352 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.350 -1.774 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.599 0.162 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.800 0.309 6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.964 -0.276 5.017 1.00 0.00 H new ATOM 833 N SER A 59 -16.051 -6.678 8.549 1.00 0.00 N ATOM 834 CA SER A 59 -16.606 -7.693 7.662 1.00 0.00 C ATOM 835 C SER A 59 -17.474 -7.055 6.582 1.00 0.00 C ATOM 836 O SER A 59 -17.247 -7.253 5.389 1.00 0.00 O ATOM 837 CB SER A 59 -17.430 -8.704 8.463 1.00 0.00 C ATOM 838 OG SER A 59 -18.473 -8.062 9.176 1.00 0.00 O ATOM 0 H SER A 59 -16.683 -6.374 9.289 1.00 0.00 H new ATOM 0 HA SER A 59 -15.777 -8.211 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.852 -9.450 7.789 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.782 -9.235 9.160 1.00 0.00 H new ATOM 0 HG SER A 59 -18.985 -8.730 9.678 1.00 0.00 H new ATOM 844 N GLY A 60 -18.472 -6.287 7.010 1.00 0.00 N ATOM 845 CA GLY A 60 -19.360 -5.631 6.068 1.00 0.00 C ATOM 846 C GLY A 60 -18.880 -4.244 5.688 1.00 0.00 C ATOM 847 O GLY A 60 -18.369 -3.492 6.517 1.00 0.00 O ATOM 0 H GLY A 60 -18.681 -6.108 7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.446 -6.241 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.357 -5.561 6.502 1.00 0.00 H new ATOM 851 N PRO A 61 -19.041 -3.889 4.404 1.00 0.00 N ATOM 852 CA PRO A 61 -18.626 -2.582 3.886 1.00 0.00 C ATOM 853 C PRO A 61 -19.497 -1.447 4.412 1.00 0.00 C ATOM 854 O PRO A 61 -20.714 -1.588 4.528 1.00 0.00 O ATOM 855 CB PRO A 61 -18.797 -2.730 2.372 1.00 0.00 C ATOM 856 CG PRO A 61 -19.834 -3.787 2.210 1.00 0.00 C ATOM 857 CD PRO A 61 -19.642 -4.736 3.360 1.00 0.00 C ATOM 0 HA PRO A 61 -17.611 -2.326 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.113 -1.792 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -17.861 -3.017 1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.835 -3.356 2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -19.720 -4.302 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -20.588 -5.167 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.989 -5.567 3.091 1.00 0.00 H new ATOM 865 N SER A 62 -18.865 -0.321 4.729 1.00 0.00 N ATOM 866 CA SER A 62 -19.583 0.838 5.246 1.00 0.00 C ATOM 867 C SER A 62 -20.740 1.216 4.326 1.00 0.00 C ATOM 868 O SER A 62 -21.875 1.379 4.773 1.00 0.00 O ATOM 869 CB SER A 62 -18.632 2.026 5.401 1.00 0.00 C ATOM 870 OG SER A 62 -18.051 2.380 4.158 1.00 0.00 O ATOM 0 H SER A 62 -17.858 -0.187 4.637 1.00 0.00 H new ATOM 0 HA SER A 62 -19.989 0.576 6.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.174 2.879 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.847 1.777 6.115 1.00 0.00 H new ATOM 0 HG SER A 62 -17.449 3.143 4.284 1.00 0.00 H new ATOM 876 N SER A 63 -20.443 1.353 3.038 1.00 0.00 N ATOM 877 CA SER A 63 -21.457 1.715 2.054 1.00 0.00 C ATOM 878 C SER A 63 -22.540 0.644 1.972 1.00 0.00 C ATOM 879 O SER A 63 -23.728 0.936 2.102 1.00 0.00 O ATOM 880 CB SER A 63 -20.815 1.914 0.679 1.00 0.00 C ATOM 881 OG SER A 63 -21.786 2.271 -0.289 1.00 0.00 O ATOM 0 H SER A 63 -19.509 1.219 2.651 1.00 0.00 H new ATOM 0 HA SER A 63 -21.918 2.650 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.053 2.691 0.739 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.311 0.997 0.373 1.00 0.00 H new ATOM 0 HG SER A 63 -21.351 2.394 -1.159 1.00 0.00 H new ATOM 887 N GLY A 64 -22.121 -0.599 1.754 1.00 0.00 N ATOM 888 CA GLY A 64 -23.067 -1.695 1.657 1.00 0.00 C ATOM 889 C GLY A 64 -22.815 -2.573 0.448 1.00 0.00 C ATOM 890 O GLY A 64 -22.263 -3.662 0.603 1.00 0.00 O ATOM 0 H GLY A 64 -21.143 -0.866 1.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -23.010 -2.301 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -24.079 -1.294 1.606 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.756 6.014 7.393 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.913 0.459 3.054 1.00 0.00 ZN