USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 166 HIS HE2 : A 166 HIS NE2 : A 202 ZNZN :(H bumps) USER MOD Single : A 96 SER OG : rot 34:sc= 0.0715 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.744 (180deg=0.649) USER MOD Single : A 101 THR OG1 : rot -159:sc= 0.768 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.324 K(o=-0.32,f=-3.9!) USER MOD Single : A 126 HIS : no HD1:sc= -0.535 K(o=-0.54,f=-1.7) USER MOD Single : A 132 MET CE :methyl -117:sc= -0.0347 (180deg=-0.826) USER MOD Single : A 133 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.42) USER MOD Single : A 138 ASN :FLIP amide:sc= -0.0495 F(o=-1.8!,f=-0.049) USER MOD Single : A 139 HIS : no HD1:sc= 0.199 K(o=0.2,f=-5.7!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 149 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0112) USER MOD Single : A 151 SER OG : rot 8:sc= 0.341 USER MOD Single : A 152 MET CE :methyl -135:sc= -0.147 (180deg=-0.414) USER MOD Single : A 153 THR OG1 : rot -79:sc= 1.08 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 168:sc= -0.0172 (180deg=-0.179) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 LYS NZ :NH3+ -103:sc= -0.323 (180deg=-1.32) USER MOD Single : A 172 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 96 7.019 13.578 14.554 1.00 43.02 N ATOM 2 CA SER A 96 6.287 13.800 13.286 1.00 21.04 C ATOM 3 C SER A 96 5.104 12.827 13.162 1.00 21.13 C ATOM 4 O SER A 96 5.096 11.766 13.800 1.00 61.14 O ATOM 5 CB SER A 96 7.253 13.642 12.094 1.00 32.41 C ATOM 6 OG SER A 96 8.341 14.552 12.190 1.00 52.32 O ATOM 0 HA SER A 96 5.886 14.813 13.283 1.00 21.04 H new ATOM 0 HB2 SER A 96 7.632 12.620 12.062 1.00 32.41 H new ATOM 0 HB3 SER A 96 6.715 13.812 11.161 1.00 32.41 H new ATOM 0 HG SER A 96 8.570 14.690 13.133 1.00 52.32 H new ATOM 14 N ASP A 97 4.107 13.203 12.339 1.00 43.35 N ATOM 15 CA ASP A 97 2.920 12.368 12.060 1.00 42.23 C ATOM 16 C ASP A 97 3.307 11.170 11.160 1.00 11.31 C ATOM 17 O ASP A 97 4.172 11.302 10.286 1.00 54.22 O ATOM 18 CB ASP A 97 1.821 13.235 11.390 1.00 60.21 C ATOM 19 CG ASP A 97 0.487 12.495 11.201 1.00 61.24 C ATOM 20 OD1 ASP A 97 -0.325 12.457 12.150 1.00 33.14 O ATOM 21 OD2 ASP A 97 0.246 11.944 10.108 1.00 52.24 O ATOM 0 H ASP A 97 4.101 14.096 11.847 1.00 43.35 H new ATOM 0 HA ASP A 97 2.528 11.971 12.996 1.00 42.23 H new ATOM 0 HB2 ASP A 97 1.651 14.125 11.996 1.00 60.21 H new ATOM 0 HB3 ASP A 97 2.180 13.575 10.418 1.00 60.21 H new ATOM 26 N ALA A 98 2.661 10.010 11.382 1.00 72.45 N ATOM 27 CA ALA A 98 3.000 8.740 10.698 1.00 44.52 C ATOM 28 C ALA A 98 1.875 8.253 9.764 1.00 22.42 C ATOM 29 O ALA A 98 2.008 7.201 9.124 1.00 54.13 O ATOM 30 CB ALA A 98 3.331 7.668 11.746 1.00 43.43 C ATOM 0 H ALA A 98 1.887 9.923 12.041 1.00 72.45 H new ATOM 0 HA ALA A 98 3.870 8.924 10.068 1.00 44.52 H new ATOM 0 HB1 ALA A 98 3.581 6.733 11.244 1.00 43.43 H new ATOM 0 HB2 ALA A 98 4.180 7.996 12.346 1.00 43.43 H new ATOM 0 HB3 ALA A 98 2.468 7.513 12.393 1.00 43.43 H new ATOM 36 N PHE A 99 0.766 9.005 9.695 1.00 25.25 N ATOM 37 CA PHE A 99 -0.370 8.675 8.814 1.00 75.23 C ATOM 38 C PHE A 99 -0.263 9.419 7.477 1.00 30.32 C ATOM 39 O PHE A 99 -0.455 10.641 7.418 1.00 45.52 O ATOM 40 CB PHE A 99 -1.726 8.978 9.512 1.00 21.13 C ATOM 41 CG PHE A 99 -2.211 7.849 10.422 1.00 52.11 C ATOM 42 CD1 PHE A 99 -1.798 7.756 11.751 1.00 31.44 C ATOM 43 CD2 PHE A 99 -3.072 6.866 9.929 1.00 41.40 C ATOM 44 CE1 PHE A 99 -2.233 6.720 12.557 1.00 3.34 C ATOM 45 CE2 PHE A 99 -3.507 5.834 10.734 1.00 32.40 C ATOM 46 CZ PHE A 99 -3.088 5.759 12.050 1.00 11.54 C ATOM 0 H PHE A 99 0.629 9.854 10.244 1.00 25.25 H new ATOM 0 HA PHE A 99 -0.332 7.605 8.607 1.00 75.23 H new ATOM 0 HB2 PHE A 99 -1.627 9.890 10.100 1.00 21.13 H new ATOM 0 HB3 PHE A 99 -2.482 9.170 8.751 1.00 21.13 H new ATOM 0 HD1 PHE A 99 -1.130 8.502 12.156 1.00 31.44 H new ATOM 0 HD2 PHE A 99 -3.402 6.915 8.902 1.00 41.40 H new ATOM 0 HE1 PHE A 99 -1.904 6.661 13.584 1.00 3.34 H new ATOM 0 HE2 PHE A 99 -4.175 5.084 10.337 1.00 32.40 H new ATOM 0 HZ PHE A 99 -3.428 4.951 12.681 1.00 11.54 H new ATOM 56 N LYS A 100 0.099 8.653 6.426 1.00 75.52 N ATOM 57 CA LYS A 100 0.009 9.060 5.008 1.00 70.40 C ATOM 58 C LYS A 100 0.959 10.221 4.656 1.00 31.33 C ATOM 59 O LYS A 100 0.833 10.836 3.595 1.00 43.13 O ATOM 60 CB LYS A 100 -1.471 9.377 4.636 1.00 12.34 C ATOM 61 CG LYS A 100 -2.446 8.199 4.875 1.00 73.14 C ATOM 62 CD LYS A 100 -3.920 8.552 4.564 1.00 0.23 C ATOM 63 CE LYS A 100 -4.885 7.406 4.920 1.00 52.23 C ATOM 64 NZ LYS A 100 -6.296 7.730 4.577 1.00 35.32 N ATOM 0 H LYS A 100 0.471 7.711 6.543 1.00 75.52 H new ATOM 0 HA LYS A 100 0.345 8.219 4.401 1.00 70.40 H new ATOM 0 HB2 LYS A 100 -1.805 10.236 5.218 1.00 12.34 H new ATOM 0 HB3 LYS A 100 -1.517 9.666 3.586 1.00 12.34 H new ATOM 0 HG2 LYS A 100 -2.143 7.355 4.256 1.00 73.14 H new ATOM 0 HG3 LYS A 100 -2.368 7.877 5.913 1.00 73.14 H new ATOM 0 HD2 LYS A 100 -4.202 9.446 5.120 1.00 0.23 H new ATOM 0 HD3 LYS A 100 -4.018 8.790 3.505 1.00 0.23 H new ATOM 0 HE2 LYS A 100 -4.583 6.502 4.391 1.00 52.23 H new ATOM 0 HE3 LYS A 100 -4.813 7.191 5.986 1.00 52.23 H new ATOM 0 HZ1 LYS A 100 -6.928 7.019 4.999 1.00 35.32 H new ATOM 0 HZ2 LYS A 100 -6.536 8.671 4.949 1.00 35.32 H new ATOM 0 HZ3 LYS A 100 -6.412 7.726 3.543 1.00 35.32 H new ATOM 78 N THR A 101 1.938 10.470 5.537 1.00 50.24 N ATOM 79 CA THR A 101 2.975 11.491 5.334 1.00 71.00 C ATOM 80 C THR A 101 4.078 10.977 4.384 1.00 1.13 C ATOM 81 O THR A 101 4.883 11.758 3.864 1.00 24.01 O ATOM 82 CB THR A 101 3.578 11.925 6.707 1.00 40.04 C ATOM 83 OG1 THR A 101 4.003 10.760 7.444 1.00 2.03 O ATOM 84 CG2 THR A 101 2.565 12.722 7.551 1.00 60.34 C ATOM 0 H THR A 101 2.033 9.964 6.418 1.00 50.24 H new ATOM 0 HA THR A 101 2.516 12.362 4.867 1.00 71.00 H new ATOM 0 HB THR A 101 4.431 12.572 6.503 1.00 40.04 H new ATOM 0 HG1 THR A 101 4.067 10.981 8.397 1.00 2.03 H new ATOM 0 HG21 THR A 101 3.024 13.005 8.498 1.00 60.34 H new ATOM 0 HG22 THR A 101 2.267 13.620 7.010 1.00 60.34 H new ATOM 0 HG23 THR A 101 1.687 12.106 7.743 1.00 60.34 H new ATOM 92 N ALA A 102 4.094 9.654 4.174 1.00 70.22 N ATOM 93 CA ALA A 102 4.984 8.977 3.228 1.00 70.41 C ATOM 94 C ALA A 102 4.155 7.997 2.382 1.00 3.13 C ATOM 95 O ALA A 102 3.207 7.385 2.894 1.00 52.51 O ATOM 96 CB ALA A 102 6.104 8.247 3.990 1.00 21.11 C ATOM 0 H ALA A 102 3.474 9.013 4.669 1.00 70.22 H new ATOM 0 HA ALA A 102 5.453 9.705 2.566 1.00 70.41 H new ATOM 0 HB1 ALA A 102 6.761 7.746 3.279 1.00 21.11 H new ATOM 0 HB2 ALA A 102 6.679 8.968 4.570 1.00 21.11 H new ATOM 0 HB3 ALA A 102 5.666 7.508 4.661 1.00 21.11 H new ATOM 102 N LEU A 103 4.495 7.887 1.084 1.00 33.33 N ATOM 103 CA LEU A 103 3.858 6.927 0.158 1.00 54.43 C ATOM 104 C LEU A 103 4.110 5.468 0.588 1.00 30.43 C ATOM 105 O LEU A 103 5.147 5.140 1.185 1.00 52.22 O ATOM 106 CB LEU A 103 4.364 7.140 -1.298 1.00 23.34 C ATOM 107 CG LEU A 103 3.882 8.440 -2.018 1.00 43.21 C ATOM 108 CD1 LEU A 103 4.545 8.582 -3.408 1.00 73.12 C ATOM 109 CD2 LEU A 103 2.334 8.480 -2.129 1.00 11.54 C ATOM 0 H LEU A 103 5.217 8.459 0.647 1.00 33.33 H new ATOM 0 HA LEU A 103 2.785 7.114 0.193 1.00 54.43 H new ATOM 0 HB2 LEU A 103 5.454 7.141 -1.284 1.00 23.34 H new ATOM 0 HB3 LEU A 103 4.054 6.283 -1.896 1.00 23.34 H new ATOM 0 HG LEU A 103 4.192 9.291 -1.411 1.00 43.21 H new ATOM 0 HD11 LEU A 103 4.192 9.495 -3.888 1.00 73.12 H new ATOM 0 HD12 LEU A 103 5.628 8.628 -3.292 1.00 73.12 H new ATOM 0 HD13 LEU A 103 4.283 7.723 -4.026 1.00 73.12 H new ATOM 0 HD21 LEU A 103 2.029 9.396 -2.634 1.00 11.54 H new ATOM 0 HD22 LEU A 103 1.988 7.618 -2.700 1.00 11.54 H new ATOM 0 HD23 LEU A 103 1.897 8.454 -1.131 1.00 11.54 H new ATOM 121 N CYS A 104 3.138 4.610 0.261 1.00 22.41 N ATOM 122 CA CYS A 104 3.198 3.173 0.520 1.00 13.23 C ATOM 123 C CYS A 104 4.012 2.493 -0.583 1.00 41.12 C ATOM 124 O CYS A 104 3.590 2.477 -1.745 1.00 65.42 O ATOM 125 CB CYS A 104 1.762 2.619 0.575 1.00 63.41 C ATOM 126 SG CYS A 104 1.615 0.839 0.922 1.00 42.44 S ATOM 0 H CYS A 104 2.275 4.902 -0.198 1.00 22.41 H new ATOM 0 HA CYS A 104 3.686 2.975 1.474 1.00 13.23 H new ATOM 0 HB2 CYS A 104 1.210 3.166 1.339 1.00 63.41 H new ATOM 0 HB3 CYS A 104 1.276 2.826 -0.378 1.00 63.41 H new ATOM 131 N ASP A 105 5.186 1.962 -0.209 1.00 55.51 N ATOM 132 CA ASP A 105 6.102 1.268 -1.133 1.00 75.40 C ATOM 133 C ASP A 105 5.413 0.037 -1.752 1.00 74.12 C ATOM 134 O ASP A 105 5.516 -0.196 -2.961 1.00 61.43 O ATOM 135 CB ASP A 105 7.394 0.850 -0.381 1.00 12.14 C ATOM 136 CG ASP A 105 8.404 0.092 -1.268 1.00 32.14 C ATOM 137 OD1 ASP A 105 8.417 -1.160 -1.252 1.00 62.12 O ATOM 138 OD2 ASP A 105 9.180 0.747 -2.001 1.00 42.44 O ATOM 0 H ASP A 105 5.531 2.001 0.750 1.00 55.51 H new ATOM 0 HA ASP A 105 6.371 1.949 -1.941 1.00 75.40 H new ATOM 0 HB2 ASP A 105 7.874 1.741 0.023 1.00 12.14 H new ATOM 0 HB3 ASP A 105 7.124 0.221 0.467 1.00 12.14 H new ATOM 143 N ALA A 106 4.687 -0.711 -0.897 1.00 3.23 N ATOM 144 CA ALA A 106 3.923 -1.911 -1.299 1.00 62.35 C ATOM 145 C ALA A 106 2.846 -1.575 -2.347 1.00 54.50 C ATOM 146 O ALA A 106 2.575 -2.376 -3.248 1.00 41.21 O ATOM 147 CB ALA A 106 3.289 -2.584 -0.071 1.00 41.53 C ATOM 0 H ALA A 106 4.613 -0.499 0.098 1.00 3.23 H new ATOM 0 HA ALA A 106 4.624 -2.608 -1.758 1.00 62.35 H new ATOM 0 HB1 ALA A 106 2.731 -3.465 -0.387 1.00 41.53 H new ATOM 0 HB2 ALA A 106 4.072 -2.881 0.626 1.00 41.53 H new ATOM 0 HB3 ALA A 106 2.614 -1.883 0.420 1.00 41.53 H new ATOM 153 N TYR A 107 2.244 -0.376 -2.219 1.00 44.12 N ATOM 154 CA TYR A 107 1.241 0.120 -3.173 1.00 73.12 C ATOM 155 C TYR A 107 1.902 0.475 -4.511 1.00 31.20 C ATOM 156 O TYR A 107 1.410 0.085 -5.555 1.00 41.42 O ATOM 157 CB TYR A 107 0.481 1.347 -2.607 1.00 44.45 C ATOM 158 CG TYR A 107 -0.581 1.925 -3.561 1.00 34.10 C ATOM 159 CD1 TYR A 107 -1.841 1.331 -3.681 1.00 20.15 C ATOM 160 CD2 TYR A 107 -0.311 3.040 -4.370 1.00 73.42 C ATOM 161 CE1 TYR A 107 -2.782 1.818 -4.568 1.00 43.42 C ATOM 162 CE2 TYR A 107 -1.253 3.530 -5.248 1.00 4.14 C ATOM 163 CZ TYR A 107 -2.486 2.916 -5.347 1.00 52.10 C ATOM 164 OH TYR A 107 -3.420 3.394 -6.243 1.00 51.43 O ATOM 0 H TYR A 107 2.440 0.270 -1.455 1.00 44.12 H new ATOM 0 HA TYR A 107 0.516 -0.678 -3.338 1.00 73.12 H new ATOM 0 HB2 TYR A 107 -0.002 1.062 -1.673 1.00 44.45 H new ATOM 0 HB3 TYR A 107 1.202 2.128 -2.367 1.00 44.45 H new ATOM 0 HD1 TYR A 107 -2.083 0.475 -3.069 1.00 20.15 H new ATOM 0 HD2 TYR A 107 0.653 3.523 -4.303 1.00 73.42 H new ATOM 0 HE1 TYR A 107 -3.747 1.340 -4.651 1.00 43.42 H new ATOM 0 HE2 TYR A 107 -1.028 4.393 -5.858 1.00 4.14 H new ATOM 0 HH TYR A 107 -3.054 4.173 -6.712 1.00 51.43 H new ATOM 174 N LYS A 108 3.017 1.216 -4.457 1.00 53.01 N ATOM 175 CA LYS A 108 3.709 1.717 -5.663 1.00 12.45 C ATOM 176 C LYS A 108 4.232 0.563 -6.547 1.00 22.30 C ATOM 177 O LYS A 108 4.125 0.616 -7.781 1.00 25.22 O ATOM 178 CB LYS A 108 4.884 2.643 -5.258 1.00 71.42 C ATOM 179 CG LYS A 108 4.476 3.960 -4.557 1.00 75.32 C ATOM 180 CD LYS A 108 5.705 4.795 -4.110 1.00 72.23 C ATOM 181 CE LYS A 108 6.640 5.167 -5.280 1.00 31.15 C ATOM 182 NZ LYS A 108 7.866 5.875 -4.827 1.00 60.31 N ATOM 0 H LYS A 108 3.467 1.487 -3.583 1.00 53.01 H new ATOM 0 HA LYS A 108 2.982 2.282 -6.247 1.00 12.45 H new ATOM 0 HB2 LYS A 108 5.550 2.089 -4.596 1.00 71.42 H new ATOM 0 HB3 LYS A 108 5.456 2.889 -6.153 1.00 71.42 H new ATOM 0 HG2 LYS A 108 3.863 4.554 -5.234 1.00 75.32 H new ATOM 0 HG3 LYS A 108 3.860 3.730 -3.688 1.00 75.32 H new ATOM 0 HD2 LYS A 108 5.360 5.708 -3.624 1.00 72.23 H new ATOM 0 HD3 LYS A 108 6.269 4.232 -3.367 1.00 72.23 H new ATOM 0 HE2 LYS A 108 6.925 4.261 -5.815 1.00 31.15 H new ATOM 0 HE3 LYS A 108 6.100 5.798 -5.986 1.00 31.15 H new ATOM 0 HZ1 LYS A 108 8.460 6.102 -5.650 1.00 60.31 H new ATOM 0 HZ2 LYS A 108 7.599 6.754 -4.339 1.00 60.31 H new ATOM 0 HZ3 LYS A 108 8.398 5.265 -4.174 1.00 60.31 H new ATOM 196 N ARG A 109 4.772 -0.481 -5.897 1.00 75.31 N ATOM 197 CA ARG A 109 5.456 -1.594 -6.590 1.00 51.21 C ATOM 198 C ARG A 109 4.452 -2.610 -7.181 1.00 3.04 C ATOM 199 O ARG A 109 4.749 -3.259 -8.190 1.00 44.34 O ATOM 200 CB ARG A 109 6.462 -2.293 -5.625 1.00 2.04 C ATOM 201 CG ARG A 109 5.829 -3.077 -4.455 1.00 52.41 C ATOM 202 CD ARG A 109 6.872 -3.591 -3.442 1.00 52.24 C ATOM 203 NE ARG A 109 6.242 -4.409 -2.390 1.00 14.21 N ATOM 204 CZ ARG A 109 6.686 -4.552 -1.131 1.00 45.15 C ATOM 205 NH1 ARG A 109 7.786 -3.931 -0.711 1.00 5.43 N ATOM 206 NH2 ARG A 109 6.007 -5.311 -0.289 1.00 40.24 N ATOM 0 H ARG A 109 4.749 -0.581 -4.882 1.00 75.31 H new ATOM 0 HA ARG A 109 6.011 -1.174 -7.429 1.00 51.21 H new ATOM 0 HB2 ARG A 109 7.079 -2.978 -6.206 1.00 2.04 H new ATOM 0 HB3 ARG A 109 7.129 -1.535 -5.213 1.00 2.04 H new ATOM 0 HG2 ARG A 109 5.115 -2.436 -3.939 1.00 52.41 H new ATOM 0 HG3 ARG A 109 5.269 -3.923 -4.853 1.00 52.41 H new ATOM 0 HD2 ARG A 109 7.626 -4.182 -3.962 1.00 52.24 H new ATOM 0 HD3 ARG A 109 7.388 -2.745 -2.987 1.00 52.24 H new ATOM 0 HE ARG A 109 5.391 -4.912 -2.641 1.00 14.21 H new ATOM 0 HH11 ARG A 109 8.309 -3.332 -1.350 1.00 5.43 H new ATOM 0 HH12 ARG A 109 8.106 -4.054 0.250 1.00 5.43 H new ATOM 0 HH21 ARG A 109 5.156 -5.780 -0.598 1.00 40.24 H new ATOM 0 HH22 ARG A 109 6.334 -5.428 0.670 1.00 40.24 H new ATOM 220 N SER A 110 3.266 -2.737 -6.553 1.00 13.43 N ATOM 221 CA SER A 110 2.248 -3.746 -6.938 1.00 13.01 C ATOM 222 C SER A 110 0.960 -3.115 -7.521 1.00 35.43 C ATOM 223 O SER A 110 0.074 -3.849 -7.979 1.00 63.21 O ATOM 224 CB SER A 110 1.911 -4.607 -5.700 1.00 53.02 C ATOM 225 OG SER A 110 3.086 -5.163 -5.125 1.00 22.41 O ATOM 0 H SER A 110 2.984 -2.149 -5.769 1.00 13.43 H new ATOM 0 HA SER A 110 2.671 -4.362 -7.732 1.00 13.01 H new ATOM 0 HB2 SER A 110 1.394 -3.997 -4.959 1.00 53.02 H new ATOM 0 HB3 SER A 110 1.229 -5.408 -5.985 1.00 53.02 H new ATOM 0 HG SER A 110 2.844 -5.701 -4.343 1.00 22.41 H new ATOM 231 N GLN A 111 0.865 -1.760 -7.473 1.00 45.45 N ATOM 232 CA GLN A 111 -0.356 -0.974 -7.837 1.00 65.23 C ATOM 233 C GLN A 111 -1.515 -1.220 -6.834 1.00 41.41 C ATOM 234 O GLN A 111 -2.657 -0.803 -7.074 1.00 35.22 O ATOM 235 CB GLN A 111 -0.797 -1.213 -9.316 1.00 72.15 C ATOM 236 CG GLN A 111 0.224 -0.730 -10.367 1.00 63.10 C ATOM 237 CD GLN A 111 -0.212 -0.972 -11.815 1.00 65.51 C ATOM 238 OE1 GLN A 111 -1.405 -0.994 -12.135 1.00 53.42 O ATOM 239 NE2 GLN A 111 0.756 -1.129 -12.707 1.00 73.24 N ATOM 0 H GLN A 111 1.642 -1.170 -7.177 1.00 45.45 H new ATOM 0 HA GLN A 111 -0.087 0.080 -7.764 1.00 65.23 H new ATOM 0 HB2 GLN A 111 -0.976 -2.278 -9.462 1.00 72.15 H new ATOM 0 HB3 GLN A 111 -1.746 -0.704 -9.487 1.00 72.15 H new ATOM 0 HG2 GLN A 111 0.400 0.336 -10.225 1.00 63.10 H new ATOM 0 HG3 GLN A 111 1.174 -1.236 -10.195 1.00 63.10 H new ATOM 0 HE21 GLN A 111 1.732 -1.106 -12.410 1.00 73.24 H new ATOM 0 HE22 GLN A 111 0.525 -1.273 -13.690 1.00 73.24 H new ATOM 248 N ALA A 112 -1.167 -1.836 -5.685 1.00 52.32 N ATOM 249 CA ALA A 112 -2.093 -2.202 -4.602 1.00 74.12 C ATOM 250 C ALA A 112 -1.264 -2.663 -3.388 1.00 22.24 C ATOM 251 O ALA A 112 -0.310 -3.430 -3.546 1.00 25.12 O ATOM 252 CB ALA A 112 -3.072 -3.304 -5.049 1.00 31.12 C ATOM 0 H ALA A 112 -0.202 -2.099 -5.483 1.00 52.32 H new ATOM 0 HA ALA A 112 -2.695 -1.335 -4.332 1.00 74.12 H new ATOM 0 HB1 ALA A 112 -3.742 -3.551 -4.226 1.00 31.12 H new ATOM 0 HB2 ALA A 112 -3.656 -2.949 -5.898 1.00 31.12 H new ATOM 0 HB3 ALA A 112 -2.512 -4.192 -5.340 1.00 31.12 H new ATOM 258 N CYS A 113 -1.614 -2.175 -2.192 1.00 22.24 N ATOM 259 CA CYS A 113 -0.882 -2.477 -0.944 1.00 3.05 C ATOM 260 C CYS A 113 -1.331 -3.824 -0.357 1.00 53.25 C ATOM 261 O CYS A 113 -2.518 -4.167 -0.424 1.00 42.31 O ATOM 262 CB CYS A 113 -1.119 -1.347 0.067 1.00 13.43 C ATOM 263 SG CYS A 113 -0.282 -1.542 1.675 1.00 31.42 S ATOM 0 H CYS A 113 -2.414 -1.557 -2.056 1.00 22.24 H new ATOM 0 HA CYS A 113 0.183 -2.549 -1.166 1.00 3.05 H new ATOM 0 HB2 CYS A 113 -0.793 -0.408 -0.381 1.00 13.43 H new ATOM 0 HB3 CYS A 113 -2.191 -1.260 0.244 1.00 13.43 H new ATOM 268 N SER A 114 -0.373 -4.567 0.224 1.00 43.42 N ATOM 269 CA SER A 114 -0.611 -5.891 0.830 1.00 74.23 C ATOM 270 C SER A 114 -1.517 -5.790 2.078 1.00 42.11 C ATOM 271 O SER A 114 -2.411 -6.621 2.284 1.00 63.31 O ATOM 272 CB SER A 114 0.751 -6.521 1.199 1.00 74.54 C ATOM 273 OG SER A 114 1.499 -5.652 2.041 1.00 0.22 O ATOM 0 H SER A 114 0.599 -4.263 0.287 1.00 43.42 H new ATOM 0 HA SER A 114 -1.130 -6.522 0.108 1.00 74.23 H new ATOM 0 HB2 SER A 114 0.591 -7.474 1.703 1.00 74.54 H new ATOM 0 HB3 SER A 114 1.317 -6.731 0.292 1.00 74.54 H new ATOM 0 HG SER A 114 2.357 -6.071 2.264 1.00 0.22 H new ATOM 279 N TYR A 115 -1.265 -4.760 2.904 1.00 45.30 N ATOM 280 CA TYR A 115 -2.024 -4.513 4.147 1.00 12.44 C ATOM 281 C TYR A 115 -3.353 -3.797 3.856 1.00 32.51 C ATOM 282 O TYR A 115 -4.348 -4.022 4.559 1.00 43.11 O ATOM 283 CB TYR A 115 -1.175 -3.687 5.139 1.00 44.12 C ATOM 284 CG TYR A 115 0.120 -4.387 5.573 1.00 74.42 C ATOM 285 CD1 TYR A 115 0.087 -5.480 6.445 1.00 24.24 C ATOM 286 CD2 TYR A 115 1.369 -3.971 5.103 1.00 13.24 C ATOM 287 CE1 TYR A 115 1.245 -6.127 6.828 1.00 74.31 C ATOM 288 CE2 TYR A 115 2.529 -4.615 5.490 1.00 13.31 C ATOM 289 CZ TYR A 115 2.463 -5.690 6.350 1.00 64.42 C ATOM 290 OH TYR A 115 3.622 -6.337 6.727 1.00 24.45 O ATOM 0 H TYR A 115 -0.530 -4.074 2.731 1.00 45.30 H new ATOM 0 HA TYR A 115 -2.254 -5.478 4.597 1.00 12.44 H new ATOM 0 HB2 TYR A 115 -0.925 -2.730 4.681 1.00 44.12 H new ATOM 0 HB3 TYR A 115 -1.774 -3.470 6.023 1.00 44.12 H new ATOM 0 HD1 TYR A 115 -0.863 -5.825 6.826 1.00 24.24 H new ATOM 0 HD2 TYR A 115 1.429 -3.132 4.426 1.00 13.24 H new ATOM 0 HE1 TYR A 115 1.197 -6.972 7.499 1.00 74.31 H new ATOM 0 HE2 TYR A 115 3.485 -4.277 5.119 1.00 13.31 H new ATOM 0 HH TYR A 115 4.391 -5.905 6.301 1.00 24.45 H new ATOM 300 N GLY A 116 -3.342 -2.934 2.819 1.00 2.33 N ATOM 301 CA GLY A 116 -4.524 -2.175 2.408 1.00 75.22 C ATOM 302 C GLY A 116 -5.013 -1.197 3.477 1.00 55.30 C ATOM 303 O GLY A 116 -4.395 -0.154 3.698 1.00 24.33 O ATOM 0 H GLY A 116 -2.515 -2.750 2.251 1.00 2.33 H new ATOM 0 HA2 GLY A 116 -4.294 -1.622 1.497 1.00 75.22 H new ATOM 0 HA3 GLY A 116 -5.328 -2.870 2.165 1.00 75.22 H new ATOM 307 N ASP A 117 -6.100 -1.564 4.176 1.00 62.10 N ATOM 308 CA ASP A 117 -6.711 -0.727 5.234 1.00 71.13 C ATOM 309 C ASP A 117 -5.855 -0.729 6.513 1.00 0.21 C ATOM 310 O ASP A 117 -5.924 0.207 7.315 1.00 33.32 O ATOM 311 CB ASP A 117 -8.152 -1.206 5.540 1.00 71.01 C ATOM 312 CG ASP A 117 -9.093 -1.052 4.332 1.00 31.41 C ATOM 313 OD1 ASP A 117 -9.594 0.070 4.094 1.00 15.42 O ATOM 314 OD2 ASP A 117 -9.321 -2.041 3.601 1.00 13.12 O ATOM 0 H ASP A 117 -6.584 -2.449 4.027 1.00 62.10 H new ATOM 0 HA ASP A 117 -6.756 0.298 4.866 1.00 71.13 H new ATOM 0 HB2 ASP A 117 -8.127 -2.252 5.846 1.00 71.01 H new ATOM 0 HB3 ASP A 117 -8.549 -0.638 6.381 1.00 71.01 H new ATOM 319 N GLN A 118 -5.053 -1.793 6.692 1.00 32.51 N ATOM 320 CA GLN A 118 -4.103 -1.910 7.821 1.00 14.11 C ATOM 321 C GLN A 118 -2.836 -1.057 7.585 1.00 31.11 C ATOM 322 O GLN A 118 -2.054 -0.828 8.515 1.00 22.41 O ATOM 323 CB GLN A 118 -3.727 -3.403 8.050 1.00 75.34 C ATOM 324 CG GLN A 118 -4.906 -4.319 8.463 1.00 52.15 C ATOM 325 CD GLN A 118 -5.442 -4.079 9.889 1.00 55.42 C ATOM 326 OE1 GLN A 118 -5.383 -2.975 10.434 1.00 32.22 O ATOM 327 NE2 GLN A 118 -5.988 -5.118 10.500 1.00 23.20 N ATOM 0 H GLN A 118 -5.042 -2.596 6.063 1.00 32.51 H new ATOM 0 HA GLN A 118 -4.592 -1.527 8.717 1.00 14.11 H new ATOM 0 HB2 GLN A 118 -3.285 -3.795 7.134 1.00 75.34 H new ATOM 0 HB3 GLN A 118 -2.959 -3.454 8.822 1.00 75.34 H new ATOM 0 HG2 GLN A 118 -5.722 -4.178 7.755 1.00 52.15 H new ATOM 0 HG3 GLN A 118 -4.587 -5.358 8.380 1.00 52.15 H new ATOM 0 HE21 GLN A 118 -6.027 -6.023 10.031 1.00 23.20 H new ATOM 0 HE22 GLN A 118 -6.370 -5.014 11.440 1.00 23.20 H new ATOM 336 N CYS A 119 -2.640 -0.602 6.334 1.00 65.25 N ATOM 337 CA CYS A 119 -1.517 0.270 5.958 1.00 45.43 C ATOM 338 C CYS A 119 -1.849 1.733 6.303 1.00 51.32 C ATOM 339 O CYS A 119 -2.898 2.247 5.891 1.00 5.53 O ATOM 340 CB CYS A 119 -1.228 0.121 4.451 1.00 75.23 C ATOM 341 SG CYS A 119 0.151 1.135 3.831 1.00 70.52 S ATOM 0 H CYS A 119 -3.258 -0.830 5.555 1.00 65.25 H new ATOM 0 HA CYS A 119 -0.628 -0.023 6.517 1.00 45.43 H new ATOM 0 HB2 CYS A 119 -1.014 -0.926 4.239 1.00 75.23 H new ATOM 0 HB3 CYS A 119 -2.129 0.381 3.896 1.00 75.23 H new ATOM 346 N ARG A 120 -0.954 2.389 7.065 1.00 15.44 N ATOM 347 CA ARG A 120 -1.124 3.802 7.480 1.00 4.41 C ATOM 348 C ARG A 120 -0.476 4.771 6.470 1.00 52.44 C ATOM 349 O ARG A 120 -0.623 5.982 6.603 1.00 14.12 O ATOM 350 CB ARG A 120 -0.539 4.022 8.902 1.00 11.02 C ATOM 351 CG ARG A 120 0.975 3.724 9.047 1.00 43.22 C ATOM 352 CD ARG A 120 1.483 3.951 10.481 1.00 12.24 C ATOM 353 NE ARG A 120 2.908 3.604 10.636 1.00 12.41 N ATOM 354 CZ ARG A 120 3.639 3.798 11.752 1.00 30.15 C ATOM 355 NH1 ARG A 120 3.101 4.344 12.842 1.00 34.52 N ATOM 356 NH2 ARG A 120 4.910 3.426 11.775 1.00 54.15 N ATOM 0 H ARG A 120 -0.095 1.961 7.411 1.00 15.44 H new ATOM 0 HA ARG A 120 -2.192 4.017 7.503 1.00 4.41 H new ATOM 0 HB2 ARG A 120 -0.719 5.056 9.195 1.00 11.02 H new ATOM 0 HB3 ARG A 120 -1.086 3.392 9.604 1.00 11.02 H new ATOM 0 HG2 ARG A 120 1.169 2.692 8.755 1.00 43.22 H new ATOM 0 HG3 ARG A 120 1.535 4.360 8.361 1.00 43.22 H new ATOM 0 HD2 ARG A 120 1.335 4.996 10.755 1.00 12.24 H new ATOM 0 HD3 ARG A 120 0.889 3.353 11.172 1.00 12.24 H new ATOM 0 HE ARG A 120 3.378 3.183 9.834 1.00 12.41 H new ATOM 0 HH11 ARG A 120 2.120 4.623 12.841 1.00 34.52 H new ATOM 0 HH12 ARG A 120 3.670 4.483 13.677 1.00 34.52 H new ATOM 0 HH21 ARG A 120 5.330 2.995 10.951 1.00 54.15 H new ATOM 0 HH22 ARG A 120 5.468 3.570 12.616 1.00 54.15 H new ATOM 370 N PHE A 121 0.241 4.221 5.472 1.00 3.42 N ATOM 371 CA PHE A 121 0.927 5.009 4.425 1.00 53.44 C ATOM 372 C PHE A 121 -0.045 5.405 3.294 1.00 72.41 C ATOM 373 O PHE A 121 -1.089 4.766 3.106 1.00 42.30 O ATOM 374 CB PHE A 121 2.113 4.209 3.838 1.00 72.35 C ATOM 375 CG PHE A 121 3.263 3.950 4.809 1.00 5.31 C ATOM 376 CD1 PHE A 121 3.189 2.923 5.750 1.00 72.24 C ATOM 377 CD2 PHE A 121 4.425 4.725 4.771 1.00 45.31 C ATOM 378 CE1 PHE A 121 4.233 2.681 6.618 1.00 51.33 C ATOM 379 CE2 PHE A 121 5.469 4.481 5.641 1.00 74.23 C ATOM 380 CZ PHE A 121 5.373 3.458 6.563 1.00 74.25 C ATOM 0 H PHE A 121 0.363 3.214 5.367 1.00 3.42 H new ATOM 0 HA PHE A 121 1.302 5.921 4.890 1.00 53.44 H new ATOM 0 HB2 PHE A 121 1.741 3.251 3.476 1.00 72.35 H new ATOM 0 HB3 PHE A 121 2.502 4.747 2.974 1.00 72.35 H new ATOM 0 HD1 PHE A 121 2.302 2.309 5.800 1.00 72.24 H new ATOM 0 HD2 PHE A 121 4.508 5.526 4.051 1.00 45.31 H new ATOM 0 HE1 PHE A 121 4.159 1.883 7.342 1.00 51.33 H new ATOM 0 HE2 PHE A 121 6.360 5.090 5.600 1.00 74.23 H new ATOM 0 HZ PHE A 121 6.190 3.265 7.242 1.00 74.25 H new ATOM 390 N ALA A 122 0.342 6.448 2.535 1.00 32.34 N ATOM 391 CA ALA A 122 -0.479 7.042 1.465 1.00 51.15 C ATOM 392 C ALA A 122 -0.569 6.144 0.215 1.00 11.41 C ATOM 393 O ALA A 122 0.451 5.727 -0.339 1.00 50.21 O ATOM 394 CB ALA A 122 0.097 8.403 1.086 1.00 11.25 C ATOM 0 H ALA A 122 1.246 6.907 2.650 1.00 32.34 H new ATOM 0 HA ALA A 122 -1.493 7.150 1.850 1.00 51.15 H new ATOM 0 HB1 ALA A 122 -0.507 8.846 0.295 1.00 11.25 H new ATOM 0 HB2 ALA A 122 0.089 9.057 1.958 1.00 11.25 H new ATOM 0 HB3 ALA A 122 1.121 8.279 0.734 1.00 11.25 H new ATOM 400 N HIS A 123 -1.807 5.871 -0.220 1.00 45.31 N ATOM 401 CA HIS A 123 -2.107 5.100 -1.439 1.00 64.52 C ATOM 402 C HIS A 123 -2.483 6.081 -2.567 1.00 4.13 C ATOM 403 O HIS A 123 -3.633 6.137 -3.016 1.00 71.44 O ATOM 404 CB HIS A 123 -3.246 4.081 -1.136 1.00 21.51 C ATOM 405 CG HIS A 123 -2.875 3.018 -0.128 1.00 21.21 C ATOM 406 ND1 HIS A 123 -3.773 2.157 0.445 1.00 1.31 N ATOM 407 CD2 HIS A 123 -1.658 2.651 0.350 1.00 35.40 C ATOM 408 CE1 HIS A 123 -3.100 1.319 1.232 1.00 62.12 C ATOM 409 NE2 HIS A 123 -1.798 1.572 1.213 1.00 75.14 N ATOM 0 H HIS A 123 -2.644 6.184 0.272 1.00 45.31 H new ATOM 0 HA HIS A 123 -1.237 4.530 -1.766 1.00 64.52 H new ATOM 0 HB2 HIS A 123 -4.117 4.625 -0.770 1.00 21.51 H new ATOM 0 HB3 HIS A 123 -3.541 3.596 -2.066 1.00 21.51 H new ATOM 0 HD1 HIS A 123 -4.782 2.157 0.295 1.00 1.31 H new ATOM 0 HD2 HIS A 123 -0.722 3.127 0.097 1.00 35.40 H new ATOM 0 HE1 HIS A 123 -3.557 0.532 1.813 1.00 62.12 H new ATOM 417 N GLY A 124 -1.486 6.874 -2.991 1.00 3.30 N ATOM 418 CA GLY A 124 -1.678 7.959 -3.966 1.00 12.23 C ATOM 419 C GLY A 124 -1.393 9.324 -3.353 1.00 44.42 C ATOM 420 O GLY A 124 -1.311 9.447 -2.122 1.00 60.22 O ATOM 0 H GLY A 124 -0.523 6.781 -2.667 1.00 3.30 H new ATOM 0 HA2 GLY A 124 -1.021 7.800 -4.821 1.00 12.23 H new ATOM 0 HA3 GLY A 124 -2.701 7.935 -4.341 1.00 12.23 H new ATOM 424 N VAL A 125 -1.243 10.358 -4.209 1.00 60.04 N ATOM 425 CA VAL A 125 -0.916 11.728 -3.756 1.00 64.43 C ATOM 426 C VAL A 125 -2.146 12.423 -3.125 1.00 61.33 C ATOM 427 O VAL A 125 -1.998 13.359 -2.332 1.00 11.53 O ATOM 428 CB VAL A 125 -0.292 12.610 -4.909 1.00 22.43 C ATOM 429 CG1 VAL A 125 -1.327 12.944 -6.014 1.00 70.35 C ATOM 430 CG2 VAL A 125 0.378 13.893 -4.335 1.00 22.32 C ATOM 0 H VAL A 125 -1.343 10.270 -5.220 1.00 60.04 H new ATOM 0 HA VAL A 125 -0.153 11.628 -2.984 1.00 64.43 H new ATOM 0 HB VAL A 125 0.488 12.016 -5.385 1.00 22.43 H new ATOM 0 HG11 VAL A 125 -0.853 13.552 -6.785 1.00 70.35 H new ATOM 0 HG12 VAL A 125 -1.697 12.020 -6.457 1.00 70.35 H new ATOM 0 HG13 VAL A 125 -2.160 13.496 -5.578 1.00 70.35 H new ATOM 0 HG21 VAL A 125 0.799 14.480 -5.151 1.00 22.32 H new ATOM 0 HG22 VAL A 125 -0.367 14.488 -3.807 1.00 22.32 H new ATOM 0 HG23 VAL A 125 1.173 13.611 -3.644 1.00 22.32 H new ATOM 440 N HIS A 126 -3.360 11.936 -3.455 1.00 22.22 N ATOM 441 CA HIS A 126 -4.608 12.428 -2.833 1.00 64.51 C ATOM 442 C HIS A 126 -4.676 11.984 -1.357 1.00 72.01 C ATOM 443 O HIS A 126 -5.209 12.700 -0.499 1.00 4.43 O ATOM 444 CB HIS A 126 -5.854 11.952 -3.629 1.00 32.13 C ATOM 445 CG HIS A 126 -6.133 10.468 -3.576 1.00 71.11 C ATOM 446 ND1 HIS A 126 -5.245 9.552 -4.083 1.00 43.22 N ATOM 447 CD2 HIS A 126 -7.210 9.804 -3.080 1.00 64.02 C ATOM 448 CE1 HIS A 126 -5.794 8.369 -3.888 1.00 3.03 C ATOM 449 NE2 HIS A 126 -6.983 8.470 -3.284 1.00 60.41 N ATOM 0 H HIS A 126 -3.503 11.202 -4.149 1.00 22.22 H new ATOM 0 HA HIS A 126 -4.605 13.518 -2.861 1.00 64.51 H new ATOM 0 HB2 HIS A 126 -6.729 12.482 -3.252 1.00 32.13 H new ATOM 0 HB3 HIS A 126 -5.730 12.244 -4.672 1.00 32.13 H new ATOM 0 HD2 HIS A 126 -8.079 10.245 -2.614 1.00 64.02 H new ATOM 0 HE1 HIS A 126 -5.340 7.434 -4.180 1.00 3.03 H new ATOM 0 HE2 HIS A 126 -7.601 7.701 -3.025 1.00 60.41 H new ATOM 457 N GLU A 127 -4.113 10.794 -1.082 1.00 20.44 N ATOM 458 CA GLU A 127 -3.952 10.268 0.282 1.00 32.32 C ATOM 459 C GLU A 127 -2.724 10.884 0.970 1.00 1.14 C ATOM 460 O GLU A 127 -2.672 10.924 2.196 1.00 22.44 O ATOM 461 CB GLU A 127 -3.822 8.722 0.254 1.00 42.32 C ATOM 462 CG GLU A 127 -5.057 7.983 -0.293 1.00 60.00 C ATOM 463 CD GLU A 127 -6.325 8.229 0.544 1.00 12.31 C ATOM 464 OE1 GLU A 127 -6.465 7.609 1.622 1.00 51.12 O ATOM 465 OE2 GLU A 127 -7.183 9.047 0.142 1.00 64.41 O ATOM 0 H GLU A 127 -3.756 10.169 -1.804 1.00 20.44 H new ATOM 0 HA GLU A 127 -4.839 10.541 0.853 1.00 32.32 H new ATOM 0 HB2 GLU A 127 -2.957 8.455 -0.353 1.00 42.32 H new ATOM 0 HB3 GLU A 127 -3.623 8.369 1.266 1.00 42.32 H new ATOM 0 HG2 GLU A 127 -5.239 8.301 -1.320 1.00 60.00 H new ATOM 0 HG3 GLU A 127 -4.850 6.913 -0.323 1.00 60.00 H new ATOM 472 N LEU A 128 -1.737 11.345 0.169 1.00 35.11 N ATOM 473 CA LEU A 128 -0.486 11.934 0.689 1.00 72.41 C ATOM 474 C LEU A 128 -0.815 13.266 1.393 1.00 3.11 C ATOM 475 O LEU A 128 -1.214 14.248 0.752 1.00 63.03 O ATOM 476 CB LEU A 128 0.546 12.102 -0.482 1.00 52.13 C ATOM 477 CG LEU A 128 2.077 12.234 -0.134 1.00 51.43 C ATOM 478 CD1 LEU A 128 2.427 13.563 0.547 1.00 73.13 C ATOM 479 CD2 LEU A 128 2.577 11.036 0.700 1.00 2.22 C ATOM 0 H LEU A 128 -1.786 11.319 -0.849 1.00 35.11 H new ATOM 0 HA LEU A 128 -0.023 11.277 1.426 1.00 72.41 H new ATOM 0 HB2 LEU A 128 0.432 11.246 -1.147 1.00 52.13 H new ATOM 0 HB3 LEU A 128 0.259 12.987 -1.049 1.00 52.13 H new ATOM 0 HG LEU A 128 2.602 12.226 -1.089 1.00 51.43 H new ATOM 0 HD11 LEU A 128 3.495 13.592 0.761 1.00 73.13 H new ATOM 0 HD12 LEU A 128 2.166 14.390 -0.114 1.00 73.13 H new ATOM 0 HD13 LEU A 128 1.868 13.653 1.479 1.00 73.13 H new ATOM 0 HD21 LEU A 128 3.637 11.163 0.920 1.00 2.22 H new ATOM 0 HD22 LEU A 128 2.016 10.983 1.633 1.00 2.22 H new ATOM 0 HD23 LEU A 128 2.431 10.114 0.137 1.00 2.22 H new ATOM 491 N ARG A 129 -0.650 13.262 2.724 1.00 50.13 N ATOM 492 CA ARG A 129 -0.973 14.388 3.608 1.00 32.41 C ATOM 493 C ARG A 129 0.297 14.850 4.324 1.00 14.33 C ATOM 494 O ARG A 129 1.103 14.024 4.755 1.00 32.13 O ATOM 495 CB ARG A 129 -2.049 13.955 4.647 1.00 31.11 C ATOM 496 CG ARG A 129 -3.398 13.504 4.041 1.00 52.13 C ATOM 497 CD ARG A 129 -4.044 14.584 3.155 1.00 42.23 C ATOM 498 NE ARG A 129 -4.256 15.843 3.891 1.00 21.30 N ATOM 499 CZ ARG A 129 -4.674 16.995 3.355 1.00 13.51 C ATOM 500 NH1 ARG A 129 -4.949 17.091 2.058 1.00 44.53 N ATOM 501 NH2 ARG A 129 -4.794 18.061 4.124 1.00 60.15 N ATOM 0 H ARG A 129 -0.279 12.455 3.226 1.00 50.13 H new ATOM 0 HA ARG A 129 -1.372 15.212 3.017 1.00 32.41 H new ATOM 0 HB2 ARG A 129 -1.646 13.139 5.246 1.00 31.11 H new ATOM 0 HB3 ARG A 129 -2.233 14.788 5.326 1.00 31.11 H new ATOM 0 HG2 ARG A 129 -3.242 12.601 3.450 1.00 52.13 H new ATOM 0 HG3 ARG A 129 -4.084 13.243 4.847 1.00 52.13 H new ATOM 0 HD2 ARG A 129 -3.408 14.772 2.290 1.00 42.23 H new ATOM 0 HD3 ARG A 129 -4.999 14.220 2.776 1.00 42.23 H new ATOM 0 HE ARG A 129 -4.068 15.835 4.894 1.00 21.30 H new ATOM 0 HH11 ARG A 129 -4.842 16.277 1.452 1.00 44.53 H new ATOM 0 HH12 ARG A 129 -5.267 17.979 1.668 1.00 44.53 H new ATOM 0 HH21 ARG A 129 -4.569 18.001 5.117 1.00 60.15 H new ATOM 0 HH22 ARG A 129 -5.112 18.944 3.725 1.00 60.15 H new ATOM 515 N LEU A 130 0.472 16.173 4.436 1.00 24.22 N ATOM 516 CA LEU A 130 1.632 16.779 5.117 1.00 45.00 C ATOM 517 C LEU A 130 1.464 16.721 6.665 1.00 31.42 C ATOM 518 O LEU A 130 0.331 16.747 7.160 1.00 44.21 O ATOM 519 CB LEU A 130 1.884 18.227 4.564 1.00 44.31 C ATOM 520 CG LEU A 130 0.665 19.223 4.449 1.00 41.21 C ATOM 521 CD1 LEU A 130 0.204 19.776 5.816 1.00 32.30 C ATOM 522 CD2 LEU A 130 0.991 20.379 3.469 1.00 14.44 C ATOM 0 H LEU A 130 -0.184 16.856 4.058 1.00 24.22 H new ATOM 0 HA LEU A 130 2.529 16.200 4.897 1.00 45.00 H new ATOM 0 HB2 LEU A 130 2.634 18.697 5.200 1.00 44.31 H new ATOM 0 HB3 LEU A 130 2.324 18.129 3.572 1.00 44.31 H new ATOM 0 HG LEU A 130 -0.170 18.646 4.052 1.00 41.21 H new ATOM 0 HD11 LEU A 130 -0.636 20.454 5.669 1.00 32.30 H new ATOM 0 HD12 LEU A 130 -0.104 18.950 6.457 1.00 32.30 H new ATOM 0 HD13 LEU A 130 1.027 20.314 6.287 1.00 32.30 H new ATOM 0 HD21 LEU A 130 0.137 21.053 3.405 1.00 14.44 H new ATOM 0 HD22 LEU A 130 1.861 20.928 3.830 1.00 14.44 H new ATOM 0 HD23 LEU A 130 1.205 19.970 2.482 1.00 14.44 H new ATOM 534 N PRO A 131 2.594 16.635 7.457 1.00 2.23 N ATOM 535 CA PRO A 131 2.549 16.546 8.943 1.00 2.55 C ATOM 536 C PRO A 131 2.418 17.943 9.602 1.00 13.21 C ATOM 537 O PRO A 131 3.170 18.282 10.530 1.00 32.10 O ATOM 538 CB PRO A 131 3.908 15.864 9.257 1.00 20.11 C ATOM 539 CG PRO A 131 4.847 16.399 8.214 1.00 60.31 C ATOM 540 CD PRO A 131 4.006 16.604 6.960 1.00 60.20 C ATOM 0 HA PRO A 131 1.689 16.000 9.331 1.00 2.55 H new ATOM 0 HB2 PRO A 131 4.251 16.107 10.262 1.00 20.11 H new ATOM 0 HB3 PRO A 131 3.830 14.778 9.201 1.00 20.11 H new ATOM 0 HG2 PRO A 131 5.298 17.336 8.539 1.00 60.31 H new ATOM 0 HG3 PRO A 131 5.662 15.700 8.027 1.00 60.31 H new ATOM 0 HD2 PRO A 131 4.269 17.532 6.453 1.00 60.20 H new ATOM 0 HD3 PRO A 131 4.157 15.796 6.244 1.00 60.20 H new ATOM 548 N MET A 132 1.424 18.724 9.113 1.00 13.54 N ATOM 549 CA MET A 132 1.195 20.145 9.489 1.00 51.31 C ATOM 550 C MET A 132 2.414 21.025 9.130 1.00 61.30 C ATOM 551 O MET A 132 2.626 22.096 9.704 1.00 23.01 O ATOM 552 CB MET A 132 0.789 20.276 10.987 1.00 60.34 C ATOM 553 CG MET A 132 -0.501 19.527 11.396 1.00 63.20 C ATOM 554 SD MET A 132 -2.008 20.152 10.593 1.00 63.25 S ATOM 555 CE MET A 132 -2.125 19.171 9.090 1.00 10.22 C ATOM 0 H MET A 132 0.745 18.380 8.434 1.00 13.54 H new ATOM 0 HA MET A 132 0.355 20.517 8.902 1.00 51.31 H new ATOM 0 HB2 MET A 132 1.611 19.909 11.601 1.00 60.34 H new ATOM 0 HB3 MET A 132 0.664 21.333 11.220 1.00 60.34 H new ATOM 0 HG2 MET A 132 -0.386 18.470 11.156 1.00 63.20 H new ATOM 0 HG3 MET A 132 -0.622 19.597 12.477 1.00 63.20 H new ATOM 0 HE1 MET A 132 -2.042 19.824 8.222 1.00 10.22 H new ATOM 0 HE2 MET A 132 -1.319 18.437 9.071 1.00 10.22 H new ATOM 0 HE3 MET A 132 -3.085 18.656 9.066 1.00 10.22 H new ATOM 565 N ASN A 133 3.172 20.571 8.119 1.00 74.13 N ATOM 566 CA ASN A 133 4.380 21.241 7.618 1.00 75.12 C ATOM 567 C ASN A 133 4.273 21.333 6.084 1.00 53.10 C ATOM 568 O ASN A 133 4.167 20.284 5.439 1.00 72.11 O ATOM 569 CB ASN A 133 5.660 20.436 8.012 1.00 21.41 C ATOM 570 CG ASN A 133 5.915 20.309 9.520 1.00 33.33 C ATOM 571 OD1 ASN A 133 6.399 19.277 9.987 1.00 11.04 O ATOM 572 ND2 ASN A 133 5.630 21.352 10.291 1.00 5.21 N ATOM 0 H ASN A 133 2.956 19.709 7.617 1.00 74.13 H new ATOM 0 HA ASN A 133 4.459 22.235 8.057 1.00 75.12 H new ATOM 0 HB2 ASN A 133 5.585 19.435 7.587 1.00 21.41 H new ATOM 0 HB3 ASN A 133 6.525 20.913 7.553 1.00 21.41 H new ATOM 0 HD21 ASN A 133 5.811 21.310 11.294 1.00 5.21 H new ATOM 0 HD22 ASN A 133 5.230 22.196 9.880 1.00 5.21 H new ATOM 579 N PRO A 134 4.245 22.573 5.480 1.00 64.50 N ATOM 580 CA PRO A 134 4.294 22.767 4.001 1.00 60.31 C ATOM 581 C PRO A 134 5.416 21.936 3.326 1.00 62.00 C ATOM 582 O PRO A 134 6.602 22.108 3.648 1.00 51.32 O ATOM 583 CB PRO A 134 4.549 24.287 3.862 1.00 41.00 C ATOM 584 CG PRO A 134 3.897 24.883 5.070 1.00 74.01 C ATOM 585 CD PRO A 134 4.121 23.880 6.187 1.00 2.22 C ATOM 0 HA PRO A 134 3.384 22.430 3.505 1.00 60.31 H new ATOM 0 HB2 PRO A 134 5.615 24.511 3.834 1.00 41.00 H new ATOM 0 HB3 PRO A 134 4.117 24.680 2.942 1.00 41.00 H new ATOM 0 HG2 PRO A 134 4.336 25.850 5.316 1.00 74.01 H new ATOM 0 HG3 PRO A 134 2.833 25.050 4.900 1.00 74.01 H new ATOM 0 HD2 PRO A 134 5.021 24.112 6.757 1.00 2.22 H new ATOM 0 HD3 PRO A 134 3.289 23.875 6.892 1.00 2.22 H new ATOM 593 N ARG A 135 5.010 21.028 2.418 1.00 61.00 N ATOM 594 CA ARG A 135 5.899 20.030 1.801 1.00 43.44 C ATOM 595 C ARG A 135 6.973 20.703 0.916 1.00 72.25 C ATOM 596 O ARG A 135 6.646 21.377 -0.073 1.00 55.03 O ATOM 597 CB ARG A 135 5.059 19.013 0.975 1.00 61.13 C ATOM 598 CG ARG A 135 5.879 17.848 0.374 1.00 62.23 C ATOM 599 CD ARG A 135 5.015 16.826 -0.389 1.00 5.21 C ATOM 600 NE ARG A 135 5.821 15.709 -0.917 1.00 2.34 N ATOM 601 CZ ARG A 135 5.367 14.727 -1.716 1.00 54.41 C ATOM 602 NH1 ARG A 135 4.095 14.687 -2.106 1.00 40.14 N ATOM 603 NH2 ARG A 135 6.199 13.781 -2.118 1.00 14.23 N ATOM 0 H ARG A 135 4.046 20.968 2.090 1.00 61.00 H new ATOM 0 HA ARG A 135 6.420 19.496 2.595 1.00 43.44 H new ATOM 0 HB2 ARG A 135 4.279 18.600 1.615 1.00 61.13 H new ATOM 0 HB3 ARG A 135 4.559 19.545 0.166 1.00 61.13 H new ATOM 0 HG2 ARG A 135 6.632 18.253 -0.302 1.00 62.23 H new ATOM 0 HG3 ARG A 135 6.412 17.337 1.175 1.00 62.23 H new ATOM 0 HD2 ARG A 135 4.244 16.435 0.275 1.00 5.21 H new ATOM 0 HD3 ARG A 135 4.504 17.325 -1.212 1.00 5.21 H new ATOM 0 HE ARG A 135 6.806 15.679 -0.654 1.00 2.34 H new ATOM 0 HH11 ARG A 135 3.444 15.410 -1.799 1.00 40.14 H new ATOM 0 HH12 ARG A 135 3.771 13.933 -2.712 1.00 40.14 H new ATOM 0 HH21 ARG A 135 7.175 13.801 -1.822 1.00 14.23 H new ATOM 0 HH22 ARG A 135 5.865 13.032 -2.724 1.00 14.23 H new ATOM 617 N GLY A 136 8.248 20.538 1.320 1.00 54.25 N ATOM 618 CA GLY A 136 9.402 21.053 0.582 1.00 23.01 C ATOM 619 C GLY A 136 9.784 22.460 1.014 1.00 31.13 C ATOM 620 O GLY A 136 10.847 22.673 1.616 1.00 33.44 O ATOM 0 H GLY A 136 8.500 20.040 2.174 1.00 54.25 H new ATOM 0 HA2 GLY A 136 10.252 20.387 0.730 1.00 23.01 H new ATOM 0 HA3 GLY A 136 9.178 21.051 -0.485 1.00 23.01 H new ATOM 624 N ARG A 137 8.891 23.422 0.728 1.00 70.01 N ATOM 625 CA ARG A 137 9.137 24.845 0.994 1.00 14.02 C ATOM 626 C ARG A 137 8.959 25.163 2.489 1.00 51.11 C ATOM 627 O ARG A 137 7.841 25.120 3.020 1.00 51.10 O ATOM 628 CB ARG A 137 8.200 25.736 0.135 1.00 3.13 C ATOM 629 CG ARG A 137 8.425 27.257 0.324 1.00 3.33 C ATOM 630 CD ARG A 137 7.502 28.117 -0.551 1.00 44.45 C ATOM 631 NE ARG A 137 7.744 29.563 -0.359 1.00 61.31 N ATOM 632 CZ ARG A 137 7.442 30.522 -1.251 1.00 54.32 C ATOM 633 NH1 ARG A 137 6.872 30.216 -2.415 1.00 10.35 N ATOM 634 NH2 ARG A 137 7.724 31.788 -0.978 1.00 71.15 N ATOM 0 H ARG A 137 7.981 23.234 0.307 1.00 70.01 H new ATOM 0 HA ARG A 137 10.169 25.064 0.718 1.00 14.02 H new ATOM 0 HB2 ARG A 137 8.342 25.486 -0.916 1.00 3.13 H new ATOM 0 HB3 ARG A 137 7.165 25.499 0.381 1.00 3.13 H new ATOM 0 HG2 ARG A 137 8.266 27.514 1.371 1.00 3.33 H new ATOM 0 HG3 ARG A 137 9.463 27.496 0.091 1.00 3.33 H new ATOM 0 HD2 ARG A 137 7.654 27.860 -1.599 1.00 44.45 H new ATOM 0 HD3 ARG A 137 6.463 27.889 -0.314 1.00 44.45 H new ATOM 0 HE ARG A 137 8.174 29.855 0.519 1.00 61.31 H new ATOM 0 HH11 ARG A 137 6.659 29.244 -2.639 1.00 10.35 H new ATOM 0 HH12 ARG A 137 6.648 30.954 -3.083 1.00 10.35 H new ATOM 0 HH21 ARG A 137 8.169 32.032 -0.093 1.00 71.15 H new ATOM 0 HH22 ARG A 137 7.496 32.518 -1.653 1.00 71.15 H new ATOM 648 N ASN A 138 10.084 25.435 3.165 1.00 51.44 N ATOM 649 CA ASN A 138 10.094 25.974 4.530 1.00 55.03 C ATOM 650 C ASN A 138 10.032 27.504 4.427 1.00 54.23 C ATOM 651 O ASN A 138 9.021 28.118 4.785 1.00 62.12 O ATOM 652 CB ASN A 138 11.355 25.505 5.318 1.00 22.50 C ATOM 653 CG ASN A 138 11.401 23.997 5.619 1.00 4.42 C ATOM 654 OD1 ASN A 138 10.956 23.148 4.691 1.00 74.05 O flip ATOM 655 ND2 ASN A 138 11.873 23.589 6.681 1.00 24.04 N flip ATOM 0 H ASN A 138 11.016 25.286 2.778 1.00 51.44 H new ATOM 0 HA ASN A 138 9.233 25.602 5.086 1.00 55.03 H new ATOM 0 HB2 ASN A 138 12.244 25.775 4.748 1.00 22.50 H new ATOM 0 HB3 ASN A 138 11.402 26.051 6.260 1.00 22.50 H new ATOM 0 HD21 ASN A 138 12.208 24.253 7.379 1.00 24.04 H new ATOM 0 HD22 ASN A 138 11.929 22.587 6.863 1.00 24.04 H new ATOM 662 N HIS A 139 11.116 28.086 3.881 1.00 50.21 N ATOM 663 CA HIS A 139 11.227 29.524 3.558 1.00 12.51 C ATOM 664 C HIS A 139 12.535 29.750 2.765 1.00 54.32 C ATOM 665 O HIS A 139 13.519 29.037 3.005 1.00 31.44 O ATOM 666 CB HIS A 139 11.176 30.429 4.834 1.00 63.15 C ATOM 667 CG HIS A 139 12.332 30.282 5.801 1.00 20.25 C ATOM 668 ND1 HIS A 139 13.165 31.338 6.089 1.00 24.42 N ATOM 669 CD2 HIS A 139 12.719 29.207 6.537 1.00 73.21 C ATOM 670 CE1 HIS A 139 14.027 30.890 6.981 1.00 22.22 C ATOM 671 NE2 HIS A 139 13.795 29.607 7.283 1.00 70.44 N ATOM 0 H HIS A 139 11.958 27.560 3.646 1.00 50.21 H new ATOM 0 HA HIS A 139 10.368 29.813 2.952 1.00 12.51 H new ATOM 0 HB2 HIS A 139 11.126 31.470 4.515 1.00 63.15 H new ATOM 0 HB3 HIS A 139 10.251 30.215 5.370 1.00 63.15 H new ATOM 0 HD2 HIS A 139 12.265 28.227 6.534 1.00 73.21 H new ATOM 0 HE1 HIS A 139 14.819 31.483 7.413 1.00 22.22 H new ATOM 0 HE2 HIS A 139 14.321 29.035 7.944 1.00 70.44 H new ATOM 679 N PRO A 140 12.577 30.727 1.797 1.00 61.15 N ATOM 680 CA PRO A 140 13.796 31.019 0.987 1.00 51.42 C ATOM 681 C PRO A 140 14.806 31.912 1.749 1.00 64.23 C ATOM 682 O PRO A 140 15.297 32.918 1.210 1.00 23.40 O ATOM 683 CB PRO A 140 13.193 31.732 -0.249 1.00 34.40 C ATOM 684 CG PRO A 140 12.013 32.485 0.295 1.00 4.03 C ATOM 685 CD PRO A 140 11.439 31.612 1.397 1.00 34.10 C ATOM 0 HA PRO A 140 14.379 30.133 0.737 1.00 51.42 H new ATOM 0 HB2 PRO A 140 13.915 32.405 -0.712 1.00 34.40 H new ATOM 0 HB3 PRO A 140 12.890 31.016 -1.013 1.00 34.40 H new ATOM 0 HG2 PRO A 140 12.315 33.458 0.684 1.00 4.03 H new ATOM 0 HG3 PRO A 140 11.273 32.669 -0.484 1.00 4.03 H new ATOM 0 HD2 PRO A 140 11.087 32.211 2.237 1.00 34.10 H new ATOM 0 HD3 PRO A 140 10.588 31.030 1.042 1.00 34.10 H new ATOM 693 N LYS A 141 15.141 31.482 2.991 1.00 63.40 N ATOM 694 CA LYS A 141 15.929 32.259 3.965 1.00 63.01 C ATOM 695 C LYS A 141 15.259 33.623 4.224 1.00 11.51 C ATOM 696 O LYS A 141 15.912 34.669 4.217 1.00 41.22 O ATOM 697 CB LYS A 141 17.418 32.399 3.523 1.00 61.03 C ATOM 698 CG LYS A 141 18.147 31.049 3.311 1.00 11.42 C ATOM 699 CD LYS A 141 19.641 31.211 2.944 1.00 14.52 C ATOM 700 CE LYS A 141 20.462 31.884 4.060 1.00 75.35 C ATOM 701 NZ LYS A 141 21.906 31.973 3.717 1.00 72.22 N ATOM 0 H LYS A 141 14.863 30.567 3.345 1.00 63.40 H new ATOM 0 HA LYS A 141 15.946 31.715 4.909 1.00 63.01 H new ATOM 0 HB2 LYS A 141 17.458 32.970 2.595 1.00 61.03 H new ATOM 0 HB3 LYS A 141 17.956 32.975 4.276 1.00 61.03 H new ATOM 0 HG2 LYS A 141 18.066 30.454 4.220 1.00 11.42 H new ATOM 0 HG3 LYS A 141 17.644 30.493 2.520 1.00 11.42 H new ATOM 0 HD2 LYS A 141 20.065 30.230 2.728 1.00 14.52 H new ATOM 0 HD3 LYS A 141 19.724 31.802 2.032 1.00 14.52 H new ATOM 0 HE2 LYS A 141 20.071 32.885 4.243 1.00 75.35 H new ATOM 0 HE3 LYS A 141 20.344 31.321 4.986 1.00 75.35 H new ATOM 0 HZ1 LYS A 141 22.420 32.432 4.496 1.00 72.22 H new ATOM 0 HZ2 LYS A 141 22.287 31.017 3.567 1.00 72.22 H new ATOM 0 HZ3 LYS A 141 22.023 32.532 2.848 1.00 72.22 H new ATOM 715 N TYR A 142 13.928 33.571 4.428 1.00 21.41 N ATOM 716 CA TYR A 142 13.091 34.744 4.713 1.00 35.53 C ATOM 717 C TYR A 142 13.473 35.358 6.077 1.00 44.35 C ATOM 718 O TYR A 142 13.721 36.566 6.183 1.00 13.24 O ATOM 719 CB TYR A 142 11.593 34.333 4.684 1.00 14.13 C ATOM 720 CG TYR A 142 10.605 35.469 5.013 1.00 72.45 C ATOM 721 CD1 TYR A 142 10.104 35.644 6.310 1.00 3.51 C ATOM 722 CD2 TYR A 142 10.186 36.370 4.033 1.00 52.52 C ATOM 723 CE1 TYR A 142 9.231 36.664 6.609 1.00 33.21 C ATOM 724 CE2 TYR A 142 9.307 37.395 4.333 1.00 54.04 C ATOM 725 CZ TYR A 142 8.835 37.540 5.621 1.00 23.33 C ATOM 726 OH TYR A 142 7.961 38.564 5.923 1.00 64.10 O ATOM 0 H TYR A 142 13.400 32.699 4.398 1.00 21.41 H new ATOM 0 HA TYR A 142 13.259 35.502 3.948 1.00 35.53 H new ATOM 0 HB2 TYR A 142 11.357 33.941 3.695 1.00 14.13 H new ATOM 0 HB3 TYR A 142 11.440 33.520 5.394 1.00 14.13 H new ATOM 0 HD1 TYR A 142 10.410 34.964 7.091 1.00 3.51 H new ATOM 0 HD2 TYR A 142 10.554 36.265 3.023 1.00 52.52 H new ATOM 0 HE1 TYR A 142 8.857 36.778 7.616 1.00 33.21 H new ATOM 0 HE2 TYR A 142 8.991 38.080 3.560 1.00 54.04 H new ATOM 0 HH TYR A 142 7.784 39.091 5.116 1.00 64.10 H new ATOM 736 N LYS A 143 13.499 34.502 7.111 1.00 20.11 N ATOM 737 CA LYS A 143 13.895 34.901 8.468 1.00 43.14 C ATOM 738 C LYS A 143 15.433 34.925 8.560 1.00 10.33 C ATOM 739 O LYS A 143 16.082 33.875 8.521 1.00 24.32 O ATOM 740 CB LYS A 143 13.261 33.949 9.521 1.00 2.21 C ATOM 741 CG LYS A 143 11.710 33.954 9.520 1.00 33.32 C ATOM 742 CD LYS A 143 11.100 33.233 10.744 1.00 40.20 C ATOM 743 CE LYS A 143 9.568 33.378 10.819 1.00 42.51 C ATOM 744 NZ LYS A 143 8.876 32.718 9.681 1.00 43.52 N ATOM 0 H LYS A 143 13.247 33.517 7.029 1.00 20.11 H new ATOM 0 HA LYS A 143 13.525 35.903 8.684 1.00 43.14 H new ATOM 0 HB2 LYS A 143 13.611 32.934 9.336 1.00 2.21 H new ATOM 0 HB3 LYS A 143 13.615 34.232 10.512 1.00 2.21 H new ATOM 0 HG2 LYS A 143 11.356 34.985 9.499 1.00 33.32 H new ATOM 0 HG3 LYS A 143 11.352 33.476 8.608 1.00 33.32 H new ATOM 0 HD2 LYS A 143 11.359 32.175 10.703 1.00 40.20 H new ATOM 0 HD3 LYS A 143 11.544 33.635 11.655 1.00 40.20 H new ATOM 0 HE2 LYS A 143 9.211 32.948 11.755 1.00 42.51 H new ATOM 0 HE3 LYS A 143 9.307 34.436 10.834 1.00 42.51 H new ATOM 0 HZ1 LYS A 143 7.848 32.845 9.779 1.00 43.52 H new ATOM 0 HZ2 LYS A 143 9.194 33.144 8.787 1.00 43.52 H new ATOM 0 HZ3 LYS A 143 9.101 31.703 9.680 1.00 43.52 H new ATOM 758 N THR A 144 16.001 36.143 8.641 1.00 63.44 N ATOM 759 CA THR A 144 17.452 36.384 8.549 1.00 73.24 C ATOM 760 C THR A 144 18.015 36.903 9.889 1.00 53.02 C ATOM 761 O THR A 144 18.953 36.322 10.449 1.00 65.43 O ATOM 762 CB THR A 144 17.746 37.414 7.400 1.00 53.12 C ATOM 763 OG1 THR A 144 17.042 38.648 7.648 1.00 62.54 O ATOM 764 CG2 THR A 144 17.322 36.874 6.021 1.00 54.30 C ATOM 0 H THR A 144 15.458 36.996 8.774 1.00 63.44 H new ATOM 0 HA THR A 144 17.945 35.439 8.322 1.00 73.24 H new ATOM 0 HB THR A 144 18.823 37.585 7.391 1.00 53.12 H new ATOM 0 HG1 THR A 144 17.233 39.284 6.927 1.00 62.54 H new ATOM 0 HG21 THR A 144 17.543 37.618 5.255 1.00 54.30 H new ATOM 0 HG22 THR A 144 17.870 35.957 5.805 1.00 54.30 H new ATOM 0 HG23 THR A 144 16.252 36.665 6.025 1.00 54.30 H new ATOM 772 N VAL A 145 17.424 38.000 10.389 1.00 74.42 N ATOM 773 CA VAL A 145 17.864 38.684 11.626 1.00 60.54 C ATOM 774 C VAL A 145 17.064 38.147 12.832 1.00 12.43 C ATOM 775 O VAL A 145 15.904 37.765 12.677 1.00 73.04 O ATOM 776 CB VAL A 145 17.672 40.249 11.486 1.00 64.13 C ATOM 777 CG1 VAL A 145 18.149 41.020 12.747 1.00 43.41 C ATOM 778 CG2 VAL A 145 18.381 40.781 10.211 1.00 12.14 C ATOM 0 H VAL A 145 16.620 38.445 9.946 1.00 74.42 H new ATOM 0 HA VAL A 145 18.923 38.482 11.787 1.00 60.54 H new ATOM 0 HB VAL A 145 16.601 40.430 11.390 1.00 64.13 H new ATOM 0 HG11 VAL A 145 17.996 42.089 12.600 1.00 43.41 H new ATOM 0 HG12 VAL A 145 17.578 40.688 13.614 1.00 43.41 H new ATOM 0 HG13 VAL A 145 19.208 40.825 12.914 1.00 43.41 H new ATOM 0 HG21 VAL A 145 18.235 41.859 10.136 1.00 12.14 H new ATOM 0 HG22 VAL A 145 19.447 40.562 10.270 1.00 12.14 H new ATOM 0 HG23 VAL A 145 17.959 40.296 9.331 1.00 12.14 H new ATOM 788 N LEU A 146 17.707 38.109 14.018 1.00 63.12 N ATOM 789 CA LEU A 146 17.062 37.691 15.283 1.00 72.45 C ATOM 790 C LEU A 146 16.034 38.742 15.751 1.00 44.04 C ATOM 791 O LEU A 146 16.166 39.934 15.446 1.00 22.02 O ATOM 792 CB LEU A 146 18.133 37.470 16.388 1.00 64.24 C ATOM 793 CG LEU A 146 19.198 36.365 16.099 1.00 61.43 C ATOM 794 CD1 LEU A 146 20.230 36.259 17.243 1.00 51.41 C ATOM 795 CD2 LEU A 146 18.525 35.002 15.826 1.00 42.14 C ATOM 0 H LEU A 146 18.688 38.367 14.127 1.00 63.12 H new ATOM 0 HA LEU A 146 16.538 36.753 15.101 1.00 72.45 H new ATOM 0 HB2 LEU A 146 18.653 38.413 16.555 1.00 64.24 H new ATOM 0 HB3 LEU A 146 17.621 37.219 17.317 1.00 64.24 H new ATOM 0 HG LEU A 146 19.738 36.658 15.199 1.00 61.43 H new ATOM 0 HD11 LEU A 146 20.955 35.480 17.008 1.00 51.41 H new ATOM 0 HD12 LEU A 146 20.746 37.213 17.357 1.00 51.41 H new ATOM 0 HD13 LEU A 146 19.718 36.009 18.173 1.00 51.41 H new ATOM 0 HD21 LEU A 146 19.290 34.252 15.628 1.00 42.14 H new ATOM 0 HD22 LEU A 146 17.941 34.704 16.697 1.00 42.14 H new ATOM 0 HD23 LEU A 146 17.868 35.087 14.960 1.00 42.14 H new ATOM 807 N CYS A 147 15.017 38.281 16.499 1.00 73.23 N ATOM 808 CA CYS A 147 13.948 39.143 17.023 1.00 3.50 C ATOM 809 C CYS A 147 14.407 39.779 18.344 1.00 2.24 C ATOM 810 O CYS A 147 14.607 39.071 19.347 1.00 4.53 O ATOM 811 CB CYS A 147 12.673 38.291 17.216 1.00 0.11 C ATOM 812 SG CYS A 147 11.133 39.205 17.573 1.00 22.20 S ATOM 0 H CYS A 147 14.915 37.299 16.757 1.00 73.23 H new ATOM 0 HA CYS A 147 13.724 39.949 16.324 1.00 3.50 H new ATOM 0 HB2 CYS A 147 12.518 37.699 16.314 1.00 0.11 H new ATOM 0 HB3 CYS A 147 12.851 37.589 18.031 1.00 0.11 H new ATOM 817 N ASP A 148 14.570 41.115 18.330 1.00 35.01 N ATOM 818 CA ASP A 148 15.030 41.886 19.498 1.00 44.21 C ATOM 819 C ASP A 148 13.932 41.930 20.558 1.00 3.05 C ATOM 820 O ASP A 148 14.198 41.753 21.739 1.00 12.31 O ATOM 821 CB ASP A 148 15.432 43.331 19.103 1.00 4.12 C ATOM 822 CG ASP A 148 16.577 43.390 18.082 1.00 34.35 C ATOM 823 OD1 ASP A 148 16.333 43.749 16.907 1.00 1.53 O ATOM 824 OD2 ASP A 148 17.732 43.085 18.449 1.00 53.32 O ATOM 0 H ASP A 148 14.386 41.690 17.508 1.00 35.01 H new ATOM 0 HA ASP A 148 15.911 41.387 19.901 1.00 44.21 H new ATOM 0 HB2 ASP A 148 14.562 43.842 18.691 1.00 4.12 H new ATOM 0 HB3 ASP A 148 15.727 43.876 20.000 1.00 4.12 H new ATOM 829 N LYS A 149 12.686 42.138 20.103 1.00 62.05 N ATOM 830 CA LYS A 149 11.509 42.254 20.988 1.00 51.54 C ATOM 831 C LYS A 149 11.263 40.951 21.770 1.00 44.32 C ATOM 832 O LYS A 149 10.813 40.987 22.917 1.00 74.20 O ATOM 833 CB LYS A 149 10.254 42.645 20.161 1.00 15.10 C ATOM 834 CG LYS A 149 10.381 43.985 19.391 1.00 3.22 C ATOM 835 CD LYS A 149 10.692 45.196 20.308 1.00 13.34 C ATOM 836 CE LYS A 149 9.583 45.487 21.336 1.00 43.30 C ATOM 837 NZ LYS A 149 8.291 45.855 20.693 1.00 42.14 N ATOM 0 H LYS A 149 12.463 42.231 19.112 1.00 62.05 H new ATOM 0 HA LYS A 149 11.709 43.040 21.716 1.00 51.54 H new ATOM 0 HB2 LYS A 149 10.043 41.849 19.447 1.00 15.10 H new ATOM 0 HB3 LYS A 149 9.397 42.706 20.832 1.00 15.10 H new ATOM 0 HG2 LYS A 149 11.169 43.893 18.644 1.00 3.22 H new ATOM 0 HG3 LYS A 149 9.452 44.175 18.853 1.00 3.22 H new ATOM 0 HD2 LYS A 149 11.627 45.011 20.836 1.00 13.34 H new ATOM 0 HD3 LYS A 149 10.845 46.080 19.690 1.00 13.34 H new ATOM 0 HE2 LYS A 149 9.435 44.609 21.964 1.00 43.30 H new ATOM 0 HE3 LYS A 149 9.903 46.297 21.991 1.00 43.30 H new ATOM 0 HZ1 LYS A 149 7.598 46.107 21.426 1.00 42.14 H new ATOM 0 HZ2 LYS A 149 8.437 46.668 20.061 1.00 42.14 H new ATOM 0 HZ3 LYS A 149 7.935 45.048 20.142 1.00 42.14 H new ATOM 851 N PHE A 150 11.594 39.812 21.137 1.00 75.42 N ATOM 852 CA PHE A 150 11.475 38.483 21.752 1.00 43.33 C ATOM 853 C PHE A 150 12.488 38.335 22.903 1.00 30.22 C ATOM 854 O PHE A 150 12.125 37.967 24.019 1.00 43.22 O ATOM 855 CB PHE A 150 11.692 37.384 20.676 1.00 25.51 C ATOM 856 CG PHE A 150 11.434 35.948 21.151 1.00 0.25 C ATOM 857 CD1 PHE A 150 12.463 35.161 21.668 1.00 72.43 C ATOM 858 CD2 PHE A 150 10.158 35.388 21.083 1.00 25.30 C ATOM 859 CE1 PHE A 150 12.222 33.876 22.097 1.00 54.15 C ATOM 860 CE2 PHE A 150 9.919 34.099 21.512 1.00 75.43 C ATOM 861 CZ PHE A 150 10.951 33.341 22.019 1.00 63.33 C ATOM 0 H PHE A 150 11.952 39.790 20.182 1.00 75.42 H new ATOM 0 HA PHE A 150 10.474 38.368 22.167 1.00 43.33 H new ATOM 0 HB2 PHE A 150 11.039 37.593 19.829 1.00 25.51 H new ATOM 0 HB3 PHE A 150 12.717 37.451 20.312 1.00 25.51 H new ATOM 0 HD1 PHE A 150 13.462 35.566 21.732 1.00 72.43 H new ATOM 0 HD2 PHE A 150 9.342 35.975 20.687 1.00 25.30 H new ATOM 0 HE1 PHE A 150 13.031 33.283 22.497 1.00 54.15 H new ATOM 0 HE2 PHE A 150 8.924 33.685 21.450 1.00 75.43 H new ATOM 0 HZ PHE A 150 10.767 32.331 22.355 1.00 63.33 H new ATOM 871 N SER A 151 13.756 38.662 22.615 1.00 33.01 N ATOM 872 CA SER A 151 14.878 38.441 23.543 1.00 33.31 C ATOM 873 C SER A 151 14.882 39.455 24.717 1.00 21.13 C ATOM 874 O SER A 151 15.241 39.095 25.844 1.00 22.25 O ATOM 875 CB SER A 151 16.206 38.496 22.752 1.00 25.01 C ATOM 876 OG SER A 151 16.288 39.674 21.969 1.00 23.31 O ATOM 0 H SER A 151 14.034 39.088 21.731 1.00 33.01 H new ATOM 0 HA SER A 151 14.761 37.456 23.995 1.00 33.31 H new ATOM 0 HB2 SER A 151 17.047 38.457 23.445 1.00 25.01 H new ATOM 0 HB3 SER A 151 16.284 37.621 22.107 1.00 25.01 H new ATOM 0 HG SER A 151 15.538 40.266 22.189 1.00 23.31 H new ATOM 882 N MET A 152 14.459 40.708 24.450 1.00 63.24 N ATOM 883 CA MET A 152 14.515 41.809 25.446 1.00 60.15 C ATOM 884 C MET A 152 13.411 41.690 26.512 1.00 55.25 C ATOM 885 O MET A 152 13.664 41.955 27.695 1.00 2.40 O ATOM 886 CB MET A 152 14.438 43.204 24.760 1.00 25.30 C ATOM 887 CG MET A 152 15.667 43.577 23.913 1.00 73.21 C ATOM 888 SD MET A 152 15.609 45.276 23.289 1.00 50.01 S ATOM 889 CE MET A 152 14.115 45.271 22.293 1.00 41.33 C ATOM 0 H MET A 152 14.072 40.988 23.549 1.00 63.24 H new ATOM 0 HA MET A 152 15.478 41.716 25.947 1.00 60.15 H new ATOM 0 HB2 MET A 152 13.554 43.231 24.123 1.00 25.30 H new ATOM 0 HB3 MET A 152 14.300 43.964 25.529 1.00 25.30 H new ATOM 0 HG2 MET A 152 16.568 43.447 24.513 1.00 73.21 H new ATOM 0 HG3 MET A 152 15.743 42.889 23.071 1.00 73.21 H new ATOM 0 HE1 MET A 152 14.310 45.768 21.343 1.00 41.33 H new ATOM 0 HE2 MET A 152 13.805 44.243 22.108 1.00 41.33 H new ATOM 0 HE3 MET A 152 13.322 45.799 22.823 1.00 41.33 H new ATOM 899 N THR A 153 12.192 41.294 26.099 1.00 71.43 N ATOM 900 CA THR A 153 11.029 41.249 27.014 1.00 71.23 C ATOM 901 C THR A 153 10.831 39.828 27.571 1.00 13.55 C ATOM 902 O THR A 153 10.570 39.647 28.766 1.00 11.23 O ATOM 903 CB THR A 153 9.717 41.714 26.296 1.00 34.34 C ATOM 904 OG1 THR A 153 9.347 40.764 25.280 1.00 64.51 O ATOM 905 CG2 THR A 153 9.869 43.113 25.664 1.00 62.54 C ATOM 0 H THR A 153 11.985 41.002 25.144 1.00 71.43 H new ATOM 0 HA THR A 153 11.237 41.934 27.836 1.00 71.23 H new ATOM 0 HB THR A 153 8.935 41.772 27.053 1.00 34.34 H new ATOM 0 HG1 THR A 153 9.901 40.904 24.484 1.00 64.51 H new ATOM 0 HG21 THR A 153 8.936 43.396 25.177 1.00 62.54 H new ATOM 0 HG22 THR A 153 10.107 43.839 26.441 1.00 62.54 H new ATOM 0 HG23 THR A 153 10.672 43.094 24.927 1.00 62.54 H new ATOM 913 N GLY A 154 10.969 38.827 26.685 1.00 61.51 N ATOM 914 CA GLY A 154 10.757 37.417 27.031 1.00 0.33 C ATOM 915 C GLY A 154 10.056 36.665 25.905 1.00 24.02 C ATOM 916 O GLY A 154 10.346 35.490 25.653 1.00 22.34 O ATOM 0 H GLY A 154 11.231 38.976 25.710 1.00 61.51 H new ATOM 0 HA2 GLY A 154 11.716 36.945 27.243 1.00 0.33 H new ATOM 0 HA3 GLY A 154 10.161 37.350 27.941 1.00 0.33 H new ATOM 920 N ASN A 155 9.129 37.370 25.217 1.00 62.32 N ATOM 921 CA ASN A 155 8.320 36.813 24.108 1.00 63.14 C ATOM 922 C ASN A 155 8.014 37.901 23.060 1.00 63.43 C ATOM 923 O ASN A 155 8.169 39.098 23.322 1.00 55.12 O ATOM 924 CB ASN A 155 6.988 36.192 24.634 1.00 55.45 C ATOM 925 CG ASN A 155 7.183 34.895 25.430 1.00 55.35 C ATOM 926 OD1 ASN A 155 7.233 33.804 24.858 1.00 52.20 O ATOM 927 ND2 ASN A 155 7.287 35.001 26.748 1.00 0.04 N ATOM 0 H ASN A 155 8.920 38.348 25.417 1.00 62.32 H new ATOM 0 HA ASN A 155 8.905 36.022 23.639 1.00 63.14 H new ATOM 0 HB2 ASN A 155 6.482 36.922 25.265 1.00 55.45 H new ATOM 0 HB3 ASN A 155 6.331 35.993 23.787 1.00 55.45 H new ATOM 0 HD21 ASN A 155 7.412 34.165 27.319 1.00 0.04 H new ATOM 0 HD22 ASN A 155 7.242 35.919 27.191 1.00 0.04 H new ATOM 934 N CYS A 156 7.586 37.458 21.864 1.00 70.53 N ATOM 935 CA CYS A 156 7.168 38.335 20.750 1.00 2.43 C ATOM 936 C CYS A 156 5.705 38.009 20.397 1.00 24.00 C ATOM 937 O CYS A 156 5.390 36.871 20.024 1.00 71.22 O ATOM 938 CB CYS A 156 8.107 38.107 19.542 1.00 14.33 C ATOM 939 SG CYS A 156 7.671 38.975 17.993 1.00 31.32 S ATOM 0 H CYS A 156 7.519 36.465 21.639 1.00 70.53 H new ATOM 0 HA CYS A 156 7.234 39.386 21.033 1.00 2.43 H new ATOM 0 HB2 CYS A 156 9.114 38.410 19.831 1.00 14.33 H new ATOM 0 HB3 CYS A 156 8.143 37.037 19.335 1.00 14.33 H new ATOM 944 N LYS A 157 4.827 39.026 20.506 1.00 61.25 N ATOM 945 CA LYS A 157 3.355 38.856 20.400 1.00 65.14 C ATOM 946 C LYS A 157 2.894 38.563 18.957 1.00 4.41 C ATOM 947 O LYS A 157 1.821 37.985 18.755 1.00 4.21 O ATOM 948 CB LYS A 157 2.597 40.098 20.978 1.00 11.53 C ATOM 949 CG LYS A 157 2.641 41.414 20.144 1.00 43.22 C ATOM 950 CD LYS A 157 4.037 42.079 20.084 1.00 44.24 C ATOM 951 CE LYS A 157 4.023 43.446 19.381 1.00 4.41 C ATOM 952 NZ LYS A 157 3.162 44.434 20.082 1.00 22.21 N ATOM 0 H LYS A 157 5.114 39.991 20.670 1.00 61.25 H new ATOM 0 HA LYS A 157 3.102 37.983 21.002 1.00 65.14 H new ATOM 0 HB2 LYS A 157 1.552 39.821 21.116 1.00 11.53 H new ATOM 0 HB3 LYS A 157 3.004 40.311 21.967 1.00 11.53 H new ATOM 0 HG2 LYS A 157 2.309 41.199 19.128 1.00 43.22 H new ATOM 0 HG3 LYS A 157 1.930 42.124 20.568 1.00 43.22 H new ATOM 0 HD2 LYS A 157 4.418 42.202 21.098 1.00 44.24 H new ATOM 0 HD3 LYS A 157 4.727 41.416 19.562 1.00 44.24 H new ATOM 0 HE2 LYS A 157 5.041 43.832 19.322 1.00 4.41 H new ATOM 0 HE3 LYS A 157 3.670 43.322 18.357 1.00 4.41 H new ATOM 0 HZ1 LYS A 157 3.340 45.384 19.697 1.00 22.21 H new ATOM 0 HZ2 LYS A 157 2.162 44.185 19.941 1.00 22.21 H new ATOM 0 HZ3 LYS A 157 3.381 44.426 21.099 1.00 22.21 H new ATOM 966 N TYR A 158 3.711 38.972 17.970 1.00 60.14 N ATOM 967 CA TYR A 158 3.421 38.747 16.540 1.00 35.10 C ATOM 968 C TYR A 158 3.457 37.249 16.177 1.00 63.50 C ATOM 969 O TYR A 158 2.594 36.768 15.430 1.00 53.31 O ATOM 970 CB TYR A 158 4.414 39.547 15.656 1.00 64.43 C ATOM 971 CG TYR A 158 4.180 41.065 15.647 1.00 13.40 C ATOM 972 CD1 TYR A 158 5.215 41.977 15.887 1.00 10.35 C ATOM 973 CD2 TYR A 158 2.909 41.586 15.380 1.00 72.54 C ATOM 974 CE1 TYR A 158 4.985 43.344 15.861 1.00 1.12 C ATOM 975 CE2 TYR A 158 2.680 42.945 15.357 1.00 53.13 C ATOM 976 CZ TYR A 158 3.715 43.820 15.597 1.00 64.23 C ATOM 977 OH TYR A 158 3.476 45.176 15.576 1.00 43.51 O ATOM 0 H TYR A 158 4.587 39.466 18.139 1.00 60.14 H new ATOM 0 HA TYR A 158 2.409 39.104 16.348 1.00 35.10 H new ATOM 0 HB2 TYR A 158 5.429 39.351 16.003 1.00 64.43 H new ATOM 0 HB3 TYR A 158 4.350 39.176 14.633 1.00 64.43 H new ATOM 0 HD1 TYR A 158 6.209 41.610 16.096 1.00 10.35 H new ATOM 0 HD2 TYR A 158 2.090 40.909 15.188 1.00 72.54 H new ATOM 0 HE1 TYR A 158 5.795 44.034 16.046 1.00 1.12 H new ATOM 0 HE2 TYR A 158 1.689 43.323 15.151 1.00 53.13 H new ATOM 0 HH TYR A 158 2.531 45.339 15.374 1.00 43.51 H new ATOM 987 N GLY A 159 4.459 36.531 16.719 1.00 2.52 N ATOM 988 CA GLY A 159 4.636 35.100 16.454 1.00 60.34 C ATOM 989 C GLY A 159 4.943 34.801 14.985 1.00 43.21 C ATOM 990 O GLY A 159 6.062 35.041 14.524 1.00 62.33 O ATOM 0 H GLY A 159 5.160 36.926 17.346 1.00 2.52 H new ATOM 0 HA2 GLY A 159 5.447 34.718 17.075 1.00 60.34 H new ATOM 0 HA3 GLY A 159 3.732 34.567 16.747 1.00 60.34 H new ATOM 994 N THR A 160 3.924 34.320 14.246 1.00 61.14 N ATOM 995 CA THR A 160 4.040 33.982 12.811 1.00 20.51 C ATOM 996 C THR A 160 4.036 35.253 11.928 1.00 32.33 C ATOM 997 O THR A 160 4.497 35.223 10.778 1.00 65.45 O ATOM 998 CB THR A 160 2.901 32.995 12.367 1.00 31.54 C ATOM 999 OG1 THR A 160 3.064 32.624 10.988 1.00 71.53 O ATOM 1000 CG2 THR A 160 1.491 33.587 12.576 1.00 34.13 C ATOM 0 H THR A 160 2.993 34.154 14.628 1.00 61.14 H new ATOM 0 HA THR A 160 4.998 33.481 12.672 1.00 20.51 H new ATOM 0 HB THR A 160 2.989 32.113 13.001 1.00 31.54 H new ATOM 0 HG1 THR A 160 2.347 32.008 10.728 1.00 71.53 H new ATOM 0 HG21 THR A 160 0.741 32.864 12.253 1.00 34.13 H new ATOM 0 HG22 THR A 160 1.345 33.814 13.632 1.00 34.13 H new ATOM 0 HG23 THR A 160 1.390 34.501 11.991 1.00 34.13 H new ATOM 1008 N ARG A 161 3.512 36.368 12.484 1.00 60.25 N ATOM 1009 CA ARG A 161 3.512 37.688 11.814 1.00 35.55 C ATOM 1010 C ARG A 161 4.933 38.296 11.825 1.00 34.20 C ATOM 1011 O ARG A 161 5.275 39.113 10.962 1.00 44.25 O ATOM 1012 CB ARG A 161 2.516 38.656 12.517 1.00 71.20 C ATOM 1013 CG ARG A 161 1.077 38.112 12.681 1.00 20.31 C ATOM 1014 CD ARG A 161 0.153 39.096 13.429 1.00 12.24 C ATOM 1015 NE ARG A 161 -0.071 40.342 12.669 1.00 60.43 N ATOM 1016 CZ ARG A 161 -0.370 41.544 13.201 1.00 11.04 C ATOM 1017 NH1 ARG A 161 -0.491 41.707 14.517 1.00 54.03 N ATOM 1018 NH2 ARG A 161 -0.572 42.582 12.400 1.00 3.30 N ATOM 0 H ARG A 161 3.078 36.379 13.407 1.00 60.25 H new ATOM 0 HA ARG A 161 3.195 37.548 10.781 1.00 35.55 H new ATOM 0 HB2 ARG A 161 2.909 38.903 13.503 1.00 71.20 H new ATOM 0 HB3 ARG A 161 2.474 39.585 11.948 1.00 71.20 H new ATOM 0 HG2 ARG A 161 0.658 37.902 11.697 1.00 20.31 H new ATOM 0 HG3 ARG A 161 1.109 37.167 13.222 1.00 20.31 H new ATOM 0 HD2 ARG A 161 -0.805 38.615 13.624 1.00 12.24 H new ATOM 0 HD3 ARG A 161 0.591 39.337 14.397 1.00 12.24 H new ATOM 0 HE ARG A 161 0.007 40.289 11.653 1.00 60.43 H new ATOM 0 HH11 ARG A 161 -0.357 40.913 15.144 1.00 54.03 H new ATOM 0 HH12 ARG A 161 -0.718 42.625 14.898 1.00 54.03 H new ATOM 0 HH21 ARG A 161 -0.501 42.467 11.389 1.00 3.30 H new ATOM 0 HH22 ARG A 161 -0.799 43.495 12.795 1.00 3.30 H new ATOM 1032 N CYS A 162 5.744 37.887 12.824 1.00 4.31 N ATOM 1033 CA CYS A 162 7.122 38.374 13.011 1.00 42.25 C ATOM 1034 C CYS A 162 8.050 37.743 11.952 1.00 0.53 C ATOM 1035 O CYS A 162 8.128 36.512 11.842 1.00 3.51 O ATOM 1036 CB CYS A 162 7.605 38.033 14.444 1.00 71.11 C ATOM 1037 SG CYS A 162 9.232 38.714 14.912 1.00 45.34 S ATOM 0 H CYS A 162 5.456 37.205 13.526 1.00 4.31 H new ATOM 0 HA CYS A 162 7.147 39.456 12.886 1.00 42.25 H new ATOM 0 HB2 CYS A 162 6.862 38.395 15.154 1.00 71.11 H new ATOM 0 HB3 CYS A 162 7.642 36.949 14.547 1.00 71.11 H new ATOM 1042 N GLN A 163 8.730 38.599 11.169 1.00 21.20 N ATOM 1043 CA GLN A 163 9.647 38.167 10.087 1.00 64.04 C ATOM 1044 C GLN A 163 11.018 37.727 10.639 1.00 45.33 C ATOM 1045 O GLN A 163 11.832 37.159 9.909 1.00 4.34 O ATOM 1046 CB GLN A 163 9.847 39.322 9.069 1.00 71.12 C ATOM 1047 CG GLN A 163 10.566 40.562 9.639 1.00 3.20 C ATOM 1048 CD GLN A 163 10.708 41.700 8.630 1.00 31.42 C ATOM 1049 OE1 GLN A 163 11.689 41.773 7.887 1.00 54.30 O ATOM 1050 NE2 GLN A 163 9.731 42.596 8.595 1.00 54.55 N ATOM 0 H GLN A 163 8.663 39.612 11.265 1.00 21.20 H new ATOM 0 HA GLN A 163 9.190 37.309 9.593 1.00 64.04 H new ATOM 0 HB2 GLN A 163 10.417 38.946 8.220 1.00 71.12 H new ATOM 0 HB3 GLN A 163 8.872 39.626 8.688 1.00 71.12 H new ATOM 0 HG2 GLN A 163 10.016 40.924 10.508 1.00 3.20 H new ATOM 0 HG3 GLN A 163 11.557 40.270 9.987 1.00 3.20 H new ATOM 0 HE21 GLN A 163 8.933 42.505 9.224 1.00 54.55 H new ATOM 0 HE22 GLN A 163 9.777 43.376 7.939 1.00 54.55 H new ATOM 1059 N PHE A 164 11.262 38.019 11.921 1.00 50.45 N ATOM 1060 CA PHE A 164 12.554 37.785 12.580 1.00 33.23 C ATOM 1061 C PHE A 164 12.575 36.420 13.294 1.00 64.23 C ATOM 1062 O PHE A 164 11.532 35.938 13.758 1.00 63.40 O ATOM 1063 CB PHE A 164 12.838 38.926 13.581 1.00 10.53 C ATOM 1064 CG PHE A 164 12.853 40.324 12.959 1.00 2.24 C ATOM 1065 CD1 PHE A 164 11.826 41.241 13.208 1.00 15.30 C ATOM 1066 CD2 PHE A 164 13.898 40.717 12.121 1.00 50.41 C ATOM 1067 CE1 PHE A 164 11.849 42.502 12.641 1.00 11.52 C ATOM 1068 CE2 PHE A 164 13.917 41.979 11.556 1.00 10.30 C ATOM 1069 CZ PHE A 164 12.894 42.871 11.814 1.00 44.40 C ATOM 0 H PHE A 164 10.561 38.429 12.538 1.00 50.45 H new ATOM 0 HA PHE A 164 13.335 37.771 11.820 1.00 33.23 H new ATOM 0 HB2 PHE A 164 12.083 38.899 14.367 1.00 10.53 H new ATOM 0 HB3 PHE A 164 13.801 38.743 14.058 1.00 10.53 H new ATOM 0 HD1 PHE A 164 11.005 40.960 13.851 1.00 15.30 H new ATOM 0 HD2 PHE A 164 14.702 40.027 11.911 1.00 50.41 H new ATOM 0 HE1 PHE A 164 11.050 43.199 12.844 1.00 11.52 H new ATOM 0 HE2 PHE A 164 14.734 42.268 10.911 1.00 10.30 H new ATOM 0 HZ PHE A 164 12.910 43.855 11.370 1.00 44.40 H new ATOM 1079 N ILE A 165 13.778 35.822 13.368 1.00 44.40 N ATOM 1080 CA ILE A 165 14.020 34.503 13.982 1.00 61.32 C ATOM 1081 C ILE A 165 13.740 34.542 15.499 1.00 23.11 C ATOM 1082 O ILE A 165 14.304 35.377 16.213 1.00 62.44 O ATOM 1083 CB ILE A 165 15.515 34.050 13.753 1.00 42.23 C ATOM 1084 CG1 ILE A 165 15.878 34.065 12.235 1.00 23.01 C ATOM 1085 CG2 ILE A 165 15.800 32.657 14.389 1.00 43.31 C ATOM 1086 CD1 ILE A 165 17.332 33.747 11.921 1.00 4.20 C ATOM 0 H ILE A 165 14.626 36.250 12.996 1.00 44.40 H new ATOM 0 HA ILE A 165 13.344 33.792 13.508 1.00 61.32 H new ATOM 0 HB ILE A 165 16.156 34.772 14.259 1.00 42.23 H new ATOM 0 HG12 ILE A 165 15.244 33.345 11.718 1.00 23.01 H new ATOM 0 HG13 ILE A 165 15.641 35.048 11.829 1.00 23.01 H new ATOM 0 HG21 ILE A 165 16.839 32.381 14.210 1.00 43.31 H new ATOM 0 HG22 ILE A 165 15.617 32.703 15.463 1.00 43.31 H new ATOM 0 HG23 ILE A 165 15.144 31.911 13.940 1.00 43.31 H new ATOM 0 HD11 ILE A 165 17.487 33.782 10.843 1.00 4.20 H new ATOM 0 HD12 ILE A 165 17.977 34.480 12.404 1.00 4.20 H new ATOM 0 HD13 ILE A 165 17.575 32.751 12.291 1.00 4.20 H new ATOM 1098 N HIS A 166 12.866 33.638 15.973 1.00 0.45 N ATOM 1099 CA HIS A 166 12.586 33.453 17.408 1.00 74.23 C ATOM 1100 C HIS A 166 13.427 32.281 17.947 1.00 31.53 C ATOM 1101 O HIS A 166 13.055 31.111 17.793 1.00 75.11 O ATOM 1102 CB HIS A 166 11.064 33.196 17.654 1.00 51.03 C ATOM 1103 CG HIS A 166 10.161 34.375 17.375 1.00 74.24 C ATOM 1104 ND1 HIS A 166 8.789 34.304 17.357 1.00 3.21 N ATOM 1105 CD2 HIS A 166 10.463 35.677 17.149 1.00 24.24 C ATOM 1106 CE1 HIS A 166 8.311 35.524 17.124 1.00 33.12 C ATOM 1107 NE2 HIS A 166 9.291 36.410 16.992 1.00 60.12 N ATOM 0 H HIS A 166 12.332 33.013 15.370 1.00 0.45 H new ATOM 0 HA HIS A 166 12.857 34.365 17.940 1.00 74.23 H new ATOM 0 HB2 HIS A 166 10.747 32.360 17.030 1.00 51.03 H new ATOM 0 HB3 HIS A 166 10.926 32.890 18.691 1.00 51.03 H new ATOM 0 HD1 HIS A 166 8.232 33.461 17.498 1.00 3.21 H new ATOM 0 HD2 HIS A 166 11.462 36.084 17.098 1.00 24.24 H new ATOM 0 HE1 HIS A 166 7.260 35.763 17.052 1.00 33.12 H new ATOM 1115 N LYS A 167 14.598 32.605 18.518 1.00 12.45 N ATOM 1116 CA LYS A 167 15.408 31.647 19.289 1.00 23.25 C ATOM 1117 C LYS A 167 14.988 31.753 20.758 1.00 43.12 C ATOM 1118 O LYS A 167 15.174 32.806 21.377 1.00 4.51 O ATOM 1119 CB LYS A 167 16.932 31.918 19.112 1.00 41.12 C ATOM 1120 CG LYS A 167 17.511 31.454 17.754 1.00 63.30 C ATOM 1121 CD LYS A 167 19.043 31.673 17.650 1.00 73.50 C ATOM 1122 CE LYS A 167 19.672 30.990 16.421 1.00 51.04 C ATOM 1123 NZ LYS A 167 19.095 31.464 15.135 1.00 11.10 N ATOM 0 H LYS A 167 15.010 33.536 18.459 1.00 12.45 H new ATOM 0 HA LYS A 167 15.234 30.635 18.924 1.00 23.25 H new ATOM 0 HB2 LYS A 167 17.114 32.987 19.224 1.00 41.12 H new ATOM 0 HB3 LYS A 167 17.473 31.416 19.914 1.00 41.12 H new ATOM 0 HG2 LYS A 167 17.289 30.396 17.611 1.00 63.30 H new ATOM 0 HG3 LYS A 167 17.015 31.995 16.948 1.00 63.30 H new ATOM 0 HD2 LYS A 167 19.248 32.743 17.608 1.00 73.50 H new ATOM 0 HD3 LYS A 167 19.520 31.292 18.553 1.00 73.50 H new ATOM 0 HE2 LYS A 167 20.746 31.173 16.420 1.00 51.04 H new ATOM 0 HE3 LYS A 167 19.533 29.912 16.500 1.00 51.04 H new ATOM 0 HZ1 LYS A 167 18.433 30.751 14.768 1.00 11.10 H new ATOM 0 HZ2 LYS A 167 18.589 32.359 15.291 1.00 11.10 H new ATOM 0 HZ3 LYS A 167 19.859 31.614 14.446 1.00 11.10 H new ATOM 1137 N ILE A 168 14.394 30.665 21.288 1.00 1.12 N ATOM 1138 CA ILE A 168 13.782 30.639 22.626 1.00 63.05 C ATOM 1139 C ILE A 168 14.875 30.765 23.709 1.00 33.32 C ATOM 1140 O ILE A 168 15.558 29.787 24.040 1.00 2.31 O ATOM 1141 CB ILE A 168 12.920 29.331 22.831 1.00 32.02 C ATOM 1142 CG1 ILE A 168 11.912 29.143 21.643 1.00 24.34 C ATOM 1143 CG2 ILE A 168 12.171 29.358 24.193 1.00 21.51 C ATOM 1144 CD1 ILE A 168 11.107 27.849 21.678 1.00 64.11 C ATOM 0 H ILE A 168 14.327 29.775 20.794 1.00 1.12 H new ATOM 0 HA ILE A 168 13.107 31.490 22.717 1.00 63.05 H new ATOM 0 HB ILE A 168 13.600 28.479 22.844 1.00 32.02 H new ATOM 0 HG12 ILE A 168 11.219 29.984 21.638 1.00 24.34 H new ATOM 0 HG13 ILE A 168 12.467 29.182 20.706 1.00 24.34 H new ATOM 0 HG21 ILE A 168 11.587 28.445 24.305 1.00 21.51 H new ATOM 0 HG22 ILE A 168 12.895 29.427 25.005 1.00 21.51 H new ATOM 0 HG23 ILE A 168 11.506 30.221 24.225 1.00 21.51 H new ATOM 0 HD11 ILE A 168 10.440 27.812 20.817 1.00 64.11 H new ATOM 0 HD12 ILE A 168 11.786 26.997 21.648 1.00 64.11 H new ATOM 0 HD13 ILE A 168 10.518 27.811 22.595 1.00 64.11 H new ATOM 1156 N VAL A 169 15.059 32.002 24.208 1.00 30.12 N ATOM 1157 CA VAL A 169 16.094 32.333 25.204 1.00 24.55 C ATOM 1158 C VAL A 169 15.706 31.761 26.583 1.00 12.42 C ATOM 1159 O VAL A 169 14.571 31.948 27.042 1.00 1.40 O ATOM 1160 CB VAL A 169 16.321 33.893 25.309 1.00 61.32 C ATOM 1161 CG1 VAL A 169 17.469 34.247 26.296 1.00 63.11 C ATOM 1162 CG2 VAL A 169 16.568 34.522 23.912 1.00 72.23 C ATOM 0 H VAL A 169 14.491 32.803 23.930 1.00 30.12 H new ATOM 0 HA VAL A 169 17.029 31.880 24.875 1.00 24.55 H new ATOM 0 HB VAL A 169 15.405 34.324 25.712 1.00 61.32 H new ATOM 0 HG11 VAL A 169 17.592 35.329 26.338 1.00 63.11 H new ATOM 0 HG12 VAL A 169 17.224 33.871 27.289 1.00 63.11 H new ATOM 0 HG13 VAL A 169 18.397 33.790 25.953 1.00 63.11 H new ATOM 0 HG21 VAL A 169 16.721 35.596 24.018 1.00 72.23 H new ATOM 0 HG22 VAL A 169 17.453 34.073 23.462 1.00 72.23 H new ATOM 0 HG23 VAL A 169 15.704 34.340 23.273 1.00 72.23 H new ATOM 1172 N ASP A 170 16.657 31.049 27.215 1.00 52.04 N ATOM 1173 CA ASP A 170 16.489 30.472 28.563 1.00 51.33 C ATOM 1174 C ASP A 170 16.617 31.561 29.647 1.00 3.11 C ATOM 1175 O ASP A 170 16.950 32.716 29.341 1.00 22.45 O ATOM 1176 CB ASP A 170 17.534 29.345 28.792 1.00 40.51 C ATOM 1177 CG ASP A 170 17.374 28.176 27.801 1.00 20.44 C ATOM 1178 OD1 ASP A 170 16.543 27.275 28.052 1.00 12.04 O ATOM 1179 OD2 ASP A 170 18.055 28.165 26.752 1.00 41.22 O ATOM 0 H ASP A 170 17.570 30.856 26.803 1.00 52.04 H new ATOM 0 HA ASP A 170 15.489 30.044 28.635 1.00 51.33 H new ATOM 0 HB2 ASP A 170 18.537 29.761 28.698 1.00 40.51 H new ATOM 0 HB3 ASP A 170 17.439 28.968 29.810 1.00 40.51 H new ATOM 1184 N GLY A 171 16.351 31.172 30.911 1.00 73.44 N ATOM 1185 CA GLY A 171 16.441 32.087 32.060 1.00 22.50 C ATOM 1186 C GLY A 171 17.839 32.676 32.257 1.00 62.24 C ATOM 1187 O GLY A 171 17.986 33.818 32.705 1.00 51.31 O ATOM 0 H GLY A 171 16.071 30.223 31.159 1.00 73.44 H new ATOM 0 HA2 GLY A 171 15.728 32.900 31.925 1.00 22.50 H new ATOM 0 HA3 GLY A 171 16.148 31.553 32.964 1.00 22.50 H new ATOM 1191 N ASN A 172 18.862 31.883 31.905 1.00 31.24 N ATOM 1192 CA ASN A 172 20.272 32.301 31.942 1.00 23.43 C ATOM 1193 C ASN A 172 21.051 31.564 30.838 1.00 71.13 C ATOM 1194 O ASN A 172 20.853 30.358 30.635 1.00 74.32 O ATOM 1195 CB ASN A 172 20.896 32.042 33.348 1.00 61.30 C ATOM 1196 CG ASN A 172 20.828 30.576 33.794 1.00 41.34 C ATOM 1197 OD1 ASN A 172 21.747 29.791 33.548 1.00 22.45 O ATOM 1198 ND2 ASN A 172 19.738 30.193 34.445 1.00 31.54 N ATOM 0 H ASN A 172 18.733 30.924 31.583 1.00 31.24 H new ATOM 0 HA ASN A 172 20.332 33.374 31.759 1.00 23.43 H new ATOM 0 HB2 ASN A 172 21.938 32.361 33.337 1.00 61.30 H new ATOM 0 HB3 ASN A 172 20.381 32.660 34.083 1.00 61.30 H new ATOM 0 HD21 ASN A 172 19.643 29.226 34.757 1.00 31.54 H new ATOM 0 HD22 ASN A 172 18.994 30.865 34.634 1.00 31.54 H new ATOM 1205 N ALA A 173 21.913 32.303 30.119 1.00 52.20 N ATOM 1206 CA ALA A 173 22.742 31.762 29.031 1.00 0.31 C ATOM 1207 C ALA A 173 23.927 32.725 28.765 1.00 74.40 C ATOM 1208 O ALA A 173 23.754 33.723 28.031 1.00 40.41 O ATOM 1209 CB ALA A 173 21.889 31.524 27.761 1.00 55.51 C ATOM 1210 OXT ALA A 173 25.026 32.493 29.316 1.00 38.86 O ATOM 0 H ALA A 173 22.054 33.300 30.279 1.00 52.20 H new ATOM 0 HA ALA A 173 23.148 30.794 29.323 1.00 0.31 H new ATOM 0 HB1 ALA A 173 22.521 31.124 26.968 1.00 55.51 H new ATOM 0 HB2 ALA A 173 21.094 30.813 27.985 1.00 55.51 H new ATOM 0 HB3 ALA A 173 21.451 32.467 27.435 1.00 55.51 H new TER 1216 ALA A 173 HETATM 1217 ZN ZN A 201 0.000 0.441 2.014 1.00 73.14 ZN HETATM 1218 ZN ZN A 202 9.351 38.399 16.892 1.00 55.15 ZN