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 Set 1.1: A 157 LYS NZ :NH3+ -116:sc= 0.609 (180deg=-0.239) USER MOD Set 1.2: A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -30:sc= 0.0757 USER MOD Single : A 100 LYS NZ :NH3+ -122:sc= 1.71 (180deg=0.267) USER MOD Single : A 101 THR OG1 : rot -129:sc= 0.317 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0207) USER MOD Single : A 110 SER OG : rot 180:sc= 0 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 X(o=0,f=-0.19) USER MOD Single : A 126 HIS : no HD1:sc= -0.335 K(o=-0.34,f=-3.5!) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.127 K(o=0.13,f=-3.5!) USER MOD Single : A 138 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.79) USER MOD Single : A 139 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) 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+ -174:sc= 1.13 (180deg=1.07) USER MOD Single : A 144 THR OG1 : rot 180:sc=-0.00288 USER MOD Single : A 149 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 151 SER OG : rot 180:sc=-0.00195 USER MOD Single : A 152 MET CE :methyl -138:sc= -0.17 (180deg=-0.465) USER MOD Single : A 153 THR OG1 : rot -42:sc= 0.924 USER MOD Single : A 155 ASN : amide:sc= 0.184 X(o=0.18,f=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+ -172:sc= 0 (180deg=-0.0805) USER MOD Single : A 172 ASN : amide:sc=-0.000469 X(o=-0.00047,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 96 7.329 12.076 14.331 1.00 2.00 N ATOM 2 CA SER A 96 6.027 11.973 13.635 1.00 34.22 C ATOM 3 C SER A 96 5.380 10.602 13.882 1.00 21.40 C ATOM 4 O SER A 96 6.078 9.620 14.171 1.00 32.02 O ATOM 5 CB SER A 96 6.217 12.216 12.121 1.00 72.12 C ATOM 6 OG SER A 96 7.162 11.316 11.557 1.00 72.14 O ATOM 0 HA SER A 96 5.360 12.737 14.035 1.00 34.22 H new ATOM 0 HB2 SER A 96 5.260 12.104 11.612 1.00 72.12 H new ATOM 0 HB3 SER A 96 6.548 13.241 11.956 1.00 72.12 H new ATOM 0 HG SER A 96 7.826 11.071 12.235 1.00 72.14 H new ATOM 14 N ASP A 97 4.039 10.561 13.768 1.00 13.51 N ATOM 15 CA ASP A 97 3.240 9.322 13.853 1.00 53.24 C ATOM 16 C ASP A 97 3.500 8.431 12.619 1.00 2.45 C ATOM 17 O ASP A 97 3.856 8.931 11.547 1.00 24.52 O ATOM 18 CB ASP A 97 1.733 9.686 13.987 1.00 44.43 C ATOM 19 CG ASP A 97 0.782 8.469 14.035 1.00 31.44 C ATOM 20 OD1 ASP A 97 0.946 7.607 14.925 1.00 62.40 O ATOM 21 OD2 ASP A 97 -0.141 8.379 13.201 1.00 24.23 O ATOM 0 H ASP A 97 3.473 11.395 13.613 1.00 13.51 H new ATOM 0 HA ASP A 97 3.536 8.754 14.735 1.00 53.24 H new ATOM 0 HB2 ASP A 97 1.594 10.276 14.893 1.00 44.43 H new ATOM 0 HB3 ASP A 97 1.449 10.320 13.147 1.00 44.43 H new ATOM 26 N ALA A 98 3.320 7.111 12.783 1.00 11.44 N ATOM 27 CA ALA A 98 3.640 6.111 11.740 1.00 65.41 C ATOM 28 C ALA A 98 2.658 6.149 10.551 1.00 21.35 C ATOM 29 O ALA A 98 2.963 5.598 9.485 1.00 50.42 O ATOM 30 CB ALA A 98 3.675 4.704 12.360 1.00 35.14 C ATOM 0 H ALA A 98 2.949 6.702 13.641 1.00 11.44 H new ATOM 0 HA ALA A 98 4.622 6.365 11.341 1.00 65.41 H new ATOM 0 HB1 ALA A 98 3.911 3.972 11.588 1.00 35.14 H new ATOM 0 HB2 ALA A 98 4.437 4.668 13.139 1.00 35.14 H new ATOM 0 HB3 ALA A 98 2.702 4.473 12.794 1.00 35.14 H new ATOM 36 N PHE A 99 1.487 6.791 10.740 1.00 32.22 N ATOM 37 CA PHE A 99 0.433 6.856 9.717 1.00 65.15 C ATOM 38 C PHE A 99 0.593 8.088 8.812 1.00 20.41 C ATOM 39 O PHE A 99 0.721 9.220 9.291 1.00 53.10 O ATOM 40 CB PHE A 99 -0.978 6.844 10.363 1.00 63.11 C ATOM 41 CG PHE A 99 -1.373 5.493 10.957 1.00 72.11 C ATOM 42 CD1 PHE A 99 -0.920 5.095 12.215 1.00 40.14 C ATOM 43 CD2 PHE A 99 -2.197 4.617 10.246 1.00 71.00 C ATOM 44 CE1 PHE A 99 -1.279 3.871 12.740 1.00 33.43 C ATOM 45 CE2 PHE A 99 -2.554 3.393 10.774 1.00 21.22 C ATOM 46 CZ PHE A 99 -2.095 3.020 12.021 1.00 11.22 C ATOM 0 H PHE A 99 1.250 7.277 11.605 1.00 32.22 H new ATOM 0 HA PHE A 99 0.538 5.966 9.096 1.00 65.15 H new ATOM 0 HB2 PHE A 99 -1.015 7.600 11.147 1.00 63.11 H new ATOM 0 HB3 PHE A 99 -1.714 7.129 9.611 1.00 63.11 H new ATOM 0 HD1 PHE A 99 -0.281 5.753 12.785 1.00 40.14 H new ATOM 0 HD2 PHE A 99 -2.560 4.902 9.269 1.00 71.00 H new ATOM 0 HE1 PHE A 99 -0.921 3.577 13.716 1.00 33.43 H new ATOM 0 HE2 PHE A 99 -3.192 2.727 10.212 1.00 21.22 H new ATOM 0 HZ PHE A 99 -2.374 2.062 12.435 1.00 11.22 H new ATOM 56 N LYS A 100 0.637 7.804 7.494 1.00 41.45 N ATOM 57 CA LYS A 100 0.402 8.760 6.388 1.00 23.33 C ATOM 58 C LYS A 100 1.504 9.826 6.234 1.00 2.43 C ATOM 59 O LYS A 100 1.348 10.769 5.457 1.00 70.02 O ATOM 60 CB LYS A 100 -1.005 9.415 6.519 1.00 22.03 C ATOM 61 CG LYS A 100 -2.176 8.413 6.702 1.00 41.21 C ATOM 62 CD LYS A 100 -2.182 7.266 5.658 1.00 3.20 C ATOM 63 CE LYS A 100 -3.261 6.214 5.955 1.00 70.13 C ATOM 64 NZ LYS A 100 -3.166 5.034 5.058 1.00 41.23 N ATOM 0 H LYS A 100 0.846 6.865 7.156 1.00 41.45 H new ATOM 0 HA LYS A 100 0.439 8.174 5.470 1.00 23.33 H new ATOM 0 HB2 LYS A 100 -0.994 10.098 7.368 1.00 22.03 H new ATOM 0 HB3 LYS A 100 -1.195 10.015 5.629 1.00 22.03 H new ATOM 0 HG2 LYS A 100 -2.122 7.982 7.702 1.00 41.21 H new ATOM 0 HG3 LYS A 100 -3.120 8.955 6.639 1.00 41.21 H new ATOM 0 HD2 LYS A 100 -2.348 7.683 4.664 1.00 3.20 H new ATOM 0 HD3 LYS A 100 -1.204 6.786 5.643 1.00 3.20 H new ATOM 0 HE2 LYS A 100 -3.170 5.887 6.991 1.00 70.13 H new ATOM 0 HE3 LYS A 100 -4.246 6.669 5.849 1.00 70.13 H new ATOM 0 HZ1 LYS A 100 -4.063 4.915 4.545 1.00 41.23 H new ATOM 0 HZ2 LYS A 100 -2.394 5.177 4.376 1.00 41.23 H new ATOM 0 HZ3 LYS A 100 -2.975 4.182 5.624 1.00 41.23 H new ATOM 78 N THR A 101 2.626 9.641 6.938 1.00 22.33 N ATOM 79 CA THR A 101 3.775 10.563 6.893 1.00 24.11 C ATOM 80 C THR A 101 4.744 10.212 5.739 1.00 41.24 C ATOM 81 O THR A 101 5.692 10.959 5.466 1.00 62.12 O ATOM 82 CB THR A 101 4.513 10.563 8.269 1.00 34.24 C ATOM 83 OG1 THR A 101 4.850 9.216 8.657 1.00 32.40 O ATOM 84 CG2 THR A 101 3.652 11.215 9.367 1.00 12.31 C ATOM 0 H THR A 101 2.767 8.844 7.559 1.00 22.33 H new ATOM 0 HA THR A 101 3.399 11.567 6.698 1.00 24.11 H new ATOM 0 HB THR A 101 5.426 11.148 8.154 1.00 34.24 H new ATOM 0 HG1 THR A 101 4.544 9.053 9.574 1.00 32.40 H new ATOM 0 HG21 THR A 101 4.195 11.199 10.312 1.00 12.31 H new ATOM 0 HG22 THR A 101 3.432 12.247 9.092 1.00 12.31 H new ATOM 0 HG23 THR A 101 2.719 10.661 9.475 1.00 12.31 H new ATOM 92 N ALA A 102 4.481 9.075 5.070 1.00 71.43 N ATOM 93 CA ALA A 102 5.217 8.626 3.875 1.00 31.50 C ATOM 94 C ALA A 102 4.269 7.830 2.960 1.00 62.14 C ATOM 95 O ALA A 102 3.266 7.283 3.429 1.00 30.42 O ATOM 96 CB ALA A 102 6.438 7.776 4.275 1.00 53.44 C ATOM 0 H ALA A 102 3.740 8.433 5.349 1.00 71.43 H new ATOM 0 HA ALA A 102 5.585 9.497 3.332 1.00 31.50 H new ATOM 0 HB1 ALA A 102 6.967 7.455 3.378 1.00 53.44 H new ATOM 0 HB2 ALA A 102 7.107 8.370 4.898 1.00 53.44 H new ATOM 0 HB3 ALA A 102 6.105 6.901 4.833 1.00 53.44 H new ATOM 102 N LEU A 103 4.594 7.784 1.658 1.00 44.13 N ATOM 103 CA LEU A 103 3.818 7.035 0.644 1.00 15.30 C ATOM 104 C LEU A 103 4.068 5.517 0.753 1.00 71.23 C ATOM 105 O LEU A 103 5.092 5.080 1.287 1.00 0.22 O ATOM 106 CB LEU A 103 4.178 7.541 -0.778 1.00 22.53 C ATOM 107 CG LEU A 103 3.751 9.006 -1.111 1.00 41.21 C ATOM 108 CD1 LEU A 103 4.328 9.467 -2.468 1.00 73.25 C ATOM 109 CD2 LEU A 103 2.208 9.161 -1.077 1.00 41.41 C ATOM 0 H LEU A 103 5.406 8.266 1.272 1.00 44.13 H new ATOM 0 HA LEU A 103 2.758 7.211 0.830 1.00 15.30 H new ATOM 0 HB2 LEU A 103 5.257 7.459 -0.909 1.00 22.53 H new ATOM 0 HB3 LEU A 103 3.717 6.874 -1.507 1.00 22.53 H new ATOM 0 HG LEU A 103 4.168 9.653 -0.340 1.00 41.21 H new ATOM 0 HD11 LEU A 103 4.012 10.491 -2.669 1.00 73.25 H new ATOM 0 HD12 LEU A 103 5.417 9.424 -2.434 1.00 73.25 H new ATOM 0 HD13 LEU A 103 3.963 8.812 -3.260 1.00 73.25 H new ATOM 0 HD21 LEU A 103 1.941 10.191 -1.313 1.00 41.41 H new ATOM 0 HD22 LEU A 103 1.759 8.492 -1.811 1.00 41.41 H new ATOM 0 HD23 LEU A 103 1.839 8.909 -0.083 1.00 41.41 H new ATOM 121 N CYS A 104 3.114 4.730 0.229 1.00 32.41 N ATOM 122 CA CYS A 104 3.131 3.259 0.299 1.00 74.13 C ATOM 123 C CYS A 104 3.918 2.665 -0.875 1.00 24.41 C ATOM 124 O CYS A 104 3.484 2.763 -2.025 1.00 15.13 O ATOM 125 CB CYS A 104 1.675 2.750 0.305 1.00 11.21 C ATOM 126 SG CYS A 104 1.458 0.947 0.468 1.00 72.44 S ATOM 0 H CYS A 104 2.300 5.101 -0.261 1.00 32.41 H new ATOM 0 HA CYS A 104 3.631 2.941 1.214 1.00 74.13 H new ATOM 0 HB2 CYS A 104 1.145 3.235 1.125 1.00 11.21 H new ATOM 0 HB3 CYS A 104 1.195 3.071 -0.619 1.00 11.21 H new ATOM 131 N ASP A 105 5.067 2.044 -0.558 1.00 3.25 N ATOM 132 CA ASP A 105 5.974 1.424 -1.548 1.00 13.42 C ATOM 133 C ASP A 105 5.257 0.318 -2.351 1.00 71.52 C ATOM 134 O ASP A 105 5.397 0.233 -3.578 1.00 12.23 O ATOM 135 CB ASP A 105 7.211 0.845 -0.811 1.00 53.43 C ATOM 136 CG ASP A 105 8.251 0.214 -1.750 1.00 61.22 C ATOM 137 OD1 ASP A 105 9.112 0.954 -2.276 1.00 21.35 O ATOM 138 OD2 ASP A 105 8.213 -1.017 -1.968 1.00 74.40 O ATOM 0 H ASP A 105 5.399 1.956 0.403 1.00 3.25 H new ATOM 0 HA ASP A 105 6.293 2.187 -2.258 1.00 13.42 H new ATOM 0 HB2 ASP A 105 7.687 1.641 -0.239 1.00 53.43 H new ATOM 0 HB3 ASP A 105 6.878 0.093 -0.095 1.00 53.43 H new ATOM 143 N ALA A 106 4.476 -0.505 -1.628 1.00 63.52 N ATOM 144 CA ALA A 106 3.706 -1.624 -2.205 1.00 51.40 C ATOM 145 C ALA A 106 2.628 -1.121 -3.184 1.00 1.22 C ATOM 146 O ALA A 106 2.387 -1.741 -4.216 1.00 4.13 O ATOM 147 CB ALA A 106 3.065 -2.460 -1.082 1.00 44.13 C ATOM 0 H ALA A 106 4.360 -0.412 -0.619 1.00 63.52 H new ATOM 0 HA ALA A 106 4.396 -2.253 -2.768 1.00 51.40 H new ATOM 0 HB1 ALA A 106 2.499 -3.283 -1.519 1.00 44.13 H new ATOM 0 HB2 ALA A 106 3.846 -2.860 -0.435 1.00 44.13 H new ATOM 0 HB3 ALA A 106 2.396 -1.830 -0.496 1.00 44.13 H new ATOM 153 N TYR A 107 2.006 0.022 -2.847 1.00 30.43 N ATOM 154 CA TYR A 107 0.943 0.631 -3.669 1.00 4.53 C ATOM 155 C TYR A 107 1.530 1.274 -4.947 1.00 32.31 C ATOM 156 O TYR A 107 0.906 1.237 -6.011 1.00 2.31 O ATOM 157 CB TYR A 107 0.159 1.676 -2.830 1.00 70.11 C ATOM 158 CG TYR A 107 -0.919 2.450 -3.608 1.00 51.10 C ATOM 159 CD1 TYR A 107 -2.167 1.883 -3.880 1.00 75.11 C ATOM 160 CD2 TYR A 107 -0.676 3.744 -4.086 1.00 0.34 C ATOM 161 CE1 TYR A 107 -3.122 2.574 -4.596 1.00 73.11 C ATOM 162 CE2 TYR A 107 -1.630 4.433 -4.799 1.00 62.11 C ATOM 163 CZ TYR A 107 -2.851 3.847 -5.054 1.00 35.35 C ATOM 164 OH TYR A 107 -3.807 4.536 -5.768 1.00 71.15 O ATOM 0 H TYR A 107 2.224 0.549 -2.001 1.00 30.43 H new ATOM 0 HA TYR A 107 0.253 -0.152 -3.983 1.00 4.53 H new ATOM 0 HB2 TYR A 107 -0.314 1.166 -1.991 1.00 70.11 H new ATOM 0 HB3 TYR A 107 0.868 2.390 -2.411 1.00 70.11 H new ATOM 0 HD1 TYR A 107 -2.387 0.888 -3.524 1.00 75.11 H new ATOM 0 HD2 TYR A 107 0.279 4.210 -3.891 1.00 0.34 H new ATOM 0 HE1 TYR A 107 -4.081 2.119 -4.798 1.00 73.11 H new ATOM 0 HE2 TYR A 107 -1.423 5.430 -5.158 1.00 62.11 H new ATOM 0 HH TYR A 107 -3.458 5.418 -6.016 1.00 71.15 H new ATOM 174 N LYS A 108 2.724 1.870 -4.829 1.00 51.41 N ATOM 175 CA LYS A 108 3.376 2.579 -5.948 1.00 63.51 C ATOM 176 C LYS A 108 3.949 1.590 -6.986 1.00 31.54 C ATOM 177 O LYS A 108 3.765 1.767 -8.199 1.00 11.51 O ATOM 178 CB LYS A 108 4.491 3.509 -5.404 1.00 31.52 C ATOM 179 CG LYS A 108 3.976 4.664 -4.510 1.00 31.23 C ATOM 180 CD LYS A 108 5.116 5.481 -3.853 1.00 42.12 C ATOM 181 CE LYS A 108 6.034 6.176 -4.876 1.00 72.14 C ATOM 182 NZ LYS A 108 5.301 7.145 -5.734 1.00 32.33 N ATOM 0 H LYS A 108 3.265 1.877 -3.964 1.00 51.41 H new ATOM 0 HA LYS A 108 2.623 3.183 -6.454 1.00 63.51 H new ATOM 0 HB2 LYS A 108 5.200 2.911 -4.832 1.00 31.52 H new ATOM 0 HB3 LYS A 108 5.038 3.933 -6.246 1.00 31.52 H new ATOM 0 HG2 LYS A 108 3.358 5.332 -5.110 1.00 31.23 H new ATOM 0 HG3 LYS A 108 3.336 4.253 -3.730 1.00 31.23 H new ATOM 0 HD2 LYS A 108 4.682 6.233 -3.195 1.00 42.12 H new ATOM 0 HD3 LYS A 108 5.715 4.819 -3.228 1.00 42.12 H new ATOM 0 HE2 LYS A 108 6.833 6.696 -4.348 1.00 72.14 H new ATOM 0 HE3 LYS A 108 6.506 5.422 -5.506 1.00 72.14 H new ATOM 0 HZ1 LYS A 108 5.974 7.634 -6.358 1.00 32.33 H new ATOM 0 HZ2 LYS A 108 4.600 6.637 -6.311 1.00 32.33 H new ATOM 0 HZ3 LYS A 108 4.816 7.842 -5.134 1.00 32.33 H new ATOM 196 N ARG A 109 4.629 0.544 -6.492 1.00 34.12 N ATOM 197 CA ARG A 109 5.373 -0.413 -7.338 1.00 11.20 C ATOM 198 C ARG A 109 4.498 -1.606 -7.767 1.00 72.33 C ATOM 199 O ARG A 109 4.429 -1.933 -8.955 1.00 72.31 O ATOM 200 CB ARG A 109 6.629 -0.905 -6.572 1.00 33.45 C ATOM 201 CG ARG A 109 7.680 0.195 -6.313 1.00 45.12 C ATOM 202 CD ARG A 109 8.804 -0.271 -5.375 1.00 33.12 C ATOM 203 NE ARG A 109 9.518 -1.466 -5.867 1.00 1.53 N ATOM 204 CZ ARG A 109 10.137 -2.372 -5.087 1.00 3.22 C ATOM 205 NH1 ARG A 109 10.139 -2.250 -3.761 1.00 2.33 N ATOM 206 NH2 ARG A 109 10.761 -3.396 -5.647 1.00 1.42 N ATOM 0 H ARG A 109 4.681 0.334 -5.495 1.00 34.12 H new ATOM 0 HA ARG A 109 5.676 0.101 -8.250 1.00 11.20 H new ATOM 0 HB2 ARG A 109 6.317 -1.326 -5.616 1.00 33.45 H new ATOM 0 HB3 ARG A 109 7.095 -1.711 -7.139 1.00 33.45 H new ATOM 0 HG2 ARG A 109 8.112 0.511 -7.263 1.00 45.12 H new ATOM 0 HG3 ARG A 109 7.189 1.067 -5.881 1.00 45.12 H new ATOM 0 HD2 ARG A 109 9.518 0.542 -5.243 1.00 33.12 H new ATOM 0 HD3 ARG A 109 8.382 -0.487 -4.393 1.00 33.12 H new ATOM 0 HE ARG A 109 9.544 -1.617 -6.875 1.00 1.53 H new ATOM 0 HH11 ARG A 109 9.666 -1.461 -3.321 1.00 2.33 H new ATOM 0 HH12 ARG A 109 10.613 -2.946 -3.186 1.00 2.33 H new ATOM 0 HH21 ARG A 109 10.770 -3.494 -6.662 1.00 1.42 H new ATOM 0 HH22 ARG A 109 11.233 -4.087 -5.063 1.00 1.42 H new ATOM 220 N SER A 110 3.829 -2.243 -6.796 1.00 54.22 N ATOM 221 CA SER A 110 3.066 -3.497 -7.022 1.00 74.33 C ATOM 222 C SER A 110 1.552 -3.231 -7.164 1.00 71.12 C ATOM 223 O SER A 110 0.817 -4.108 -7.648 1.00 43.34 O ATOM 224 CB SER A 110 3.342 -4.470 -5.848 1.00 11.41 C ATOM 225 OG SER A 110 2.688 -5.719 -6.019 1.00 53.24 O ATOM 0 H SER A 110 3.796 -1.912 -5.832 1.00 54.22 H new ATOM 0 HA SER A 110 3.397 -3.943 -7.960 1.00 74.33 H new ATOM 0 HB2 SER A 110 4.416 -4.634 -5.759 1.00 11.41 H new ATOM 0 HB3 SER A 110 3.011 -4.014 -4.915 1.00 11.41 H new ATOM 0 HG SER A 110 2.891 -6.301 -5.257 1.00 53.24 H new ATOM 231 N GLN A 111 1.114 -2.019 -6.734 1.00 23.41 N ATOM 232 CA GLN A 111 -0.307 -1.580 -6.671 1.00 0.24 C ATOM 233 C GLN A 111 -1.053 -2.230 -5.488 1.00 55.55 C ATOM 234 O GLN A 111 -1.701 -1.526 -4.701 1.00 2.41 O ATOM 235 CB GLN A 111 -1.069 -1.758 -8.017 1.00 15.43 C ATOM 236 CG GLN A 111 -0.491 -0.912 -9.174 1.00 53.41 C ATOM 237 CD GLN A 111 -1.268 -1.041 -10.485 1.00 24.23 C ATOM 238 OE1 GLN A 111 -2.483 -1.250 -10.493 1.00 71.24 O ATOM 239 NE2 GLN A 111 -0.574 -0.920 -11.603 1.00 40.00 N ATOM 0 H GLN A 111 1.759 -1.298 -6.412 1.00 23.41 H new ATOM 0 HA GLN A 111 -0.283 -0.505 -6.490 1.00 0.24 H new ATOM 0 HB2 GLN A 111 -1.046 -2.810 -8.301 1.00 15.43 H new ATOM 0 HB3 GLN A 111 -2.115 -1.490 -7.870 1.00 15.43 H new ATOM 0 HG2 GLN A 111 -0.477 0.136 -8.873 1.00 53.41 H new ATOM 0 HG3 GLN A 111 0.544 -1.208 -9.346 1.00 53.41 H new ATOM 0 HE21 GLN A 111 0.430 -0.747 -11.564 1.00 40.00 H new ATOM 0 HE22 GLN A 111 -1.043 -0.999 -12.505 1.00 40.00 H new ATOM 248 N ALA A 112 -0.959 -3.566 -5.372 1.00 32.33 N ATOM 249 CA ALA A 112 -1.494 -4.322 -4.229 1.00 31.43 C ATOM 250 C ALA A 112 -0.692 -4.011 -2.947 1.00 51.12 C ATOM 251 O ALA A 112 0.548 -3.999 -2.966 1.00 71.05 O ATOM 252 CB ALA A 112 -1.465 -5.830 -4.538 1.00 62.44 C ATOM 0 H ALA A 112 -0.507 -4.154 -6.073 1.00 32.33 H new ATOM 0 HA ALA A 112 -2.527 -4.019 -4.060 1.00 31.43 H new ATOM 0 HB1 ALA A 112 -1.863 -6.383 -3.687 1.00 62.44 H new ATOM 0 HB2 ALA A 112 -2.074 -6.033 -5.419 1.00 62.44 H new ATOM 0 HB3 ALA A 112 -0.438 -6.143 -4.727 1.00 62.44 H new ATOM 258 N CYS A 113 -1.415 -3.753 -1.849 1.00 24.14 N ATOM 259 CA CYS A 113 -0.835 -3.471 -0.527 1.00 42.03 C ATOM 260 C CYS A 113 -1.320 -4.554 0.451 1.00 34.53 C ATOM 261 O CYS A 113 -2.526 -4.809 0.536 1.00 43.04 O ATOM 262 CB CYS A 113 -1.261 -2.052 -0.071 1.00 23.33 C ATOM 263 SG CYS A 113 -0.480 -1.455 1.466 1.00 53.14 S ATOM 0 H CYS A 113 -2.435 -3.734 -1.853 1.00 24.14 H new ATOM 0 HA CYS A 113 0.254 -3.492 -0.562 1.00 42.03 H new ATOM 0 HB2 CYS A 113 -1.033 -1.348 -0.871 1.00 23.33 H new ATOM 0 HB3 CYS A 113 -2.343 -2.042 0.064 1.00 23.33 H new ATOM 268 N SER A 114 -0.374 -5.180 1.178 1.00 40.22 N ATOM 269 CA SER A 114 -0.633 -6.356 2.041 1.00 5.11 C ATOM 270 C SER A 114 -1.647 -6.062 3.169 1.00 52.15 C ATOM 271 O SER A 114 -2.422 -6.944 3.558 1.00 10.24 O ATOM 272 CB SER A 114 0.703 -6.865 2.633 1.00 64.34 C ATOM 273 OG SER A 114 1.641 -7.158 1.605 1.00 64.10 O ATOM 0 H SER A 114 0.602 -4.883 1.185 1.00 40.22 H new ATOM 0 HA SER A 114 -1.083 -7.128 1.416 1.00 5.11 H new ATOM 0 HB2 SER A 114 1.117 -6.112 3.303 1.00 64.34 H new ATOM 0 HB3 SER A 114 0.522 -7.759 3.230 1.00 64.34 H new ATOM 0 HG SER A 114 2.477 -7.476 2.006 1.00 64.10 H new ATOM 279 N TYR A 115 -1.627 -4.821 3.688 1.00 2.04 N ATOM 280 CA TYR A 115 -2.543 -4.373 4.763 1.00 2.45 C ATOM 281 C TYR A 115 -3.816 -3.709 4.189 1.00 34.44 C ATOM 282 O TYR A 115 -4.834 -3.597 4.891 1.00 61.40 O ATOM 283 CB TYR A 115 -1.798 -3.403 5.713 1.00 44.31 C ATOM 284 CG TYR A 115 -0.624 -4.052 6.467 1.00 42.40 C ATOM 285 CD1 TYR A 115 -0.834 -4.746 7.663 1.00 70.23 C ATOM 286 CD2 TYR A 115 0.688 -3.980 5.983 1.00 61.32 C ATOM 287 CE1 TYR A 115 0.213 -5.337 8.343 1.00 43.13 C ATOM 288 CE2 TYR A 115 1.737 -4.570 6.663 1.00 62.20 C ATOM 289 CZ TYR A 115 1.495 -5.247 7.841 1.00 15.41 C ATOM 290 OH TYR A 115 2.539 -5.840 8.517 1.00 23.43 O ATOM 0 H TYR A 115 -0.978 -4.098 3.377 1.00 2.04 H new ATOM 0 HA TYR A 115 -2.864 -5.250 5.325 1.00 2.45 H new ATOM 0 HB2 TYR A 115 -1.424 -2.559 5.134 1.00 44.31 H new ATOM 0 HB3 TYR A 115 -2.507 -3.003 6.438 1.00 44.31 H new ATOM 0 HD1 TYR A 115 -1.834 -4.821 8.063 1.00 70.23 H new ATOM 0 HD2 TYR A 115 0.884 -3.453 5.061 1.00 61.32 H new ATOM 0 HE1 TYR A 115 0.029 -5.868 9.265 1.00 43.13 H new ATOM 0 HE2 TYR A 115 2.742 -4.501 6.274 1.00 62.20 H new ATOM 0 HH TYR A 115 3.375 -5.684 8.030 1.00 23.43 H new ATOM 300 N GLY A 116 -3.747 -3.283 2.910 1.00 43.31 N ATOM 301 CA GLY A 116 -4.875 -2.636 2.229 1.00 15.45 C ATOM 302 C GLY A 116 -5.170 -1.242 2.776 1.00 31.32 C ATOM 303 O GLY A 116 -4.287 -0.389 2.785 1.00 52.33 O ATOM 0 H GLY A 116 -2.914 -3.379 2.330 1.00 43.31 H new ATOM 0 HA2 GLY A 116 -4.659 -2.566 1.163 1.00 15.45 H new ATOM 0 HA3 GLY A 116 -5.763 -3.259 2.334 1.00 15.45 H new ATOM 307 N ASP A 117 -6.413 -1.020 3.244 1.00 52.32 N ATOM 308 CA ASP A 117 -6.841 0.263 3.857 1.00 72.34 C ATOM 309 C ASP A 117 -6.308 0.415 5.299 1.00 14.53 C ATOM 310 O ASP A 117 -6.367 1.510 5.873 1.00 71.13 O ATOM 311 CB ASP A 117 -8.389 0.396 3.831 1.00 25.43 C ATOM 312 CG ASP A 117 -8.958 0.507 2.405 1.00 31.14 C ATOM 313 OD1 ASP A 117 -9.259 -0.538 1.787 1.00 45.34 O ATOM 314 OD2 ASP A 117 -9.104 1.643 1.893 1.00 43.41 O ATOM 0 H ASP A 117 -7.153 -1.722 3.210 1.00 52.32 H new ATOM 0 HA ASP A 117 -6.411 1.068 3.261 1.00 72.34 H new ATOM 0 HB2 ASP A 117 -8.831 -0.468 4.327 1.00 25.43 H new ATOM 0 HB3 ASP A 117 -8.682 1.276 4.403 1.00 25.43 H new ATOM 319 N GLN A 118 -5.775 -0.686 5.871 1.00 51.11 N ATOM 320 CA GLN A 118 -5.124 -0.681 7.203 1.00 55.22 C ATOM 321 C GLN A 118 -3.603 -0.408 7.085 1.00 41.24 C ATOM 322 O GLN A 118 -2.859 -0.561 8.062 1.00 12.52 O ATOM 323 CB GLN A 118 -5.397 -2.032 7.925 1.00 63.42 C ATOM 324 CG GLN A 118 -6.897 -2.331 8.144 1.00 23.24 C ATOM 325 CD GLN A 118 -7.180 -3.619 8.926 1.00 10.45 C ATOM 326 OE1 GLN A 118 -6.416 -4.585 8.875 1.00 71.23 O ATOM 327 NE2 GLN A 118 -8.293 -3.645 9.642 1.00 34.53 N ATOM 0 H GLN A 118 -5.783 -1.603 5.425 1.00 51.11 H new ATOM 0 HA GLN A 118 -5.551 0.128 7.797 1.00 55.22 H new ATOM 0 HB2 GLN A 118 -4.957 -2.840 7.341 1.00 63.42 H new ATOM 0 HB3 GLN A 118 -4.893 -2.025 8.891 1.00 63.42 H new ATOM 0 HG2 GLN A 118 -7.348 -1.492 8.674 1.00 23.24 H new ATOM 0 HG3 GLN A 118 -7.387 -2.395 7.173 1.00 23.24 H new ATOM 0 HE21 GLN A 118 -8.905 -2.829 9.664 1.00 34.53 H new ATOM 0 HE22 GLN A 118 -8.539 -4.481 10.172 1.00 34.53 H new ATOM 336 N CYS A 119 -3.163 0.001 5.878 1.00 73.41 N ATOM 337 CA CYS A 119 -1.767 0.372 5.592 1.00 21.02 C ATOM 338 C CYS A 119 -1.390 1.673 6.319 1.00 23.31 C ATOM 339 O CYS A 119 -2.069 2.696 6.165 1.00 3.30 O ATOM 340 CB CYS A 119 -1.589 0.523 4.064 1.00 63.02 C ATOM 341 SG CYS A 119 0.035 1.118 3.497 1.00 25.12 S ATOM 0 H CYS A 119 -3.776 0.083 5.067 1.00 73.41 H new ATOM 0 HA CYS A 119 -1.102 -0.411 5.956 1.00 21.02 H new ATOM 0 HB2 CYS A 119 -1.780 -0.445 3.600 1.00 63.02 H new ATOM 0 HB3 CYS A 119 -2.352 1.209 3.697 1.00 63.02 H new ATOM 346 N ARG A 120 -0.295 1.620 7.105 1.00 51.23 N ATOM 347 CA ARG A 120 0.232 2.785 7.849 1.00 40.20 C ATOM 348 C ARG A 120 0.817 3.851 6.898 1.00 12.41 C ATOM 349 O ARG A 120 1.146 4.942 7.327 1.00 14.03 O ATOM 350 CB ARG A 120 1.308 2.335 8.881 1.00 60.10 C ATOM 351 CG ARG A 120 2.536 1.629 8.263 1.00 14.30 C ATOM 352 CD ARG A 120 3.578 1.175 9.302 1.00 72.11 C ATOM 353 NE ARG A 120 4.706 0.473 8.656 1.00 11.32 N ATOM 354 CZ ARG A 120 5.830 0.059 9.266 1.00 3.45 C ATOM 355 NH1 ARG A 120 6.012 0.247 10.568 1.00 11.14 N ATOM 356 NH2 ARG A 120 6.777 -0.539 8.553 1.00 44.34 N ATOM 0 H ARG A 120 0.250 0.769 7.242 1.00 51.23 H new ATOM 0 HA ARG A 120 -0.604 3.237 8.383 1.00 40.20 H new ATOM 0 HB2 ARG A 120 1.649 3.209 9.436 1.00 60.10 H new ATOM 0 HB3 ARG A 120 0.843 1.662 9.601 1.00 60.10 H new ATOM 0 HG2 ARG A 120 2.198 0.761 7.697 1.00 14.30 H new ATOM 0 HG3 ARG A 120 3.014 2.305 7.554 1.00 14.30 H new ATOM 0 HD2 ARG A 120 3.951 2.041 9.849 1.00 72.11 H new ATOM 0 HD3 ARG A 120 3.106 0.516 10.031 1.00 72.11 H new ATOM 0 HE ARG A 120 4.625 0.286 7.657 1.00 11.32 H new ATOM 0 HH11 ARG A 120 5.293 0.712 11.122 1.00 11.14 H new ATOM 0 HH12 ARG A 120 6.871 -0.074 11.014 1.00 11.14 H new ATOM 0 HH21 ARG A 120 6.648 -0.681 7.551 1.00 44.34 H new ATOM 0 HH22 ARG A 120 7.633 -0.857 9.007 1.00 44.34 H new ATOM 370 N PHE A 121 0.957 3.516 5.607 1.00 53.30 N ATOM 371 CA PHE A 121 1.461 4.442 4.581 1.00 22.33 C ATOM 372 C PHE A 121 0.311 4.966 3.699 1.00 32.23 C ATOM 373 O PHE A 121 -0.767 4.358 3.625 1.00 45.13 O ATOM 374 CB PHE A 121 2.536 3.750 3.722 1.00 71.45 C ATOM 375 CG PHE A 121 3.782 3.332 4.493 1.00 3.44 C ATOM 376 CD1 PHE A 121 4.720 4.285 4.884 1.00 73.11 C ATOM 377 CD2 PHE A 121 4.015 2.000 4.831 1.00 71.53 C ATOM 378 CE1 PHE A 121 5.846 3.921 5.591 1.00 61.30 C ATOM 379 CE2 PHE A 121 5.144 1.639 5.535 1.00 15.32 C ATOM 380 CZ PHE A 121 6.059 2.599 5.917 1.00 5.03 C ATOM 0 H PHE A 121 0.723 2.592 5.243 1.00 53.30 H new ATOM 0 HA PHE A 121 1.914 5.298 5.082 1.00 22.33 H new ATOM 0 HB2 PHE A 121 2.099 2.867 3.255 1.00 71.45 H new ATOM 0 HB3 PHE A 121 2.830 4.423 2.917 1.00 71.45 H new ATOM 0 HD1 PHE A 121 4.563 5.323 4.630 1.00 73.11 H new ATOM 0 HD2 PHE A 121 3.303 1.242 4.538 1.00 71.53 H new ATOM 0 HE1 PHE A 121 6.562 4.672 5.890 1.00 61.30 H new ATOM 0 HE2 PHE A 121 5.313 0.603 5.788 1.00 15.32 H new ATOM 0 HZ PHE A 121 6.941 2.314 6.471 1.00 5.03 H new ATOM 390 N ALA A 122 0.574 6.098 3.033 1.00 4.35 N ATOM 391 CA ALA A 122 -0.409 6.838 2.229 1.00 24.55 C ATOM 392 C ALA A 122 -0.554 6.241 0.817 1.00 24.14 C ATOM 393 O ALA A 122 0.446 5.989 0.137 1.00 64.31 O ATOM 394 CB ALA A 122 0.022 8.307 2.147 1.00 54.51 C ATOM 0 H ALA A 122 1.496 6.535 3.038 1.00 4.35 H new ATOM 0 HA ALA A 122 -1.384 6.762 2.711 1.00 24.55 H new ATOM 0 HB1 ALA A 122 -0.701 8.866 1.552 1.00 54.51 H new ATOM 0 HB2 ALA A 122 0.069 8.729 3.151 1.00 54.51 H new ATOM 0 HB3 ALA A 122 1.004 8.372 1.679 1.00 54.51 H new ATOM 400 N HIS A 123 -1.812 6.027 0.385 1.00 64.21 N ATOM 401 CA HIS A 123 -2.146 5.528 -0.971 1.00 40.04 C ATOM 402 C HIS A 123 -2.590 6.693 -1.889 1.00 21.32 C ATOM 403 O HIS A 123 -3.399 6.509 -2.807 1.00 34.10 O ATOM 404 CB HIS A 123 -3.259 4.437 -0.882 1.00 64.31 C ATOM 405 CG HIS A 123 -2.844 3.137 -0.232 1.00 73.20 C ATOM 406 ND1 HIS A 123 -3.618 2.003 -0.246 1.00 71.31 N ATOM 407 CD2 HIS A 123 -1.708 2.794 0.433 1.00 2.45 C ATOM 408 CE1 HIS A 123 -2.949 1.032 0.380 1.00 3.21 C ATOM 409 NE2 HIS A 123 -1.771 1.455 0.817 1.00 3.43 N ATOM 0 H HIS A 123 -2.632 6.195 0.967 1.00 64.21 H new ATOM 0 HA HIS A 123 -1.254 5.079 -1.407 1.00 40.04 H new ATOM 0 HB2 HIS A 123 -4.103 4.848 -0.327 1.00 64.31 H new ATOM 0 HB3 HIS A 123 -3.615 4.222 -1.890 1.00 64.31 H new ATOM 0 HD1 HIS A 123 -4.545 1.917 -0.663 1.00 71.31 H new ATOM 0 HD2 HIS A 123 -0.881 3.459 0.634 1.00 2.45 H new ATOM 0 HE1 HIS A 123 -3.321 0.027 0.514 1.00 3.21 H new ATOM 417 N GLY A 124 -2.029 7.885 -1.638 1.00 14.41 N ATOM 418 CA GLY A 124 -2.313 9.079 -2.434 1.00 4.12 C ATOM 419 C GLY A 124 -1.811 10.339 -1.754 1.00 31.14 C ATOM 420 O GLY A 124 -1.441 10.297 -0.577 1.00 64.24 O ATOM 0 H GLY A 124 -1.367 8.044 -0.878 1.00 14.41 H new ATOM 0 HA2 GLY A 124 -1.845 8.983 -3.414 1.00 4.12 H new ATOM 0 HA3 GLY A 124 -3.387 9.159 -2.600 1.00 4.12 H new ATOM 424 N VAL A 125 -1.809 11.462 -2.497 1.00 43.45 N ATOM 425 CA VAL A 125 -1.375 12.783 -1.983 1.00 51.43 C ATOM 426 C VAL A 125 -2.395 13.337 -0.956 1.00 61.30 C ATOM 427 O VAL A 125 -2.020 14.041 -0.012 1.00 13.05 O ATOM 428 CB VAL A 125 -1.150 13.810 -3.165 1.00 71.22 C ATOM 429 CG1 VAL A 125 -2.456 14.087 -3.952 1.00 31.03 C ATOM 430 CG2 VAL A 125 -0.501 15.128 -2.665 1.00 12.01 C ATOM 0 H VAL A 125 -2.108 11.483 -3.472 1.00 43.45 H new ATOM 0 HA VAL A 125 -0.421 12.647 -1.474 1.00 51.43 H new ATOM 0 HB VAL A 125 -0.451 13.342 -3.858 1.00 71.22 H new ATOM 0 HG11 VAL A 125 -2.254 14.797 -4.754 1.00 31.03 H new ATOM 0 HG12 VAL A 125 -2.829 13.155 -4.378 1.00 31.03 H new ATOM 0 HG13 VAL A 125 -3.205 14.503 -3.279 1.00 31.03 H new ATOM 0 HG21 VAL A 125 -0.363 15.807 -3.506 1.00 12.01 H new ATOM 0 HG22 VAL A 125 -1.150 15.595 -1.924 1.00 12.01 H new ATOM 0 HG23 VAL A 125 0.466 14.909 -2.213 1.00 12.01 H new ATOM 440 N HIS A 126 -3.681 12.976 -1.141 1.00 62.03 N ATOM 441 CA HIS A 126 -4.771 13.345 -0.212 1.00 45.22 C ATOM 442 C HIS A 126 -4.639 12.555 1.107 1.00 25.13 C ATOM 443 O HIS A 126 -4.945 13.066 2.193 1.00 63.05 O ATOM 444 CB HIS A 126 -6.149 13.094 -0.880 1.00 44.44 C ATOM 445 CG HIS A 126 -6.433 11.646 -1.224 1.00 62.25 C ATOM 446 ND1 HIS A 126 -5.670 10.964 -2.145 1.00 52.44 N ATOM 447 CD2 HIS A 126 -7.385 10.806 -0.739 1.00 33.30 C ATOM 448 CE1 HIS A 126 -6.170 9.740 -2.198 1.00 62.32 C ATOM 449 NE2 HIS A 126 -7.207 9.601 -1.365 1.00 74.33 N ATOM 0 H HIS A 126 -3.994 12.421 -1.937 1.00 62.03 H new ATOM 0 HA HIS A 126 -4.696 14.407 0.022 1.00 45.22 H new ATOM 0 HB2 HIS A 126 -6.932 13.455 -0.213 1.00 44.44 H new ATOM 0 HB3 HIS A 126 -6.209 13.688 -1.792 1.00 44.44 H new ATOM 0 HD2 HIS A 126 -8.137 11.043 -0.001 1.00 33.30 H new ATOM 0 HE1 HIS A 126 -5.789 8.954 -2.833 1.00 62.32 H new ATOM 0 HE2 HIS A 126 -7.761 8.756 -1.223 1.00 74.33 H new ATOM 457 N GLU A 127 -4.171 11.298 0.980 1.00 2.04 N ATOM 458 CA GLU A 127 -3.859 10.426 2.122 1.00 14.43 C ATOM 459 C GLU A 127 -2.542 10.849 2.785 1.00 61.20 C ATOM 460 O GLU A 127 -2.332 10.583 3.960 1.00 71.31 O ATOM 461 CB GLU A 127 -3.775 8.944 1.659 1.00 12.11 C ATOM 462 CG GLU A 127 -5.101 8.359 1.140 1.00 74.01 C ATOM 463 CD GLU A 127 -6.190 8.273 2.228 1.00 40.40 C ATOM 464 OE1 GLU A 127 -6.240 7.256 2.956 1.00 55.32 O ATOM 465 OE2 GLU A 127 -6.996 9.220 2.366 1.00 64.11 O ATOM 0 H GLU A 127 -3.999 10.859 0.075 1.00 2.04 H new ATOM 0 HA GLU A 127 -4.659 10.522 2.856 1.00 14.43 H new ATOM 0 HB2 GLU A 127 -3.025 8.865 0.872 1.00 12.11 H new ATOM 0 HB3 GLU A 127 -3.426 8.335 2.493 1.00 12.11 H new ATOM 0 HG2 GLU A 127 -5.465 8.974 0.317 1.00 74.01 H new ATOM 0 HG3 GLU A 127 -4.919 7.363 0.737 1.00 74.01 H new ATOM 472 N LEU A 128 -1.666 11.508 2.011 1.00 70.35 N ATOM 473 CA LEU A 128 -0.336 11.925 2.470 1.00 2.02 C ATOM 474 C LEU A 128 -0.425 13.217 3.299 1.00 43.42 C ATOM 475 O LEU A 128 -0.817 14.274 2.790 1.00 32.13 O ATOM 476 CB LEU A 128 0.602 12.110 1.243 1.00 71.11 C ATOM 477 CG LEU A 128 2.071 12.546 1.538 1.00 61.00 C ATOM 478 CD1 LEU A 128 2.799 11.537 2.457 1.00 33.14 C ATOM 479 CD2 LEU A 128 2.855 12.776 0.226 1.00 11.30 C ATOM 0 H LEU A 128 -1.863 11.767 1.044 1.00 70.35 H new ATOM 0 HA LEU A 128 0.078 11.151 3.115 1.00 2.02 H new ATOM 0 HB2 LEU A 128 0.631 11.169 0.693 1.00 71.11 H new ATOM 0 HB3 LEU A 128 0.154 12.852 0.582 1.00 71.11 H new ATOM 0 HG LEU A 128 2.027 13.493 2.075 1.00 61.00 H new ATOM 0 HD11 LEU A 128 3.818 11.879 2.637 1.00 33.14 H new ATOM 0 HD12 LEU A 128 2.269 11.461 3.406 1.00 33.14 H new ATOM 0 HD13 LEU A 128 2.824 10.559 1.976 1.00 33.14 H new ATOM 0 HD21 LEU A 128 3.875 13.079 0.460 1.00 11.30 H new ATOM 0 HD22 LEU A 128 2.874 11.853 -0.353 1.00 11.30 H new ATOM 0 HD23 LEU A 128 2.369 13.559 -0.356 1.00 11.30 H new ATOM 491 N ARG A 129 -0.117 13.091 4.599 1.00 74.42 N ATOM 492 CA ARG A 129 0.104 14.219 5.514 1.00 44.02 C ATOM 493 C ARG A 129 1.509 14.052 6.122 1.00 14.10 C ATOM 494 O ARG A 129 1.671 13.538 7.235 1.00 65.25 O ATOM 495 CB ARG A 129 -0.993 14.312 6.631 1.00 5.51 C ATOM 496 CG ARG A 129 -2.397 14.787 6.161 1.00 44.34 C ATOM 497 CD ARG A 129 -3.224 13.712 5.427 1.00 14.21 C ATOM 498 NE ARG A 129 -3.579 12.576 6.303 1.00 72.22 N ATOM 499 CZ ARG A 129 -4.530 11.660 6.043 1.00 15.31 C ATOM 500 NH1 ARG A 129 -5.256 11.713 4.929 1.00 15.42 N ATOM 501 NH2 ARG A 129 -4.742 10.680 6.904 1.00 74.04 N ATOM 0 H ARG A 129 -0.013 12.183 5.052 1.00 74.42 H new ATOM 0 HA ARG A 129 0.032 15.155 4.959 1.00 44.02 H new ATOM 0 HB2 ARG A 129 -1.098 13.331 7.094 1.00 5.51 H new ATOM 0 HB3 ARG A 129 -0.640 14.993 7.405 1.00 5.51 H new ATOM 0 HG2 ARG A 129 -2.960 15.130 7.029 1.00 44.34 H new ATOM 0 HG3 ARG A 129 -2.274 15.646 5.501 1.00 44.34 H new ATOM 0 HD2 ARG A 129 -4.136 14.164 5.036 1.00 14.21 H new ATOM 0 HD3 ARG A 129 -2.658 13.344 4.571 1.00 14.21 H new ATOM 0 HE ARG A 129 -3.061 12.478 7.176 1.00 72.22 H new ATOM 0 HH11 ARG A 129 -5.097 12.459 4.252 1.00 15.42 H new ATOM 0 HH12 ARG A 129 -5.972 11.008 4.753 1.00 15.42 H new ATOM 0 HH21 ARG A 129 -4.187 10.622 7.758 1.00 74.04 H new ATOM 0 HH22 ARG A 129 -5.461 9.982 6.715 1.00 74.04 H new ATOM 515 N LEU A 130 2.532 14.430 5.337 1.00 4.20 N ATOM 516 CA LEU A 130 3.952 14.315 5.740 1.00 40.54 C ATOM 517 C LEU A 130 4.330 15.395 6.791 1.00 31.10 C ATOM 518 O LEU A 130 3.593 16.380 6.940 1.00 21.31 O ATOM 519 CB LEU A 130 4.876 14.347 4.467 1.00 50.23 C ATOM 520 CG LEU A 130 4.636 15.475 3.392 1.00 24.01 C ATOM 521 CD1 LEU A 130 5.049 16.884 3.882 1.00 75.15 C ATOM 522 CD2 LEU A 130 5.342 15.124 2.060 1.00 61.24 C ATOM 0 H LEU A 130 2.403 14.824 4.405 1.00 4.20 H new ATOM 0 HA LEU A 130 4.108 13.354 6.230 1.00 40.54 H new ATOM 0 HB2 LEU A 130 5.908 14.428 4.808 1.00 50.23 H new ATOM 0 HB3 LEU A 130 4.781 13.384 3.964 1.00 50.23 H new ATOM 0 HG LEU A 130 3.560 15.514 3.222 1.00 24.01 H new ATOM 0 HD11 LEU A 130 4.858 17.613 3.095 1.00 75.15 H new ATOM 0 HD12 LEU A 130 4.470 17.146 4.767 1.00 75.15 H new ATOM 0 HD13 LEU A 130 6.111 16.887 4.129 1.00 75.15 H new ATOM 0 HD21 LEU A 130 5.163 15.916 1.333 1.00 61.24 H new ATOM 0 HD22 LEU A 130 6.414 15.025 2.231 1.00 61.24 H new ATOM 0 HD23 LEU A 130 4.947 14.183 1.676 1.00 61.24 H new ATOM 534 N PRO A 131 5.452 15.203 7.575 1.00 30.35 N ATOM 535 CA PRO A 131 5.994 16.263 8.462 1.00 53.43 C ATOM 536 C PRO A 131 6.312 17.545 7.663 1.00 40.30 C ATOM 537 O PRO A 131 7.263 17.577 6.869 1.00 4.24 O ATOM 538 CB PRO A 131 7.269 15.616 9.071 1.00 64.10 C ATOM 539 CG PRO A 131 7.017 14.142 8.981 1.00 20.33 C ATOM 540 CD PRO A 131 6.242 13.945 7.697 1.00 13.34 C ATOM 0 HA PRO A 131 5.291 16.582 9.231 1.00 53.43 H new ATOM 0 HB2 PRO A 131 8.163 15.901 8.516 1.00 64.10 H new ATOM 0 HB3 PRO A 131 7.420 15.931 10.103 1.00 64.10 H new ATOM 0 HG2 PRO A 131 7.953 13.584 8.965 1.00 20.33 H new ATOM 0 HG3 PRO A 131 6.449 13.787 9.841 1.00 20.33 H new ATOM 0 HD2 PRO A 131 6.906 13.803 6.844 1.00 13.34 H new ATOM 0 HD3 PRO A 131 5.596 13.068 7.748 1.00 13.34 H new ATOM 548 N MET A 132 5.464 18.568 7.853 1.00 41.11 N ATOM 549 CA MET A 132 5.487 19.807 7.061 1.00 55.35 C ATOM 550 C MET A 132 6.722 20.658 7.414 1.00 12.23 C ATOM 551 O MET A 132 6.730 21.373 8.425 1.00 53.13 O ATOM 552 CB MET A 132 4.174 20.611 7.288 1.00 61.32 C ATOM 553 CG MET A 132 2.887 19.810 7.029 1.00 42.11 C ATOM 554 SD MET A 132 2.823 19.115 5.362 1.00 20.43 S ATOM 555 CE MET A 132 1.260 18.236 5.383 1.00 54.42 C ATOM 0 H MET A 132 4.736 18.558 8.568 1.00 41.11 H new ATOM 0 HA MET A 132 5.554 19.545 6.005 1.00 55.35 H new ATOM 0 HB2 MET A 132 4.159 20.977 8.314 1.00 61.32 H new ATOM 0 HB3 MET A 132 4.181 21.486 6.637 1.00 61.32 H new ATOM 0 HG2 MET A 132 2.813 19.003 7.758 1.00 42.11 H new ATOM 0 HG3 MET A 132 2.024 20.458 7.182 1.00 42.11 H new ATOM 0 HE1 MET A 132 1.097 17.761 4.416 1.00 54.42 H new ATOM 0 HE2 MET A 132 1.281 17.474 6.162 1.00 54.42 H new ATOM 0 HE3 MET A 132 0.451 18.938 5.584 1.00 54.42 H new ATOM 565 N ASN A 133 7.783 20.514 6.604 1.00 41.21 N ATOM 566 CA ASN A 133 9.009 21.324 6.723 1.00 72.11 C ATOM 567 C ASN A 133 8.773 22.719 6.092 1.00 51.13 C ATOM 568 O ASN A 133 8.081 22.807 5.069 1.00 53.44 O ATOM 569 CB ASN A 133 10.224 20.607 6.048 1.00 13.43 C ATOM 570 CG ASN A 133 10.069 20.356 4.537 1.00 43.11 C ATOM 571 OD1 ASN A 133 8.968 20.126 4.033 1.00 74.21 O ATOM 572 ND2 ASN A 133 11.173 20.384 3.805 1.00 22.01 N ATOM 0 H ASN A 133 7.816 19.832 5.846 1.00 41.21 H new ATOM 0 HA ASN A 133 9.247 21.447 7.780 1.00 72.11 H new ATOM 0 HB2 ASN A 133 11.119 21.207 6.212 1.00 13.43 H new ATOM 0 HB3 ASN A 133 10.386 19.651 6.546 1.00 13.43 H new ATOM 0 HD21 ASN A 133 11.123 20.213 2.801 1.00 22.01 H new ATOM 0 HD22 ASN A 133 12.072 20.577 4.246 1.00 22.01 H new ATOM 579 N PRO A 134 9.306 23.829 6.708 1.00 41.12 N ATOM 580 CA PRO A 134 9.177 25.207 6.155 1.00 32.05 C ATOM 581 C PRO A 134 9.595 25.319 4.666 1.00 22.31 C ATOM 582 O PRO A 134 10.652 24.810 4.264 1.00 3.33 O ATOM 583 CB PRO A 134 10.116 26.038 7.063 1.00 55.33 C ATOM 584 CG PRO A 134 10.105 25.310 8.373 1.00 32.12 C ATOM 585 CD PRO A 134 10.033 23.839 8.014 1.00 52.14 C ATOM 0 HA PRO A 134 8.141 25.547 6.158 1.00 32.05 H new ATOM 0 HB2 PRO A 134 11.122 26.095 6.648 1.00 55.33 H new ATOM 0 HB3 PRO A 134 9.758 27.062 7.174 1.00 55.33 H new ATOM 0 HG2 PRO A 134 11.002 25.530 8.952 1.00 32.12 H new ATOM 0 HG3 PRO A 134 9.251 25.608 8.981 1.00 32.12 H new ATOM 0 HD2 PRO A 134 11.026 23.400 7.923 1.00 52.14 H new ATOM 0 HD3 PRO A 134 9.500 23.267 8.774 1.00 52.14 H new ATOM 593 N ARG A 135 8.735 25.969 3.863 1.00 11.33 N ATOM 594 CA ARG A 135 8.965 26.203 2.419 1.00 33.40 C ATOM 595 C ARG A 135 9.766 27.499 2.181 1.00 45.43 C ATOM 596 O ARG A 135 10.069 27.835 1.028 1.00 42.45 O ATOM 597 CB ARG A 135 7.605 26.275 1.673 1.00 71.30 C ATOM 598 CG ARG A 135 6.769 24.974 1.706 1.00 73.32 C ATOM 599 CD ARG A 135 5.394 25.152 1.035 1.00 21.34 C ATOM 600 NE ARG A 135 4.598 23.908 1.012 1.00 33.02 N ATOM 601 CZ ARG A 135 3.264 23.848 0.821 1.00 44.32 C ATOM 602 NH1 ARG A 135 2.545 24.955 0.646 1.00 25.13 N ATOM 603 NH2 ARG A 135 2.658 22.670 0.794 1.00 71.41 N ATOM 0 H ARG A 135 7.851 26.352 4.197 1.00 11.33 H new ATOM 0 HA ARG A 135 9.550 25.370 2.030 1.00 33.40 H new ATOM 0 HB2 ARG A 135 7.012 27.080 2.107 1.00 71.30 H new ATOM 0 HB3 ARG A 135 7.792 26.542 0.633 1.00 71.30 H new ATOM 0 HG2 ARG A 135 7.318 24.178 1.202 1.00 73.32 H new ATOM 0 HG3 ARG A 135 6.629 24.659 2.740 1.00 73.32 H new ATOM 0 HD2 ARG A 135 4.835 25.925 1.563 1.00 21.34 H new ATOM 0 HD3 ARG A 135 5.537 25.504 0.013 1.00 21.34 H new ATOM 0 HE ARG A 135 5.094 23.028 1.151 1.00 33.02 H new ATOM 0 HH11 ARG A 135 3.002 25.867 0.655 1.00 25.13 H new ATOM 0 HH12 ARG A 135 1.537 24.891 0.503 1.00 25.13 H new ATOM 0 HH21 ARG A 135 3.200 21.815 0.917 1.00 71.41 H new ATOM 0 HH22 ARG A 135 1.650 22.618 0.650 1.00 71.41 H new ATOM 617 N GLY A 136 10.080 28.222 3.280 1.00 52.42 N ATOM 618 CA GLY A 136 10.844 29.466 3.229 1.00 75.22 C ATOM 619 C GLY A 136 12.306 29.247 2.852 1.00 55.25 C ATOM 620 O GLY A 136 13.191 29.232 3.720 1.00 71.25 O ATOM 0 H GLY A 136 9.805 27.949 4.224 1.00 52.42 H new ATOM 0 HA2 GLY A 136 10.384 30.140 2.506 1.00 75.22 H new ATOM 0 HA3 GLY A 136 10.794 29.958 4.200 1.00 75.22 H new ATOM 624 N ARG A 137 12.547 29.075 1.546 1.00 71.00 N ATOM 625 CA ARG A 137 13.880 28.777 0.990 1.00 72.32 C ATOM 626 C ARG A 137 14.162 29.690 -0.218 1.00 5.21 C ATOM 627 O ARG A 137 15.314 30.058 -0.473 1.00 64.12 O ATOM 628 CB ARG A 137 13.956 27.274 0.586 1.00 22.04 C ATOM 629 CG ARG A 137 15.368 26.738 0.223 1.00 75.21 C ATOM 630 CD ARG A 137 16.309 26.590 1.443 1.00 32.51 C ATOM 631 NE ARG A 137 16.705 27.890 2.038 1.00 22.44 N ATOM 632 CZ ARG A 137 16.689 28.189 3.352 1.00 31.00 C ATOM 633 NH1 ARG A 137 16.293 27.295 4.254 1.00 32.21 N ATOM 634 NH2 ARG A 137 17.068 29.391 3.753 1.00 60.31 N ATOM 0 H ARG A 137 11.817 29.139 0.836 1.00 71.00 H new ATOM 0 HA ARG A 137 14.642 28.969 1.746 1.00 72.32 H new ATOM 0 HB2 ARG A 137 13.563 26.677 1.408 1.00 22.04 H new ATOM 0 HB3 ARG A 137 13.298 27.114 -0.268 1.00 22.04 H new ATOM 0 HG2 ARG A 137 15.265 25.769 -0.265 1.00 75.21 H new ATOM 0 HG3 ARG A 137 15.828 27.412 -0.500 1.00 75.21 H new ATOM 0 HD2 ARG A 137 15.815 25.985 2.203 1.00 32.51 H new ATOM 0 HD3 ARG A 137 17.205 26.049 1.139 1.00 32.51 H new ATOM 0 HE ARG A 137 17.016 28.620 1.398 1.00 22.44 H new ATOM 0 HH11 ARG A 137 15.995 26.366 3.955 1.00 32.21 H new ATOM 0 HH12 ARG A 137 16.287 27.538 5.245 1.00 32.21 H new ATOM 0 HH21 ARG A 137 17.370 30.085 3.069 1.00 60.31 H new ATOM 0 HH22 ARG A 137 17.058 29.624 4.746 1.00 60.31 H new ATOM 648 N ASN A 138 13.083 30.055 -0.941 1.00 53.03 N ATOM 649 CA ASN A 138 13.141 30.943 -2.126 1.00 61.55 C ATOM 650 C ASN A 138 13.573 32.372 -1.725 1.00 22.23 C ATOM 651 O ASN A 138 13.301 32.816 -0.606 1.00 70.40 O ATOM 652 CB ASN A 138 11.752 30.970 -2.826 1.00 72.12 C ATOM 653 CG ASN A 138 11.687 31.835 -4.096 1.00 61.22 C ATOM 654 OD1 ASN A 138 12.653 31.944 -4.853 1.00 15.03 O ATOM 655 ND2 ASN A 138 10.545 32.464 -4.331 1.00 25.41 N ATOM 0 H ASN A 138 12.138 29.740 -0.719 1.00 53.03 H new ATOM 0 HA ASN A 138 13.885 30.552 -2.820 1.00 61.55 H new ATOM 0 HB2 ASN A 138 11.471 29.949 -3.084 1.00 72.12 H new ATOM 0 HB3 ASN A 138 11.010 31.335 -2.116 1.00 72.12 H new ATOM 0 HD21 ASN A 138 10.449 33.057 -5.156 1.00 25.41 H new ATOM 0 HD22 ASN A 138 9.761 32.356 -3.687 1.00 25.41 H new ATOM 662 N HIS A 139 14.248 33.064 -2.657 1.00 33.25 N ATOM 663 CA HIS A 139 14.758 34.435 -2.466 1.00 72.40 C ATOM 664 C HIS A 139 13.595 35.467 -2.501 1.00 11.21 C ATOM 665 O HIS A 139 12.973 35.646 -3.554 1.00 42.02 O ATOM 666 CB HIS A 139 15.800 34.737 -3.577 1.00 74.13 C ATOM 667 CG HIS A 139 16.428 36.109 -3.516 1.00 21.31 C ATOM 668 ND1 HIS A 139 16.201 37.051 -4.493 1.00 44.11 N ATOM 669 CD2 HIS A 139 17.295 36.620 -2.608 1.00 12.22 C ATOM 670 CE1 HIS A 139 16.930 38.099 -4.162 1.00 22.33 C ATOM 671 NE2 HIS A 139 17.609 37.886 -3.028 1.00 11.40 N ATOM 0 H HIS A 139 14.459 32.682 -3.579 1.00 33.25 H new ATOM 0 HA HIS A 139 15.234 34.515 -1.489 1.00 72.40 H new ATOM 0 HB2 HIS A 139 16.592 33.990 -3.522 1.00 74.13 H new ATOM 0 HB3 HIS A 139 15.317 34.619 -4.547 1.00 74.13 H new ATOM 0 HD2 HIS A 139 17.667 36.125 -1.723 1.00 12.22 H new ATOM 0 HE1 HIS A 139 16.974 39.014 -4.734 1.00 22.33 H new ATOM 0 HE2 HIS A 139 18.239 38.541 -2.565 1.00 11.40 H new ATOM 679 N PRO A 140 13.259 36.139 -1.347 1.00 72.04 N ATOM 680 CA PRO A 140 12.217 37.178 -1.288 1.00 22.14 C ATOM 681 C PRO A 140 12.817 38.603 -1.426 1.00 21.32 C ATOM 682 O PRO A 140 13.360 39.165 -0.465 1.00 14.44 O ATOM 683 CB PRO A 140 11.594 36.921 0.110 1.00 45.34 C ATOM 684 CG PRO A 140 12.703 36.309 0.953 1.00 44.41 C ATOM 685 CD PRO A 140 13.847 35.939 0.004 1.00 13.22 C ATOM 0 HA PRO A 140 11.490 37.129 -2.098 1.00 22.14 H new ATOM 0 HB2 PRO A 140 11.233 37.849 0.553 1.00 45.34 H new ATOM 0 HB3 PRO A 140 10.740 36.248 0.039 1.00 45.34 H new ATOM 0 HG2 PRO A 140 13.045 37.016 1.709 1.00 44.41 H new ATOM 0 HG3 PRO A 140 12.342 35.427 1.481 1.00 44.41 H new ATOM 0 HD2 PRO A 140 14.719 36.575 0.160 1.00 13.22 H new ATOM 0 HD3 PRO A 140 14.173 34.909 0.151 1.00 13.22 H new ATOM 693 N LYS A 141 12.742 39.176 -2.640 1.00 74.11 N ATOM 694 CA LYS A 141 13.364 40.483 -2.938 1.00 14.32 C ATOM 695 C LYS A 141 12.382 41.663 -2.729 1.00 43.13 C ATOM 696 O LYS A 141 11.358 41.782 -3.416 1.00 23.11 O ATOM 697 CB LYS A 141 13.974 40.508 -4.372 1.00 0.22 C ATOM 698 CG LYS A 141 13.047 40.025 -5.515 1.00 22.22 C ATOM 699 CD LYS A 141 13.613 40.342 -6.925 1.00 32.34 C ATOM 700 CE LYS A 141 15.061 39.853 -7.136 1.00 1.03 C ATOM 701 NZ LYS A 141 15.579 40.209 -8.484 1.00 10.43 N ATOM 0 H LYS A 141 12.257 38.756 -3.433 1.00 74.11 H new ATOM 0 HA LYS A 141 14.176 40.614 -2.223 1.00 14.32 H new ATOM 0 HB2 LYS A 141 14.289 41.528 -4.593 1.00 0.22 H new ATOM 0 HB3 LYS A 141 14.872 39.890 -4.374 1.00 0.22 H new ATOM 0 HG2 LYS A 141 12.895 38.950 -5.423 1.00 22.22 H new ATOM 0 HG3 LYS A 141 12.070 40.495 -5.407 1.00 22.22 H new ATOM 0 HD2 LYS A 141 12.971 39.883 -7.676 1.00 32.34 H new ATOM 0 HD3 LYS A 141 13.575 41.419 -7.088 1.00 32.34 H new ATOM 0 HE2 LYS A 141 15.706 40.289 -6.373 1.00 1.03 H new ATOM 0 HE3 LYS A 141 15.101 38.771 -7.006 1.00 1.03 H new ATOM 0 HZ1 LYS A 141 16.554 39.862 -8.584 1.00 10.43 H new ATOM 0 HZ2 LYS A 141 14.980 39.772 -9.213 1.00 10.43 H new ATOM 0 HZ3 LYS A 141 15.566 41.243 -8.599 1.00 10.43 H new ATOM 715 N TYR A 142 12.696 42.498 -1.723 1.00 62.05 N ATOM 716 CA TYR A 142 12.132 43.852 -1.570 1.00 71.40 C ATOM 717 C TYR A 142 12.798 44.763 -2.617 1.00 74.43 C ATOM 718 O TYR A 142 12.130 45.539 -3.316 1.00 43.03 O ATOM 719 CB TYR A 142 12.398 44.371 -0.126 1.00 44.20 C ATOM 720 CG TYR A 142 11.878 45.796 0.179 1.00 20.14 C ATOM 721 CD1 TYR A 142 12.638 46.935 -0.130 1.00 34.14 C ATOM 722 CD2 TYR A 142 10.638 45.998 0.786 1.00 11.04 C ATOM 723 CE1 TYR A 142 12.183 48.204 0.154 1.00 70.31 C ATOM 724 CE2 TYR A 142 10.180 47.270 1.068 1.00 34.43 C ATOM 725 CZ TYR A 142 10.954 48.368 0.752 1.00 52.33 C ATOM 726 OH TYR A 142 10.498 49.635 1.045 1.00 24.24 O ATOM 0 H TYR A 142 13.355 42.250 -0.985 1.00 62.05 H new ATOM 0 HA TYR A 142 11.053 43.844 -1.727 1.00 71.40 H new ATOM 0 HB2 TYR A 142 11.940 43.678 0.580 1.00 44.20 H new ATOM 0 HB3 TYR A 142 13.472 44.349 0.057 1.00 44.20 H new ATOM 0 HD1 TYR A 142 13.602 46.814 -0.601 1.00 34.14 H new ATOM 0 HD2 TYR A 142 10.026 45.145 1.040 1.00 11.04 H new ATOM 0 HE1 TYR A 142 12.787 49.065 -0.091 1.00 70.31 H new ATOM 0 HE2 TYR A 142 9.216 47.405 1.536 1.00 34.43 H new ATOM 0 HH TYR A 142 9.614 49.576 1.464 1.00 24.24 H new ATOM 736 N LYS A 143 14.137 44.650 -2.691 1.00 41.41 N ATOM 737 CA LYS A 143 14.961 45.332 -3.694 1.00 24.22 C ATOM 738 C LYS A 143 14.961 44.471 -4.974 1.00 3.30 C ATOM 739 O LYS A 143 15.528 43.372 -4.978 1.00 41.23 O ATOM 740 CB LYS A 143 16.418 45.550 -3.180 1.00 24.12 C ATOM 741 CG LYS A 143 16.592 46.459 -1.928 1.00 73.53 C ATOM 742 CD LYS A 143 16.197 45.770 -0.599 1.00 4.40 C ATOM 743 CE LYS A 143 16.563 46.597 0.645 1.00 20.31 C ATOM 744 NZ LYS A 143 15.889 47.921 0.684 1.00 50.04 N ATOM 0 H LYS A 143 14.679 44.075 -2.046 1.00 41.41 H new ATOM 0 HA LYS A 143 14.546 46.319 -3.899 1.00 24.22 H new ATOM 0 HB2 LYS A 143 16.848 44.574 -2.954 1.00 24.12 H new ATOM 0 HB3 LYS A 143 17.005 45.976 -3.994 1.00 24.12 H new ATOM 0 HG2 LYS A 143 17.632 46.781 -1.865 1.00 73.53 H new ATOM 0 HG3 LYS A 143 15.987 47.357 -2.055 1.00 73.53 H new ATOM 0 HD2 LYS A 143 15.123 45.583 -0.600 1.00 4.40 H new ATOM 0 HD3 LYS A 143 16.690 44.800 -0.540 1.00 4.40 H new ATOM 0 HE2 LYS A 143 16.297 46.034 1.539 1.00 20.31 H new ATOM 0 HE3 LYS A 143 17.643 46.745 0.671 1.00 20.31 H new ATOM 0 HZ1 LYS A 143 16.251 48.471 1.489 1.00 50.04 H new ATOM 0 HZ2 LYS A 143 16.080 48.434 -0.200 1.00 50.04 H new ATOM 0 HZ3 LYS A 143 14.863 47.785 0.791 1.00 50.04 H new ATOM 758 N THR A 144 14.310 44.957 -6.045 1.00 63.35 N ATOM 759 CA THR A 144 14.021 44.141 -7.244 1.00 2.22 C ATOM 760 C THR A 144 14.961 44.483 -8.426 1.00 5.32 C ATOM 761 O THR A 144 15.699 43.614 -8.911 1.00 63.10 O ATOM 762 CB THR A 144 12.517 44.304 -7.646 1.00 42.24 C ATOM 763 OG1 THR A 144 12.230 45.685 -7.924 1.00 34.44 O ATOM 764 CG2 THR A 144 11.578 43.804 -6.523 1.00 0.40 C ATOM 0 H THR A 144 13.971 45.917 -6.107 1.00 63.35 H new ATOM 0 HA THR A 144 14.210 43.097 -6.995 1.00 2.22 H new ATOM 0 HB THR A 144 12.343 43.702 -8.538 1.00 42.24 H new ATOM 0 HG1 THR A 144 11.288 45.779 -8.176 1.00 34.44 H new ATOM 0 HG21 THR A 144 10.541 43.931 -6.833 1.00 0.40 H new ATOM 0 HG22 THR A 144 11.772 42.749 -6.329 1.00 0.40 H new ATOM 0 HG23 THR A 144 11.758 44.379 -5.615 1.00 0.40 H new ATOM 772 N VAL A 145 14.918 45.748 -8.880 1.00 42.14 N ATOM 773 CA VAL A 145 15.771 46.270 -9.981 1.00 12.31 C ATOM 774 C VAL A 145 16.989 46.985 -9.363 1.00 14.11 C ATOM 775 O VAL A 145 16.899 47.425 -8.235 1.00 24.41 O ATOM 776 CB VAL A 145 14.945 47.263 -10.894 1.00 43.23 C ATOM 777 CG1 VAL A 145 15.770 47.792 -12.097 1.00 14.35 C ATOM 778 CG2 VAL A 145 13.630 46.602 -11.373 1.00 30.13 C ATOM 0 H VAL A 145 14.286 46.450 -8.494 1.00 42.14 H new ATOM 0 HA VAL A 145 16.111 45.446 -10.608 1.00 12.31 H new ATOM 0 HB VAL A 145 14.697 48.128 -10.279 1.00 43.23 H new ATOM 0 HG11 VAL A 145 15.155 48.469 -12.690 1.00 14.35 H new ATOM 0 HG12 VAL A 145 16.647 48.325 -11.730 1.00 14.35 H new ATOM 0 HG13 VAL A 145 16.088 46.954 -12.717 1.00 14.35 H new ATOM 0 HG21 VAL A 145 13.078 47.303 -11.999 1.00 30.13 H new ATOM 0 HG22 VAL A 145 13.862 45.706 -11.948 1.00 30.13 H new ATOM 0 HG23 VAL A 145 13.023 46.331 -10.509 1.00 30.13 H new ATOM 788 N LEU A 146 18.120 47.088 -10.096 1.00 2.23 N ATOM 789 CA LEU A 146 19.350 47.757 -9.589 1.00 64.12 C ATOM 790 C LEU A 146 19.128 49.272 -9.355 1.00 73.25 C ATOM 791 O LEU A 146 18.305 49.903 -10.029 1.00 12.01 O ATOM 792 CB LEU A 146 20.540 47.530 -10.566 1.00 70.42 C ATOM 793 CG LEU A 146 20.959 46.042 -10.804 1.00 22.14 C ATOM 794 CD1 LEU A 146 22.164 45.933 -11.761 1.00 22.21 C ATOM 795 CD2 LEU A 146 21.238 45.315 -9.472 1.00 32.30 C ATOM 0 H LEU A 146 18.211 46.718 -11.042 1.00 2.23 H new ATOM 0 HA LEU A 146 19.591 47.306 -8.626 1.00 64.12 H new ATOM 0 HB2 LEU A 146 20.283 47.973 -11.528 1.00 70.42 H new ATOM 0 HB3 LEU A 146 21.405 48.074 -10.186 1.00 70.42 H new ATOM 0 HG LEU A 146 20.116 45.545 -11.284 1.00 22.14 H new ATOM 0 HD11 LEU A 146 22.424 44.884 -11.900 1.00 22.21 H new ATOM 0 HD12 LEU A 146 21.905 46.374 -12.724 1.00 22.21 H new ATOM 0 HD13 LEU A 146 23.015 46.464 -11.336 1.00 22.21 H new ATOM 0 HD21 LEU A 146 21.527 44.283 -9.674 1.00 32.30 H new ATOM 0 HD22 LEU A 146 22.046 45.821 -8.944 1.00 32.30 H new ATOM 0 HD23 LEU A 146 20.339 45.326 -8.856 1.00 32.30 H new ATOM 807 N CYS A 147 19.881 49.838 -8.390 1.00 33.21 N ATOM 808 CA CYS A 147 19.754 51.249 -7.976 1.00 61.44 C ATOM 809 C CYS A 147 20.663 52.120 -8.865 1.00 52.13 C ATOM 810 O CYS A 147 21.896 52.014 -8.786 1.00 13.22 O ATOM 811 CB CYS A 147 20.134 51.359 -6.469 1.00 40.10 C ATOM 812 SG CYS A 147 19.626 52.895 -5.612 1.00 2.05 S ATOM 0 H CYS A 147 20.597 49.326 -7.874 1.00 33.21 H new ATOM 0 HA CYS A 147 18.731 51.605 -8.098 1.00 61.44 H new ATOM 0 HB2 CYS A 147 19.693 50.512 -5.943 1.00 40.10 H new ATOM 0 HB3 CYS A 147 21.216 51.261 -6.381 1.00 40.10 H new ATOM 817 N ASP A 148 20.044 52.983 -9.697 1.00 54.34 N ATOM 818 CA ASP A 148 20.765 53.803 -10.698 1.00 74.54 C ATOM 819 C ASP A 148 21.507 54.970 -10.026 1.00 30.31 C ATOM 820 O ASP A 148 22.623 55.304 -10.419 1.00 43.43 O ATOM 821 CB ASP A 148 19.799 54.323 -11.805 1.00 34.23 C ATOM 822 CG ASP A 148 18.693 55.265 -11.285 1.00 10.54 C ATOM 823 OD1 ASP A 148 18.814 56.501 -11.429 1.00 2.23 O ATOM 824 OD2 ASP A 148 17.696 54.767 -10.720 1.00 33.35 O ATOM 0 H ASP A 148 19.035 53.132 -9.696 1.00 54.34 H new ATOM 0 HA ASP A 148 21.506 53.163 -11.176 1.00 74.54 H new ATOM 0 HB2 ASP A 148 20.381 54.847 -12.563 1.00 34.23 H new ATOM 0 HB3 ASP A 148 19.333 53.469 -12.296 1.00 34.23 H new ATOM 829 N LYS A 149 20.880 55.564 -8.995 1.00 0.42 N ATOM 830 CA LYS A 149 21.466 56.672 -8.214 1.00 32.41 C ATOM 831 C LYS A 149 22.725 56.205 -7.468 1.00 61.33 C ATOM 832 O LYS A 149 23.749 56.895 -7.454 1.00 10.15 O ATOM 833 CB LYS A 149 20.411 57.236 -7.224 1.00 35.12 C ATOM 834 CG LYS A 149 19.164 57.839 -7.911 1.00 74.21 C ATOM 835 CD LYS A 149 19.504 59.053 -8.814 1.00 3.10 C ATOM 836 CE LYS A 149 18.282 59.597 -9.573 1.00 35.31 C ATOM 837 NZ LYS A 149 17.193 60.024 -8.656 1.00 62.23 N ATOM 0 H LYS A 149 19.950 55.290 -8.678 1.00 0.42 H new ATOM 0 HA LYS A 149 21.761 57.467 -8.898 1.00 32.41 H new ATOM 0 HB2 LYS A 149 20.093 56.437 -6.554 1.00 35.12 H new ATOM 0 HB3 LYS A 149 20.880 58.003 -6.607 1.00 35.12 H new ATOM 0 HG2 LYS A 149 18.678 57.070 -8.512 1.00 74.21 H new ATOM 0 HG3 LYS A 149 18.449 58.148 -7.149 1.00 74.21 H new ATOM 0 HD2 LYS A 149 19.927 59.848 -8.200 1.00 3.10 H new ATOM 0 HD3 LYS A 149 20.271 58.762 -9.532 1.00 3.10 H new ATOM 0 HE2 LYS A 149 18.587 60.442 -10.190 1.00 35.31 H new ATOM 0 HE3 LYS A 149 17.905 58.829 -10.248 1.00 35.31 H new ATOM 0 HZ1 LYS A 149 16.427 60.461 -9.207 1.00 62.23 H new ATOM 0 HZ2 LYS A 149 16.824 59.196 -8.146 1.00 62.23 H new ATOM 0 HZ3 LYS A 149 17.565 60.714 -7.973 1.00 62.23 H new ATOM 851 N PHE A 150 22.641 54.996 -6.894 1.00 12.43 N ATOM 852 CA PHE A 150 23.762 54.366 -6.178 1.00 42.12 C ATOM 853 C PHE A 150 24.888 53.966 -7.166 1.00 52.13 C ATOM 854 O PHE A 150 26.050 53.850 -6.778 1.00 52.41 O ATOM 855 CB PHE A 150 23.246 53.134 -5.388 1.00 20.12 C ATOM 856 CG PHE A 150 24.256 52.535 -4.409 1.00 11.35 C ATOM 857 CD1 PHE A 150 24.448 53.106 -3.150 1.00 71.52 C ATOM 858 CD2 PHE A 150 25.013 51.407 -4.743 1.00 32.11 C ATOM 859 CE1 PHE A 150 25.361 52.572 -2.263 1.00 45.12 C ATOM 860 CE2 PHE A 150 25.925 50.877 -3.854 1.00 45.33 C ATOM 861 CZ PHE A 150 26.100 51.458 -2.615 1.00 24.24 C ATOM 0 H PHE A 150 21.795 54.427 -6.913 1.00 12.43 H new ATOM 0 HA PHE A 150 24.184 55.082 -5.473 1.00 42.12 H new ATOM 0 HB2 PHE A 150 22.352 53.422 -4.835 1.00 20.12 H new ATOM 0 HB3 PHE A 150 22.947 52.363 -6.098 1.00 20.12 H new ATOM 0 HD1 PHE A 150 23.875 53.976 -2.866 1.00 71.52 H new ATOM 0 HD2 PHE A 150 24.882 50.945 -5.710 1.00 32.11 H new ATOM 0 HE1 PHE A 150 25.498 53.025 -1.292 1.00 45.12 H new ATOM 0 HE2 PHE A 150 26.502 50.007 -4.128 1.00 45.33 H new ATOM 0 HZ PHE A 150 26.815 51.042 -1.920 1.00 24.24 H new ATOM 871 N SER A 151 24.526 53.763 -8.444 1.00 71.24 N ATOM 872 CA SER A 151 25.475 53.376 -9.502 1.00 75.10 C ATOM 873 C SER A 151 26.176 54.612 -10.120 1.00 54.41 C ATOM 874 O SER A 151 27.340 54.522 -10.533 1.00 30.44 O ATOM 875 CB SER A 151 24.734 52.565 -10.592 1.00 11.40 C ATOM 876 OG SER A 151 25.626 52.066 -11.578 1.00 13.13 O ATOM 0 H SER A 151 23.566 53.863 -8.773 1.00 71.24 H new ATOM 0 HA SER A 151 26.252 52.755 -9.056 1.00 75.10 H new ATOM 0 HB2 SER A 151 24.203 51.734 -10.128 1.00 11.40 H new ATOM 0 HB3 SER A 151 23.984 53.197 -11.067 1.00 11.40 H new ATOM 0 HG SER A 151 25.122 51.558 -12.248 1.00 13.13 H new ATOM 882 N MET A 152 25.470 55.765 -10.175 1.00 32.53 N ATOM 883 CA MET A 152 25.984 56.993 -10.836 1.00 34.31 C ATOM 884 C MET A 152 26.762 57.882 -9.852 1.00 30.13 C ATOM 885 O MET A 152 27.917 58.241 -10.107 1.00 41.10 O ATOM 886 CB MET A 152 24.816 57.807 -11.468 1.00 61.13 C ATOM 887 CG MET A 152 24.104 57.112 -12.638 1.00 43.52 C ATOM 888 SD MET A 152 22.778 58.117 -13.353 1.00 74.24 S ATOM 889 CE MET A 152 21.661 58.312 -11.962 1.00 44.33 C ATOM 0 H MET A 152 24.540 55.873 -9.769 1.00 32.53 H new ATOM 0 HA MET A 152 26.668 56.675 -11.623 1.00 34.31 H new ATOM 0 HB2 MET A 152 24.082 58.024 -10.692 1.00 61.13 H new ATOM 0 HB3 MET A 152 25.205 58.764 -11.815 1.00 61.13 H new ATOM 0 HG2 MET A 152 24.834 56.878 -13.413 1.00 43.52 H new ATOM 0 HG3 MET A 152 23.690 56.165 -12.293 1.00 43.52 H new ATOM 0 HE1 MET A 152 20.632 58.195 -12.302 1.00 44.33 H new ATOM 0 HE2 MET A 152 21.882 57.556 -11.209 1.00 44.33 H new ATOM 0 HE3 MET A 152 21.789 59.304 -11.529 1.00 44.33 H new ATOM 899 N THR A 153 26.117 58.228 -8.727 1.00 13.51 N ATOM 900 CA THR A 153 26.684 59.152 -7.719 1.00 21.05 C ATOM 901 C THR A 153 27.320 58.387 -6.548 1.00 0.21 C ATOM 902 O THR A 153 27.989 58.986 -5.696 1.00 45.51 O ATOM 903 CB THR A 153 25.578 60.113 -7.173 1.00 61.31 C ATOM 904 OG1 THR A 153 24.576 59.359 -6.467 1.00 31.22 O ATOM 905 CG2 THR A 153 24.901 60.911 -8.304 1.00 1.10 C ATOM 0 H THR A 153 25.189 57.879 -8.486 1.00 13.51 H new ATOM 0 HA THR A 153 27.461 59.735 -8.213 1.00 21.05 H new ATOM 0 HB THR A 153 26.065 60.818 -6.500 1.00 61.31 H new ATOM 0 HG1 THR A 153 24.376 58.537 -6.962 1.00 31.22 H new ATOM 0 HG21 THR A 153 24.139 61.566 -7.881 1.00 1.10 H new ATOM 0 HG22 THR A 153 25.648 61.511 -8.824 1.00 1.10 H new ATOM 0 HG23 THR A 153 24.436 60.221 -9.008 1.00 1.10 H new ATOM 913 N GLY A 154 27.085 57.060 -6.506 1.00 44.11 N ATOM 914 CA GLY A 154 27.562 56.212 -5.415 1.00 10.02 C ATOM 915 C GLY A 154 26.690 56.297 -4.171 1.00 54.13 C ATOM 916 O GLY A 154 27.000 55.672 -3.151 1.00 70.10 O ATOM 0 H GLY A 154 26.563 56.558 -7.224 1.00 44.11 H new ATOM 0 HA2 GLY A 154 27.599 55.177 -5.756 1.00 10.02 H new ATOM 0 HA3 GLY A 154 28.581 56.500 -5.158 1.00 10.02 H new ATOM 920 N ASN A 155 25.581 57.068 -4.258 1.00 11.15 N ATOM 921 CA ASN A 155 24.719 57.382 -3.102 1.00 43.11 C ATOM 922 C ASN A 155 23.237 57.287 -3.488 1.00 2.23 C ATOM 923 O ASN A 155 22.822 57.781 -4.543 1.00 72.34 O ATOM 924 CB ASN A 155 25.033 58.804 -2.553 1.00 23.24 C ATOM 925 CG ASN A 155 26.409 58.901 -1.888 1.00 1.43 C ATOM 926 OD1 ASN A 155 26.544 58.709 -0.678 1.00 10.01 O ATOM 927 ND2 ASN A 155 27.439 59.176 -2.673 1.00 73.44 N ATOM 0 H ASN A 155 25.262 57.488 -5.131 1.00 11.15 H new ATOM 0 HA ASN A 155 24.925 56.650 -2.321 1.00 43.11 H new ATOM 0 HB2 ASN A 155 24.980 59.523 -3.371 1.00 23.24 H new ATOM 0 HB3 ASN A 155 24.267 59.086 -1.831 1.00 23.24 H new ATOM 0 HD21 ASN A 155 28.378 59.234 -2.280 1.00 73.44 H new ATOM 0 HD22 ASN A 155 27.293 59.330 -3.671 1.00 73.44 H new ATOM 934 N CYS A 156 22.461 56.638 -2.611 1.00 13.53 N ATOM 935 CA CYS A 156 21.005 56.526 -2.709 1.00 60.12 C ATOM 936 C CYS A 156 20.393 57.128 -1.435 1.00 22.33 C ATOM 937 O CYS A 156 20.697 56.668 -0.328 1.00 53.23 O ATOM 938 CB CYS A 156 20.622 55.044 -2.865 1.00 65.43 C ATOM 939 SG CYS A 156 18.836 54.693 -2.805 1.00 54.42 S ATOM 0 H CYS A 156 22.842 56.164 -1.792 1.00 13.53 H new ATOM 0 HA CYS A 156 20.626 57.066 -3.577 1.00 60.12 H new ATOM 0 HB2 CYS A 156 21.015 54.682 -3.815 1.00 65.43 H new ATOM 0 HB3 CYS A 156 21.115 54.473 -2.078 1.00 65.43 H new ATOM 944 N LYS A 157 19.526 58.145 -1.601 1.00 64.35 N ATOM 945 CA LYS A 157 19.018 58.972 -0.481 1.00 42.21 C ATOM 946 C LYS A 157 18.052 58.194 0.441 1.00 24.41 C ATOM 947 O LYS A 157 17.914 58.529 1.623 1.00 3.31 O ATOM 948 CB LYS A 157 18.342 60.266 -1.026 1.00 54.31 C ATOM 949 CG LYS A 157 17.003 60.055 -1.774 1.00 41.24 C ATOM 950 CD LYS A 157 16.387 61.381 -2.292 1.00 20.35 C ATOM 951 CE LYS A 157 14.926 61.220 -2.749 1.00 2.04 C ATOM 952 NZ LYS A 157 14.022 60.863 -1.618 1.00 73.34 N ATOM 0 H LYS A 157 19.157 58.419 -2.511 1.00 64.35 H new ATOM 0 HA LYS A 157 19.877 59.249 0.130 1.00 42.21 H new ATOM 0 HB2 LYS A 157 18.168 60.944 -0.190 1.00 54.31 H new ATOM 0 HB3 LYS A 157 19.040 60.763 -1.700 1.00 54.31 H new ATOM 0 HG2 LYS A 157 17.165 59.382 -2.616 1.00 41.24 H new ATOM 0 HG3 LYS A 157 16.293 59.566 -1.107 1.00 41.24 H new ATOM 0 HD2 LYS A 157 16.436 62.132 -1.503 1.00 20.35 H new ATOM 0 HD3 LYS A 157 16.984 61.754 -3.124 1.00 20.35 H new ATOM 0 HE2 LYS A 157 14.585 62.149 -3.206 1.00 2.04 H new ATOM 0 HE3 LYS A 157 14.869 60.448 -3.516 1.00 2.04 H new ATOM 0 HZ1 LYS A 157 13.620 59.918 -1.780 1.00 73.34 H new ATOM 0 HZ2 LYS A 157 14.562 60.862 -0.729 1.00 73.34 H new ATOM 0 HZ3 LYS A 157 13.253 61.560 -1.555 1.00 73.34 H new ATOM 966 N TYR A 158 17.392 57.159 -0.116 1.00 33.23 N ATOM 967 CA TYR A 158 16.424 56.323 0.625 1.00 32.10 C ATOM 968 C TYR A 158 17.145 55.369 1.599 1.00 4.33 C ATOM 969 O TYR A 158 16.642 55.095 2.699 1.00 54.32 O ATOM 970 CB TYR A 158 15.550 55.511 -0.362 1.00 14.42 C ATOM 971 CG TYR A 158 14.683 56.362 -1.304 1.00 1.25 C ATOM 972 CD1 TYR A 158 15.086 56.640 -2.615 1.00 3.44 C ATOM 973 CD2 TYR A 158 13.460 56.887 -0.877 1.00 43.11 C ATOM 974 CE1 TYR A 158 14.302 57.404 -3.456 1.00 12.31 C ATOM 975 CE2 TYR A 158 12.676 57.650 -1.717 1.00 74.44 C ATOM 976 CZ TYR A 158 13.100 57.905 -3.003 1.00 42.43 C ATOM 977 OH TYR A 158 12.321 58.669 -3.839 1.00 20.50 O ATOM 0 H TYR A 158 17.514 56.879 -1.089 1.00 33.23 H new ATOM 0 HA TYR A 158 15.784 56.986 1.207 1.00 32.10 H new ATOM 0 HB2 TYR A 158 16.200 54.876 -0.964 1.00 14.42 H new ATOM 0 HB3 TYR A 158 14.899 54.850 0.210 1.00 14.42 H new ATOM 0 HD1 TYR A 158 16.027 56.250 -2.975 1.00 3.44 H new ATOM 0 HD2 TYR A 158 13.122 56.691 0.130 1.00 43.11 H new ATOM 0 HE1 TYR A 158 14.629 57.608 -4.465 1.00 12.31 H new ATOM 0 HE2 TYR A 158 11.734 58.046 -1.368 1.00 74.44 H new ATOM 0 HH TYR A 158 11.507 58.943 -3.368 1.00 20.50 H new ATOM 987 N GLY A 159 18.323 54.871 1.170 1.00 63.01 N ATOM 988 CA GLY A 159 19.111 53.923 1.960 1.00 20.43 C ATOM 989 C GLY A 159 18.423 52.567 2.099 1.00 71.53 C ATOM 990 O GLY A 159 18.306 51.833 1.116 1.00 20.03 O ATOM 0 H GLY A 159 18.745 55.116 0.274 1.00 63.01 H new ATOM 0 HA2 GLY A 159 20.086 53.786 1.492 1.00 20.43 H new ATOM 0 HA3 GLY A 159 19.289 54.340 2.951 1.00 20.43 H new ATOM 994 N THR A 160 17.935 52.254 3.311 1.00 72.41 N ATOM 995 CA THR A 160 17.244 50.981 3.602 1.00 43.21 C ATOM 996 C THR A 160 15.822 50.969 3.000 1.00 25.42 C ATOM 997 O THR A 160 15.272 49.904 2.701 1.00 35.00 O ATOM 998 CB THR A 160 17.172 50.732 5.143 1.00 72.13 C ATOM 999 OG1 THR A 160 16.465 51.811 5.784 1.00 41.14 O ATOM 1000 CG2 THR A 160 18.576 50.596 5.769 1.00 22.24 C ATOM 0 H THR A 160 18.007 52.874 4.118 1.00 72.41 H new ATOM 0 HA THR A 160 17.820 50.179 3.141 1.00 43.21 H new ATOM 0 HB THR A 160 16.640 49.793 5.298 1.00 72.13 H new ATOM 0 HG1 THR A 160 16.423 51.647 6.749 1.00 41.14 H new ATOM 0 HG21 THR A 160 18.481 50.424 6.841 1.00 22.24 H new ATOM 0 HG22 THR A 160 19.099 49.756 5.311 1.00 22.24 H new ATOM 0 HG23 THR A 160 19.141 51.512 5.597 1.00 22.24 H new ATOM 1008 N ARG A 161 15.256 52.179 2.810 1.00 2.45 N ATOM 1009 CA ARG A 161 13.911 52.379 2.228 1.00 54.35 C ATOM 1010 C ARG A 161 13.901 52.101 0.713 1.00 72.33 C ATOM 1011 O ARG A 161 12.829 51.934 0.122 1.00 41.24 O ATOM 1012 CB ARG A 161 13.443 53.835 2.478 1.00 23.43 C ATOM 1013 CG ARG A 161 13.220 54.211 3.959 1.00 50.41 C ATOM 1014 CD ARG A 161 12.898 55.709 4.123 1.00 64.41 C ATOM 1015 NE ARG A 161 11.834 56.149 3.187 1.00 62.34 N ATOM 1016 CZ ARG A 161 11.792 57.335 2.556 1.00 51.12 C ATOM 1017 NH1 ARG A 161 12.739 58.247 2.748 1.00 25.44 N ATOM 1018 NH2 ARG A 161 10.814 57.592 1.700 1.00 2.42 N ATOM 0 H ARG A 161 15.722 53.052 3.058 1.00 2.45 H new ATOM 0 HA ARG A 161 13.233 51.675 2.712 1.00 54.35 H new ATOM 0 HB2 ARG A 161 14.183 54.515 2.055 1.00 23.43 H new ATOM 0 HB3 ARG A 161 12.512 53.999 1.935 1.00 23.43 H new ATOM 0 HG2 ARG A 161 12.403 53.616 4.367 1.00 50.41 H new ATOM 0 HG3 ARG A 161 14.112 53.965 4.535 1.00 50.41 H new ATOM 0 HD2 ARG A 161 12.583 55.903 5.148 1.00 64.41 H new ATOM 0 HD3 ARG A 161 13.800 56.296 3.950 1.00 64.41 H new ATOM 0 HE ARG A 161 11.071 55.497 3.007 1.00 62.34 H new ATOM 0 HH11 ARG A 161 13.514 58.052 3.382 1.00 25.44 H new ATOM 0 HH12 ARG A 161 12.691 59.142 2.261 1.00 25.44 H new ATOM 0 HH21 ARG A 161 10.095 56.891 1.521 1.00 2.42 H new ATOM 0 HH22 ARG A 161 10.780 58.491 1.220 1.00 2.42 H new ATOM 1032 N CYS A 162 15.104 52.077 0.102 1.00 52.00 N ATOM 1033 CA CYS A 162 15.277 51.931 -1.349 1.00 70.31 C ATOM 1034 C CYS A 162 14.698 50.598 -1.853 1.00 70.35 C ATOM 1035 O CYS A 162 15.045 49.527 -1.350 1.00 63.10 O ATOM 1036 CB CYS A 162 16.771 52.041 -1.708 1.00 73.12 C ATOM 1037 SG CYS A 162 17.150 51.953 -3.489 1.00 23.01 S ATOM 0 H CYS A 162 15.985 52.159 0.609 1.00 52.00 H new ATOM 0 HA CYS A 162 14.728 52.734 -1.842 1.00 70.31 H new ATOM 0 HB2 CYS A 162 17.154 52.984 -1.318 1.00 73.12 H new ATOM 0 HB3 CYS A 162 17.310 51.243 -1.198 1.00 73.12 H new ATOM 1042 N GLN A 163 13.809 50.695 -2.850 1.00 42.24 N ATOM 1043 CA GLN A 163 13.169 49.530 -3.498 1.00 42.21 C ATOM 1044 C GLN A 163 14.092 48.913 -4.577 1.00 34.50 C ATOM 1045 O GLN A 163 13.702 47.966 -5.277 1.00 74.31 O ATOM 1046 CB GLN A 163 11.817 49.978 -4.125 1.00 45.34 C ATOM 1047 CG GLN A 163 11.953 51.072 -5.208 1.00 70.53 C ATOM 1048 CD GLN A 163 10.621 51.505 -5.822 1.00 64.13 C ATOM 1049 OE1 GLN A 163 10.171 50.942 -6.822 1.00 61.31 O ATOM 1050 NE2 GLN A 163 9.981 52.506 -5.235 1.00 64.01 N ATOM 0 H GLN A 163 13.507 51.589 -3.237 1.00 42.24 H new ATOM 0 HA GLN A 163 12.987 48.761 -2.747 1.00 42.21 H new ATOM 0 HB2 GLN A 163 11.326 49.108 -4.562 1.00 45.34 H new ATOM 0 HB3 GLN A 163 11.166 50.346 -3.332 1.00 45.34 H new ATOM 0 HG2 GLN A 163 12.441 51.943 -4.771 1.00 70.53 H new ATOM 0 HG3 GLN A 163 12.605 50.706 -6.001 1.00 70.53 H new ATOM 0 HE21 GLN A 163 10.380 52.951 -4.409 1.00 64.01 H new ATOM 0 HE22 GLN A 163 9.090 52.831 -5.610 1.00 64.01 H new ATOM 1059 N PHE A 164 15.316 49.462 -4.697 1.00 73.50 N ATOM 1060 CA PHE A 164 16.303 49.059 -5.701 1.00 14.32 C ATOM 1061 C PHE A 164 17.580 48.498 -5.029 1.00 72.33 C ATOM 1062 O PHE A 164 17.977 48.951 -3.948 1.00 41.45 O ATOM 1063 CB PHE A 164 16.656 50.266 -6.601 1.00 21.45 C ATOM 1064 CG PHE A 164 15.490 50.848 -7.400 1.00 33.15 C ATOM 1065 CD1 PHE A 164 14.852 50.089 -8.379 1.00 35.22 C ATOM 1066 CD2 PHE A 164 15.045 52.156 -7.192 1.00 33.12 C ATOM 1067 CE1 PHE A 164 13.809 50.612 -9.118 1.00 52.23 C ATOM 1068 CE2 PHE A 164 14.000 52.676 -7.933 1.00 21.04 C ATOM 1069 CZ PHE A 164 13.383 51.905 -8.895 1.00 1.24 C ATOM 0 H PHE A 164 15.646 50.209 -4.086 1.00 73.50 H new ATOM 0 HA PHE A 164 15.871 48.268 -6.314 1.00 14.32 H new ATOM 0 HB2 PHE A 164 17.076 51.054 -5.976 1.00 21.45 H new ATOM 0 HB3 PHE A 164 17.437 49.962 -7.298 1.00 21.45 H new ATOM 0 HD1 PHE A 164 15.178 49.076 -8.563 1.00 35.22 H new ATOM 0 HD2 PHE A 164 15.524 52.769 -6.443 1.00 33.12 H new ATOM 0 HE1 PHE A 164 13.326 50.008 -9.872 1.00 52.23 H new ATOM 0 HE2 PHE A 164 13.666 53.688 -7.758 1.00 21.04 H new ATOM 0 HZ PHE A 164 12.567 52.313 -9.473 1.00 1.24 H new ATOM 1079 N ILE A 165 18.215 47.521 -5.710 1.00 21.33 N ATOM 1080 CA ILE A 165 19.394 46.785 -5.221 1.00 62.02 C ATOM 1081 C ILE A 165 20.645 47.680 -5.230 1.00 15.30 C ATOM 1082 O ILE A 165 21.081 48.141 -6.295 1.00 62.31 O ATOM 1083 CB ILE A 165 19.668 45.506 -6.105 1.00 43.14 C ATOM 1084 CG1 ILE A 165 18.397 44.602 -6.185 1.00 42.32 C ATOM 1085 CG2 ILE A 165 20.897 44.706 -5.584 1.00 44.24 C ATOM 1086 CD1 ILE A 165 18.518 43.392 -7.095 1.00 23.51 C ATOM 0 H ILE A 165 17.913 47.217 -6.636 1.00 21.33 H new ATOM 0 HA ILE A 165 19.181 46.476 -4.198 1.00 62.02 H new ATOM 0 HB ILE A 165 19.904 45.844 -7.114 1.00 43.14 H new ATOM 0 HG12 ILE A 165 18.152 44.257 -5.180 1.00 42.32 H new ATOM 0 HG13 ILE A 165 17.559 45.210 -6.526 1.00 42.32 H new ATOM 0 HG21 ILE A 165 21.057 43.832 -6.216 1.00 44.24 H new ATOM 0 HG22 ILE A 165 21.783 45.341 -5.612 1.00 44.24 H new ATOM 0 HG23 ILE A 165 20.714 44.384 -4.559 1.00 44.24 H new ATOM 0 HD11 ILE A 165 17.584 42.831 -7.080 1.00 23.51 H new ATOM 0 HD12 ILE A 165 18.728 43.722 -8.113 1.00 23.51 H new ATOM 0 HD13 ILE A 165 19.330 42.754 -6.746 1.00 23.51 H new ATOM 1098 N HIS A 166 21.209 47.919 -4.039 1.00 31.30 N ATOM 1099 CA HIS A 166 22.471 48.651 -3.884 1.00 44.13 C ATOM 1100 C HIS A 166 23.650 47.723 -4.208 1.00 42.52 C ATOM 1101 O HIS A 166 24.109 46.950 -3.359 1.00 22.44 O ATOM 1102 CB HIS A 166 22.586 49.246 -2.453 1.00 60.33 C ATOM 1103 CG HIS A 166 21.594 50.340 -2.170 1.00 61.23 C ATOM 1104 ND1 HIS A 166 21.495 51.003 -0.972 1.00 62.35 N ATOM 1105 CD2 HIS A 166 20.673 50.915 -2.988 1.00 10.34 C ATOM 1106 CE1 HIS A 166 20.547 51.935 -1.094 1.00 41.32 C ATOM 1107 NE2 HIS A 166 20.014 51.925 -2.310 1.00 70.11 N ATOM 0 H HIS A 166 20.802 47.610 -3.156 1.00 31.30 H new ATOM 0 HA HIS A 166 22.492 49.486 -4.584 1.00 44.13 H new ATOM 0 HB2 HIS A 166 22.449 48.447 -1.725 1.00 60.33 H new ATOM 0 HB3 HIS A 166 23.594 49.636 -2.312 1.00 60.33 H new ATOM 0 HD1 HIS A 166 22.048 50.816 -0.136 1.00 62.35 H new ATOM 0 HD2 HIS A 166 20.484 50.627 -4.012 1.00 10.34 H new ATOM 0 HE1 HIS A 166 20.252 52.610 -0.305 1.00 41.32 H new ATOM 1115 N LYS A 167 24.093 47.783 -5.472 1.00 2.42 N ATOM 1116 CA LYS A 167 25.243 47.023 -5.974 1.00 42.31 C ATOM 1117 C LYS A 167 26.415 47.986 -6.213 1.00 32.14 C ATOM 1118 O LYS A 167 26.262 48.992 -6.921 1.00 52.40 O ATOM 1119 CB LYS A 167 24.865 46.277 -7.286 1.00 45.23 C ATOM 1120 CG LYS A 167 26.020 45.449 -7.909 1.00 24.54 C ATOM 1121 CD LYS A 167 25.601 44.672 -9.182 1.00 62.32 C ATOM 1122 CE LYS A 167 24.558 43.572 -8.902 1.00 74.44 C ATOM 1123 NZ LYS A 167 25.067 42.534 -7.960 1.00 33.32 N ATOM 0 H LYS A 167 23.655 48.369 -6.183 1.00 2.42 H new ATOM 0 HA LYS A 167 25.539 46.276 -5.237 1.00 42.31 H new ATOM 0 HB2 LYS A 167 24.026 45.611 -7.082 1.00 45.23 H new ATOM 0 HB3 LYS A 167 24.522 47.007 -8.019 1.00 45.23 H new ATOM 0 HG2 LYS A 167 26.845 46.117 -8.155 1.00 24.54 H new ATOM 0 HG3 LYS A 167 26.392 44.743 -7.167 1.00 24.54 H new ATOM 0 HD2 LYS A 167 25.195 45.373 -9.911 1.00 62.32 H new ATOM 0 HD3 LYS A 167 26.485 44.220 -9.632 1.00 62.32 H new ATOM 0 HE2 LYS A 167 23.658 44.025 -8.487 1.00 74.44 H new ATOM 0 HE3 LYS A 167 24.272 43.098 -9.841 1.00 74.44 H new ATOM 0 HZ1 LYS A 167 24.387 41.749 -7.908 1.00 33.32 H new ATOM 0 HZ2 LYS A 167 25.983 42.177 -8.299 1.00 33.32 H new ATOM 0 HZ3 LYS A 167 25.187 42.952 -7.015 1.00 33.32 H new ATOM 1137 N ILE A 168 27.567 47.688 -5.591 1.00 52.23 N ATOM 1138 CA ILE A 168 28.807 48.454 -5.777 1.00 20.42 C ATOM 1139 C ILE A 168 29.432 48.066 -7.137 1.00 35.41 C ATOM 1140 O ILE A 168 30.070 47.016 -7.267 1.00 35.41 O ATOM 1141 CB ILE A 168 29.810 48.200 -4.586 1.00 53.14 C ATOM 1142 CG1 ILE A 168 29.137 48.588 -3.221 1.00 75.22 C ATOM 1143 CG2 ILE A 168 31.149 48.962 -4.793 1.00 54.41 C ATOM 1144 CD1 ILE A 168 29.983 48.320 -1.983 1.00 4.32 C ATOM 0 H ILE A 168 27.663 46.906 -4.943 1.00 52.23 H new ATOM 0 HA ILE A 168 28.583 49.521 -5.779 1.00 20.42 H new ATOM 0 HB ILE A 168 30.050 47.137 -4.564 1.00 53.14 H new ATOM 0 HG12 ILE A 168 28.885 49.648 -3.247 1.00 75.22 H new ATOM 0 HG13 ILE A 168 28.200 48.039 -3.127 1.00 75.22 H new ATOM 0 HG21 ILE A 168 31.814 48.763 -3.953 1.00 54.41 H new ATOM 0 HG22 ILE A 168 31.620 48.626 -5.717 1.00 54.41 H new ATOM 0 HG23 ILE A 168 30.953 50.032 -4.855 1.00 54.41 H new ATOM 0 HD11 ILE A 168 29.431 48.621 -1.093 1.00 4.32 H new ATOM 0 HD12 ILE A 168 30.215 47.257 -1.924 1.00 4.32 H new ATOM 0 HD13 ILE A 168 30.910 48.890 -2.045 1.00 4.32 H new ATOM 1156 N VAL A 169 29.181 48.909 -8.149 1.00 52.41 N ATOM 1157 CA VAL A 169 29.593 48.665 -9.540 1.00 51.44 C ATOM 1158 C VAL A 169 31.073 49.061 -9.730 1.00 12.42 C ATOM 1159 O VAL A 169 31.460 50.196 -9.416 1.00 71.35 O ATOM 1160 CB VAL A 169 28.670 49.469 -10.538 1.00 73.04 C ATOM 1161 CG1 VAL A 169 29.014 49.161 -12.017 1.00 25.31 C ATOM 1162 CG2 VAL A 169 27.166 49.197 -10.248 1.00 71.42 C ATOM 0 H VAL A 169 28.681 49.789 -8.024 1.00 52.41 H new ATOM 0 HA VAL A 169 29.486 47.602 -9.757 1.00 51.44 H new ATOM 0 HB VAL A 169 28.863 50.529 -10.374 1.00 73.04 H new ATOM 0 HG11 VAL A 169 28.356 49.734 -12.670 1.00 25.31 H new ATOM 0 HG12 VAL A 169 30.050 49.435 -12.214 1.00 25.31 H new ATOM 0 HG13 VAL A 169 28.878 48.097 -12.208 1.00 25.31 H new ATOM 0 HG21 VAL A 169 26.552 49.763 -10.949 1.00 71.42 H new ATOM 0 HG22 VAL A 169 26.960 48.133 -10.362 1.00 71.42 H new ATOM 0 HG23 VAL A 169 26.930 49.505 -9.229 1.00 71.42 H new ATOM 1172 N ASP A 170 31.889 48.113 -10.226 1.00 74.13 N ATOM 1173 CA ASP A 170 33.330 48.328 -10.478 1.00 3.24 C ATOM 1174 C ASP A 170 33.548 49.178 -11.746 1.00 42.04 C ATOM 1175 O ASP A 170 32.696 49.204 -12.645 1.00 20.14 O ATOM 1176 CB ASP A 170 34.070 46.966 -10.593 1.00 70.54 C ATOM 1177 CG ASP A 170 33.640 46.122 -11.811 1.00 10.13 C ATOM 1178 OD1 ASP A 170 32.493 45.627 -11.825 1.00 11.44 O ATOM 1179 OD2 ASP A 170 34.446 45.944 -12.753 1.00 70.23 O ATOM 0 H ASP A 170 31.569 47.174 -10.464 1.00 74.13 H new ATOM 0 HA ASP A 170 33.746 48.876 -9.633 1.00 3.24 H new ATOM 0 HB2 ASP A 170 35.143 47.150 -10.651 1.00 70.54 H new ATOM 0 HB3 ASP A 170 33.894 46.390 -9.684 1.00 70.54 H new ATOM 1184 N GLY A 171 34.699 49.865 -11.800 1.00 65.42 N ATOM 1185 CA GLY A 171 35.033 50.782 -12.897 1.00 32.35 C ATOM 1186 C GLY A 171 35.199 52.209 -12.389 1.00 32.22 C ATOM 1187 O GLY A 171 34.367 52.685 -11.604 1.00 24.32 O ATOM 0 H GLY A 171 35.423 49.800 -11.084 1.00 65.42 H new ATOM 0 HA2 GLY A 171 35.954 50.455 -13.380 1.00 32.35 H new ATOM 0 HA3 GLY A 171 34.248 50.751 -13.653 1.00 32.35 H new ATOM 1191 N ASN A 172 36.266 52.896 -12.831 1.00 53.22 N ATOM 1192 CA ASN A 172 36.616 54.253 -12.355 1.00 24.31 C ATOM 1193 C ASN A 172 36.488 55.278 -13.500 1.00 71.54 C ATOM 1194 O ASN A 172 36.896 55.005 -14.636 1.00 52.31 O ATOM 1195 CB ASN A 172 38.058 54.253 -11.777 1.00 1.31 C ATOM 1196 CG ASN A 172 38.470 55.597 -11.162 1.00 25.01 C ATOM 1197 OD1 ASN A 172 38.250 55.844 -9.975 1.00 11.33 O ATOM 1198 ND2 ASN A 172 39.063 56.476 -11.960 1.00 74.52 N ATOM 0 H ASN A 172 36.913 52.529 -13.529 1.00 53.22 H new ATOM 0 HA ASN A 172 35.922 54.541 -11.566 1.00 24.31 H new ATOM 0 HB2 ASN A 172 38.137 53.475 -11.017 1.00 1.31 H new ATOM 0 HB3 ASN A 172 38.759 53.995 -12.571 1.00 1.31 H new ATOM 0 HD21 ASN A 172 39.350 57.384 -11.595 1.00 74.52 H new ATOM 0 HD22 ASN A 172 39.232 56.243 -12.939 1.00 74.52 H new ATOM 1205 N ALA A 173 35.898 56.445 -13.185 1.00 24.14 N ATOM 1206 CA ALA A 173 35.812 57.592 -14.102 1.00 24.53 C ATOM 1207 C ALA A 173 37.100 58.441 -13.980 1.00 43.12 C ATOM 1208 O ALA A 173 37.932 58.432 -14.910 1.00 22.14 O ATOM 1209 CB ALA A 173 34.554 58.431 -13.793 1.00 43.41 C ATOM 1210 OXT ALA A 173 37.293 59.086 -12.926 1.00 38.28 O ATOM 0 H ALA A 173 35.464 56.618 -12.278 1.00 24.14 H new ATOM 0 HA ALA A 173 35.726 57.236 -15.129 1.00 24.53 H new ATOM 0 HB1 ALA A 173 34.503 59.276 -14.479 1.00 43.41 H new ATOM 0 HB2 ALA A 173 33.665 57.812 -13.913 1.00 43.41 H new ATOM 0 HB3 ALA A 173 34.604 58.798 -12.768 1.00 43.41 H new TER 1216 ALA A 173 HETATM 1217 ZN ZN A 201 -0.159 0.519 1.613 1.00 34.52 ZN HETATM 1218 ZN ZN A 202 18.902 52.870 -3.636 1.00 40.54 ZN