USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 Single : A 1 ALA N :NH3+ 148:sc= 0.00986 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 50:sc= -1.9! USER MOD Single : A 7 THR OG1 : rot 140:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 123:sc= 1.42 USER MOD Single : A 23 SER OG : rot 11:sc= 0.886 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 102 THR OG1 : rot 180:sc= 0 USER MOD Single : B 104 TYR OH : rot 180:sc= -1.33 USER MOD Single : B 107 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : B 112 THR OG1 : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= -0.0708 USER MOD Single : B 117 SER OG : rot 170:sc= 1.41 USER MOD Single : B 123 SER OG : rot 11:sc= 0.932 USER MOD Single : B 127 TYR OH : rot 15:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.809 -0.999 4.711 1.00 23.14 N ATOM 2 CA ALA A 1 -10.917 -0.944 3.559 1.00 22.34 C ATOM 3 C ALA A 1 -9.896 -2.054 3.645 1.00 63.51 C ATOM 4 O ALA A 1 -9.288 -2.267 4.690 1.00 31.42 O ATOM 5 CB ALA A 1 -10.201 0.403 3.500 1.00 33.44 C ATOM 0 H1 ALA A 1 -12.115 -0.037 4.959 1.00 23.14 H new ATOM 0 H2 ALA A 1 -12.641 -1.578 4.478 1.00 23.14 H new ATOM 0 H3 ALA A 1 -11.308 -1.422 5.518 1.00 23.14 H new ATOM 0 HA ALA A 1 -11.513 -1.067 2.655 1.00 22.34 H new ATOM 0 HB1 ALA A 1 -9.540 0.426 2.634 1.00 33.44 H new ATOM 0 HB2 ALA A 1 -10.937 1.203 3.416 1.00 33.44 H new ATOM 0 HB3 ALA A 1 -9.615 0.543 4.408 1.00 33.44 H new ATOM 13 N THR A 2 -9.718 -2.775 2.580 1.00 12.15 N ATOM 14 CA THR A 2 -8.706 -3.774 2.529 1.00 25.31 C ATOM 15 C THR A 2 -7.838 -3.494 1.328 1.00 72.33 C ATOM 16 O THR A 2 -8.277 -3.615 0.181 1.00 1.04 O ATOM 17 CB THR A 2 -9.328 -5.187 2.442 1.00 35.52 C ATOM 18 OG1 THR A 2 -10.201 -5.385 3.573 1.00 25.21 O ATOM 19 CG2 THR A 2 -8.246 -6.265 2.449 1.00 13.44 C ATOM 0 H THR A 2 -10.270 -2.685 1.727 1.00 12.15 H new ATOM 0 HA THR A 2 -8.107 -3.745 3.439 1.00 25.31 H new ATOM 0 HB THR A 2 -9.886 -5.265 1.509 1.00 35.52 H new ATOM 0 HG1 THR A 2 -10.601 -6.278 3.525 1.00 25.21 H new ATOM 0 HG21 THR A 2 -8.712 -7.248 2.387 1.00 13.44 H new ATOM 0 HG22 THR A 2 -7.585 -6.122 1.594 1.00 13.44 H new ATOM 0 HG23 THR A 2 -7.668 -6.195 3.371 1.00 13.44 H new ATOM 27 N CYS A 3 -6.629 -3.118 1.583 1.00 42.34 N ATOM 28 CA CYS A 3 -5.721 -2.755 0.537 1.00 33.23 C ATOM 29 C CYS A 3 -4.500 -3.638 0.724 1.00 33.23 C ATOM 30 O CYS A 3 -4.312 -4.181 1.817 1.00 0.00 O ATOM 31 CB CYS A 3 -5.292 -1.272 0.691 1.00 64.01 C ATOM 32 SG CYS A 3 -6.618 0.003 1.026 1.00 73.34 S ATOM 0 H CYS A 3 -6.238 -3.052 2.523 1.00 42.34 H new ATOM 0 HA CYS A 3 -6.180 -2.879 -0.444 1.00 33.23 H new ATOM 0 HB2 CYS A 3 -4.566 -1.218 1.502 1.00 64.01 H new ATOM 0 HB3 CYS A 3 -4.772 -0.980 -0.221 1.00 64.01 H new ATOM 37 N TYR A 4 -3.683 -3.797 -0.291 1.00 14.14 N ATOM 38 CA TYR A 4 -2.483 -4.599 -0.162 1.00 33.31 C ATOM 39 C TYR A 4 -1.413 -4.180 -1.130 1.00 41.05 C ATOM 40 O TYR A 4 -1.703 -3.600 -2.190 1.00 14.03 O ATOM 41 CB TYR A 4 -2.738 -6.125 -0.175 1.00 4.30 C ATOM 42 CG TYR A 4 -3.511 -6.673 -1.349 1.00 14.33 C ATOM 43 CD1 TYR A 4 -2.892 -6.931 -2.564 1.00 4.44 C ATOM 44 CD2 TYR A 4 -4.863 -6.966 -1.223 1.00 72.32 C ATOM 45 CE1 TYR A 4 -3.598 -7.464 -3.619 1.00 30.42 C ATOM 46 CE2 TYR A 4 -5.579 -7.493 -2.272 1.00 10.51 C ATOM 47 CZ TYR A 4 -4.946 -7.743 -3.468 1.00 0.41 C ATOM 48 OH TYR A 4 -5.659 -8.286 -4.514 1.00 24.43 O ATOM 0 H TYR A 4 -3.824 -3.384 -1.213 1.00 14.14 H new ATOM 0 HA TYR A 4 -2.104 -4.391 0.839 1.00 33.31 H new ATOM 0 HB2 TYR A 4 -1.774 -6.631 -0.136 1.00 4.30 H new ATOM 0 HB3 TYR A 4 -3.273 -6.388 0.737 1.00 4.30 H new ATOM 0 HD1 TYR A 4 -1.842 -6.711 -2.684 1.00 4.44 H new ATOM 0 HD2 TYR A 4 -5.361 -6.776 -0.284 1.00 72.32 H new ATOM 0 HE1 TYR A 4 -3.104 -7.663 -4.558 1.00 30.42 H new ATOM 0 HE2 TYR A 4 -6.631 -7.709 -2.158 1.00 10.51 H new ATOM 0 HH TYR A 4 -5.178 -9.062 -4.870 1.00 24.43 H new ATOM 58 N CYS A 5 -0.196 -4.464 -0.761 1.00 23.41 N ATOM 59 CA CYS A 5 0.958 -4.063 -1.508 1.00 32.41 C ATOM 60 C CYS A 5 1.333 -5.171 -2.486 1.00 15.52 C ATOM 61 O CYS A 5 1.764 -6.254 -2.069 1.00 14.22 O ATOM 62 CB CYS A 5 2.122 -3.831 -0.532 1.00 21.41 C ATOM 63 SG CYS A 5 1.688 -2.807 0.898 1.00 22.52 S ATOM 0 H CYS A 5 0.024 -4.991 0.084 1.00 23.41 H new ATOM 0 HA CYS A 5 0.747 -3.147 -2.060 1.00 32.41 H new ATOM 0 HB2 CYS A 5 2.485 -4.796 -0.179 1.00 21.41 H new ATOM 0 HB3 CYS A 5 2.945 -3.358 -1.069 1.00 21.41 H new ATOM 68 N ARG A 6 1.149 -4.934 -3.758 1.00 52.34 N ATOM 69 CA ARG A 6 1.513 -5.930 -4.758 1.00 55.11 C ATOM 70 C ARG A 6 2.520 -5.318 -5.691 1.00 61.12 C ATOM 71 O ARG A 6 2.485 -4.126 -5.929 1.00 73.35 O ATOM 72 CB ARG A 6 0.300 -6.475 -5.584 1.00 21.55 C ATOM 73 CG ARG A 6 -0.396 -5.447 -6.477 1.00 72.03 C ATOM 74 CD ARG A 6 -1.268 -4.491 -5.693 1.00 13.41 C ATOM 75 NE ARG A 6 -1.619 -3.256 -6.448 1.00 34.54 N ATOM 76 CZ ARG A 6 -2.276 -3.162 -7.635 1.00 73.13 C ATOM 77 NH1 ARG A 6 -2.613 -4.232 -8.305 1.00 51.45 N ATOM 78 NH2 ARG A 6 -2.586 -1.965 -8.129 1.00 73.31 N ATOM 0 H ARG A 6 0.754 -4.072 -4.134 1.00 52.34 H new ATOM 0 HA ARG A 6 1.923 -6.787 -4.224 1.00 55.11 H new ATOM 0 HB2 ARG A 6 0.647 -7.299 -6.208 1.00 21.55 H new ATOM 0 HB3 ARG A 6 -0.434 -6.887 -4.892 1.00 21.55 H new ATOM 0 HG2 ARG A 6 0.356 -4.880 -7.026 1.00 72.03 H new ATOM 0 HG3 ARG A 6 -1.006 -5.967 -7.216 1.00 72.03 H new ATOM 0 HD2 ARG A 6 -2.185 -5.003 -5.402 1.00 13.41 H new ATOM 0 HD3 ARG A 6 -0.753 -4.212 -4.774 1.00 13.41 H new ATOM 0 HE ARG A 6 -1.332 -2.374 -6.023 1.00 34.54 H new ATOM 0 HH11 ARG A 6 -2.384 -5.156 -7.939 1.00 51.45 H new ATOM 0 HH12 ARG A 6 -3.106 -4.143 -9.194 1.00 51.45 H new ATOM 0 HH21 ARG A 6 -2.331 -1.120 -7.617 1.00 73.31 H new ATOM 0 HH22 ARG A 6 -3.079 -1.893 -9.019 1.00 73.31 H new ATOM 92 N THR A 7 3.380 -6.109 -6.231 1.00 11.12 N ATOM 93 CA THR A 7 4.423 -5.601 -7.104 1.00 61.22 C ATOM 94 C THR A 7 3.993 -5.571 -8.564 1.00 2.41 C ATOM 95 O THR A 7 4.794 -5.325 -9.458 1.00 60.22 O ATOM 96 CB THR A 7 5.712 -6.409 -6.938 1.00 72.11 C ATOM 97 OG1 THR A 7 5.448 -7.812 -7.136 1.00 52.13 O ATOM 98 CG2 THR A 7 6.270 -6.195 -5.558 1.00 73.22 C ATOM 0 H THR A 7 3.396 -7.119 -6.093 1.00 11.12 H new ATOM 0 HA THR A 7 4.613 -4.570 -6.805 1.00 61.22 H new ATOM 0 HB THR A 7 6.436 -6.074 -7.681 1.00 72.11 H new ATOM 0 HG1 THR A 7 6.183 -8.214 -7.645 1.00 52.13 H new ATOM 0 HG21 THR A 7 7.188 -6.772 -5.443 1.00 73.22 H new ATOM 0 HG22 THR A 7 6.486 -5.137 -5.413 1.00 73.22 H new ATOM 0 HG23 THR A 7 5.541 -6.521 -4.816 1.00 73.22 H new ATOM 106 N GLY A 8 2.728 -5.777 -8.791 1.00 60.40 N ATOM 107 CA GLY A 8 2.216 -5.793 -10.116 1.00 62.24 C ATOM 108 C GLY A 8 0.753 -5.549 -10.110 1.00 75.44 C ATOM 109 O GLY A 8 0.300 -4.496 -9.677 1.00 73.55 O ATOM 0 H GLY A 8 2.032 -5.937 -8.063 1.00 60.40 H new ATOM 0 HA2 GLY A 8 2.715 -5.031 -10.714 1.00 62.24 H new ATOM 0 HA3 GLY A 8 2.428 -6.755 -10.583 1.00 62.24 H new ATOM 113 N ARG A 9 0.017 -6.519 -10.526 1.00 42.42 N ATOM 114 CA ARG A 9 -1.412 -6.411 -10.612 1.00 33.20 C ATOM 115 C ARG A 9 -2.061 -7.207 -9.478 1.00 71.22 C ATOM 116 O ARG A 9 -1.372 -7.918 -8.748 1.00 75.34 O ATOM 117 CB ARG A 9 -1.880 -6.902 -11.980 1.00 14.12 C ATOM 118 CG ARG A 9 -1.474 -8.322 -12.293 1.00 22.23 C ATOM 119 CD ARG A 9 -1.843 -8.693 -13.709 1.00 64.42 C ATOM 120 NE ARG A 9 -1.518 -10.082 -14.009 1.00 12.55 N ATOM 121 CZ ARG A 9 -1.499 -10.623 -15.226 1.00 14.10 C ATOM 122 NH1 ARG A 9 -1.734 -9.873 -16.297 1.00 41.14 N ATOM 123 NH2 ARG A 9 -1.236 -11.915 -15.365 1.00 43.52 N ATOM 0 H ARG A 9 0.386 -7.423 -10.821 1.00 42.42 H new ATOM 0 HA ARG A 9 -1.713 -5.369 -10.504 1.00 33.20 H new ATOM 0 HB2 ARG A 9 -2.966 -6.826 -12.030 1.00 14.12 H new ATOM 0 HB3 ARG A 9 -1.478 -6.242 -12.749 1.00 14.12 H new ATOM 0 HG2 ARG A 9 -0.399 -8.436 -12.152 1.00 22.23 H new ATOM 0 HG3 ARG A 9 -1.961 -9.005 -11.596 1.00 22.23 H new ATOM 0 HD2 ARG A 9 -2.910 -8.529 -13.861 1.00 64.42 H new ATOM 0 HD3 ARG A 9 -1.317 -8.039 -14.404 1.00 64.42 H new ATOM 0 HE ARG A 9 -1.286 -10.689 -13.223 1.00 12.55 H new ATOM 0 HH11 ARG A 9 -1.930 -8.878 -16.190 1.00 41.14 H new ATOM 0 HH12 ARG A 9 -1.718 -10.292 -17.227 1.00 41.14 H new ATOM 0 HH21 ARG A 9 -1.050 -12.489 -14.543 1.00 43.52 H new ATOM 0 HH22 ARG A 9 -1.220 -12.335 -16.294 1.00 43.52 H new ATOM 137 N CYS A 10 -3.357 -7.075 -9.309 1.00 41.43 N ATOM 138 CA CYS A 10 -4.052 -7.811 -8.252 1.00 73.43 C ATOM 139 C CYS A 10 -5.401 -8.291 -8.743 1.00 22.24 C ATOM 140 O CYS A 10 -5.894 -7.802 -9.782 1.00 32.31 O ATOM 141 CB CYS A 10 -4.209 -6.966 -6.978 1.00 51.43 C ATOM 142 SG CYS A 10 -5.212 -5.489 -7.141 1.00 42.14 S ATOM 0 H CYS A 10 -3.954 -6.475 -9.877 1.00 41.43 H new ATOM 0 HA CYS A 10 -3.442 -8.677 -7.996 1.00 73.43 H new ATOM 0 HB2 CYS A 10 -4.643 -7.593 -6.200 1.00 51.43 H new ATOM 0 HB3 CYS A 10 -3.217 -6.673 -6.634 1.00 51.43 H new ATOM 147 N ALA A 11 -5.996 -9.231 -8.021 1.00 41.32 N ATOM 148 CA ALA A 11 -7.265 -9.825 -8.394 1.00 52.01 C ATOM 149 C ALA A 11 -8.436 -8.872 -8.171 1.00 62.03 C ATOM 150 O ALA A 11 -9.087 -8.882 -7.113 1.00 13.30 O ATOM 151 CB ALA A 11 -7.487 -11.156 -7.686 1.00 11.40 C ATOM 0 H ALA A 11 -5.606 -9.603 -7.155 1.00 41.32 H new ATOM 0 HA ALA A 11 -7.218 -10.023 -9.465 1.00 52.01 H new ATOM 0 HB1 ALA A 11 -8.447 -11.573 -7.989 1.00 11.40 H new ATOM 0 HB2 ALA A 11 -6.689 -11.849 -7.955 1.00 11.40 H new ATOM 0 HB3 ALA A 11 -7.483 -10.999 -6.607 1.00 11.40 H new ATOM 157 N THR A 12 -8.625 -8.011 -9.150 1.00 22.04 N ATOM 158 CA THR A 12 -9.682 -7.024 -9.225 1.00 4.01 C ATOM 159 C THR A 12 -9.321 -6.039 -10.345 1.00 32.43 C ATOM 160 O THR A 12 -10.175 -5.644 -11.138 1.00 54.33 O ATOM 161 CB THR A 12 -9.942 -6.251 -7.868 1.00 5.22 C ATOM 162 OG1 THR A 12 -11.060 -5.376 -8.005 1.00 21.54 O ATOM 163 CG2 THR A 12 -8.727 -5.444 -7.401 1.00 24.21 C ATOM 0 H THR A 12 -8.008 -7.980 -9.962 1.00 22.04 H new ATOM 0 HA THR A 12 -10.615 -7.547 -9.434 1.00 4.01 H new ATOM 0 HB THR A 12 -10.144 -7.011 -7.113 1.00 5.22 H new ATOM 0 HG1 THR A 12 -11.212 -4.905 -7.159 1.00 21.54 H new ATOM 0 HG21 THR A 12 -8.965 -4.936 -6.466 1.00 24.21 H new ATOM 0 HG22 THR A 12 -7.883 -6.115 -7.244 1.00 24.21 H new ATOM 0 HG23 THR A 12 -8.467 -4.705 -8.159 1.00 24.21 H new ATOM 171 N ARG A 13 -8.004 -5.718 -10.426 1.00 30.23 N ATOM 172 CA ARG A 13 -7.421 -4.773 -11.405 1.00 1.15 C ATOM 173 C ARG A 13 -8.025 -3.370 -11.248 1.00 33.22 C ATOM 174 O ARG A 13 -8.765 -3.089 -10.285 1.00 65.12 O ATOM 175 CB ARG A 13 -7.664 -5.216 -12.861 1.00 34.02 C ATOM 176 CG ARG A 13 -7.218 -6.608 -13.255 1.00 23.10 C ATOM 177 CD ARG A 13 -5.736 -6.889 -13.026 1.00 12.02 C ATOM 178 NE ARG A 13 -5.379 -8.140 -13.712 1.00 12.42 N ATOM 179 CZ ARG A 13 -5.092 -9.316 -13.138 1.00 71.23 C ATOM 180 NH1 ARG A 13 -5.114 -9.454 -11.827 1.00 64.32 N ATOM 181 NH2 ARG A 13 -4.804 -10.355 -13.903 1.00 50.51 N ATOM 0 H ARG A 13 -7.307 -6.119 -9.799 1.00 30.23 H new ATOM 0 HA ARG A 13 -6.351 -4.759 -11.200 1.00 1.15 H new ATOM 0 HB2 ARG A 13 -8.732 -5.136 -13.062 1.00 34.02 H new ATOM 0 HB3 ARG A 13 -7.162 -4.504 -13.517 1.00 34.02 H new ATOM 0 HG2 ARG A 13 -7.803 -7.336 -12.693 1.00 23.10 H new ATOM 0 HG3 ARG A 13 -7.445 -6.763 -14.310 1.00 23.10 H new ATOM 0 HD2 ARG A 13 -5.133 -6.065 -13.406 1.00 12.02 H new ATOM 0 HD3 ARG A 13 -5.528 -6.971 -11.959 1.00 12.02 H new ATOM 0 HE ARG A 13 -5.347 -8.109 -14.731 1.00 12.42 H new ATOM 0 HH11 ARG A 13 -5.352 -8.659 -11.234 1.00 64.32 H new ATOM 0 HH12 ARG A 13 -4.893 -10.356 -11.405 1.00 64.32 H new ATOM 0 HH21 ARG A 13 -4.802 -10.256 -14.918 1.00 50.51 H new ATOM 0 HH22 ARG A 13 -4.584 -11.256 -13.478 1.00 50.51 H new ATOM 195 N GLU A 14 -7.643 -2.490 -12.178 1.00 2.10 N ATOM 196 CA GLU A 14 -8.214 -1.151 -12.376 1.00 11.11 C ATOM 197 C GLU A 14 -7.945 -0.132 -11.262 1.00 23.40 C ATOM 198 O GLU A 14 -7.615 1.011 -11.544 1.00 10.24 O ATOM 199 CB GLU A 14 -9.695 -1.238 -12.758 1.00 10.33 C ATOM 200 CG GLU A 14 -9.904 -1.972 -14.077 1.00 65.21 C ATOM 201 CD GLU A 14 -11.348 -2.153 -14.452 1.00 32.20 C ATOM 202 OE1 GLU A 14 -11.945 -1.229 -15.029 1.00 41.22 O ATOM 203 OE2 GLU A 14 -11.901 -3.238 -14.196 1.00 1.55 O ATOM 0 H GLU A 14 -6.897 -2.698 -12.842 1.00 2.10 H new ATOM 0 HA GLU A 14 -7.661 -0.733 -13.217 1.00 11.11 H new ATOM 0 HB2 GLU A 14 -10.243 -1.750 -11.968 1.00 10.33 H new ATOM 0 HB3 GLU A 14 -10.109 -0.233 -12.833 1.00 10.33 H new ATOM 0 HG2 GLU A 14 -9.399 -1.422 -14.871 1.00 65.21 H new ATOM 0 HG3 GLU A 14 -9.429 -2.951 -14.016 1.00 65.21 H new ATOM 210 N SER A 15 -8.058 -0.529 -10.036 1.00 54.04 N ATOM 211 CA SER A 15 -7.858 0.383 -8.960 1.00 55.21 C ATOM 212 C SER A 15 -6.414 0.378 -8.486 1.00 40.54 C ATOM 213 O SER A 15 -6.013 -0.455 -7.684 1.00 11.30 O ATOM 214 CB SER A 15 -8.820 0.092 -7.798 1.00 4.41 C ATOM 215 OG SER A 15 -8.669 1.024 -6.737 1.00 21.22 O ATOM 0 H SER A 15 -8.289 -1.482 -9.755 1.00 54.04 H new ATOM 0 HA SER A 15 -8.078 1.382 -9.335 1.00 55.21 H new ATOM 0 HB2 SER A 15 -9.847 0.120 -8.162 1.00 4.41 H new ATOM 0 HB3 SER A 15 -8.642 -0.916 -7.423 1.00 4.41 H new ATOM 0 HG SER A 15 -9.299 0.806 -6.018 1.00 21.22 H new ATOM 221 N LEU A 16 -5.611 1.229 -9.065 1.00 60.42 N ATOM 222 CA LEU A 16 -4.292 1.469 -8.551 1.00 0.03 C ATOM 223 C LEU A 16 -4.414 2.745 -7.779 1.00 41.02 C ATOM 224 O LEU A 16 -4.610 3.816 -8.346 1.00 33.55 O ATOM 225 CB LEU A 16 -3.227 1.519 -9.684 1.00 10.05 C ATOM 226 CG LEU A 16 -1.723 1.698 -9.330 1.00 75.34 C ATOM 227 CD1 LEU A 16 -0.910 1.544 -10.589 1.00 54.24 C ATOM 228 CD2 LEU A 16 -1.447 3.072 -8.751 1.00 23.32 C ATOM 0 H LEU A 16 -5.849 1.769 -9.897 1.00 60.42 H new ATOM 0 HA LEU A 16 -3.937 0.662 -7.910 1.00 0.03 H new ATOM 0 HB2 LEU A 16 -3.318 0.595 -10.255 1.00 10.05 H new ATOM 0 HB3 LEU A 16 -3.502 2.335 -10.352 1.00 10.05 H new ATOM 0 HG LEU A 16 -1.456 0.947 -8.587 1.00 75.34 H new ATOM 0 HD11 LEU A 16 0.148 1.667 -10.356 1.00 54.24 H new ATOM 0 HD12 LEU A 16 -1.076 0.552 -11.010 1.00 54.24 H new ATOM 0 HD13 LEU A 16 -1.213 2.301 -11.313 1.00 54.24 H new ATOM 0 HD21 LEU A 16 -0.386 3.161 -8.516 1.00 23.32 H new ATOM 0 HD22 LEU A 16 -1.723 3.835 -9.478 1.00 23.32 H new ATOM 0 HD23 LEU A 16 -2.033 3.208 -7.842 1.00 23.32 H new ATOM 240 N SER A 17 -4.331 2.626 -6.523 1.00 63.34 N ATOM 241 CA SER A 17 -4.634 3.708 -5.638 1.00 11.24 C ATOM 242 C SER A 17 -3.393 4.357 -5.057 1.00 64.52 C ATOM 243 O SER A 17 -3.469 5.405 -4.404 1.00 25.53 O ATOM 244 CB SER A 17 -5.541 3.174 -4.557 1.00 1.31 C ATOM 245 OG SER A 17 -4.983 2.005 -3.971 1.00 25.22 O ATOM 0 H SER A 17 -4.047 1.767 -6.052 1.00 63.34 H new ATOM 0 HA SER A 17 -5.132 4.500 -6.196 1.00 11.24 H new ATOM 0 HB2 SER A 17 -5.691 3.935 -3.792 1.00 1.31 H new ATOM 0 HB3 SER A 17 -6.521 2.946 -4.976 1.00 1.31 H new ATOM 0 HG SER A 17 -4.884 2.138 -3.005 1.00 25.22 H new ATOM 251 N GLY A 18 -2.269 3.743 -5.275 1.00 65.42 N ATOM 252 CA GLY A 18 -1.045 4.270 -4.774 1.00 0.21 C ATOM 253 C GLY A 18 0.112 3.453 -5.227 1.00 52.32 C ATOM 254 O GLY A 18 -0.081 2.330 -5.712 1.00 24.42 O ATOM 0 H GLY A 18 -2.179 2.873 -5.799 1.00 65.42 H new ATOM 0 HA2 GLY A 18 -0.923 5.299 -5.112 1.00 0.21 H new ATOM 0 HA3 GLY A 18 -1.074 4.294 -3.685 1.00 0.21 H new ATOM 258 N VAL A 19 1.292 4.001 -5.108 1.00 13.04 N ATOM 259 CA VAL A 19 2.522 3.305 -5.442 1.00 3.11 C ATOM 260 C VAL A 19 3.615 3.644 -4.478 1.00 13.23 C ATOM 261 O VAL A 19 3.685 4.765 -3.953 1.00 70.32 O ATOM 262 CB VAL A 19 3.041 3.555 -6.893 1.00 63.53 C ATOM 263 CG1 VAL A 19 2.216 2.816 -7.911 1.00 74.24 C ATOM 264 CG2 VAL A 19 3.075 5.037 -7.221 1.00 11.22 C ATOM 0 H VAL A 19 1.436 4.954 -4.773 1.00 13.04 H new ATOM 0 HA VAL A 19 2.259 2.249 -5.375 1.00 3.11 H new ATOM 0 HB VAL A 19 4.060 3.170 -6.937 1.00 63.53 H new ATOM 0 HG11 VAL A 19 2.607 3.014 -8.909 1.00 74.24 H new ATOM 0 HG12 VAL A 19 2.262 1.746 -7.709 1.00 74.24 H new ATOM 0 HG13 VAL A 19 1.181 3.152 -7.854 1.00 74.24 H new ATOM 0 HG21 VAL A 19 3.441 5.176 -8.238 1.00 11.22 H new ATOM 0 HG22 VAL A 19 2.070 5.451 -7.137 1.00 11.22 H new ATOM 0 HG23 VAL A 19 3.738 5.549 -6.524 1.00 11.22 H new ATOM 274 N CYS A 20 4.427 2.692 -4.232 1.00 11.52 N ATOM 275 CA CYS A 20 5.583 2.836 -3.416 1.00 22.15 C ATOM 276 C CYS A 20 6.685 1.976 -3.955 1.00 74.31 C ATOM 277 O CYS A 20 6.545 0.776 -4.072 1.00 25.03 O ATOM 278 CB CYS A 20 5.292 2.534 -1.920 1.00 4.10 C ATOM 279 SG CYS A 20 4.349 1.019 -1.570 1.00 35.54 S ATOM 0 H CYS A 20 4.307 1.750 -4.605 1.00 11.52 H new ATOM 0 HA CYS A 20 5.900 3.878 -3.451 1.00 22.15 H new ATOM 0 HB2 CYS A 20 6.244 2.474 -1.392 1.00 4.10 H new ATOM 0 HB3 CYS A 20 4.748 3.380 -1.500 1.00 4.10 H new ATOM 284 N GLU A 21 7.763 2.575 -4.322 1.00 22.41 N ATOM 285 CA GLU A 21 8.858 1.833 -4.819 1.00 43.14 C ATOM 286 C GLU A 21 9.806 1.628 -3.703 1.00 53.15 C ATOM 287 O GLU A 21 10.254 2.584 -3.049 1.00 52.03 O ATOM 288 CB GLU A 21 9.470 2.499 -6.059 1.00 31.42 C ATOM 289 CG GLU A 21 10.692 1.793 -6.681 1.00 63.31 C ATOM 290 CD GLU A 21 12.019 2.103 -5.998 1.00 55.43 C ATOM 291 OE1 GLU A 21 12.650 3.107 -6.363 1.00 43.03 O ATOM 292 OE2 GLU A 21 12.457 1.356 -5.105 1.00 61.30 O ATOM 0 H GLU A 21 7.906 3.584 -4.285 1.00 22.41 H new ATOM 0 HA GLU A 21 8.541 0.853 -5.176 1.00 43.14 H new ATOM 0 HB2 GLU A 21 8.696 2.578 -6.822 1.00 31.42 H new ATOM 0 HB3 GLU A 21 9.761 3.515 -5.793 1.00 31.42 H new ATOM 0 HG2 GLU A 21 10.526 0.716 -6.652 1.00 63.31 H new ATOM 0 HG3 GLU A 21 10.764 2.077 -7.731 1.00 63.31 H new ATOM 299 N ILE A 22 10.069 0.390 -3.449 1.00 22.42 N ATOM 300 CA ILE A 22 10.824 -0.016 -2.321 1.00 2.30 C ATOM 301 C ILE A 22 11.844 -1.026 -2.782 1.00 1.13 C ATOM 302 O ILE A 22 11.504 -1.996 -3.462 1.00 14.43 O ATOM 303 CB ILE A 22 9.889 -0.672 -1.270 1.00 22.32 C ATOM 304 CG1 ILE A 22 8.672 0.244 -1.008 1.00 31.30 C ATOM 305 CG2 ILE A 22 10.654 -0.933 0.026 1.00 1.03 C ATOM 306 CD1 ILE A 22 7.634 -0.362 -0.132 1.00 75.34 C ATOM 0 H ILE A 22 9.756 -0.383 -4.037 1.00 22.42 H new ATOM 0 HA ILE A 22 11.314 0.845 -1.867 1.00 2.30 H new ATOM 0 HB ILE A 22 9.532 -1.627 -1.656 1.00 22.32 H new ATOM 0 HG12 ILE A 22 9.020 1.171 -0.553 1.00 31.30 H new ATOM 0 HG13 ILE A 22 8.217 0.508 -1.963 1.00 31.30 H new ATOM 0 HG21 ILE A 22 9.988 -1.393 0.755 1.00 1.03 H new ATOM 0 HG22 ILE A 22 11.491 -1.602 -0.174 1.00 1.03 H new ATOM 0 HG23 ILE A 22 11.030 0.010 0.423 1.00 1.03 H new ATOM 0 HD11 ILE A 22 6.814 0.344 0.003 1.00 75.34 H new ATOM 0 HD12 ILE A 22 7.255 -1.274 -0.594 1.00 75.34 H new ATOM 0 HD13 ILE A 22 8.070 -0.601 0.838 1.00 75.34 H new ATOM 318 N SER A 23 13.075 -0.785 -2.422 1.00 25.31 N ATOM 319 CA SER A 23 14.249 -1.606 -2.769 1.00 42.41 C ATOM 320 C SER A 23 14.372 -1.897 -4.293 1.00 71.22 C ATOM 321 O SER A 23 14.933 -2.930 -4.701 1.00 72.45 O ATOM 322 CB SER A 23 14.261 -2.919 -1.932 1.00 73.51 C ATOM 323 OG SER A 23 13.083 -3.705 -2.122 1.00 65.12 O ATOM 0 H SER A 23 13.320 0.024 -1.851 1.00 25.31 H new ATOM 0 HA SER A 23 15.131 -1.018 -2.513 1.00 42.41 H new ATOM 0 HB2 SER A 23 15.135 -3.510 -2.204 1.00 73.51 H new ATOM 0 HB3 SER A 23 14.361 -2.671 -0.875 1.00 73.51 H new ATOM 0 HG SER A 23 12.570 -3.349 -2.877 1.00 65.12 H new ATOM 329 N GLY A 24 13.925 -0.958 -5.124 1.00 44.10 N ATOM 330 CA GLY A 24 14.039 -1.124 -6.559 1.00 3.22 C ATOM 331 C GLY A 24 12.933 -1.980 -7.134 1.00 71.23 C ATOM 332 O GLY A 24 13.042 -2.488 -8.261 1.00 71.44 O ATOM 0 H GLY A 24 13.486 -0.086 -4.827 1.00 44.10 H new ATOM 0 HA2 GLY A 24 14.021 -0.145 -7.037 1.00 3.22 H new ATOM 0 HA3 GLY A 24 15.003 -1.576 -6.794 1.00 3.22 H new ATOM 336 N ARG A 25 11.886 -2.158 -6.373 1.00 11.34 N ATOM 337 CA ARG A 25 10.760 -2.933 -6.781 1.00 14.31 C ATOM 338 C ARG A 25 9.523 -2.063 -6.577 1.00 40.01 C ATOM 339 O ARG A 25 9.428 -1.360 -5.564 1.00 4.23 O ATOM 340 CB ARG A 25 10.715 -4.189 -5.918 1.00 3.41 C ATOM 341 CG ARG A 25 9.806 -5.264 -6.425 1.00 14.02 C ATOM 342 CD ARG A 25 9.935 -6.517 -5.579 1.00 52.25 C ATOM 343 NE ARG A 25 9.126 -7.620 -6.092 1.00 14.23 N ATOM 344 CZ ARG A 25 8.715 -8.665 -5.371 1.00 33.44 C ATOM 345 NH1 ARG A 25 9.095 -8.802 -4.104 1.00 70.11 N ATOM 346 NH2 ARG A 25 7.940 -9.579 -5.929 1.00 41.31 N ATOM 0 H ARG A 25 11.797 -1.759 -5.438 1.00 11.34 H new ATOM 0 HA ARG A 25 10.814 -3.240 -7.826 1.00 14.31 H new ATOM 0 HB2 ARG A 25 11.724 -4.594 -5.837 1.00 3.41 H new ATOM 0 HB3 ARG A 25 10.401 -3.911 -4.912 1.00 3.41 H new ATOM 0 HG2 ARG A 25 8.774 -4.913 -6.409 1.00 14.02 H new ATOM 0 HG3 ARG A 25 10.048 -5.493 -7.463 1.00 14.02 H new ATOM 0 HD2 ARG A 25 10.981 -6.822 -5.544 1.00 52.25 H new ATOM 0 HD3 ARG A 25 9.633 -6.294 -4.556 1.00 52.25 H new ATOM 0 HE ARG A 25 8.855 -7.589 -7.075 1.00 14.23 H new ATOM 0 HH11 ARG A 25 9.705 -8.105 -3.676 1.00 70.11 H new ATOM 0 HH12 ARG A 25 8.776 -9.604 -3.560 1.00 70.11 H new ATOM 0 HH21 ARG A 25 7.660 -9.483 -6.905 1.00 41.31 H new ATOM 0 HH22 ARG A 25 7.622 -10.380 -5.384 1.00 41.31 H new ATOM 360 N LEU A 26 8.596 -2.075 -7.512 1.00 44.44 N ATOM 361 CA LEU A 26 7.478 -1.173 -7.428 1.00 51.53 C ATOM 362 C LEU A 26 6.304 -1.866 -6.751 1.00 65.25 C ATOM 363 O LEU A 26 5.814 -2.890 -7.222 1.00 63.32 O ATOM 364 CB LEU A 26 7.027 -0.723 -8.827 1.00 55.03 C ATOM 365 CG LEU A 26 6.500 0.725 -8.961 1.00 51.51 C ATOM 366 CD1 LEU A 26 5.599 1.143 -7.831 1.00 24.22 C ATOM 367 CD2 LEU A 26 7.623 1.713 -9.210 1.00 52.12 C ATOM 0 H LEU A 26 8.597 -2.691 -8.325 1.00 44.44 H new ATOM 0 HA LEU A 26 7.795 -0.304 -6.851 1.00 51.53 H new ATOM 0 HB2 LEU A 26 7.869 -0.842 -9.509 1.00 55.03 H new ATOM 0 HB3 LEU A 26 6.244 -1.402 -9.165 1.00 55.03 H new ATOM 0 HG LEU A 26 5.865 0.734 -9.847 1.00 51.51 H new ATOM 0 HD11 LEU A 26 5.267 2.169 -7.991 1.00 24.22 H new ATOM 0 HD12 LEU A 26 4.732 0.483 -7.793 1.00 24.22 H new ATOM 0 HD13 LEU A 26 6.144 1.080 -6.889 1.00 24.22 H new ATOM 0 HD21 LEU A 26 7.210 2.718 -9.298 1.00 52.12 H new ATOM 0 HD22 LEU A 26 8.327 1.681 -8.378 1.00 52.12 H new ATOM 0 HD23 LEU A 26 8.140 1.451 -10.133 1.00 52.12 H new ATOM 379 N TYR A 27 5.874 -1.312 -5.670 1.00 31.32 N ATOM 380 CA TYR A 27 4.721 -1.771 -4.972 1.00 73.21 C ATOM 381 C TYR A 27 3.527 -0.886 -5.290 1.00 22.22 C ATOM 382 O TYR A 27 3.535 0.305 -5.039 1.00 65.04 O ATOM 383 CB TYR A 27 4.993 -1.831 -3.458 1.00 54.52 C ATOM 384 CG TYR A 27 5.873 -2.987 -3.042 1.00 74.11 C ATOM 385 CD1 TYR A 27 7.261 -2.876 -3.029 1.00 33.23 C ATOM 386 CD2 TYR A 27 5.308 -4.199 -2.662 1.00 63.55 C ATOM 387 CE1 TYR A 27 8.058 -3.946 -2.650 1.00 53.03 C ATOM 388 CE2 TYR A 27 6.095 -5.268 -2.286 1.00 11.44 C ATOM 389 CZ TYR A 27 7.465 -5.138 -2.278 1.00 14.23 C ATOM 390 OH TYR A 27 8.245 -6.207 -1.912 1.00 20.33 O ATOM 0 H TYR A 27 6.325 -0.507 -5.235 1.00 31.32 H new ATOM 0 HA TYR A 27 4.486 -2.782 -5.304 1.00 73.21 H new ATOM 0 HB2 TYR A 27 5.462 -0.898 -3.145 1.00 54.52 H new ATOM 0 HB3 TYR A 27 4.042 -1.902 -2.930 1.00 54.52 H new ATOM 0 HD1 TYR A 27 7.723 -1.944 -3.318 1.00 33.23 H new ATOM 0 HD2 TYR A 27 4.233 -4.306 -2.661 1.00 63.55 H new ATOM 0 HE1 TYR A 27 9.134 -3.849 -2.646 1.00 53.03 H new ATOM 0 HE2 TYR A 27 5.638 -6.203 -1.999 1.00 11.44 H new ATOM 0 HH TYR A 27 7.671 -6.966 -1.679 1.00 20.33 H new ATOM 400 N ARG A 28 2.541 -1.469 -5.896 1.00 33.23 N ATOM 401 CA ARG A 28 1.306 -0.795 -6.198 1.00 21.31 C ATOM 402 C ARG A 28 0.323 -1.099 -5.133 1.00 22.51 C ATOM 403 O ARG A 28 0.381 -2.163 -4.504 1.00 32.53 O ATOM 404 CB ARG A 28 0.720 -1.270 -7.519 1.00 12.34 C ATOM 405 CG ARG A 28 1.417 -0.777 -8.737 1.00 2.45 C ATOM 406 CD ARG A 28 0.924 -1.495 -9.971 1.00 31.43 C ATOM 407 NE ARG A 28 1.661 -1.069 -11.158 1.00 63.13 N ATOM 408 CZ ARG A 28 2.713 -1.713 -11.669 1.00 5.14 C ATOM 409 NH1 ARG A 28 3.212 -2.773 -11.046 1.00 35.43 N ATOM 410 NH2 ARG A 28 3.282 -1.271 -12.776 1.00 34.44 N ATOM 0 H ARG A 28 2.566 -2.442 -6.202 1.00 33.23 H new ATOM 0 HA ARG A 28 1.513 0.273 -6.264 1.00 21.31 H new ATOM 0 HB2 ARG A 28 0.730 -2.360 -7.531 1.00 12.34 H new ATOM 0 HB3 ARG A 28 -0.324 -0.960 -7.567 1.00 12.34 H new ATOM 0 HG2 ARG A 28 1.252 0.295 -8.846 1.00 2.45 H new ATOM 0 HG3 ARG A 28 2.492 -0.925 -8.631 1.00 2.45 H new ATOM 0 HD2 ARG A 28 1.034 -2.571 -9.838 1.00 31.43 H new ATOM 0 HD3 ARG A 28 -0.139 -1.298 -10.109 1.00 31.43 H new ATOM 0 HE ARG A 28 1.350 -0.220 -11.630 1.00 63.13 H new ATOM 0 HH11 ARG A 28 2.792 -3.097 -10.175 1.00 35.43 H new ATOM 0 HH12 ARG A 28 4.016 -3.264 -11.438 1.00 35.43 H new ATOM 0 HH21 ARG A 28 2.918 -0.439 -13.239 1.00 34.44 H new ATOM 0 HH22 ARG A 28 4.086 -1.762 -13.167 1.00 34.44 H new ATOM 424 N LEU A 29 -0.580 -0.221 -4.940 1.00 10.05 N ATOM 425 CA LEU A 29 -1.606 -0.418 -3.991 1.00 53.15 C ATOM 426 C LEU A 29 -2.919 -0.524 -4.725 1.00 63.14 C ATOM 427 O LEU A 29 -3.173 0.241 -5.663 1.00 23.04 O ATOM 428 CB LEU A 29 -1.639 0.756 -3.002 1.00 70.42 C ATOM 429 CG LEU A 29 -0.306 1.071 -2.304 1.00 63.25 C ATOM 430 CD1 LEU A 29 -0.442 2.214 -1.336 1.00 4.43 C ATOM 431 CD2 LEU A 29 0.238 -0.134 -1.596 1.00 51.11 C ATOM 0 H LEU A 29 -0.631 0.666 -5.441 1.00 10.05 H new ATOM 0 HA LEU A 29 -1.425 -1.332 -3.426 1.00 53.15 H new ATOM 0 HB2 LEU A 29 -1.970 1.648 -3.534 1.00 70.42 H new ATOM 0 HB3 LEU A 29 -2.388 0.544 -2.239 1.00 70.42 H new ATOM 0 HG LEU A 29 0.396 1.364 -3.085 1.00 63.25 H new ATOM 0 HD11 LEU A 29 0.521 2.407 -0.863 1.00 4.43 H new ATOM 0 HD12 LEU A 29 -0.769 3.106 -1.870 1.00 4.43 H new ATOM 0 HD13 LEU A 29 -1.177 1.959 -0.573 1.00 4.43 H new ATOM 0 HD21 LEU A 29 1.181 0.123 -1.113 1.00 51.11 H new ATOM 0 HD22 LEU A 29 -0.476 -0.467 -0.843 1.00 51.11 H new ATOM 0 HD23 LEU A 29 0.406 -0.935 -2.317 1.00 51.11 H new ATOM 443 N CYS A 30 -3.692 -1.504 -4.375 1.00 64.13 N ATOM 444 CA CYS A 30 -5.031 -1.652 -4.887 1.00 4.22 C ATOM 445 C CYS A 30 -5.891 -1.932 -3.717 1.00 30.14 C ATOM 446 O CYS A 30 -5.438 -2.604 -2.768 1.00 45.11 O ATOM 447 CB CYS A 30 -5.145 -2.756 -5.961 1.00 24.01 C ATOM 448 SG CYS A 30 -4.739 -4.436 -5.462 1.00 44.14 S ATOM 0 H CYS A 30 -3.415 -2.235 -3.720 1.00 64.13 H new ATOM 0 HA CYS A 30 -5.342 -0.742 -5.399 1.00 4.22 H new ATOM 0 HB2 CYS A 30 -6.167 -2.754 -6.340 1.00 24.01 H new ATOM 0 HB3 CYS A 30 -4.496 -2.485 -6.794 1.00 24.01 H new ATOM 453 N CYS A 31 -7.077 -1.417 -3.701 1.00 32.42 N ATOM 454 CA CYS A 31 -7.854 -1.579 -2.531 1.00 43.43 C ATOM 455 C CYS A 31 -9.272 -2.009 -2.851 1.00 33.13 C ATOM 456 O CYS A 31 -9.885 -1.542 -3.823 1.00 3.52 O ATOM 457 CB CYS A 31 -7.817 -0.298 -1.720 1.00 24.41 C ATOM 458 SG CYS A 31 -8.297 -0.514 0.005 1.00 74.52 S ATOM 0 H CYS A 31 -7.513 -0.897 -4.463 1.00 32.42 H new ATOM 0 HA CYS A 31 -7.424 -2.382 -1.932 1.00 43.43 H new ATOM 0 HB2 CYS A 31 -6.809 0.116 -1.758 1.00 24.41 H new ATOM 0 HB3 CYS A 31 -8.480 0.433 -2.183 1.00 24.41 H new ATOM 463 N ARG A 32 -9.771 -2.905 -2.038 1.00 4.11 N ATOM 464 CA ARG A 32 -11.095 -3.481 -2.179 1.00 21.14 C ATOM 465 C ARG A 32 -11.930 -3.153 -0.942 1.00 34.04 C ATOM 466 O ARG A 32 -11.366 -2.737 0.100 1.00 1.40 O ATOM 467 CB ARG A 32 -10.972 -5.007 -2.353 1.00 10.51 C ATOM 468 CG ARG A 32 -10.261 -5.698 -1.188 1.00 60.23 C ATOM 469 CD ARG A 32 -10.121 -7.198 -1.388 1.00 32.14 C ATOM 470 NE ARG A 32 -11.422 -7.883 -1.438 1.00 51.42 N ATOM 471 CZ ARG A 32 -11.655 -9.083 -1.998 1.00 61.15 C ATOM 472 NH1 ARG A 32 -10.685 -9.727 -2.642 1.00 11.34 N ATOM 473 NH2 ARG A 32 -12.871 -9.618 -1.927 1.00 11.31 N ATOM 0 H ARG A 32 -9.257 -3.268 -1.235 1.00 4.11 H new ATOM 0 HA ARG A 32 -11.588 -3.062 -3.056 1.00 21.14 H new ATOM 0 HB2 ARG A 32 -11.969 -5.434 -2.465 1.00 10.51 H new ATOM 0 HB3 ARG A 32 -10.430 -5.217 -3.275 1.00 10.51 H new ATOM 0 HG2 ARG A 32 -9.271 -5.259 -1.061 1.00 60.23 H new ATOM 0 HG3 ARG A 32 -10.814 -5.509 -0.268 1.00 60.23 H new ATOM 0 HD2 ARG A 32 -9.578 -7.389 -2.313 1.00 32.14 H new ATOM 0 HD3 ARG A 32 -9.525 -7.616 -0.577 1.00 32.14 H new ATOM 0 HE ARG A 32 -12.216 -7.406 -1.011 1.00 51.42 H new ATOM 0 HH11 ARG A 32 -9.757 -9.311 -2.714 1.00 11.34 H new ATOM 0 HH12 ARG A 32 -10.870 -10.637 -3.064 1.00 11.34 H new ATOM 0 HH21 ARG A 32 -13.621 -9.118 -1.450 1.00 11.31 H new ATOM 0 HH22 ARG A 32 -13.053 -10.528 -2.350 1.00 11.31 H new TER 487 ARG A 32 ATOM 488 N ALA B 101 -9.744 6.469 -5.069 1.00 11.22 N ATOM 489 CA ALA B 101 -9.000 5.770 -4.038 1.00 5.43 C ATOM 490 C ALA B 101 -7.570 6.290 -3.957 1.00 5.22 C ATOM 491 O ALA B 101 -6.783 6.125 -4.897 1.00 63.14 O ATOM 492 CB ALA B 101 -8.999 4.265 -4.308 1.00 3.41 C ATOM 0 HA ALA B 101 -9.489 5.955 -3.082 1.00 5.43 H new ATOM 0 HB1 ALA B 101 -8.437 3.755 -3.526 1.00 3.41 H new ATOM 0 HB2 ALA B 101 -10.025 3.896 -4.317 1.00 3.41 H new ATOM 0 HB3 ALA B 101 -8.535 4.069 -5.275 1.00 3.41 H new ATOM 498 N THR B 102 -7.239 6.945 -2.875 1.00 41.22 N ATOM 499 CA THR B 102 -5.891 7.383 -2.679 1.00 3.00 C ATOM 500 C THR B 102 -5.316 6.636 -1.490 1.00 71.20 C ATOM 501 O THR B 102 -5.725 6.854 -0.352 1.00 31.13 O ATOM 502 CB THR B 102 -5.844 8.903 -2.412 1.00 44.41 C ATOM 503 OG1 THR B 102 -6.490 9.595 -3.494 1.00 64.51 O ATOM 504 CG2 THR B 102 -4.406 9.394 -2.292 1.00 33.10 C ATOM 0 H THR B 102 -7.884 7.184 -2.122 1.00 41.22 H new ATOM 0 HA THR B 102 -5.307 7.179 -3.577 1.00 3.00 H new ATOM 0 HB THR B 102 -6.359 9.104 -1.472 1.00 44.41 H new ATOM 0 HG1 THR B 102 -6.464 10.560 -3.327 1.00 64.51 H new ATOM 0 HG21 THR B 102 -4.403 10.468 -2.104 1.00 33.10 H new ATOM 0 HG22 THR B 102 -3.914 8.880 -1.467 1.00 33.10 H new ATOM 0 HG23 THR B 102 -3.872 9.186 -3.219 1.00 33.10 H new ATOM 512 N CYS B 103 -4.380 5.770 -1.748 1.00 4.32 N ATOM 513 CA CYS B 103 -3.778 4.979 -0.708 1.00 5.31 C ATOM 514 C CYS B 103 -2.289 5.261 -0.735 1.00 31.20 C ATOM 515 O CYS B 103 -1.762 5.697 -1.774 1.00 21.03 O ATOM 516 CB CYS B 103 -3.992 3.465 -0.958 1.00 15.14 C ATOM 517 SG CYS B 103 -5.721 2.843 -1.253 1.00 1.32 S ATOM 0 H CYS B 103 -4.011 5.590 -2.682 1.00 4.32 H new ATOM 0 HA CYS B 103 -4.230 5.235 0.250 1.00 5.31 H new ATOM 0 HB2 CYS B 103 -3.388 3.184 -1.821 1.00 15.14 H new ATOM 0 HB3 CYS B 103 -3.590 2.928 -0.099 1.00 15.14 H new ATOM 522 N TYR B 104 -1.604 5.017 0.357 1.00 60.52 N ATOM 523 CA TYR B 104 -0.183 5.236 0.398 1.00 55.11 C ATOM 524 C TYR B 104 0.491 4.381 1.429 1.00 33.33 C ATOM 525 O TYR B 104 -0.093 4.057 2.479 1.00 0.15 O ATOM 526 CB TYR B 104 0.210 6.724 0.506 1.00 51.15 C ATOM 527 CG TYR B 104 -0.375 7.499 1.667 1.00 2.12 C ATOM 528 CD1 TYR B 104 0.279 7.570 2.890 1.00 34.52 C ATOM 529 CD2 TYR B 104 -1.565 8.196 1.518 1.00 52.21 C ATOM 530 CE1 TYR B 104 -0.234 8.316 3.927 1.00 3.43 C ATOM 531 CE2 TYR B 104 -2.093 8.933 2.547 1.00 14.21 C ATOM 532 CZ TYR B 104 -1.429 8.999 3.748 1.00 43.04 C ATOM 533 OH TYR B 104 -1.951 9.771 4.775 1.00 52.35 O ATOM 0 H TYR B 104 -2.009 4.668 1.226 1.00 60.52 H new ATOM 0 HA TYR B 104 0.195 4.914 -0.572 1.00 55.11 H new ATOM 0 HB2 TYR B 104 1.296 6.785 0.569 1.00 51.15 H new ATOM 0 HB3 TYR B 104 -0.084 7.222 -0.418 1.00 51.15 H new ATOM 0 HD1 TYR B 104 1.205 7.031 3.030 1.00 34.52 H new ATOM 0 HD2 TYR B 104 -2.086 8.158 0.573 1.00 52.21 H new ATOM 0 HE1 TYR B 104 0.288 8.369 4.871 1.00 3.43 H new ATOM 0 HE2 TYR B 104 -3.027 9.459 2.414 1.00 14.21 H new ATOM 0 HH TYR B 104 -2.791 10.181 4.482 1.00 52.35 H new ATOM 543 N CYS B 105 1.693 4.000 1.114 1.00 64.44 N ATOM 544 CA CYS B 105 2.488 3.150 1.939 1.00 12.34 C ATOM 545 C CYS B 105 3.227 4.020 2.954 1.00 32.33 C ATOM 546 O CYS B 105 3.927 4.965 2.570 1.00 1.32 O ATOM 547 CB CYS B 105 3.508 2.421 1.045 1.00 51.34 C ATOM 548 SG CYS B 105 2.775 1.660 -0.442 1.00 55.43 S ATOM 0 H CYS B 105 2.158 4.282 0.251 1.00 64.44 H new ATOM 0 HA CYS B 105 1.867 2.421 2.460 1.00 12.34 H new ATOM 0 HB2 CYS B 105 4.278 3.129 0.737 1.00 51.34 H new ATOM 0 HB3 CYS B 105 4.003 1.647 1.631 1.00 51.34 H new ATOM 553 N ARG B 106 3.061 3.744 4.226 1.00 62.42 N ATOM 554 CA ARG B 106 3.761 4.501 5.257 1.00 40.25 C ATOM 555 C ARG B 106 4.372 3.543 6.256 1.00 50.24 C ATOM 556 O ARG B 106 3.844 2.467 6.480 1.00 23.21 O ATOM 557 CB ARG B 106 2.865 5.551 5.996 1.00 51.21 C ATOM 558 CG ARG B 106 1.710 4.974 6.807 1.00 33.34 C ATOM 559 CD ARG B 106 0.582 4.468 5.937 1.00 61.11 C ATOM 560 NE ARG B 106 -0.329 3.521 6.638 1.00 23.53 N ATOM 561 CZ ARG B 106 -1.055 3.734 7.767 1.00 32.35 C ATOM 562 NH1 ARG B 106 -0.935 4.837 8.450 1.00 53.21 N ATOM 563 NH2 ARG B 106 -1.904 2.804 8.196 1.00 42.35 N ATOM 0 H ARG B 106 2.452 3.006 4.579 1.00 62.42 H new ATOM 0 HA ARG B 106 4.535 5.076 4.749 1.00 40.25 H new ATOM 0 HB2 ARG B 106 3.497 6.137 6.663 1.00 51.21 H new ATOM 0 HB3 ARG B 106 2.458 6.240 5.256 1.00 51.21 H new ATOM 0 HG2 ARG B 106 2.079 4.157 7.427 1.00 33.34 H new ATOM 0 HG3 ARG B 106 1.327 5.739 7.482 1.00 33.34 H new ATOM 0 HD2 ARG B 106 0.002 5.318 5.576 1.00 61.11 H new ATOM 0 HD3 ARG B 106 1.003 3.974 5.061 1.00 61.11 H new ATOM 0 HE ARG B 106 -0.419 2.596 6.218 1.00 23.53 H new ATOM 0 HH11 ARG B 106 -0.287 5.561 8.140 1.00 53.21 H new ATOM 0 HH12 ARG B 106 -1.489 4.977 9.295 1.00 53.21 H new ATOM 0 HH21 ARG B 106 -2.010 1.932 7.678 1.00 42.35 H new ATOM 0 HH22 ARG B 106 -2.449 2.963 9.043 1.00 42.35 H new ATOM 577 N THR B 107 5.449 3.942 6.858 1.00 71.23 N ATOM 578 CA THR B 107 6.178 3.099 7.786 1.00 43.21 C ATOM 579 C THR B 107 5.614 3.166 9.199 1.00 71.41 C ATOM 580 O THR B 107 6.100 2.500 10.109 1.00 62.45 O ATOM 581 CB THR B 107 7.662 3.477 7.790 1.00 20.14 C ATOM 582 OG1 THR B 107 7.806 4.896 8.036 1.00 3.02 O ATOM 583 CG2 THR B 107 8.295 3.126 6.456 1.00 34.42 C ATOM 0 H THR B 107 5.859 4.867 6.726 1.00 71.23 H new ATOM 0 HA THR B 107 6.065 2.070 7.443 1.00 43.21 H new ATOM 0 HB THR B 107 8.164 2.919 8.580 1.00 20.14 H new ATOM 0 HG1 THR B 107 8.757 5.133 8.039 1.00 3.02 H new ATOM 0 HG21 THR B 107 9.350 3.399 6.471 1.00 34.42 H new ATOM 0 HG22 THR B 107 8.200 2.055 6.279 1.00 34.42 H new ATOM 0 HG23 THR B 107 7.790 3.672 5.659 1.00 34.42 H new ATOM 591 N GLY B 108 4.585 3.946 9.370 1.00 42.13 N ATOM 592 CA GLY B 108 3.984 4.103 10.652 1.00 54.32 C ATOM 593 C GLY B 108 2.562 4.497 10.507 1.00 34.15 C ATOM 594 O GLY B 108 1.792 3.805 9.846 1.00 64.04 O ATOM 0 H GLY B 108 4.145 4.486 8.625 1.00 42.13 H new ATOM 0 HA2 GLY B 108 4.055 3.170 11.212 1.00 54.32 H new ATOM 0 HA3 GLY B 108 4.522 4.859 11.224 1.00 54.32 H new ATOM 598 N ARG B 109 2.214 5.610 11.055 1.00 13.43 N ATOM 599 CA ARG B 109 0.866 6.083 10.975 1.00 73.55 C ATOM 600 C ARG B 109 0.775 7.112 9.855 1.00 51.23 C ATOM 601 O ARG B 109 1.770 7.398 9.192 1.00 1.22 O ATOM 602 CB ARG B 109 0.420 6.684 12.307 1.00 61.45 C ATOM 603 CG ARG B 109 1.188 7.922 12.713 1.00 3.34 C ATOM 604 CD ARG B 109 0.755 8.413 14.074 1.00 51.40 C ATOM 605 NE ARG B 109 1.387 9.680 14.434 1.00 34.41 N ATOM 606 CZ ARG B 109 1.864 9.982 15.654 1.00 33.51 C ATOM 607 NH1 ARG B 109 1.918 9.049 16.608 1.00 54.14 N ATOM 608 NH2 ARG B 109 2.310 11.206 15.904 1.00 71.43 N ATOM 0 H ARG B 109 2.849 6.219 11.570 1.00 13.43 H new ATOM 0 HA ARG B 109 0.199 5.249 10.757 1.00 73.55 H new ATOM 0 HB2 ARG B 109 -0.640 6.931 12.245 1.00 61.45 H new ATOM 0 HB3 ARG B 109 0.527 5.931 13.087 1.00 61.45 H new ATOM 0 HG2 ARG B 109 2.256 7.703 12.726 1.00 3.34 H new ATOM 0 HG3 ARG B 109 1.033 8.708 11.974 1.00 3.34 H new ATOM 0 HD2 ARG B 109 -0.328 8.534 14.086 1.00 51.40 H new ATOM 0 HD3 ARG B 109 1.001 7.661 14.824 1.00 51.40 H new ATOM 0 HE ARG B 109 1.473 10.388 13.705 1.00 34.41 H new ATOM 0 HH11 ARG B 109 1.596 8.101 16.413 1.00 54.14 H new ATOM 0 HH12 ARG B 109 2.281 9.284 17.532 1.00 54.14 H new ATOM 0 HH21 ARG B 109 2.290 11.915 15.171 1.00 71.43 H new ATOM 0 HH22 ARG B 109 2.672 11.438 16.829 1.00 71.43 H new ATOM 622 N CYS B 110 -0.396 7.632 9.613 1.00 2.14 N ATOM 623 CA CYS B 110 -0.558 8.637 8.587 1.00 62.10 C ATOM 624 C CYS B 110 -1.545 9.665 9.050 1.00 54.43 C ATOM 625 O CYS B 110 -2.395 9.369 9.910 1.00 71.33 O ATOM 626 CB CYS B 110 -1.000 8.019 7.254 1.00 54.21 C ATOM 627 SG CYS B 110 -2.570 7.153 7.288 1.00 61.54 S ATOM 0 H CYS B 110 -1.252 7.381 10.107 1.00 2.14 H new ATOM 0 HA CYS B 110 0.407 9.113 8.413 1.00 62.10 H new ATOM 0 HB2 CYS B 110 -1.058 8.811 6.508 1.00 54.21 H new ATOM 0 HB3 CYS B 110 -0.229 7.324 6.922 1.00 54.21 H new ATOM 632 N ALA B 111 -1.441 10.857 8.515 1.00 25.54 N ATOM 633 CA ALA B 111 -2.307 11.933 8.888 1.00 21.34 C ATOM 634 C ALA B 111 -3.671 11.779 8.251 1.00 2.34 C ATOM 635 O ALA B 111 -3.919 12.259 7.152 1.00 61.12 O ATOM 636 CB ALA B 111 -1.688 13.275 8.566 1.00 4.43 C ATOM 0 H ALA B 111 -0.749 11.102 7.807 1.00 25.54 H new ATOM 0 HA ALA B 111 -2.444 11.893 9.969 1.00 21.34 H new ATOM 0 HB1 ALA B 111 -2.371 14.071 8.862 1.00 4.43 H new ATOM 0 HB2 ALA B 111 -0.749 13.382 9.109 1.00 4.43 H new ATOM 0 HB3 ALA B 111 -1.497 13.340 7.495 1.00 4.43 H new ATOM 642 N THR B 112 -4.493 11.030 8.930 1.00 74.52 N ATOM 643 CA THR B 112 -5.864 10.748 8.582 1.00 71.03 C ATOM 644 C THR B 112 -6.337 9.651 9.525 1.00 30.40 C ATOM 645 O THR B 112 -7.453 9.703 10.048 1.00 73.03 O ATOM 646 CB THR B 112 -6.082 10.333 7.058 1.00 41.30 C ATOM 647 OG1 THR B 112 -7.479 10.156 6.771 1.00 11.11 O ATOM 648 CG2 THR B 112 -5.331 9.061 6.675 1.00 72.44 C ATOM 0 H THR B 112 -4.210 10.570 9.795 1.00 74.52 H new ATOM 0 HA THR B 112 -6.449 11.661 8.692 1.00 71.03 H new ATOM 0 HB THR B 112 -5.678 11.153 6.464 1.00 41.30 H new ATOM 0 HG1 THR B 112 -7.590 9.903 5.831 1.00 11.11 H new ATOM 0 HG21 THR B 112 -5.518 8.830 5.626 1.00 72.44 H new ATOM 0 HG22 THR B 112 -4.262 9.209 6.828 1.00 72.44 H new ATOM 0 HG23 THR B 112 -5.675 8.234 7.296 1.00 72.44 H new ATOM 656 N ARG B 113 -5.425 8.677 9.783 1.00 4.33 N ATOM 657 CA ARG B 113 -5.667 7.550 10.691 1.00 60.34 C ATOM 658 C ARG B 113 -6.951 6.794 10.311 1.00 25.14 C ATOM 659 O ARG B 113 -7.384 6.820 9.147 1.00 21.25 O ATOM 660 CB ARG B 113 -5.750 8.039 12.153 1.00 4.22 C ATOM 661 CG ARG B 113 -4.494 8.715 12.685 1.00 1.33 C ATOM 662 CD ARG B 113 -3.272 7.789 12.676 1.00 63.23 C ATOM 663 NE ARG B 113 -3.476 6.550 13.452 1.00 74.33 N ATOM 664 CZ ARG B 113 -2.921 6.282 14.649 1.00 14.12 C ATOM 665 NH1 ARG B 113 -2.282 7.238 15.324 1.00 44.10 N ATOM 666 NH2 ARG B 113 -3.047 5.070 15.186 1.00 52.52 N ATOM 0 H ARG B 113 -4.498 8.662 9.358 1.00 4.33 H new ATOM 0 HA ARG B 113 -4.827 6.862 10.597 1.00 60.34 H new ATOM 0 HB2 ARG B 113 -6.583 8.737 12.239 1.00 4.22 H new ATOM 0 HB3 ARG B 113 -5.982 7.187 12.791 1.00 4.22 H new ATOM 0 HG2 ARG B 113 -4.279 9.598 12.083 1.00 1.33 H new ATOM 0 HG3 ARG B 113 -4.676 9.060 13.703 1.00 1.33 H new ATOM 0 HD2 ARG B 113 -3.029 7.529 11.646 1.00 63.23 H new ATOM 0 HD3 ARG B 113 -2.414 8.326 13.080 1.00 63.23 H new ATOM 0 HE ARG B 113 -4.087 5.840 13.049 1.00 74.33 H new ATOM 0 HH11 ARG B 113 -2.212 8.178 14.934 1.00 44.10 H new ATOM 0 HH12 ARG B 113 -1.863 7.029 16.230 1.00 44.10 H new ATOM 0 HH21 ARG B 113 -3.564 4.344 14.690 1.00 52.52 H new ATOM 0 HH22 ARG B 113 -2.626 4.868 16.093 1.00 52.52 H new ATOM 680 N GLU B 114 -7.500 6.078 11.289 1.00 73.51 N ATOM 681 CA GLU B 114 -8.748 5.334 11.192 1.00 1.50 C ATOM 682 C GLU B 114 -8.640 4.077 10.349 1.00 41.11 C ATOM 683 O GLU B 114 -8.894 2.978 10.841 1.00 30.35 O ATOM 684 CB GLU B 114 -9.922 6.208 10.734 1.00 60.32 C ATOM 685 CG GLU B 114 -10.211 7.375 11.656 1.00 10.20 C ATOM 686 CD GLU B 114 -11.399 8.170 11.213 1.00 30.40 C ATOM 687 OE1 GLU B 114 -11.244 9.079 10.381 1.00 52.40 O ATOM 688 OE2 GLU B 114 -12.517 7.903 11.699 1.00 44.44 O ATOM 0 H GLU B 114 -7.067 5.999 12.209 1.00 73.51 H new ATOM 0 HA GLU B 114 -8.958 5.008 12.210 1.00 1.50 H new ATOM 0 HB2 GLU B 114 -9.711 6.590 9.735 1.00 60.32 H new ATOM 0 HB3 GLU B 114 -10.815 5.588 10.656 1.00 60.32 H new ATOM 0 HG2 GLU B 114 -10.382 7.003 12.666 1.00 10.20 H new ATOM 0 HG3 GLU B 114 -9.337 8.025 11.700 1.00 10.20 H new ATOM 695 N SER B 115 -8.245 4.214 9.122 1.00 43.55 N ATOM 696 CA SER B 115 -8.239 3.098 8.245 1.00 14.11 C ATOM 697 C SER B 115 -6.827 2.583 7.909 1.00 53.04 C ATOM 698 O SER B 115 -6.184 3.051 6.968 1.00 73.32 O ATOM 699 CB SER B 115 -9.050 3.413 6.971 1.00 40.42 C ATOM 700 OG SER B 115 -9.152 2.291 6.112 1.00 12.23 O ATOM 0 H SER B 115 -7.923 5.090 8.710 1.00 43.55 H new ATOM 0 HA SER B 115 -8.722 2.279 8.777 1.00 14.11 H new ATOM 0 HB2 SER B 115 -10.049 3.746 7.251 1.00 40.42 H new ATOM 0 HB3 SER B 115 -8.578 4.237 6.436 1.00 40.42 H new ATOM 0 HG SER B 115 -9.674 2.533 5.319 1.00 12.23 H new ATOM 706 N LEU B 116 -6.320 1.680 8.739 1.00 12.24 N ATOM 707 CA LEU B 116 -5.144 0.919 8.383 1.00 1.45 C ATOM 708 C LEU B 116 -5.710 -0.295 7.703 1.00 60.14 C ATOM 709 O LEU B 116 -6.381 -1.124 8.327 1.00 70.12 O ATOM 710 CB LEU B 116 -4.268 0.576 9.634 1.00 14.12 C ATOM 711 CG LEU B 116 -2.917 -0.207 9.463 1.00 0.55 C ATOM 712 CD1 LEU B 116 -2.242 -0.286 10.804 1.00 21.43 C ATOM 713 CD2 LEU B 116 -3.147 -1.622 8.966 1.00 45.33 C ATOM 0 H LEU B 116 -6.707 1.462 9.657 1.00 12.24 H new ATOM 0 HA LEU B 116 -4.456 1.465 7.737 1.00 1.45 H new ATOM 0 HB2 LEU B 116 -4.035 1.517 10.133 1.00 14.12 H new ATOM 0 HB3 LEU B 116 -4.892 -0.001 10.317 1.00 14.12 H new ATOM 0 HG LEU B 116 -2.306 0.322 8.732 1.00 0.55 H new ATOM 0 HD11 LEU B 116 -1.301 -0.827 10.706 1.00 21.43 H new ATOM 0 HD12 LEU B 116 -2.045 0.721 11.172 1.00 21.43 H new ATOM 0 HD13 LEU B 116 -2.890 -0.809 11.507 1.00 21.43 H new ATOM 0 HD21 LEU B 116 -2.189 -2.131 8.860 1.00 45.33 H new ATOM 0 HD22 LEU B 116 -3.768 -2.162 9.681 1.00 45.33 H new ATOM 0 HD23 LEU B 116 -3.650 -1.591 7.999 1.00 45.33 H new ATOM 725 N SER B 117 -5.473 -0.379 6.458 1.00 34.23 N ATOM 726 CA SER B 117 -6.148 -1.324 5.613 1.00 13.45 C ATOM 727 C SER B 117 -5.289 -2.503 5.211 1.00 12.31 C ATOM 728 O SER B 117 -5.781 -3.464 4.606 1.00 12.24 O ATOM 729 CB SER B 117 -6.633 -0.573 4.401 1.00 12.04 C ATOM 730 OG SER B 117 -5.564 0.160 3.813 1.00 51.10 O ATOM 0 H SER B 117 -4.796 0.208 5.970 1.00 34.23 H new ATOM 0 HA SER B 117 -6.976 -1.761 6.171 1.00 13.45 H new ATOM 0 HB2 SER B 117 -7.047 -1.271 3.674 1.00 12.04 H new ATOM 0 HB3 SER B 117 -7.437 0.107 4.684 1.00 12.04 H new ATOM 0 HG SER B 117 -5.847 0.508 2.942 1.00 51.10 H new ATOM 736 N GLY B 118 -4.028 -2.427 5.507 1.00 53.04 N ATOM 737 CA GLY B 118 -3.145 -3.481 5.157 1.00 22.41 C ATOM 738 C GLY B 118 -1.774 -3.223 5.672 1.00 45.10 C ATOM 739 O GLY B 118 -1.465 -2.095 6.086 1.00 52.02 O ATOM 0 H GLY B 118 -3.593 -1.642 5.991 1.00 53.04 H new ATOM 0 HA2 GLY B 118 -3.518 -4.422 5.562 1.00 22.41 H new ATOM 0 HA3 GLY B 118 -3.115 -3.590 4.073 1.00 22.41 H new ATOM 743 N VAL B 119 -0.975 -4.242 5.689 1.00 32.54 N ATOM 744 CA VAL B 119 0.416 -4.149 6.067 1.00 63.32 C ATOM 745 C VAL B 119 1.264 -4.954 5.130 1.00 70.10 C ATOM 746 O VAL B 119 0.836 -6.000 4.621 1.00 70.01 O ATOM 747 CB VAL B 119 0.718 -4.598 7.533 1.00 0.34 C ATOM 748 CG1 VAL B 119 0.270 -3.561 8.539 1.00 2.55 C ATOM 749 CG2 VAL B 119 0.063 -5.937 7.835 1.00 1.25 C ATOM 0 H VAL B 119 -1.269 -5.186 5.437 1.00 32.54 H new ATOM 0 HA VAL B 119 0.659 -3.088 6.006 1.00 63.32 H new ATOM 0 HB VAL B 119 1.799 -4.707 7.621 1.00 0.34 H new ATOM 0 HG11 VAL B 119 0.497 -3.910 9.547 1.00 2.55 H new ATOM 0 HG12 VAL B 119 0.794 -2.623 8.353 1.00 2.55 H new ATOM 0 HG13 VAL B 119 -0.804 -3.402 8.444 1.00 2.55 H new ATOM 0 HG21 VAL B 119 0.287 -6.229 8.861 1.00 1.25 H new ATOM 0 HG22 VAL B 119 -1.016 -5.850 7.710 1.00 1.25 H new ATOM 0 HG23 VAL B 119 0.448 -6.693 7.151 1.00 1.25 H new ATOM 759 N CYS B 120 2.413 -4.458 4.872 1.00 1.13 N ATOM 760 CA CYS B 120 3.389 -5.134 4.088 1.00 4.51 C ATOM 761 C CYS B 120 4.747 -4.861 4.650 1.00 2.43 C ATOM 762 O CYS B 120 5.180 -3.730 4.720 1.00 42.45 O ATOM 763 CB CYS B 120 3.301 -4.760 2.583 1.00 43.53 C ATOM 764 SG CYS B 120 3.246 -2.986 2.192 1.00 24.01 S ATOM 0 H CYS B 120 2.716 -3.544 5.207 1.00 1.13 H new ATOM 0 HA CYS B 120 3.191 -6.205 4.138 1.00 4.51 H new ATOM 0 HB2 CYS B 120 4.160 -5.196 2.072 1.00 43.53 H new ATOM 0 HB3 CYS B 120 2.410 -5.229 2.166 1.00 43.53 H new ATOM 769 N GLU B 121 5.401 -5.871 5.094 1.00 4.21 N ATOM 770 CA GLU B 121 6.706 -5.697 5.610 1.00 34.01 C ATOM 771 C GLU B 121 7.658 -6.038 4.534 1.00 12.44 C ATOM 772 O GLU B 121 7.631 -7.140 3.974 1.00 11.43 O ATOM 773 CB GLU B 121 6.908 -6.498 6.899 1.00 1.41 C ATOM 774 CG GLU B 121 8.302 -6.400 7.545 1.00 50.15 C ATOM 775 CD GLU B 121 9.365 -7.257 6.880 1.00 25.23 C ATOM 776 OE1 GLU B 121 9.429 -8.463 7.182 1.00 74.12 O ATOM 777 OE2 GLU B 121 10.137 -6.753 6.059 1.00 33.10 O ATOM 0 H GLU B 121 5.052 -6.829 5.110 1.00 4.21 H new ATOM 0 HA GLU B 121 6.878 -4.662 5.907 1.00 34.01 H new ATOM 0 HB2 GLU B 121 6.168 -6.168 7.628 1.00 1.41 H new ATOM 0 HB3 GLU B 121 6.701 -7.547 6.687 1.00 1.41 H new ATOM 0 HG2 GLU B 121 8.626 -5.360 7.524 1.00 50.15 H new ATOM 0 HG3 GLU B 121 8.224 -6.688 8.593 1.00 50.15 H new ATOM 784 N ILE B 122 8.469 -5.087 4.220 1.00 14.34 N ATOM 785 CA ILE B 122 9.353 -5.175 3.111 1.00 1.41 C ATOM 786 C ILE B 122 10.709 -4.691 3.560 1.00 1.11 C ATOM 787 O ILE B 122 10.810 -3.647 4.194 1.00 43.10 O ATOM 788 CB ILE B 122 8.851 -4.271 1.945 1.00 72.52 C ATOM 789 CG1 ILE B 122 7.349 -4.519 1.695 1.00 50.20 C ATOM 790 CG2 ILE B 122 9.658 -4.555 0.680 1.00 11.01 C ATOM 791 CD1 ILE B 122 6.739 -3.593 0.702 1.00 44.14 C ATOM 0 H ILE B 122 8.537 -4.210 4.737 1.00 14.34 H new ATOM 0 HA ILE B 122 9.401 -6.205 2.758 1.00 1.41 H new ATOM 0 HB ILE B 122 8.990 -3.225 2.218 1.00 72.52 H new ATOM 0 HG12 ILE B 122 7.213 -5.544 1.351 1.00 50.20 H new ATOM 0 HG13 ILE B 122 6.814 -4.426 2.640 1.00 50.20 H new ATOM 0 HG21 ILE B 122 9.301 -3.919 -0.130 1.00 11.01 H new ATOM 0 HG22 ILE B 122 10.712 -4.348 0.866 1.00 11.01 H new ATOM 0 HG23 ILE B 122 9.538 -5.601 0.399 1.00 11.01 H new ATOM 0 HD11 ILE B 122 5.682 -3.832 0.582 1.00 44.14 H new ATOM 0 HD12 ILE B 122 6.841 -2.566 1.052 1.00 44.14 H new ATOM 0 HD13 ILE B 122 7.246 -3.702 -0.257 1.00 44.14 H new ATOM 803 N SER B 123 11.728 -5.460 3.248 1.00 64.45 N ATOM 804 CA SER B 123 13.147 -5.183 3.593 1.00 30.05 C ATOM 805 C SER B 123 13.371 -4.919 5.110 1.00 55.13 C ATOM 806 O SER B 123 14.310 -4.228 5.496 1.00 73.20 O ATOM 807 CB SER B 123 13.689 -4.000 2.731 1.00 13.32 C ATOM 808 OG SER B 123 12.937 -2.799 2.910 1.00 33.40 O ATOM 0 H SER B 123 11.611 -6.331 2.729 1.00 64.45 H new ATOM 0 HA SER B 123 13.712 -6.086 3.361 1.00 30.05 H new ATOM 0 HB2 SER B 123 14.731 -3.814 2.991 1.00 13.32 H new ATOM 0 HB3 SER B 123 13.669 -4.283 1.679 1.00 13.32 H new ATOM 0 HG SER B 123 12.336 -2.901 3.677 1.00 33.40 H new ATOM 814 N GLY B 124 12.561 -5.551 5.956 1.00 10.55 N ATOM 815 CA GLY B 124 12.702 -5.388 7.392 1.00 21.41 C ATOM 816 C GLY B 124 12.136 -4.066 7.862 1.00 24.35 C ATOM 817 O GLY B 124 12.512 -3.553 8.918 1.00 10.43 O ATOM 0 H GLY B 124 11.807 -6.175 5.670 1.00 10.55 H new ATOM 0 HA2 GLY B 124 12.192 -6.205 7.903 1.00 21.41 H new ATOM 0 HA3 GLY B 124 13.756 -5.450 7.664 1.00 21.41 H new ATOM 821 N ARG B 125 11.250 -3.520 7.079 1.00 42.44 N ATOM 822 CA ARG B 125 10.639 -2.257 7.331 1.00 4.24 C ATOM 823 C ARG B 125 9.135 -2.454 7.148 1.00 51.00 C ATOM 824 O ARG B 125 8.716 -3.113 6.192 1.00 53.23 O ATOM 825 CB ARG B 125 11.205 -1.299 6.287 1.00 22.22 C ATOM 826 CG ARG B 125 10.883 0.150 6.455 1.00 43.04 C ATOM 827 CD ARG B 125 11.618 0.947 5.383 1.00 25.35 C ATOM 828 NE ARG B 125 11.416 2.398 5.471 1.00 63.53 N ATOM 829 CZ ARG B 125 11.877 3.283 4.572 1.00 71.03 C ATOM 830 NH1 ARG B 125 12.572 2.861 3.517 1.00 61.32 N ATOM 831 NH2 ARG B 125 11.634 4.584 4.729 1.00 40.44 N ATOM 0 H ARG B 125 10.925 -3.962 6.219 1.00 42.44 H new ATOM 0 HA ARG B 125 10.827 -1.863 8.330 1.00 4.24 H new ATOM 0 HB2 ARG B 125 12.290 -1.407 6.280 1.00 22.22 H new ATOM 0 HB3 ARG B 125 10.847 -1.615 5.307 1.00 22.22 H new ATOM 0 HG2 ARG B 125 9.808 0.309 6.372 1.00 43.04 H new ATOM 0 HG3 ARG B 125 11.180 0.490 7.447 1.00 43.04 H new ATOM 0 HD2 ARG B 125 12.685 0.734 5.455 1.00 25.35 H new ATOM 0 HD3 ARG B 125 11.290 0.604 4.402 1.00 25.35 H new ATOM 0 HE ARG B 125 10.891 2.758 6.268 1.00 63.53 H new ATOM 0 HH11 ARG B 125 12.754 1.865 3.392 1.00 61.32 H new ATOM 0 HH12 ARG B 125 12.922 3.534 2.835 1.00 61.32 H new ATOM 0 HH21 ARG B 125 11.097 4.909 5.533 1.00 40.44 H new ATOM 0 HH22 ARG B 125 11.985 5.255 4.045 1.00 40.44 H new ATOM 845 N LEU B 126 8.317 -1.918 8.035 1.00 60.24 N ATOM 846 CA LEU B 126 6.901 -2.183 7.938 1.00 43.21 C ATOM 847 C LEU B 126 6.231 -1.080 7.156 1.00 43.42 C ATOM 848 O LEU B 126 6.406 0.098 7.447 1.00 52.34 O ATOM 849 CB LEU B 126 6.238 -2.245 9.322 1.00 32.34 C ATOM 850 CG LEU B 126 5.138 -3.314 9.518 1.00 75.34 C ATOM 851 CD1 LEU B 126 4.142 -3.377 8.386 1.00 23.43 C ATOM 852 CD2 LEU B 126 5.728 -4.664 9.839 1.00 23.41 C ATOM 0 H LEU B 126 8.600 -1.315 8.807 1.00 60.24 H new ATOM 0 HA LEU B 126 6.785 -3.147 7.442 1.00 43.21 H new ATOM 0 HB2 LEU B 126 7.017 -2.418 10.065 1.00 32.34 H new ATOM 0 HB3 LEU B 126 5.805 -1.268 9.536 1.00 32.34 H new ATOM 0 HG LEU B 126 4.560 -2.993 10.385 1.00 75.34 H new ATOM 0 HD11 LEU B 126 3.402 -4.150 8.595 1.00 23.43 H new ATOM 0 HD12 LEU B 126 3.642 -2.413 8.287 1.00 23.43 H new ATOM 0 HD13 LEU B 126 4.661 -3.614 7.457 1.00 23.43 H new ATOM 0 HD21 LEU B 126 4.926 -5.390 9.970 1.00 23.41 H new ATOM 0 HD22 LEU B 126 6.375 -4.982 9.021 1.00 23.41 H new ATOM 0 HD23 LEU B 126 6.311 -4.597 10.758 1.00 23.41 H new ATOM 864 N TYR B 127 5.492 -1.466 6.181 1.00 72.55 N ATOM 865 CA TYR B 127 4.708 -0.578 5.405 1.00 33.33 C ATOM 866 C TYR B 127 3.226 -0.824 5.659 1.00 11.43 C ATOM 867 O TYR B 127 2.676 -1.837 5.275 1.00 64.12 O ATOM 868 CB TYR B 127 5.061 -0.712 3.918 1.00 23.24 C ATOM 869 CG TYR B 127 6.407 -0.128 3.549 1.00 32.23 C ATOM 870 CD1 TYR B 127 6.532 1.224 3.264 1.00 41.52 C ATOM 871 CD2 TYR B 127 7.548 -0.923 3.475 1.00 40.41 C ATOM 872 CE1 TYR B 127 7.747 1.773 2.917 1.00 15.25 C ATOM 873 CE2 TYR B 127 8.772 -0.377 3.128 1.00 32.52 C ATOM 874 CZ TYR B 127 8.862 0.974 2.848 1.00 1.44 C ATOM 875 OH TYR B 127 10.073 1.526 2.494 1.00 53.23 O ATOM 0 H TYR B 127 5.414 -2.441 5.892 1.00 72.55 H new ATOM 0 HA TYR B 127 4.929 0.447 5.703 1.00 33.33 H new ATOM 0 HB2 TYR B 127 5.048 -1.767 3.646 1.00 23.24 H new ATOM 0 HB3 TYR B 127 4.289 -0.220 3.326 1.00 23.24 H new ATOM 0 HD1 TYR B 127 5.660 1.859 3.315 1.00 41.52 H new ATOM 0 HD2 TYR B 127 7.477 -1.979 3.691 1.00 40.41 H new ATOM 0 HE1 TYR B 127 7.822 2.828 2.700 1.00 15.25 H new ATOM 0 HE2 TYR B 127 9.651 -1.002 3.076 1.00 32.52 H new ATOM 0 HH TYR B 127 10.019 2.502 2.560 1.00 53.23 H new ATOM 885 N ARG B 128 2.618 0.077 6.372 1.00 4.03 N ATOM 886 CA ARG B 128 1.195 0.047 6.617 1.00 10.54 C ATOM 887 C ARG B 128 0.509 0.741 5.506 1.00 64.43 C ATOM 888 O ARG B 128 1.079 1.631 4.872 1.00 1.44 O ATOM 889 CB ARG B 128 0.849 0.758 7.919 1.00 24.04 C ATOM 890 CG ARG B 128 1.120 -0.029 9.157 1.00 75.23 C ATOM 891 CD ARG B 128 1.074 0.843 10.383 1.00 52.30 C ATOM 892 NE ARG B 128 1.388 0.087 11.597 1.00 51.42 N ATOM 893 CZ ARG B 128 2.496 0.249 12.344 1.00 42.54 C ATOM 894 NH1 ARG B 128 3.510 0.984 11.892 1.00 62.05 N ATOM 895 NH2 ARG B 128 2.605 -0.372 13.509 1.00 42.43 N ATOM 0 H ARG B 128 3.096 0.865 6.808 1.00 4.03 H new ATOM 0 HA ARG B 128 0.875 -0.993 6.689 1.00 10.54 H new ATOM 0 HB2 ARG B 128 1.413 1.690 7.968 1.00 24.04 H new ATOM 0 HB3 ARG B 128 -0.208 1.025 7.900 1.00 24.04 H new ATOM 0 HG2 ARG B 128 0.385 -0.829 9.250 1.00 75.23 H new ATOM 0 HG3 ARG B 128 2.099 -0.503 9.082 1.00 75.23 H new ATOM 0 HD2 ARG B 128 1.782 1.664 10.272 1.00 52.30 H new ATOM 0 HD3 ARG B 128 0.083 1.287 10.477 1.00 52.30 H new ATOM 0 HE ARG B 128 0.715 -0.617 11.900 1.00 51.42 H new ATOM 0 HH11 ARG B 128 3.450 1.428 10.976 1.00 62.05 H new ATOM 0 HH12 ARG B 128 4.347 1.103 12.462 1.00 62.05 H new ATOM 0 HH21 ARG B 128 1.850 -0.972 13.839 1.00 42.43 H new ATOM 0 HH22 ARG B 128 3.444 -0.250 14.076 1.00 42.43 H new ATOM 909 N LEU B 129 -0.695 0.382 5.275 1.00 4.25 N ATOM 910 CA LEU B 129 -1.466 0.993 4.254 1.00 41.14 C ATOM 911 C LEU B 129 -2.634 1.706 4.881 1.00 22.13 C ATOM 912 O LEU B 129 -3.282 1.166 5.781 1.00 21.34 O ATOM 913 CB LEU B 129 -1.961 -0.070 3.276 1.00 53.33 C ATOM 914 CG LEU B 129 -0.868 -0.942 2.655 1.00 23.42 C ATOM 915 CD1 LEU B 129 -1.449 -1.958 1.716 1.00 34.11 C ATOM 916 CD2 LEU B 129 0.152 -0.105 1.939 1.00 75.32 C ATOM 0 H LEU B 129 -1.182 -0.351 5.792 1.00 4.25 H new ATOM 0 HA LEU B 129 -0.854 1.711 3.708 1.00 41.14 H new ATOM 0 HB2 LEU B 129 -2.669 -0.717 3.795 1.00 53.33 H new ATOM 0 HB3 LEU B 129 -2.509 0.424 2.474 1.00 53.33 H new ATOM 0 HG LEU B 129 -0.374 -1.469 3.471 1.00 23.42 H new ATOM 0 HD11 LEU B 129 -0.647 -2.562 1.291 1.00 34.11 H new ATOM 0 HD12 LEU B 129 -2.140 -2.603 2.260 1.00 34.11 H new ATOM 0 HD13 LEU B 129 -1.983 -1.449 0.914 1.00 34.11 H new ATOM 0 HD21 LEU B 129 0.916 -0.752 1.508 1.00 75.32 H new ATOM 0 HD22 LEU B 129 -0.335 0.461 1.145 1.00 75.32 H new ATOM 0 HD23 LEU B 129 0.616 0.585 2.644 1.00 75.32 H new ATOM 928 N CYS B 130 -2.832 2.920 4.486 1.00 75.12 N ATOM 929 CA CYS B 130 -3.987 3.685 4.873 1.00 41.13 C ATOM 930 C CYS B 130 -4.504 4.311 3.630 1.00 43.50 C ATOM 931 O CYS B 130 -3.704 4.648 2.729 1.00 71.54 O ATOM 932 CB CYS B 130 -3.691 4.726 5.979 1.00 33.44 C ATOM 933 SG CYS B 130 -2.488 6.007 5.606 1.00 5.15 S ATOM 0 H CYS B 130 -2.189 3.423 3.875 1.00 75.12 H new ATOM 0 HA CYS B 130 -4.735 3.034 5.326 1.00 41.13 H new ATOM 0 HB2 CYS B 130 -4.630 5.212 6.244 1.00 33.44 H new ATOM 0 HB3 CYS B 130 -3.349 4.190 6.864 1.00 33.44 H new ATOM 938 N CYS B 131 -5.787 4.417 3.501 1.00 42.10 N ATOM 939 CA CYS B 131 -6.310 4.891 2.277 1.00 23.12 C ATOM 940 C CYS B 131 -7.458 5.839 2.520 1.00 3.21 C ATOM 941 O CYS B 131 -8.146 5.757 3.549 1.00 42.23 O ATOM 942 CB CYS B 131 -6.750 3.705 1.433 1.00 51.42 C ATOM 943 SG CYS B 131 -7.015 4.085 -0.312 1.00 62.33 S ATOM 0 H CYS B 131 -6.475 4.185 4.218 1.00 42.10 H new ATOM 0 HA CYS B 131 -5.538 5.443 1.741 1.00 23.12 H new ATOM 0 HB2 CYS B 131 -5.997 2.921 1.511 1.00 51.42 H new ATOM 0 HB3 CYS B 131 -7.674 3.302 1.848 1.00 51.42 H new ATOM 948 N ARG B 132 -7.646 6.737 1.595 1.00 22.13 N ATOM 949 CA ARG B 132 -8.677 7.714 1.647 1.00 4.45 C ATOM 950 C ARG B 132 -9.498 7.634 0.365 1.00 25.11 C ATOM 951 O ARG B 132 -10.652 7.170 0.436 1.00 35.80 O ATOM 952 CB ARG B 132 -8.097 9.127 1.913 1.00 1.12 C ATOM 953 CG ARG B 132 -7.127 9.636 0.854 1.00 12.10 C ATOM 954 CD ARG B 132 -6.475 10.940 1.265 1.00 14.12 C ATOM 955 NE ARG B 132 -7.454 11.996 1.560 1.00 24.13 N ATOM 956 CZ ARG B 132 -7.169 13.136 2.204 1.00 22.30 C ATOM 957 NH1 ARG B 132 -5.929 13.374 2.636 1.00 71.30 N ATOM 958 NH2 ARG B 132 -8.129 14.025 2.433 1.00 63.35 N ATOM 959 OXT ARG B 132 -8.968 7.939 -0.727 1.00 35.80 O ATOM 0 H ARG B 132 -7.063 6.805 0.761 1.00 22.13 H new ATOM 0 HA ARG B 132 -9.343 7.510 2.485 1.00 4.45 H new ATOM 0 HB2 ARG B 132 -8.924 9.833 1.996 1.00 1.12 H new ATOM 0 HB3 ARG B 132 -7.587 9.118 2.877 1.00 1.12 H new ATOM 0 HG2 ARG B 132 -6.357 8.885 0.676 1.00 12.10 H new ATOM 0 HG3 ARG B 132 -7.658 9.777 -0.087 1.00 12.10 H new ATOM 0 HD2 ARG B 132 -5.854 10.770 2.145 1.00 14.12 H new ATOM 0 HD3 ARG B 132 -5.812 11.277 0.468 1.00 14.12 H new ATOM 0 HE ARG B 132 -8.416 11.851 1.254 1.00 24.13 H new ATOM 0 HH11 ARG B 132 -5.193 12.686 2.477 1.00 71.30 H new ATOM 0 HH12 ARG B 132 -5.718 14.243 3.126 1.00 71.30 H new ATOM 0 HH21 ARG B 132 -9.081 13.839 2.119 1.00 63.35 H new ATOM 0 HH22 ARG B 132 -7.914 14.893 2.923 1.00 63.35 H new TER 973 ARG B 132