USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 467 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 100 SER OG : rot -46:sc= 1.14 USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.048 (180deg=-0.297) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 122:sc= -1.17 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7.9!) USER MOD Single : A 110 LYS NZ :NH3+ -142:sc= 1.61 (180deg=-0.168) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -0.997 K(o=-1,f=-6.9!) USER MOD Single : A 139 SER OG : rot 176:sc= -0.231 USER MOD Single : A 140 SER OG : rot 180:sc= -0.304 USER MOD Single : A 142 SER OG : rot 121:sc= 0.956 USER MOD Single : A 145 SER OG : rot 29:sc= 0.383 USER MOD Single : A 146 GLN : amide:sc= -1.22! K(o=-1.2!,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 66:sc= -0.694 USER MOD Single : A 151 THR OG1 : rot -143:sc= 0.665 USER MOD Single : A 153 LYS NZ :NH3+ -137:sc= -4.88! (180deg=-9.85!) USER MOD Single : A 155 HIS : no HD1:sc= -0.309 K(o=-0.31,f=-0.89) USER MOD Single : A 157 GLN : amide:sc= -0.567 K(o=-0.57,f=-0.02) USER MOD Single : A 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 79 N ARG A 97 18.230 2.673 -7.194 1.00 0.00 N ATOM 80 CA ARG A 97 17.056 1.994 -6.656 1.00 0.00 C ATOM 81 C ARG A 97 16.448 2.790 -5.506 1.00 0.00 C ATOM 82 O ARG A 97 17.164 3.290 -4.638 1.00 0.00 O ATOM 83 CB ARG A 97 17.428 0.589 -6.177 1.00 0.00 C ATOM 84 CG ARG A 97 17.944 -0.329 -7.278 1.00 0.00 C ATOM 85 CD ARG A 97 16.854 -0.683 -8.282 1.00 0.00 C ATOM 86 NE ARG A 97 16.443 0.465 -9.087 1.00 0.00 N ATOM 87 CZ ARG A 97 15.483 0.415 -10.005 1.00 0.00 C ATOM 88 NH1 ARG A 97 14.827 -0.718 -10.223 1.00 0.00 N ATOM 89 NH2 ARG A 97 15.175 1.497 -10.705 1.00 0.00 N ATOM 0 HA ARG A 97 16.316 1.915 -7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.189 0.671 -5.401 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.553 0.130 -5.717 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.771 0.156 -7.797 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.338 -1.243 -6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.213 -1.474 -8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.989 -1.079 -7.750 1.00 0.00 H new ATOM 0 HE ARG A 97 16.919 1.354 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.059 -1.553 -9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.091 -0.753 -10.928 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.675 2.371 -10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.438 1.456 -11.409 1.00 0.00 H new ATOM 103 N ILE A 98 15.122 2.902 -5.507 1.00 0.00 N ATOM 104 CA ILE A 98 14.408 3.635 -4.470 1.00 0.00 C ATOM 105 C ILE A 98 13.008 3.066 -4.260 1.00 0.00 C ATOM 106 O ILE A 98 12.031 3.811 -4.178 1.00 0.00 O ATOM 107 CB ILE A 98 14.292 5.137 -4.811 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.659 5.323 -6.194 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.656 5.810 -4.746 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.462 6.773 -6.584 1.00 0.00 C ATOM 0 H ILE A 98 14.519 2.491 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 98 14.987 3.524 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 98 13.646 5.610 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.288 4.838 -6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.694 4.817 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.552 6.867 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 98 16.065 5.708 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.329 5.338 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.010 6.825 -7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.808 7.259 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.427 7.280 -6.598 1.00 0.00 H new ATOM 122 N CYS A 99 12.926 1.740 -4.171 1.00 0.00 N ATOM 123 CA CYS A 99 11.655 1.053 -3.968 1.00 0.00 C ATOM 124 C CYS A 99 10.711 1.291 -5.145 1.00 0.00 C ATOM 125 O CYS A 99 10.529 2.425 -5.589 1.00 0.00 O ATOM 126 CB CYS A 99 11.011 1.529 -2.667 1.00 0.00 C ATOM 127 SG CYS A 99 12.004 1.193 -1.178 1.00 0.00 S ATOM 0 H CYS A 99 13.731 1.118 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 99 11.847 -0.018 -3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.830 2.602 -2.735 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.039 1.048 -2.558 1.00 0.00 H new ATOM 132 N SER A 100 10.118 0.212 -5.654 1.00 0.00 N ATOM 133 CA SER A 100 9.201 0.306 -6.786 1.00 0.00 C ATOM 134 C SER A 100 8.178 1.417 -6.567 1.00 0.00 C ATOM 135 O SER A 100 7.494 1.452 -5.543 1.00 0.00 O ATOM 136 CB SER A 100 8.482 -1.027 -7.006 1.00 0.00 C ATOM 137 OG SER A 100 7.635 -1.337 -5.916 1.00 0.00 O ATOM 0 H SER A 100 10.256 -0.735 -5.301 1.00 0.00 H new ATOM 0 HA SER A 100 9.787 0.543 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.896 -0.980 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.216 -1.822 -7.137 1.00 0.00 H new ATOM 0 HG SER A 100 8.114 -1.183 -5.075 1.00 0.00 H new ATOM 143 N LYS A 101 8.083 2.320 -7.537 1.00 0.00 N ATOM 144 CA LYS A 101 7.148 3.437 -7.461 1.00 0.00 C ATOM 145 C LYS A 101 5.729 2.991 -7.801 1.00 0.00 C ATOM 146 O LYS A 101 4.769 3.733 -7.598 1.00 0.00 O ATOM 147 CB LYS A 101 7.587 4.562 -8.400 1.00 0.00 C ATOM 148 CG LYS A 101 8.954 5.135 -8.058 1.00 0.00 C ATOM 149 CD LYS A 101 9.334 6.281 -8.984 1.00 0.00 C ATOM 150 CE LYS A 101 8.389 7.463 -8.832 1.00 0.00 C ATOM 151 NZ LYS A 101 8.378 7.990 -7.439 1.00 0.00 N ATOM 0 H LYS A 101 8.644 2.300 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 101 7.150 3.809 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.605 4.186 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.847 5.362 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.953 5.486 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.705 4.348 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.354 6.600 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.320 5.934 -10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.687 8.256 -9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.380 7.160 -9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.933 8.930 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.839 7.344 -6.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.354 8.064 -7.088 1.00 0.00 H new ATOM 165 N SER A 102 5.605 1.776 -8.325 1.00 0.00 N ATOM 166 CA SER A 102 4.304 1.229 -8.696 1.00 0.00 C ATOM 167 C SER A 102 3.335 1.273 -7.518 1.00 0.00 C ATOM 168 O SER A 102 2.139 1.508 -7.695 1.00 0.00 O ATOM 169 CB SER A 102 4.454 -0.210 -9.193 1.00 0.00 C ATOM 170 OG SER A 102 3.200 -0.756 -9.564 1.00 0.00 O ATOM 0 H SER A 102 6.391 1.150 -8.503 1.00 0.00 H new ATOM 0 HA SER A 102 3.898 1.844 -9.499 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.131 -0.234 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 102 4.904 -0.823 -8.412 1.00 0.00 H new ATOM 0 HG SER A 102 3.324 -1.676 -9.879 1.00 0.00 H new ATOM 176 N TYR A 103 3.858 1.038 -6.318 1.00 0.00 N ATOM 177 CA TYR A 103 3.041 1.045 -5.107 1.00 0.00 C ATOM 178 C TYR A 103 2.722 2.470 -4.655 1.00 0.00 C ATOM 179 O TYR A 103 2.853 2.801 -3.476 1.00 0.00 O ATOM 180 CB TYR A 103 3.746 0.282 -3.981 1.00 0.00 C ATOM 181 CG TYR A 103 3.848 -1.209 -4.220 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.356 -1.715 -5.412 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.435 -2.113 -3.249 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.447 -3.077 -5.628 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.523 -3.476 -3.459 1.00 0.00 C ATOM 186 CZ TYR A 103 4.030 -3.952 -4.649 1.00 0.00 C ATOM 187 OH TYR A 103 4.121 -5.308 -4.860 1.00 0.00 O ATOM 0 H TYR A 103 4.846 0.840 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 103 2.100 0.547 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.749 0.689 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.210 0.455 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.685 -1.032 -6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.039 -1.744 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.843 -3.454 -6.560 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.196 -4.165 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 103 4.675 -5.712 -4.159 1.00 0.00 H new ATOM 197 N LEU A 104 2.293 3.306 -5.595 1.00 0.00 N ATOM 198 CA LEU A 104 1.945 4.690 -5.290 1.00 0.00 C ATOM 199 C LEU A 104 0.616 5.061 -5.941 1.00 0.00 C ATOM 200 O LEU A 104 0.308 6.238 -6.124 1.00 0.00 O ATOM 201 CB LEU A 104 3.046 5.635 -5.776 1.00 0.00 C ATOM 202 CG LEU A 104 4.422 5.418 -5.140 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.455 6.324 -5.791 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.363 5.666 -3.640 1.00 0.00 C ATOM 0 H LEU A 104 2.178 3.049 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 104 1.846 4.789 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.143 5.529 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.733 6.661 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 104 4.719 4.382 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.428 6.158 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.517 6.099 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.162 7.365 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.350 5.507 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.045 6.692 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.651 4.977 -3.185 1.00 0.00 H new ATOM 216 N THR A 105 -0.166 4.041 -6.279 1.00 0.00 N ATOM 217 CA THR A 105 -1.469 4.239 -6.903 1.00 0.00 C ATOM 218 C THR A 105 -2.438 3.142 -6.476 1.00 0.00 C ATOM 219 O THR A 105 -2.094 1.961 -6.502 1.00 0.00 O ATOM 220 CB THR A 105 -1.360 4.250 -8.440 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.471 5.291 -8.862 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.725 4.455 -9.081 1.00 0.00 C ATOM 0 H THR A 105 0.082 3.063 -6.130 1.00 0.00 H new ATOM 0 HA THR A 105 -1.844 5.207 -6.572 1.00 0.00 H new ATOM 0 HB THR A 105 -0.968 3.284 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 105 -0.406 5.290 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.621 4.459 -10.166 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.392 3.646 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.142 5.407 -8.753 1.00 0.00 H new ATOM 230 N LEU A 106 -3.647 3.531 -6.080 1.00 0.00 N ATOM 231 CA LEU A 106 -4.647 2.560 -5.647 1.00 0.00 C ATOM 232 C LEU A 106 -6.054 2.995 -6.042 1.00 0.00 C ATOM 233 O LEU A 106 -6.437 4.150 -5.852 1.00 0.00 O ATOM 234 CB LEU A 106 -4.567 2.357 -4.134 1.00 0.00 C ATOM 235 CG LEU A 106 -5.514 1.297 -3.564 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.377 -0.014 -4.323 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.240 1.087 -2.084 1.00 0.00 C ATOM 0 H LEU A 106 -3.956 4.503 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.433 1.616 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.544 2.084 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.777 3.308 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.538 1.652 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.059 -0.752 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.621 0.146 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.353 -0.377 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.920 0.331 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.211 0.755 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.392 2.025 -1.549 1.00 0.00 H new ATOM 249 N GLU A 107 -6.815 2.057 -6.595 1.00 0.00 N ATOM 250 CA GLU A 107 -8.183 2.326 -7.022 1.00 0.00 C ATOM 251 C GLU A 107 -9.133 2.341 -5.827 1.00 0.00 C ATOM 252 O GLU A 107 -8.992 1.542 -4.901 1.00 0.00 O ATOM 253 CB GLU A 107 -8.633 1.270 -8.033 1.00 0.00 C ATOM 254 CG GLU A 107 -9.909 1.634 -8.772 1.00 0.00 C ATOM 255 CD GLU A 107 -10.344 0.557 -9.748 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.564 0.246 -10.673 1.00 0.00 O ATOM 257 OE2 GLU A 107 -11.462 0.026 -9.586 1.00 0.00 O ATOM 0 H GLU A 107 -6.506 1.099 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.208 3.309 -7.493 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.836 1.113 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.782 0.323 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.706 1.808 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.758 2.569 -9.312 1.00 0.00 H new ATOM 264 N ASN A 108 -10.101 3.254 -5.858 1.00 0.00 N ATOM 265 CA ASN A 108 -11.086 3.381 -4.785 1.00 0.00 C ATOM 266 C ASN A 108 -10.434 3.768 -3.459 1.00 0.00 C ATOM 267 O ASN A 108 -10.932 3.415 -2.389 1.00 0.00 O ATOM 268 CB ASN A 108 -11.862 2.070 -4.614 1.00 0.00 C ATOM 269 CG ASN A 108 -12.719 1.737 -5.820 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.218 1.586 -6.931 1.00 0.00 O ATOM 271 ND2 ASN A 108 -14.022 1.617 -5.601 1.00 0.00 N ATOM 0 H ASN A 108 -10.225 3.921 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 108 -11.774 4.178 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.159 1.256 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.497 2.140 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.650 1.391 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.396 1.751 -4.661 1.00 0.00 H new ATOM 278 N GLY A 109 -9.330 4.504 -3.529 1.00 0.00 N ATOM 279 CA GLY A 109 -8.654 4.927 -2.316 1.00 0.00 C ATOM 280 C GLY A 109 -7.367 5.676 -2.589 1.00 0.00 C ATOM 281 O GLY A 109 -7.152 6.179 -3.692 1.00 0.00 O ATOM 0 H GLY A 109 -8.893 4.814 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.323 5.563 -1.736 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.436 4.052 -1.703 1.00 0.00 H new ATOM 285 N LYS A 110 -6.510 5.746 -1.578 1.00 0.00 N ATOM 286 CA LYS A 110 -5.231 6.434 -1.702 1.00 0.00 C ATOM 287 C LYS A 110 -4.144 5.677 -0.945 1.00 0.00 C ATOM 288 O LYS A 110 -4.432 4.947 0.004 1.00 0.00 O ATOM 289 CB LYS A 110 -5.342 7.872 -1.190 1.00 0.00 C ATOM 290 CG LYS A 110 -5.692 7.978 0.285 1.00 0.00 C ATOM 291 CD LYS A 110 -5.965 9.419 0.694 1.00 0.00 C ATOM 292 CE LYS A 110 -4.783 10.329 0.393 1.00 0.00 C ATOM 293 NZ LYS A 110 -3.553 9.908 1.117 1.00 0.00 N ATOM 0 H LYS A 110 -6.678 5.333 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.957 6.467 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.396 8.383 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.100 8.396 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.569 7.367 0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.873 7.578 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.847 9.784 0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.190 9.457 1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.590 10.328 -0.680 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.034 11.353 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.031 10.750 1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.816 9.333 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.951 9.346 0.481 1.00 0.00 H new ATOM 307 N VAL A 111 -2.899 5.838 -1.381 1.00 0.00 N ATOM 308 CA VAL A 111 -1.780 5.148 -0.751 1.00 0.00 C ATOM 309 C VAL A 111 -0.969 6.083 0.142 1.00 0.00 C ATOM 310 O VAL A 111 -0.691 7.225 -0.221 1.00 0.00 O ATOM 311 CB VAL A 111 -0.845 4.528 -1.807 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.308 3.790 -1.140 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.620 3.594 -2.724 1.00 0.00 C ATOM 0 H VAL A 111 -2.640 6.438 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.209 4.357 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.429 5.335 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.956 3.360 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.881 4.487 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.086 2.994 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.943 3.166 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.067 2.794 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.406 4.153 -3.232 1.00 0.00 H new ATOM 323 N PHE A 112 -0.586 5.573 1.309 1.00 0.00 N ATOM 324 CA PHE A 112 0.204 6.335 2.271 1.00 0.00 C ATOM 325 C PHE A 112 1.634 5.811 2.314 1.00 0.00 C ATOM 326 O PHE A 112 1.868 4.616 2.142 1.00 0.00 O ATOM 327 CB PHE A 112 -0.424 6.251 3.666 1.00 0.00 C ATOM 328 CG PHE A 112 -1.656 7.095 3.838 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.749 6.936 3.001 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.722 8.043 4.846 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.883 7.709 3.165 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.853 8.819 5.015 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.934 8.652 4.174 1.00 0.00 C ATOM 0 H PHE A 112 -0.813 4.626 1.613 1.00 0.00 H new ATOM 0 HA PHE A 112 0.218 7.378 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.677 5.212 3.877 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.317 6.555 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.714 6.200 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.879 8.177 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.728 7.576 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.891 9.555 5.804 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.819 9.257 4.304 1.00 0.00 H new ATOM 343 N LEU A 113 2.590 6.708 2.537 1.00 0.00 N ATOM 344 CA LEU A 113 3.995 6.321 2.590 1.00 0.00 C ATOM 345 C LEU A 113 4.760 7.174 3.595 1.00 0.00 C ATOM 346 O LEU A 113 4.549 8.384 3.691 1.00 0.00 O ATOM 347 CB LEU A 113 4.643 6.443 1.205 1.00 0.00 C ATOM 348 CG LEU A 113 4.783 7.869 0.659 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.541 7.856 -0.661 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.418 8.519 0.479 1.00 0.00 C ATOM 0 H LEU A 113 2.418 7.703 2.683 1.00 0.00 H new ATOM 0 HA LEU A 113 4.040 5.281 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.634 5.991 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.056 5.859 0.497 1.00 0.00 H new ATOM 0 HG LEU A 113 5.347 8.458 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.633 8.875 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.534 7.435 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.999 7.249 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.545 9.530 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.825 7.932 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.905 8.561 1.440 1.00 0.00 H new ATOM 362 N THR A 114 5.650 6.531 4.342 1.00 0.00 N ATOM 363 CA THR A 114 6.454 7.217 5.343 1.00 0.00 C ATOM 364 C THR A 114 7.572 6.316 5.856 1.00 0.00 C ATOM 365 O THR A 114 7.349 5.144 6.165 1.00 0.00 O ATOM 366 CB THR A 114 5.595 7.686 6.533 1.00 0.00 C ATOM 367 OG1 THR A 114 6.425 8.298 7.528 1.00 0.00 O ATOM 368 CG2 THR A 114 4.833 6.521 7.147 1.00 0.00 C ATOM 0 H THR A 114 5.833 5.530 4.272 1.00 0.00 H new ATOM 0 HA THR A 114 6.888 8.091 4.857 1.00 0.00 H new ATOM 0 HB THR A 114 4.874 8.415 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.870 8.594 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.235 6.879 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.178 6.078 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.540 5.770 7.500 1.00 0.00 H new ATOM 376 N GLY A 115 8.779 6.868 5.939 1.00 0.00 N ATOM 377 CA GLY A 115 9.916 6.099 6.410 1.00 0.00 C ATOM 378 C GLY A 115 11.180 6.404 5.632 1.00 0.00 C ATOM 379 O GLY A 115 12.264 6.499 6.205 1.00 0.00 O ATOM 0 H GLY A 115 8.989 7.834 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.082 6.311 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.691 5.036 6.330 1.00 0.00 H new ATOM 383 N GLY A 116 11.034 6.552 4.319 1.00 0.00 N ATOM 384 CA GLY A 116 12.171 6.842 3.465 1.00 0.00 C ATOM 385 C GLY A 116 12.777 8.208 3.726 1.00 0.00 C ATOM 386 O GLY A 116 12.079 9.140 4.123 1.00 0.00 O ATOM 0 H GLY A 116 10.143 6.476 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.934 6.078 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.859 6.782 2.422 1.00 0.00 H new ATOM 390 N ASP A 117 14.080 8.321 3.492 1.00 0.00 N ATOM 391 CA ASP A 117 14.795 9.577 3.689 1.00 0.00 C ATOM 392 C ASP A 117 15.747 9.821 2.526 1.00 0.00 C ATOM 393 O ASP A 117 16.953 9.981 2.719 1.00 0.00 O ATOM 394 CB ASP A 117 15.576 9.560 5.008 1.00 0.00 C ATOM 395 CG ASP A 117 14.672 9.454 6.220 1.00 0.00 C ATOM 396 OD1 ASP A 117 13.952 8.442 6.338 1.00 0.00 O ATOM 397 OD2 ASP A 117 14.685 10.385 7.053 1.00 0.00 O ATOM 0 H ASP A 117 14.666 7.553 3.164 1.00 0.00 H new ATOM 0 HA ASP A 117 14.064 10.384 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.271 8.720 5.003 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.174 10.468 5.084 1.00 0.00 H new ATOM 402 N LEU A 118 15.190 9.830 1.316 1.00 0.00 N ATOM 403 CA LEU A 118 15.973 10.035 0.101 1.00 0.00 C ATOM 404 C LEU A 118 17.055 11.091 0.309 1.00 0.00 C ATOM 405 O LEU A 118 16.774 12.200 0.763 1.00 0.00 O ATOM 406 CB LEU A 118 15.061 10.440 -1.066 1.00 0.00 C ATOM 407 CG LEU A 118 14.348 11.790 -0.920 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.566 12.114 -2.183 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.422 11.787 0.287 1.00 0.00 C ATOM 0 H LEU A 118 14.192 9.697 1.152 1.00 0.00 H new ATOM 0 HA LEU A 118 16.461 9.091 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.658 10.463 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.306 9.665 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 118 15.105 12.559 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 118 13.065 13.075 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.249 12.163 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.822 11.337 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.928 12.755 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 118 12.671 11.006 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 118 14.002 11.598 1.190 1.00 0.00 H new ATOM 421 N PRO A 119 18.320 10.761 -0.023 1.00 0.00 N ATOM 422 CA PRO A 119 18.704 9.453 -0.566 1.00 0.00 C ATOM 423 C PRO A 119 18.955 8.403 0.520 1.00 0.00 C ATOM 424 O PRO A 119 20.102 8.050 0.796 1.00 0.00 O ATOM 425 CB PRO A 119 19.999 9.773 -1.306 1.00 0.00 C ATOM 426 CG PRO A 119 20.619 10.876 -0.514 1.00 0.00 C ATOM 427 CD PRO A 119 19.485 11.655 0.111 1.00 0.00 C ATOM 0 HA PRO A 119 17.920 9.019 -1.186 1.00 0.00 H new ATOM 0 HB2 PRO A 119 20.654 8.903 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.803 10.083 -2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 119 21.282 10.476 0.253 1.00 0.00 H new ATOM 0 HG3 PRO A 119 21.223 11.519 -1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.690 11.889 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.322 12.603 -0.402 1.00 0.00 H new ATOM 435 N ALA A 120 17.881 7.906 1.134 1.00 0.00 N ATOM 436 CA ALA A 120 17.999 6.901 2.185 1.00 0.00 C ATOM 437 C ALA A 120 16.639 6.299 2.527 1.00 0.00 C ATOM 438 O ALA A 120 16.188 6.368 3.670 1.00 0.00 O ATOM 439 CB ALA A 120 18.638 7.505 3.428 1.00 0.00 C ATOM 0 H ALA A 120 16.923 8.183 0.921 1.00 0.00 H new ATOM 0 HA ALA A 120 18.639 6.100 1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 120 18.719 6.742 4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 120 19.632 7.878 3.181 1.00 0.00 H new ATOM 0 HB3 ALA A 120 18.021 8.327 3.791 1.00 0.00 H new ATOM 445 N LEU A 121 15.987 5.713 1.525 1.00 0.00 N ATOM 446 CA LEU A 121 14.674 5.099 1.716 1.00 0.00 C ATOM 447 C LEU A 121 14.786 3.765 2.453 1.00 0.00 C ATOM 448 O LEU A 121 14.062 2.817 2.147 1.00 0.00 O ATOM 449 CB LEU A 121 13.975 4.883 0.367 1.00 0.00 C ATOM 450 CG LEU A 121 13.606 6.155 -0.403 1.00 0.00 C ATOM 451 CD1 LEU A 121 14.854 6.910 -0.834 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.755 5.808 -1.616 1.00 0.00 C ATOM 0 H LEU A 121 16.346 5.650 0.572 1.00 0.00 H new ATOM 0 HA LEU A 121 14.080 5.782 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 121 14.623 4.274 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 121 13.065 4.308 0.538 1.00 0.00 H new ATOM 0 HG LEU A 121 13.030 6.800 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.565 7.809 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 121 15.433 7.189 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.460 6.274 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.500 6.721 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.314 5.143 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 121 11.841 5.312 -1.289 1.00 0.00 H new ATOM 464 N ASP A 122 15.690 3.695 3.425 1.00 0.00 N ATOM 465 CA ASP A 122 15.882 2.475 4.199 1.00 0.00 C ATOM 466 C ASP A 122 14.713 2.245 5.152 1.00 0.00 C ATOM 467 O ASP A 122 14.296 3.155 5.870 1.00 0.00 O ATOM 468 CB ASP A 122 17.192 2.546 4.986 1.00 0.00 C ATOM 469 CG ASP A 122 18.403 2.696 4.086 1.00 0.00 C ATOM 470 OD1 ASP A 122 18.473 3.700 3.346 1.00 0.00 O ATOM 471 OD2 ASP A 122 19.281 1.808 4.120 1.00 0.00 O ATOM 0 H ASP A 122 16.300 4.467 3.695 1.00 0.00 H new ATOM 0 HA ASP A 122 15.930 1.637 3.504 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.151 3.387 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 122 17.300 1.643 5.588 1.00 0.00 H new ATOM 476 N GLY A 123 14.195 1.023 5.155 1.00 0.00 N ATOM 477 CA GLY A 123 13.083 0.686 6.025 1.00 0.00 C ATOM 478 C GLY A 123 11.831 1.487 5.721 1.00 0.00 C ATOM 479 O GLY A 123 11.093 1.862 6.631 1.00 0.00 O ATOM 0 H GLY A 123 14.526 0.257 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.861 -0.377 5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.375 0.857 7.061 1.00 0.00 H new ATOM 483 N ALA A 124 11.586 1.742 4.439 1.00 0.00 N ATOM 484 CA ALA A 124 10.406 2.492 4.024 1.00 0.00 C ATOM 485 C ALA A 124 9.142 1.674 4.257 1.00 0.00 C ATOM 486 O ALA A 124 9.111 0.476 3.974 1.00 0.00 O ATOM 487 CB ALA A 124 10.520 2.893 2.560 1.00 0.00 C ATOM 0 H ALA A 124 12.187 1.441 3.672 1.00 0.00 H new ATOM 0 HA ALA A 124 10.344 3.398 4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.632 3.452 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.403 3.516 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.607 1.998 1.943 1.00 0.00 H new ATOM 493 N ARG A 125 8.103 2.316 4.779 1.00 0.00 N ATOM 494 CA ARG A 125 6.845 1.627 5.050 1.00 0.00 C ATOM 495 C ARG A 125 5.657 2.395 4.481 1.00 0.00 C ATOM 496 O ARG A 125 5.598 3.622 4.563 1.00 0.00 O ATOM 497 CB ARG A 125 6.668 1.425 6.556 1.00 0.00 C ATOM 498 CG ARG A 125 5.345 0.778 6.933 1.00 0.00 C ATOM 499 CD ARG A 125 5.261 0.514 8.428 1.00 0.00 C ATOM 500 NE ARG A 125 5.473 1.726 9.215 1.00 0.00 N ATOM 501 CZ ARG A 125 4.681 2.793 9.162 1.00 0.00 C ATOM 502 NH1 ARG A 125 3.614 2.797 8.372 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.953 3.858 9.902 1.00 0.00 N ATOM 0 H ARG A 125 8.105 3.307 5.022 1.00 0.00 H new ATOM 0 HA ARG A 125 6.883 0.654 4.559 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.484 0.807 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.746 2.391 7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.522 1.426 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.229 -0.160 6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.284 0.094 8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.005 -0.232 8.706 1.00 0.00 H new ATOM 0 HE ARG A 125 6.276 1.756 9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.398 1.979 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.010 3.618 8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 125 5.770 3.860 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.345 4.676 9.861 1.00 0.00 H new ATOM 517 N VAL A 126 4.711 1.658 3.904 1.00 0.00 N ATOM 518 CA VAL A 126 3.520 2.259 3.318 1.00 0.00 C ATOM 519 C VAL A 126 2.254 1.566 3.813 1.00 0.00 C ATOM 520 O VAL A 126 2.204 0.337 3.917 1.00 0.00 O ATOM 521 CB VAL A 126 3.557 2.200 1.778 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.725 3.011 1.242 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.635 0.759 1.296 1.00 0.00 C ATOM 0 H VAL A 126 4.748 0.641 3.831 1.00 0.00 H new ATOM 0 HA VAL A 126 3.507 3.303 3.632 1.00 0.00 H new ATOM 0 HB VAL A 126 2.634 2.635 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.736 2.958 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.620 4.050 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.659 2.607 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.660 0.741 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.539 0.293 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.762 0.210 1.648 1.00 0.00 H new ATOM 533 N GLU A 127 1.234 2.364 4.115 1.00 0.00 N ATOM 534 CA GLU A 127 -0.036 1.834 4.598 1.00 0.00 C ATOM 535 C GLU A 127 -1.156 2.110 3.600 1.00 0.00 C ATOM 536 O GLU A 127 -1.396 3.256 3.217 1.00 0.00 O ATOM 537 CB GLU A 127 -0.379 2.438 5.962 1.00 0.00 C ATOM 538 CG GLU A 127 -0.362 3.957 5.984 1.00 0.00 C ATOM 539 CD GLU A 127 -0.699 4.524 7.349 1.00 0.00 C ATOM 540 OE1 GLU A 127 -1.807 4.245 7.850 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.147 5.249 7.916 1.00 0.00 O ATOM 0 H GLU A 127 1.263 3.380 4.034 1.00 0.00 H new ATOM 0 HA GLU A 127 0.065 0.754 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.367 2.091 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.329 2.066 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.624 4.310 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.075 4.335 5.251 1.00 0.00 H new ATOM 548 N PHE A 128 -1.838 1.049 3.179 1.00 0.00 N ATOM 549 CA PHE A 128 -2.932 1.163 2.221 1.00 0.00 C ATOM 550 C PHE A 128 -4.268 1.364 2.930 1.00 0.00 C ATOM 551 O PHE A 128 -4.486 0.839 4.022 1.00 0.00 O ATOM 552 CB PHE A 128 -3.001 -0.081 1.330 1.00 0.00 C ATOM 553 CG PHE A 128 -1.801 -0.265 0.442 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.524 -0.342 0.977 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.954 -0.365 -0.932 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.575 -0.514 0.159 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.858 -0.539 -1.755 1.00 0.00 C ATOM 558 CZ PHE A 128 0.408 -0.613 -1.209 1.00 0.00 C ATOM 0 H PHE A 128 -1.650 0.095 3.489 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.735 2.037 1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.111 -0.962 1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.894 -0.021 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.387 -0.267 2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.942 -0.306 -1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.564 -0.571 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.991 -0.617 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.266 -0.748 -1.850 1.00 0.00 H new ATOM 568 N ARG A 129 -5.160 2.120 2.298 1.00 0.00 N ATOM 569 CA ARG A 129 -6.479 2.384 2.862 1.00 0.00 C ATOM 570 C ARG A 129 -7.398 3.033 1.831 1.00 0.00 C ATOM 571 O ARG A 129 -7.054 4.046 1.219 1.00 0.00 O ATOM 572 CB ARG A 129 -6.362 3.277 4.100 1.00 0.00 C ATOM 573 CG ARG A 129 -5.618 4.573 3.852 1.00 0.00 C ATOM 574 CD ARG A 129 -5.562 5.432 5.104 1.00 0.00 C ATOM 575 NE ARG A 129 -6.889 5.864 5.536 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.688 6.641 4.808 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.294 7.078 3.618 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.883 6.985 5.270 1.00 0.00 N ATOM 0 H ARG A 129 -4.993 2.561 1.394 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.916 1.429 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.363 3.508 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.854 2.723 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.605 4.353 3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.107 5.127 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.085 4.870 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.940 6.307 4.915 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.223 5.552 6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.376 6.819 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.910 7.673 3.064 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.191 6.654 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -9.494 7.580 4.711 1.00 0.00 H new ATOM 592 N CYS A 130 -8.571 2.433 1.645 1.00 0.00 N ATOM 593 CA CYS A 130 -9.552 2.936 0.692 1.00 0.00 C ATOM 594 C CYS A 130 -10.498 3.941 1.345 1.00 0.00 C ATOM 595 O CYS A 130 -10.666 3.952 2.565 1.00 0.00 O ATOM 596 CB CYS A 130 -10.338 1.776 0.077 1.00 0.00 C ATOM 597 SG CYS A 130 -9.364 0.768 -1.091 1.00 0.00 S ATOM 0 H CYS A 130 -8.865 1.594 2.145 1.00 0.00 H new ATOM 0 HA CYS A 130 -9.015 3.456 -0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.707 1.134 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -11.211 2.174 -0.441 1.00 0.00 H new ATOM 602 N ASP A 131 -11.104 4.792 0.519 1.00 0.00 N ATOM 603 CA ASP A 131 -12.029 5.818 0.998 1.00 0.00 C ATOM 604 C ASP A 131 -13.126 5.218 1.878 1.00 0.00 C ATOM 605 O ASP A 131 -13.513 4.065 1.694 1.00 0.00 O ATOM 606 CB ASP A 131 -12.659 6.556 -0.185 1.00 0.00 C ATOM 607 CG ASP A 131 -11.629 7.275 -1.037 1.00 0.00 C ATOM 608 OD1 ASP A 131 -10.427 7.202 -0.705 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.026 7.910 -2.036 1.00 0.00 O ATOM 0 H ASP A 131 -10.970 4.791 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.457 6.522 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.205 5.844 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.386 7.278 0.187 1.00 0.00 H new ATOM 614 N PRO A 132 -13.634 6.000 2.853 1.00 0.00 N ATOM 615 CA PRO A 132 -14.690 5.553 3.776 1.00 0.00 C ATOM 616 C PRO A 132 -15.906 4.981 3.051 1.00 0.00 C ATOM 617 O PRO A 132 -16.910 5.666 2.857 1.00 0.00 O ATOM 618 CB PRO A 132 -15.069 6.831 4.528 1.00 0.00 C ATOM 619 CG PRO A 132 -13.848 7.679 4.467 1.00 0.00 C ATOM 620 CD PRO A 132 -13.212 7.387 3.136 1.00 0.00 C ATOM 0 HA PRO A 132 -14.345 4.745 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.920 7.328 4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.351 6.616 5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.101 8.736 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -13.168 7.444 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -13.557 8.077 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.127 7.476 3.181 1.00 0.00 H new ATOM 628 N ASP A 133 -15.796 3.717 2.657 1.00 0.00 N ATOM 629 CA ASP A 133 -16.863 3.016 1.953 1.00 0.00 C ATOM 630 C ASP A 133 -16.400 1.604 1.621 1.00 0.00 C ATOM 631 O ASP A 133 -17.208 0.706 1.382 1.00 0.00 O ATOM 632 CB ASP A 133 -17.256 3.760 0.674 1.00 0.00 C ATOM 633 CG ASP A 133 -18.508 3.186 0.036 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.563 3.177 0.704 1.00 0.00 O ATOM 635 OD2 ASP A 133 -18.434 2.749 -1.131 1.00 0.00 O ATOM 0 H ASP A 133 -14.964 3.149 2.817 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.742 2.972 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -17.418 4.813 0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -16.433 3.712 -0.039 1.00 0.00 H new ATOM 640 N PHE A 134 -15.082 1.427 1.623 1.00 0.00 N ATOM 641 CA PHE A 134 -14.465 0.137 1.341 1.00 0.00 C ATOM 642 C PHE A 134 -13.458 -0.202 2.435 1.00 0.00 C ATOM 643 O PHE A 134 -12.642 0.639 2.815 1.00 0.00 O ATOM 644 CB PHE A 134 -13.755 0.157 -0.018 1.00 0.00 C ATOM 645 CG PHE A 134 -14.648 0.491 -1.180 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.083 1.790 -1.388 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.052 -0.497 -2.064 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.902 2.098 -2.458 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.873 -0.196 -3.134 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.298 1.104 -3.332 1.00 0.00 C ATOM 0 H PHE A 134 -14.414 2.172 1.820 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.249 -0.620 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.943 0.883 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.302 -0.819 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.779 2.571 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.721 -1.514 -1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.232 3.115 -2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.182 -0.976 -3.815 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.938 1.342 -4.168 1.00 0.00 H new ATOM 660 N HIS A 135 -13.515 -1.428 2.944 1.00 0.00 N ATOM 661 CA HIS A 135 -12.598 -1.850 3.998 1.00 0.00 C ATOM 662 C HIS A 135 -11.488 -2.734 3.438 1.00 0.00 C ATOM 663 O HIS A 135 -11.749 -3.724 2.754 1.00 0.00 O ATOM 664 CB HIS A 135 -13.356 -2.583 5.108 1.00 0.00 C ATOM 665 CG HIS A 135 -14.097 -3.798 4.643 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.088 -3.758 3.686 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.992 -5.096 5.019 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.561 -4.976 3.493 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.912 -5.806 4.289 1.00 0.00 N ATOM 0 H HIS A 135 -14.180 -2.142 2.647 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.138 -0.957 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.649 -2.877 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.064 -1.893 5.567 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.311 -5.497 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.345 -5.247 2.802 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -15.069 -6.812 4.351 1.00 0.00 H new ATOM 678 N LEU A 136 -10.246 -2.360 3.731 1.00 0.00 N ATOM 679 CA LEU A 136 -9.086 -3.106 3.257 1.00 0.00 C ATOM 680 C LEU A 136 -8.952 -4.436 3.993 1.00 0.00 C ATOM 681 O LEU A 136 -9.027 -4.488 5.221 1.00 0.00 O ATOM 682 CB LEU A 136 -7.819 -2.267 3.432 1.00 0.00 C ATOM 683 CG LEU A 136 -6.525 -2.926 2.952 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.704 -3.520 1.564 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.387 -1.920 2.961 1.00 0.00 C ATOM 0 H LEU A 136 -10.017 -1.542 4.296 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.225 -3.323 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.949 -1.327 2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.711 -2.019 4.488 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.277 -3.737 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.771 -3.983 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.493 -4.272 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.977 -2.731 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.472 -2.403 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.630 -1.089 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.241 -1.545 3.974 1.00 0.00 H new ATOM 697 N VAL A 137 -8.770 -5.511 3.231 1.00 0.00 N ATOM 698 CA VAL A 137 -8.645 -6.847 3.806 1.00 0.00 C ATOM 699 C VAL A 137 -7.509 -7.639 3.157 1.00 0.00 C ATOM 700 O VAL A 137 -7.752 -8.633 2.471 1.00 0.00 O ATOM 701 CB VAL A 137 -9.959 -7.637 3.648 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.876 -8.974 4.368 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.138 -6.823 4.155 1.00 0.00 C ATOM 0 H VAL A 137 -8.706 -5.483 2.213 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.420 -6.715 4.864 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.112 -7.834 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.815 -9.514 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.060 -9.563 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.694 -8.805 5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.056 -7.398 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.992 -6.589 5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.213 -5.897 3.585 1.00 0.00 H new ATOM 713 N GLY A 138 -6.270 -7.204 3.366 1.00 0.00 N ATOM 714 CA GLY A 138 -5.147 -7.912 2.778 1.00 0.00 C ATOM 715 C GLY A 138 -3.804 -7.386 3.235 1.00 0.00 C ATOM 716 O GLY A 138 -3.591 -7.156 4.426 1.00 0.00 O ATOM 0 H GLY A 138 -6.025 -6.386 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.220 -8.970 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.208 -7.839 1.692 1.00 0.00 H new ATOM 720 N SER A 139 -2.895 -7.208 2.282 1.00 0.00 N ATOM 721 CA SER A 139 -1.558 -6.714 2.563 1.00 0.00 C ATOM 722 C SER A 139 -1.575 -5.214 2.849 1.00 0.00 C ATOM 723 O SER A 139 -0.820 -4.449 2.248 1.00 0.00 O ATOM 724 CB SER A 139 -0.644 -7.012 1.378 1.00 0.00 C ATOM 725 OG SER A 139 -0.534 -8.407 1.155 1.00 0.00 O ATOM 0 H SER A 139 -3.067 -7.403 1.296 1.00 0.00 H new ATOM 0 HA SER A 139 -1.181 -7.221 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.034 -6.528 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.344 -6.591 1.563 1.00 0.00 H new ATOM 0 HG SER A 139 0.003 -8.568 0.352 1.00 0.00 H new ATOM 731 N SER A 140 -2.440 -4.803 3.771 1.00 0.00 N ATOM 732 CA SER A 140 -2.561 -3.399 4.143 1.00 0.00 C ATOM 733 C SER A 140 -1.195 -2.809 4.477 1.00 0.00 C ATOM 734 O SER A 140 -0.897 -1.667 4.126 1.00 0.00 O ATOM 735 CB SER A 140 -3.507 -3.257 5.337 1.00 0.00 C ATOM 736 OG SER A 140 -3.653 -1.900 5.716 1.00 0.00 O ATOM 0 H SER A 140 -3.070 -5.426 4.276 1.00 0.00 H new ATOM 0 HA SER A 140 -2.971 -2.849 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.482 -3.673 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.123 -3.833 6.179 1.00 0.00 H new ATOM 0 HG SER A 140 -4.264 -1.838 6.480 1.00 0.00 H new ATOM 742 N ARG A 141 -0.367 -3.601 5.148 1.00 0.00 N ATOM 743 CA ARG A 141 0.974 -3.169 5.524 1.00 0.00 C ATOM 744 C ARG A 141 2.009 -3.722 4.548 1.00 0.00 C ATOM 745 O ARG A 141 1.985 -4.905 4.216 1.00 0.00 O ATOM 746 CB ARG A 141 1.296 -3.636 6.946 1.00 0.00 C ATOM 747 CG ARG A 141 1.194 -5.143 7.123 1.00 0.00 C ATOM 748 CD ARG A 141 1.487 -5.562 8.554 1.00 0.00 C ATOM 749 NE ARG A 141 2.838 -5.197 8.969 1.00 0.00 N ATOM 750 CZ ARG A 141 3.345 -5.484 10.165 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.614 -6.142 11.056 1.00 0.00 N ATOM 752 NH2 ARG A 141 4.581 -5.116 10.469 1.00 0.00 N ATOM 0 H ARG A 141 -0.602 -4.549 5.444 1.00 0.00 H new ATOM 0 HA ARG A 141 1.009 -2.080 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.304 -3.314 7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.615 -3.148 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.194 -5.475 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.894 -5.637 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.764 -5.095 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.358 -6.640 8.649 1.00 0.00 H new ATOM 0 HE ARG A 141 3.426 -4.694 8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.663 -6.428 10.824 1.00 0.00 H new ATOM 0 HH12 ARG A 141 3.003 -6.362 11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.146 -4.612 9.785 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.968 -5.337 11.387 1.00 0.00 H new ATOM 766 N SER A 142 2.914 -2.862 4.093 1.00 0.00 N ATOM 767 CA SER A 142 3.955 -3.275 3.154 1.00 0.00 C ATOM 768 C SER A 142 5.252 -2.518 3.420 1.00 0.00 C ATOM 769 O SER A 142 5.296 -1.290 3.335 1.00 0.00 O ATOM 770 CB SER A 142 3.497 -3.025 1.715 1.00 0.00 C ATOM 771 OG SER A 142 4.492 -3.420 0.787 1.00 0.00 O ATOM 0 H SER A 142 2.949 -1.877 4.357 1.00 0.00 H new ATOM 0 HA SER A 142 4.137 -4.341 3.293 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.576 -3.576 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.270 -1.967 1.581 1.00 0.00 H new ATOM 0 HG SER A 142 4.125 -4.100 0.184 1.00 0.00 H new ATOM 777 N VAL A 143 6.307 -3.261 3.741 1.00 0.00 N ATOM 778 CA VAL A 143 7.608 -2.663 4.019 1.00 0.00 C ATOM 779 C VAL A 143 8.598 -2.956 2.896 1.00 0.00 C ATOM 780 O VAL A 143 8.820 -4.112 2.534 1.00 0.00 O ATOM 781 CB VAL A 143 8.180 -3.171 5.358 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.214 -4.692 5.385 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.567 -2.596 5.605 1.00 0.00 C ATOM 0 H VAL A 143 6.286 -4.278 3.815 1.00 0.00 H new ATOM 0 HA VAL A 143 7.460 -1.585 4.087 1.00 0.00 H new ATOM 0 HB VAL A 143 7.524 -2.831 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.621 -5.030 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.203 -5.081 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.843 -5.056 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.951 -2.968 6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.236 -2.900 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.509 -1.508 5.638 1.00 0.00 H new ATOM 793 N CYS A 144 9.188 -1.900 2.346 1.00 0.00 N ATOM 794 CA CYS A 144 10.153 -2.039 1.262 1.00 0.00 C ATOM 795 C CYS A 144 11.471 -2.619 1.762 1.00 0.00 C ATOM 796 O CYS A 144 11.905 -2.337 2.879 1.00 0.00 O ATOM 797 CB CYS A 144 10.405 -0.688 0.590 1.00 0.00 C ATOM 798 SG CYS A 144 11.622 -0.757 -0.765 1.00 0.00 S ATOM 0 H CYS A 144 9.014 -0.937 2.634 1.00 0.00 H new ATOM 0 HA CYS A 144 9.729 -2.729 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.462 -0.305 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.751 0.022 1.341 1.00 0.00 H new ATOM 803 N SER A 145 12.105 -3.421 0.916 1.00 0.00 N ATOM 804 CA SER A 145 13.380 -4.042 1.246 1.00 0.00 C ATOM 805 C SER A 145 14.076 -4.509 -0.027 1.00 0.00 C ATOM 806 O SER A 145 13.515 -5.283 -0.802 1.00 0.00 O ATOM 807 CB SER A 145 13.170 -5.222 2.196 1.00 0.00 C ATOM 808 OG SER A 145 12.343 -6.211 1.608 1.00 0.00 O ATOM 0 H SER A 145 11.753 -3.658 -0.011 1.00 0.00 H new ATOM 0 HA SER A 145 14.009 -3.305 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 145 14.134 -5.658 2.457 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.718 -4.870 3.123 1.00 0.00 H new ATOM 0 HG SER A 145 12.448 -6.188 0.634 1.00 0.00 H new ATOM 814 N GLN A 146 15.294 -4.021 -0.245 1.00 0.00 N ATOM 815 CA GLN A 146 16.054 -4.376 -1.436 1.00 0.00 C ATOM 816 C GLN A 146 15.254 -4.017 -2.688 1.00 0.00 C ATOM 817 O GLN A 146 15.190 -4.787 -3.646 1.00 0.00 O ATOM 818 CB GLN A 146 16.401 -5.869 -1.428 1.00 0.00 C ATOM 819 CG GLN A 146 17.370 -6.278 -2.528 1.00 0.00 C ATOM 820 CD GLN A 146 17.706 -7.759 -2.505 1.00 0.00 C ATOM 821 OE1 GLN A 146 18.495 -8.237 -3.321 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.111 -8.498 -1.573 1.00 0.00 N ATOM 0 H GLN A 146 15.774 -3.380 0.387 1.00 0.00 H new ATOM 0 HA GLN A 146 16.987 -3.812 -1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.833 -6.127 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.483 -6.447 -1.532 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.939 -6.024 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 146 18.289 -5.701 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.463 -8.064 -0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.302 -9.498 -1.516 1.00 0.00 H new ATOM 831 N GLY A 147 14.641 -2.835 -2.662 1.00 0.00 N ATOM 832 CA GLY A 147 13.844 -2.377 -3.786 1.00 0.00 C ATOM 833 C GLY A 147 12.457 -2.998 -3.815 1.00 0.00 C ATOM 834 O GLY A 147 11.459 -2.290 -3.947 1.00 0.00 O ATOM 0 H GLY A 147 14.683 -2.184 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.751 -1.292 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.363 -2.614 -4.715 1.00 0.00 H new ATOM 838 N GLN A 148 12.396 -4.321 -3.694 1.00 0.00 N ATOM 839 CA GLN A 148 11.123 -5.038 -3.709 1.00 0.00 C ATOM 840 C GLN A 148 10.398 -4.911 -2.373 1.00 0.00 C ATOM 841 O GLN A 148 11.012 -5.020 -1.312 1.00 0.00 O ATOM 842 CB GLN A 148 11.353 -6.515 -4.033 1.00 0.00 C ATOM 843 CG GLN A 148 12.013 -6.747 -5.380 1.00 0.00 C ATOM 844 CD GLN A 148 12.257 -8.216 -5.664 1.00 0.00 C ATOM 845 OE1 GLN A 148 12.963 -8.896 -4.918 1.00 0.00 O ATOM 846 NE2 GLN A 148 11.675 -8.715 -6.748 1.00 0.00 N ATOM 0 H GLN A 148 13.214 -4.920 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 148 10.498 -4.590 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.973 -6.957 -3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.396 -7.036 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.384 -6.328 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 148 12.962 -6.212 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.098 -8.116 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.805 -9.697 -6.990 1.00 0.00 H new ATOM 855 N TRP A 149 9.085 -4.696 -2.427 1.00 0.00 N ATOM 856 CA TRP A 149 8.284 -4.574 -1.214 1.00 0.00 C ATOM 857 C TRP A 149 7.879 -5.952 -0.700 1.00 0.00 C ATOM 858 O TRP A 149 7.624 -6.867 -1.485 1.00 0.00 O ATOM 859 CB TRP A 149 7.040 -3.719 -1.462 1.00 0.00 C ATOM 860 CG TRP A 149 7.356 -2.309 -1.855 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.771 -1.869 -3.080 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.305 -1.154 -1.011 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.962 -0.509 -3.052 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.688 -0.048 -1.792 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.968 -0.950 0.329 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.743 1.244 -1.274 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.025 0.332 0.842 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.409 1.415 0.040 1.00 0.00 C ATOM 0 H TRP A 149 8.556 -4.603 -3.294 1.00 0.00 H new ATOM 0 HA TRP A 149 8.894 -4.081 -0.457 1.00 0.00 H new ATOM 0 HB2 TRP A 149 6.441 -4.181 -2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.430 -3.709 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.926 -2.498 -3.944 1.00 0.00 H new ATOM 0 HE1 TRP A 149 8.260 0.064 -3.841 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.668 -1.779 0.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 8.039 2.081 -1.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.770 0.502 1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.442 2.405 0.469 1.00 0.00 H new ATOM 879 N SER A 150 7.839 -6.097 0.620 1.00 0.00 N ATOM 880 CA SER A 150 7.483 -7.368 1.243 1.00 0.00 C ATOM 881 C SER A 150 6.146 -7.894 0.730 1.00 0.00 C ATOM 882 O SER A 150 6.083 -8.975 0.144 1.00 0.00 O ATOM 883 CB SER A 150 7.431 -7.215 2.763 1.00 0.00 C ATOM 884 OG SER A 150 8.694 -6.836 3.281 1.00 0.00 O ATOM 0 H SER A 150 8.049 -5.349 1.281 1.00 0.00 H new ATOM 0 HA SER A 150 8.253 -8.092 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.685 -6.467 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 150 7.116 -8.155 3.216 1.00 0.00 H new ATOM 0 HG SER A 150 8.924 -5.939 2.960 1.00 0.00 H new ATOM 890 N THR A 151 5.074 -7.136 0.952 1.00 0.00 N ATOM 891 CA THR A 151 3.750 -7.556 0.506 1.00 0.00 C ATOM 892 C THR A 151 3.227 -6.661 -0.614 1.00 0.00 C ATOM 893 O THR A 151 3.315 -5.437 -0.532 1.00 0.00 O ATOM 894 CB THR A 151 2.739 -7.546 1.664 1.00 0.00 C ATOM 895 OG1 THR A 151 2.585 -6.215 2.166 1.00 0.00 O ATOM 896 CG2 THR A 151 3.192 -8.467 2.786 1.00 0.00 C ATOM 0 H THR A 151 5.096 -6.237 1.433 1.00 0.00 H new ATOM 0 HA THR A 151 3.857 -8.574 0.130 1.00 0.00 H new ATOM 0 HB THR A 151 1.782 -7.905 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.470 -6.244 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.461 -8.443 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.281 -9.485 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.159 -8.134 3.162 1.00 0.00 H new ATOM 904 N PRO A 152 2.667 -7.263 -1.680 1.00 0.00 N ATOM 905 CA PRO A 152 2.124 -6.508 -2.812 1.00 0.00 C ATOM 906 C PRO A 152 0.876 -5.720 -2.432 1.00 0.00 C ATOM 907 O PRO A 152 0.601 -5.507 -1.250 1.00 0.00 O ATOM 908 CB PRO A 152 1.781 -7.593 -3.836 1.00 0.00 C ATOM 909 CG PRO A 152 1.576 -8.829 -3.030 1.00 0.00 C ATOM 910 CD PRO A 152 2.513 -8.719 -1.859 1.00 0.00 C ATOM 0 HA PRO A 152 2.830 -5.765 -3.183 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.884 -7.335 -4.399 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.586 -7.722 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.542 -8.910 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.791 -9.720 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 152 2.100 -9.192 -0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.469 -9.202 -2.062 1.00 0.00 H new ATOM 918 N LYS A 153 0.123 -5.291 -3.438 1.00 0.00 N ATOM 919 CA LYS A 153 -1.098 -4.528 -3.204 1.00 0.00 C ATOM 920 C LYS A 153 -2.280 -5.452 -2.909 1.00 0.00 C ATOM 921 O LYS A 153 -2.585 -6.352 -3.692 1.00 0.00 O ATOM 922 CB LYS A 153 -1.412 -3.644 -4.411 1.00 0.00 C ATOM 923 CG LYS A 153 -0.428 -2.501 -4.601 1.00 0.00 C ATOM 924 CD LYS A 153 -0.813 -1.598 -5.767 1.00 0.00 C ATOM 925 CE LYS A 153 -2.162 -0.923 -5.555 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.297 -1.880 -5.674 1.00 0.00 N ATOM 0 H LYS A 153 0.335 -5.458 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.935 -3.895 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -1.418 -4.260 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -2.416 -3.234 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -0.379 -1.910 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.569 -2.907 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.045 -0.836 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -0.844 -2.186 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -2.183 -0.459 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.285 -0.124 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.063 -1.443 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.974 -2.744 -6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.648 -2.122 -4.725 1.00 0.00 H new ATOM 940 N PRO A 154 -2.964 -5.234 -1.772 1.00 0.00 N ATOM 941 CA PRO A 154 -4.121 -6.046 -1.374 1.00 0.00 C ATOM 942 C PRO A 154 -5.364 -5.733 -2.204 1.00 0.00 C ATOM 943 O PRO A 154 -5.266 -5.436 -3.395 1.00 0.00 O ATOM 944 CB PRO A 154 -4.337 -5.651 0.085 1.00 0.00 C ATOM 945 CG PRO A 154 -3.809 -4.261 0.184 1.00 0.00 C ATOM 946 CD PRO A 154 -2.663 -4.178 -0.786 1.00 0.00 C ATOM 0 HA PRO A 154 -3.945 -7.112 -1.522 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.392 -5.694 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.808 -6.324 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.581 -3.533 -0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.477 -4.042 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.606 -3.196 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.707 -4.351 -0.292 1.00 0.00 H new ATOM 954 N HIS A 155 -6.534 -5.795 -1.568 1.00 0.00 N ATOM 955 CA HIS A 155 -7.791 -5.512 -2.252 1.00 0.00 C ATOM 956 C HIS A 155 -8.845 -5.018 -1.266 1.00 0.00 C ATOM 957 O HIS A 155 -8.948 -5.525 -0.148 1.00 0.00 O ATOM 958 CB HIS A 155 -8.293 -6.757 -2.986 1.00 0.00 C ATOM 959 CG HIS A 155 -8.560 -7.925 -2.087 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.591 -8.504 -1.295 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.696 -8.625 -1.860 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.119 -9.510 -0.621 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.395 -9.604 -0.946 1.00 0.00 N ATOM 0 H HIS A 155 -6.635 -6.038 -0.583 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.610 -4.725 -2.984 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.209 -6.507 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.556 -7.048 -3.734 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.660 -8.447 -2.314 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.596 -10.147 0.077 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.051 -10.293 -0.578 1.00 0.00 H new ATOM 972 N CYS A 156 -9.626 -4.026 -1.686 1.00 0.00 N ATOM 973 CA CYS A 156 -10.670 -3.465 -0.835 1.00 0.00 C ATOM 974 C CYS A 156 -12.034 -4.052 -1.176 1.00 0.00 C ATOM 975 O CYS A 156 -12.410 -4.147 -2.345 1.00 0.00 O ATOM 976 CB CYS A 156 -10.719 -1.941 -0.975 1.00 0.00 C ATOM 977 SG CYS A 156 -9.298 -1.073 -0.237 1.00 0.00 S ATOM 0 H CYS A 156 -9.556 -3.595 -2.608 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.427 -3.724 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.775 -1.687 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.634 -1.575 -0.510 1.00 0.00 H new ATOM 982 N GLN A 157 -12.770 -4.437 -0.141 1.00 0.00 N ATOM 983 CA GLN A 157 -14.099 -5.009 -0.309 1.00 0.00 C ATOM 984 C GLN A 157 -15.164 -3.973 0.028 1.00 0.00 C ATOM 985 O GLN A 157 -14.989 -3.172 0.946 1.00 0.00 O ATOM 986 CB GLN A 157 -14.261 -6.243 0.582 1.00 0.00 C ATOM 987 CG GLN A 157 -15.624 -6.906 0.472 1.00 0.00 C ATOM 988 CD GLN A 157 -15.933 -7.375 -0.936 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.207 -8.189 -1.505 1.00 0.00 O ATOM 990 NE2 GLN A 157 -17.018 -6.862 -1.506 1.00 0.00 N ATOM 0 H GLN A 157 -12.466 -4.362 0.830 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.221 -5.311 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.492 -6.970 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.090 -5.955 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.666 -7.757 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.393 -6.203 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.592 -6.189 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.277 -7.141 -2.452 1.00 0.00 H new ATOM 999 N VAL A 158 -16.261 -3.985 -0.721 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.346 -3.039 -0.499 1.00 0.00 C ATOM 1001 C VAL A 158 -17.801 -3.081 0.953 1.00 0.00 C ATOM 1002 O VAL A 158 -18.511 -3.998 1.368 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.548 -3.333 -1.417 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -19.679 -2.351 -1.155 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -18.127 -3.293 -2.878 1.00 0.00 C ATOM 0 H VAL A 158 -16.422 -4.639 -1.487 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.964 -2.046 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.912 -4.336 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -20.517 -2.577 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -20.001 -2.435 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.331 -1.336 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -18.989 -3.503 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -17.734 -2.305 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -17.356 -4.043 -3.055 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.382 -2.083 1.724 1.00 0.00 N ATOM 1016 CA ASN A 159 -17.740 -2.008 3.132 1.00 0.00 C ATOM 1017 C ASN A 159 -19.219 -1.681 3.306 1.00 0.00 C ATOM 1018 O ASN A 159 -19.905 -2.421 4.042 1.00 0.00 O ATOM 1019 CB ASN A 159 -16.878 -0.960 3.842 1.00 0.00 C ATOM 1020 CG ASN A 159 -17.259 -0.780 5.297 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.236 -1.729 6.081 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -17.609 0.448 5.667 1.00 0.00 N ATOM 1023 OXT ASN A 159 -19.680 -0.687 2.706 1.00 0.00 O ATOM 0 H ASN A 159 -16.795 -1.316 1.396 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.554 -2.984 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -15.830 -1.253 3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -16.974 -0.005 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.873 0.633 6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.614 1.205 4.983 1.00 0.00 H new