USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 666 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.097) USER MOD Single : A 32 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.3!) USER MOD Single : A 33 CYS SG : rot 82:sc= -1.65 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.64 K(o=-2.6,f=-4.9!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -172:sc= 0.0203 USER MOD Single : A 58 THR OG1 : rot 43:sc= 0.676 USER MOD Single : A 59 CYS SG : rot -52:sc= -0.332 USER MOD Single : A 67 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-0.096) USER MOD Single : A 69 GLN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 76 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-0.61) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -94:sc= 0.265 USER MOD Single : A 85 ASN : amide:sc= -4.98! C(o=-5!,f=-22!) USER MOD Single : A 89 GLN : amide:sc= -0.507 K(o=-0.51,f=-0.0049) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -109:sc= 0.571 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 65:sc= 0.633 USER MOD Single : A 99 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 18.975 -1.515 1.686 1.00 0.00 N ATOM 84 CA GLU A 9 17.591 -1.565 1.229 1.00 0.00 C ATOM 85 C GLU A 9 16.692 -2.198 2.287 1.00 0.00 C ATOM 86 O GLU A 9 17.156 -2.594 3.356 1.00 0.00 O ATOM 87 CB GLU A 9 17.491 -2.351 -0.080 1.00 0.00 C ATOM 88 CG GLU A 9 18.100 -1.631 -1.271 1.00 0.00 C ATOM 89 CD GLU A 9 19.575 -1.938 -1.446 1.00 0.00 C ATOM 90 OE1 GLU A 9 20.012 -3.018 -0.998 1.00 0.00 O ATOM 91 OE2 GLU A 9 20.290 -1.099 -2.031 1.00 0.00 O ATOM 0 HA GLU A 9 17.254 -0.543 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.988 -3.313 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.442 -2.559 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.564 -1.916 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.969 -0.556 -1.147 1.00 0.00 H new ATOM 98 N VAL A 10 15.402 -2.290 1.979 1.00 0.00 N ATOM 99 CA VAL A 10 14.436 -2.875 2.902 1.00 0.00 C ATOM 100 C VAL A 10 13.397 -3.704 2.156 1.00 0.00 C ATOM 101 O VAL A 10 13.104 -3.447 0.989 1.00 0.00 O ATOM 102 CB VAL A 10 13.717 -1.790 3.725 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.412 -2.327 4.292 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.621 -1.279 4.837 1.00 0.00 C ATOM 0 H VAL A 10 15.002 -1.967 1.098 1.00 0.00 H new ATOM 0 HA VAL A 10 14.995 -3.521 3.578 1.00 0.00 H new ATOM 0 HB VAL A 10 13.482 -0.954 3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.918 -1.546 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.762 -2.640 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.620 -3.180 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.097 -0.513 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.889 -2.104 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.526 -0.853 4.403 1.00 0.00 H new ATOM 114 N ALA A 11 12.841 -4.700 2.839 1.00 0.00 N ATOM 115 CA ALA A 11 11.832 -5.565 2.242 1.00 0.00 C ATOM 116 C ALA A 11 10.429 -5.010 2.468 1.00 0.00 C ATOM 117 O ALA A 11 10.195 -4.194 3.360 1.00 0.00 O ATOM 118 CB ALA A 11 11.941 -6.973 2.809 1.00 0.00 C ATOM 0 H ALA A 11 13.073 -4.927 3.806 1.00 0.00 H new ATOM 0 HA ALA A 11 12.012 -5.602 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.181 -7.608 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.930 -7.377 2.592 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.790 -6.943 3.888 1.00 0.00 H new ATOM 124 N PRO A 12 9.474 -5.460 1.641 1.00 0.00 N ATOM 125 CA PRO A 12 8.078 -5.021 1.731 1.00 0.00 C ATOM 126 C PRO A 12 7.383 -5.550 2.982 1.00 0.00 C ATOM 127 O PRO A 12 7.488 -6.732 3.308 1.00 0.00 O ATOM 128 CB PRO A 12 7.438 -5.613 0.473 1.00 0.00 C ATOM 129 CG PRO A 12 8.283 -6.793 0.138 1.00 0.00 C ATOM 130 CD PRO A 12 9.682 -6.433 0.556 1.00 0.00 C ATOM 0 HA PRO A 12 7.996 -3.936 1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.404 -5.905 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.426 -4.890 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.936 -7.683 0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.239 -7.014 -0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.236 -7.306 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.249 -6.001 -0.268 1.00 0.00 H new ATOM 138 N SER A 13 6.674 -4.667 3.677 1.00 0.00 N ATOM 139 CA SER A 13 5.964 -5.045 4.894 1.00 0.00 C ATOM 140 C SER A 13 4.838 -4.061 5.194 1.00 0.00 C ATOM 141 O SER A 13 4.991 -2.852 5.017 1.00 0.00 O ATOM 142 CB SER A 13 6.933 -5.105 6.077 1.00 0.00 C ATOM 143 OG SER A 13 7.555 -3.850 6.291 1.00 0.00 O ATOM 0 H SER A 13 6.576 -3.685 3.419 1.00 0.00 H new ATOM 0 HA SER A 13 5.529 -6.032 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.396 -5.406 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.693 -5.864 5.891 1.00 0.00 H new ATOM 0 HG SER A 13 8.168 -3.914 7.053 1.00 0.00 H new ATOM 149 N PHE A 14 3.706 -4.588 5.648 1.00 0.00 N ATOM 150 CA PHE A 14 2.552 -3.757 5.972 1.00 0.00 C ATOM 151 C PHE A 14 2.538 -3.399 7.455 1.00 0.00 C ATOM 152 O PHE A 14 2.330 -4.260 8.311 1.00 0.00 O ATOM 153 CB PHE A 14 1.256 -4.479 5.599 1.00 0.00 C ATOM 154 CG PHE A 14 1.025 -4.569 4.117 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.659 -3.447 3.391 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.175 -5.775 3.451 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.445 -3.527 2.027 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.963 -5.861 2.088 1.00 0.00 C ATOM 159 CZ PHE A 14 0.598 -4.735 1.375 1.00 0.00 C ATOM 0 H PHE A 14 3.563 -5.586 5.800 1.00 0.00 H new ATOM 0 HA PHE A 14 2.626 -2.836 5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.277 -5.485 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.415 -3.960 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.540 -2.500 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.461 -6.658 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.159 -2.646 1.472 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.082 -6.807 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.433 -4.799 0.310 1.00 0.00 H new ATOM 169 N SER A 15 2.763 -2.123 7.752 1.00 0.00 N ATOM 170 CA SER A 15 2.781 -1.651 9.132 1.00 0.00 C ATOM 171 C SER A 15 1.375 -1.648 9.724 1.00 0.00 C ATOM 172 O SER A 15 1.176 -2.019 10.880 1.00 0.00 O ATOM 173 CB SER A 15 3.381 -0.246 9.204 1.00 0.00 C ATOM 174 OG SER A 15 4.751 -0.256 8.844 1.00 0.00 O ATOM 0 H SER A 15 2.935 -1.398 7.056 1.00 0.00 H new ATOM 0 HA SER A 15 3.400 -2.333 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.832 0.421 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.270 0.148 10.214 1.00 0.00 H new ATOM 0 HG SER A 15 5.110 0.654 8.897 1.00 0.00 H new ATOM 180 N SER A 16 0.403 -1.226 8.921 1.00 0.00 N ATOM 181 CA SER A 16 -0.985 -1.170 9.366 1.00 0.00 C ATOM 182 C SER A 16 -1.910 -1.817 8.340 1.00 0.00 C ATOM 183 O SER A 16 -2.610 -1.130 7.597 1.00 0.00 O ATOM 184 CB SER A 16 -1.407 0.281 9.606 1.00 0.00 C ATOM 185 OG SER A 16 -1.043 0.709 10.907 1.00 0.00 O ATOM 0 H SER A 16 0.551 -0.918 7.960 1.00 0.00 H new ATOM 0 HA SER A 16 -1.064 -1.724 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.939 0.927 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.485 0.376 9.477 1.00 0.00 H new ATOM 0 HG SER A 16 -1.322 1.640 11.035 1.00 0.00 H new ATOM 191 N VAL A 17 -1.907 -3.146 8.305 1.00 0.00 N ATOM 192 CA VAL A 17 -2.746 -3.888 7.372 1.00 0.00 C ATOM 193 C VAL A 17 -4.178 -3.365 7.384 1.00 0.00 C ATOM 194 O VAL A 17 -4.621 -2.760 8.362 1.00 0.00 O ATOM 195 CB VAL A 17 -2.758 -5.393 7.703 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.350 -5.964 7.646 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.385 -5.632 9.068 1.00 0.00 C ATOM 0 H VAL A 17 -1.333 -3.731 8.912 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.319 -3.745 6.380 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.362 -5.907 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.379 -7.028 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.942 -5.826 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.719 -5.448 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.386 -6.700 9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.809 -5.106 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.410 -5.261 9.068 1.00 0.00 H new ATOM 207 N LEU A 18 -4.897 -3.601 6.293 1.00 0.00 N ATOM 208 CA LEU A 18 -6.281 -3.154 6.177 1.00 0.00 C ATOM 209 C LEU A 18 -7.156 -3.808 7.242 1.00 0.00 C ATOM 210 O LEU A 18 -6.774 -4.812 7.843 1.00 0.00 O ATOM 211 CB LEU A 18 -6.827 -3.475 4.785 1.00 0.00 C ATOM 212 CG LEU A 18 -6.102 -2.814 3.611 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.201 -3.682 2.366 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.671 -1.429 3.344 1.00 0.00 C ATOM 0 H LEU A 18 -4.545 -4.099 5.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.302 -2.075 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.795 -4.555 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.876 -3.180 4.751 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.049 -2.708 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.680 -3.196 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.745 -4.652 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.249 -3.820 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.143 -0.974 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.731 -1.511 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.547 -0.808 4.231 1.00 0.00 H new ATOM 226 N LYS A 19 -8.332 -3.233 7.469 1.00 0.00 N ATOM 227 CA LYS A 19 -9.264 -3.761 8.459 1.00 0.00 C ATOM 228 C LYS A 19 -10.679 -3.825 7.893 1.00 0.00 C ATOM 229 O LYS A 19 -10.999 -3.147 6.917 1.00 0.00 O ATOM 230 CB LYS A 19 -9.246 -2.894 9.720 1.00 0.00 C ATOM 231 CG LYS A 19 -7.909 -2.897 10.441 1.00 0.00 C ATOM 232 CD LYS A 19 -8.070 -2.564 11.915 1.00 0.00 C ATOM 233 CE LYS A 19 -6.952 -3.170 12.748 1.00 0.00 C ATOM 234 NZ LYS A 19 -7.281 -4.551 13.198 1.00 0.00 N ATOM 0 H LYS A 19 -8.663 -2.401 6.981 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.948 -4.772 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.501 -1.869 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.019 -3.246 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.441 -3.876 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.241 -2.173 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.077 -1.482 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.032 -2.935 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.032 -3.188 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.764 -2.540 13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.494 -4.929 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.144 -4.531 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.435 -5.159 12.368 1.00 0.00 H new ATOM 248 N ASP A 20 -11.522 -4.643 8.513 1.00 0.00 N ATOM 249 CA ASP A 20 -12.904 -4.794 8.073 1.00 0.00 C ATOM 250 C ASP A 20 -13.687 -3.502 8.287 1.00 0.00 C ATOM 251 O ASP A 20 -13.808 -3.018 9.413 1.00 0.00 O ATOM 252 CB ASP A 20 -13.578 -5.944 8.823 1.00 0.00 C ATOM 253 CG ASP A 20 -13.468 -5.796 10.328 1.00 0.00 C ATOM 254 OD1 ASP A 20 -12.333 -5.652 10.828 1.00 0.00 O ATOM 255 OD2 ASP A 20 -14.516 -5.827 11.006 1.00 0.00 O ATOM 0 H ASP A 20 -11.273 -5.212 9.322 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.897 -5.021 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.630 -5.991 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.124 -6.887 8.519 1.00 0.00 H new ATOM 260 N CYS A 21 -14.213 -2.949 7.201 1.00 0.00 N ATOM 261 CA CYS A 21 -14.983 -1.711 7.269 1.00 0.00 C ATOM 262 C CYS A 21 -16.353 -1.886 6.622 1.00 0.00 C ATOM 263 O CYS A 21 -16.496 -2.606 5.634 1.00 0.00 O ATOM 264 CB CYS A 21 -14.223 -0.575 6.584 1.00 0.00 C ATOM 265 SG CYS A 21 -12.956 0.195 7.619 1.00 0.00 S ATOM 0 H CYS A 21 -14.121 -3.337 6.262 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.128 -1.460 8.320 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.753 -0.960 5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.936 0.189 6.272 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.367 1.142 6.951 1.00 0.00 H new ATOM 271 N ALA A 22 -17.357 -1.224 7.187 1.00 0.00 N ATOM 272 CA ALA A 22 -18.715 -1.306 6.665 1.00 0.00 C ATOM 273 C ALA A 22 -19.156 0.027 6.069 1.00 0.00 C ATOM 274 O ALA A 22 -18.889 1.089 6.632 1.00 0.00 O ATOM 275 CB ALA A 22 -19.677 -1.740 7.761 1.00 0.00 C ATOM 0 H ALA A 22 -17.255 -0.625 8.006 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.727 -2.052 5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.688 -1.797 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.381 -2.719 8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.652 -1.015 8.575 1.00 0.00 H new ATOM 281 N VAL A 23 -19.832 -0.035 4.926 1.00 0.00 N ATOM 282 CA VAL A 23 -20.309 1.167 4.254 1.00 0.00 C ATOM 283 C VAL A 23 -21.728 0.976 3.728 1.00 0.00 C ATOM 284 O VAL A 23 -22.158 -0.149 3.468 1.00 0.00 O ATOM 285 CB VAL A 23 -19.388 1.559 3.083 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.761 0.787 1.827 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.452 3.059 2.835 1.00 0.00 C ATOM 0 H VAL A 23 -20.061 -0.905 4.446 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.303 1.967 4.994 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.363 1.300 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.099 1.078 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.659 -0.282 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.792 1.011 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.796 3.319 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.475 3.344 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.131 3.590 3.731 1.00 0.00 H new ATOM 297 N ILE A 24 -22.449 2.080 3.572 1.00 0.00 N ATOM 298 CA ILE A 24 -23.818 2.034 3.075 1.00 0.00 C ATOM 299 C ILE A 24 -23.864 2.261 1.568 1.00 0.00 C ATOM 300 O ILE A 24 -23.115 3.076 1.030 1.00 0.00 O ATOM 301 CB ILE A 24 -24.705 3.086 3.768 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.762 2.824 5.275 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.103 3.078 3.170 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.702 3.750 6.014 1.00 0.00 C ATOM 0 H ILE A 24 -22.108 3.018 3.783 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.202 1.040 3.303 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.268 4.071 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -25.072 1.793 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -23.760 2.928 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.717 3.827 3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.045 3.308 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.550 2.093 3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -25.692 3.507 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -25.380 4.782 5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -26.713 3.629 5.624 1.00 0.00 H new ATOM 316 N GLU A 25 -24.750 1.535 0.893 1.00 0.00 N ATOM 317 CA GLU A 25 -24.894 1.658 -0.553 1.00 0.00 C ATOM 318 C GLU A 25 -24.908 3.124 -0.976 1.00 0.00 C ATOM 319 O GLU A 25 -25.578 3.953 -0.361 1.00 0.00 O ATOM 320 CB GLU A 25 -26.178 0.969 -1.021 1.00 0.00 C ATOM 321 CG GLU A 25 -26.494 1.202 -2.488 1.00 0.00 C ATOM 322 CD GLU A 25 -27.353 2.431 -2.713 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.462 3.257 -1.783 1.00 0.00 O ATOM 324 OE2 GLU A 25 -27.915 2.567 -3.819 1.00 0.00 O ATOM 0 H GLU A 25 -25.378 0.856 1.324 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.038 1.171 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.091 -0.103 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.012 1.326 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.562 1.308 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -27.006 0.327 -2.889 1.00 0.00 H new ATOM 331 N GLY A 26 -24.161 3.438 -2.030 1.00 0.00 N ATOM 332 CA GLY A 26 -24.101 4.803 -2.517 1.00 0.00 C ATOM 333 C GLY A 26 -22.958 5.588 -1.903 1.00 0.00 C ATOM 334 O GLY A 26 -22.301 6.374 -2.584 1.00 0.00 O ATOM 0 H GLY A 26 -23.596 2.771 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.990 4.794 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.043 5.306 -2.297 1.00 0.00 H new ATOM 338 N GLN A 27 -22.722 5.374 -0.612 1.00 0.00 N ATOM 339 CA GLN A 27 -21.653 6.070 0.093 1.00 0.00 C ATOM 340 C GLN A 27 -20.313 5.858 -0.604 1.00 0.00 C ATOM 341 O GLN A 27 -20.236 5.182 -1.630 1.00 0.00 O ATOM 342 CB GLN A 27 -21.570 5.585 1.542 1.00 0.00 C ATOM 343 CG GLN A 27 -22.745 6.025 2.399 1.00 0.00 C ATOM 344 CD GLN A 27 -22.726 7.512 2.696 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.728 8.048 3.180 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.832 8.188 2.406 1.00 0.00 N ATOM 0 H GLN A 27 -23.256 4.725 -0.034 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.881 7.136 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.513 4.497 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.647 5.955 1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.675 5.772 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.733 5.471 3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.636 7.704 2.006 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.878 9.191 2.583 1.00 0.00 H new ATOM 355 N ASP A 28 -19.261 6.441 -0.041 1.00 0.00 N ATOM 356 CA ASP A 28 -17.923 6.316 -0.608 1.00 0.00 C ATOM 357 C ASP A 28 -16.896 6.021 0.481 1.00 0.00 C ATOM 358 O ASP A 28 -16.697 6.822 1.394 1.00 0.00 O ATOM 359 CB ASP A 28 -17.540 7.595 -1.354 1.00 0.00 C ATOM 360 CG ASP A 28 -17.775 8.842 -0.524 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.951 9.224 -0.346 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.784 9.435 -0.051 1.00 0.00 O ATOM 0 H ASP A 28 -19.308 7.005 0.808 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.930 5.483 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.489 7.545 -1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.118 7.661 -2.276 1.00 0.00 H new ATOM 367 N PHE A 29 -16.247 4.866 0.378 1.00 0.00 N ATOM 368 CA PHE A 29 -15.243 4.464 1.355 1.00 0.00 C ATOM 369 C PHE A 29 -13.850 4.458 0.732 1.00 0.00 C ATOM 370 O PHE A 29 -13.681 4.106 -0.436 1.00 0.00 O ATOM 371 CB PHE A 29 -15.570 3.077 1.913 1.00 0.00 C ATOM 372 CG PHE A 29 -15.427 1.975 0.903 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.175 1.490 0.560 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.545 1.424 0.297 1.00 0.00 C ATOM 375 CE1 PHE A 29 -14.042 0.476 -0.370 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.417 0.410 -0.634 1.00 0.00 C ATOM 377 CZ PHE A 29 -15.164 -0.065 -0.967 1.00 0.00 C ATOM 0 H PHE A 29 -16.399 4.192 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.255 5.188 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.914 2.871 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.591 3.079 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.294 1.909 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.527 1.791 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.061 0.107 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -17.296 -0.010 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.061 -0.858 -1.693 1.00 0.00 H new ATOM 387 N VAL A 30 -12.854 4.850 1.520 1.00 0.00 N ATOM 388 CA VAL A 30 -11.475 4.890 1.047 1.00 0.00 C ATOM 389 C VAL A 30 -10.566 4.045 1.932 1.00 0.00 C ATOM 390 O VAL A 30 -10.094 4.503 2.974 1.00 0.00 O ATOM 391 CB VAL A 30 -10.937 6.333 1.007 1.00 0.00 C ATOM 392 CG1 VAL A 30 -9.588 6.380 0.306 1.00 0.00 C ATOM 393 CG2 VAL A 30 -11.935 7.254 0.322 1.00 0.00 C ATOM 0 H VAL A 30 -12.976 5.144 2.489 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.475 4.482 0.036 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.800 6.680 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.223 7.407 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.877 5.752 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.696 6.014 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.539 8.269 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.105 6.911 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.877 7.242 0.871 1.00 0.00 H new ATOM 403 N LEU A 31 -10.323 2.809 1.512 1.00 0.00 N ATOM 404 CA LEU A 31 -9.469 1.898 2.266 1.00 0.00 C ATOM 405 C LEU A 31 -8.046 2.438 2.360 1.00 0.00 C ATOM 406 O LEU A 31 -7.287 2.386 1.393 1.00 0.00 O ATOM 407 CB LEU A 31 -9.459 0.516 1.610 1.00 0.00 C ATOM 408 CG LEU A 31 -10.825 -0.140 1.406 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.796 -1.070 0.203 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.247 -0.896 2.657 1.00 0.00 C ATOM 0 H LEU A 31 -10.705 2.414 0.653 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.873 1.812 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.970 0.600 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.846 -0.149 2.219 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.558 0.644 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.777 -1.528 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.540 -0.501 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.050 -1.849 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.221 -1.356 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.513 -1.670 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.309 -0.204 3.497 1.00 0.00 H new ATOM 422 N GLN A 32 -7.691 2.955 3.533 1.00 0.00 N ATOM 423 CA GLN A 32 -6.358 3.503 3.753 1.00 0.00 C ATOM 424 C GLN A 32 -5.512 2.556 4.597 1.00 0.00 C ATOM 425 O GLN A 32 -5.964 2.057 5.629 1.00 0.00 O ATOM 426 CB GLN A 32 -6.452 4.868 4.437 1.00 0.00 C ATOM 427 CG GLN A 32 -5.116 5.584 4.552 1.00 0.00 C ATOM 428 CD GLN A 32 -5.057 6.522 5.742 1.00 0.00 C ATOM 429 OE1 GLN A 32 -5.662 6.262 6.782 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.326 7.621 5.595 1.00 0.00 N ATOM 0 H GLN A 32 -8.307 3.005 4.344 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.877 3.623 2.782 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.145 5.498 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.872 4.737 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.319 4.846 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.931 6.150 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.841 7.797 4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.250 8.289 6.362 1.00 0.00 H new ATOM 439 N CYS A 33 -4.284 2.312 4.153 1.00 0.00 N ATOM 440 CA CYS A 33 -3.375 1.422 4.867 1.00 0.00 C ATOM 441 C CYS A 33 -1.945 1.949 4.813 1.00 0.00 C ATOM 442 O CYS A 33 -1.601 2.752 3.945 1.00 0.00 O ATOM 443 CB CYS A 33 -3.436 0.014 4.274 1.00 0.00 C ATOM 444 SG CYS A 33 -3.030 -0.064 2.513 1.00 0.00 S ATOM 0 H CYS A 33 -3.895 2.718 3.302 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.689 1.382 5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.749 -0.630 4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.438 -0.388 4.423 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.738 -0.079 2.366 1.00 0.00 H new ATOM 450 N SER A 34 -1.116 1.494 5.747 1.00 0.00 N ATOM 451 CA SER A 34 0.276 1.923 5.809 1.00 0.00 C ATOM 452 C SER A 34 1.211 0.804 5.361 1.00 0.00 C ATOM 453 O SER A 34 1.023 -0.359 5.722 1.00 0.00 O ATOM 454 CB SER A 34 0.633 2.364 7.230 1.00 0.00 C ATOM 455 OG SER A 34 1.757 3.227 7.229 1.00 0.00 O ATOM 0 H SER A 34 -1.384 0.828 6.471 1.00 0.00 H new ATOM 0 HA SER A 34 0.400 2.768 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.219 2.872 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.844 1.488 7.844 1.00 0.00 H new ATOM 0 HG SER A 34 1.964 3.496 8.148 1.00 0.00 H new ATOM 461 N VAL A 35 2.219 1.162 4.573 1.00 0.00 N ATOM 462 CA VAL A 35 3.184 0.189 4.076 1.00 0.00 C ATOM 463 C VAL A 35 4.556 0.826 3.882 1.00 0.00 C ATOM 464 O VAL A 35 4.670 1.927 3.344 1.00 0.00 O ATOM 465 CB VAL A 35 2.724 -0.428 2.742 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.340 0.662 1.753 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.810 -1.324 2.167 1.00 0.00 C ATOM 0 H VAL A 35 2.389 2.119 4.265 1.00 0.00 H new ATOM 0 HA VAL A 35 3.254 -0.598 4.826 1.00 0.00 H new ATOM 0 HB VAL A 35 1.842 -1.040 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.018 0.207 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.526 1.258 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.201 1.304 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.468 -1.752 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.712 -0.737 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.030 -2.127 2.871 1.00 0.00 H new ATOM 477 N ARG A 36 5.595 0.125 4.323 1.00 0.00 N ATOM 478 CA ARG A 36 6.960 0.622 4.198 1.00 0.00 C ATOM 479 C ARG A 36 7.822 -0.349 3.396 1.00 0.00 C ATOM 480 O ARG A 36 7.535 -1.544 3.335 1.00 0.00 O ATOM 481 CB ARG A 36 7.574 0.842 5.582 1.00 0.00 C ATOM 482 CG ARG A 36 6.766 1.779 6.465 1.00 0.00 C ATOM 483 CD ARG A 36 7.513 2.121 7.745 1.00 0.00 C ATOM 484 NE ARG A 36 6.888 3.227 8.465 1.00 0.00 N ATOM 485 CZ ARG A 36 7.305 3.664 9.648 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.343 3.091 10.241 1.00 0.00 N ATOM 487 NH2 ARG A 36 6.684 4.676 10.240 1.00 0.00 N ATOM 0 H ARG A 36 5.518 -0.789 4.770 1.00 0.00 H new ATOM 0 HA ARG A 36 6.926 1.573 3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.673 -0.121 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.580 1.245 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.543 2.694 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.811 1.315 6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.548 1.243 8.390 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.544 2.382 7.505 1.00 0.00 H new ATOM 0 HE ARG A 36 6.087 3.690 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.823 2.313 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.662 3.428 11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.885 5.120 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.005 5.010 11.148 1.00 0.00 H new ATOM 501 N GLY A 37 8.879 0.174 2.782 1.00 0.00 N ATOM 502 CA GLY A 37 9.765 -0.661 1.992 1.00 0.00 C ATOM 503 C GLY A 37 10.643 0.148 1.058 1.00 0.00 C ATOM 504 O GLY A 37 10.230 1.194 0.554 1.00 0.00 O ATOM 0 H GLY A 37 9.137 1.160 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.395 -1.250 2.659 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.172 -1.365 1.409 1.00 0.00 H new ATOM 508 N THR A 38 11.860 -0.334 0.826 1.00 0.00 N ATOM 509 CA THR A 38 12.800 0.353 -0.051 1.00 0.00 C ATOM 510 C THR A 38 13.523 -0.633 -0.961 1.00 0.00 C ATOM 511 O THR A 38 14.178 -1.571 -0.506 1.00 0.00 O ATOM 512 CB THR A 38 13.843 1.148 0.757 1.00 0.00 C ATOM 513 OG1 THR A 38 13.261 2.361 1.249 1.00 0.00 O ATOM 514 CG2 THR A 38 15.057 1.474 -0.101 1.00 0.00 C ATOM 0 H THR A 38 12.218 -1.198 1.234 1.00 0.00 H new ATOM 0 HA THR A 38 12.218 1.045 -0.659 1.00 0.00 H new ATOM 0 HB THR A 38 14.165 0.533 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.930 2.860 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.780 2.036 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.515 0.549 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.747 2.072 -0.958 1.00 0.00 H new ATOM 522 N PRO A 39 13.404 -0.419 -2.280 1.00 0.00 N ATOM 523 CA PRO A 39 12.626 0.693 -2.834 1.00 0.00 C ATOM 524 C PRO A 39 11.126 0.511 -2.629 1.00 0.00 C ATOM 525 O PRO A 39 10.643 -0.610 -2.467 1.00 0.00 O ATOM 526 CB PRO A 39 12.970 0.659 -4.325 1.00 0.00 C ATOM 527 CG PRO A 39 13.360 -0.754 -4.591 1.00 0.00 C ATOM 528 CD PRO A 39 14.018 -1.246 -3.332 1.00 0.00 C ATOM 0 HA PRO A 39 12.866 1.639 -2.349 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.117 0.956 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.784 1.345 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.488 -1.360 -4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.043 -0.818 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.831 -2.307 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.100 -1.115 -3.366 1.00 0.00 H new ATOM 536 N VAL A 40 10.393 1.620 -2.637 1.00 0.00 N ATOM 537 CA VAL A 40 8.947 1.582 -2.453 1.00 0.00 C ATOM 538 C VAL A 40 8.322 0.443 -3.250 1.00 0.00 C ATOM 539 O VAL A 40 8.542 0.299 -4.452 1.00 0.00 O ATOM 540 CB VAL A 40 8.292 2.910 -2.877 1.00 0.00 C ATOM 541 CG1 VAL A 40 7.967 2.895 -4.362 1.00 0.00 C ATOM 542 CG2 VAL A 40 7.042 3.175 -2.051 1.00 0.00 C ATOM 0 H VAL A 40 10.777 2.556 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 40 8.767 1.420 -1.390 1.00 0.00 H new ATOM 0 HB VAL A 40 8.999 3.719 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.505 3.841 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.884 2.755 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.278 2.078 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.592 4.117 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.328 2.365 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.309 3.233 -0.996 1.00 0.00 H new ATOM 552 N PRO A 41 7.521 -0.388 -2.565 1.00 0.00 N ATOM 553 CA PRO A 41 6.845 -1.529 -3.190 1.00 0.00 C ATOM 554 C PRO A 41 5.741 -1.096 -4.148 1.00 0.00 C ATOM 555 O PRO A 41 5.331 0.065 -4.154 1.00 0.00 O ATOM 556 CB PRO A 41 6.253 -2.286 -1.998 1.00 0.00 C ATOM 557 CG PRO A 41 6.085 -1.252 -0.939 1.00 0.00 C ATOM 558 CD PRO A 41 7.213 -0.276 -1.130 1.00 0.00 C ATOM 0 HA PRO A 41 7.527 -2.125 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.300 -2.747 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.916 -3.086 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.119 -0.755 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.121 -1.701 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.917 0.738 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.074 -0.532 -0.513 1.00 0.00 H new ATOM 566 N ARG A 42 5.263 -2.036 -4.956 1.00 0.00 N ATOM 567 CA ARG A 42 4.206 -1.751 -5.919 1.00 0.00 C ATOM 568 C ARG A 42 2.831 -2.006 -5.309 1.00 0.00 C ATOM 569 O ARG A 42 2.584 -3.066 -4.733 1.00 0.00 O ATOM 570 CB ARG A 42 4.386 -2.606 -7.175 1.00 0.00 C ATOM 571 CG ARG A 42 5.308 -1.983 -8.210 1.00 0.00 C ATOM 572 CD ARG A 42 6.762 -2.044 -7.770 1.00 0.00 C ATOM 573 NE ARG A 42 7.384 -3.320 -8.114 1.00 0.00 N ATOM 574 CZ ARG A 42 7.891 -3.592 -9.311 1.00 0.00 C ATOM 575 NH1 ARG A 42 7.851 -2.681 -10.274 1.00 0.00 N ATOM 576 NH2 ARG A 42 8.441 -4.776 -9.547 1.00 0.00 N ATOM 0 H ARG A 42 5.591 -3.002 -4.963 1.00 0.00 H new ATOM 0 HA ARG A 42 4.273 -0.698 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.782 -3.580 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.410 -2.780 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.193 -2.503 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.021 -0.945 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.317 -1.232 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.822 -1.890 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 42 7.432 -4.042 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.430 -1.769 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.241 -2.892 -11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.475 -5.479 -8.809 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.830 -4.983 -10.467 1.00 0.00 H new ATOM 590 N ILE A 43 1.941 -1.029 -5.440 1.00 0.00 N ATOM 591 CA ILE A 43 0.591 -1.149 -4.903 1.00 0.00 C ATOM 592 C ILE A 43 -0.404 -1.529 -5.994 1.00 0.00 C ATOM 593 O ILE A 43 -0.695 -0.735 -6.889 1.00 0.00 O ATOM 594 CB ILE A 43 0.131 0.162 -4.239 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.111 0.573 -3.137 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.273 0.007 -3.675 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.408 -0.534 -2.150 1.00 0.00 C ATOM 0 H ILE A 43 2.130 -0.145 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 43 0.620 -1.938 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 43 0.113 0.947 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.044 0.900 -3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.703 1.429 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.583 0.942 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.963 -0.244 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.280 -0.789 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.109 -0.172 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.483 -0.846 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.846 -1.382 -2.676 1.00 0.00 H new ATOM 609 N THR A 44 -0.925 -2.749 -5.914 1.00 0.00 N ATOM 610 CA THR A 44 -1.888 -3.235 -6.893 1.00 0.00 C ATOM 611 C THR A 44 -3.116 -3.827 -6.211 1.00 0.00 C ATOM 612 O THR A 44 -3.022 -4.833 -5.507 1.00 0.00 O ATOM 613 CB THR A 44 -1.263 -4.300 -7.815 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.166 -3.737 -8.542 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.297 -4.847 -8.788 1.00 0.00 C ATOM 0 H THR A 44 -0.696 -3.419 -5.180 1.00 0.00 H new ATOM 0 HA THR A 44 -2.189 -2.376 -7.493 1.00 0.00 H new ATOM 0 HB THR A 44 -0.902 -5.120 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.226 -4.421 -9.124 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.833 -5.597 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.116 -5.302 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.684 -4.034 -9.403 1.00 0.00 H new ATOM 623 N TRP A 45 -4.266 -3.198 -6.423 1.00 0.00 N ATOM 624 CA TRP A 45 -5.513 -3.664 -5.828 1.00 0.00 C ATOM 625 C TRP A 45 -6.225 -4.644 -6.754 1.00 0.00 C ATOM 626 O TRP A 45 -6.440 -4.356 -7.932 1.00 0.00 O ATOM 627 CB TRP A 45 -6.429 -2.478 -5.519 1.00 0.00 C ATOM 628 CG TRP A 45 -5.792 -1.450 -4.634 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.910 -0.477 -5.010 1.00 0.00 C ATOM 630 CD2 TRP A 45 -5.985 -1.295 -3.224 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.544 0.273 -3.919 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.190 -0.208 -2.811 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.754 -1.968 -2.270 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.143 0.219 -1.487 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.706 -1.543 -0.956 1.00 0.00 C ATOM 636 CH2 TRP A 45 -5.906 -0.457 -0.574 1.00 0.00 C ATOM 0 H TRP A 45 -4.361 -2.364 -7.002 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.273 -4.180 -4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.728 -2.006 -6.455 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.338 -2.845 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.553 -0.320 -6.017 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.896 1.061 -3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.374 -2.805 -2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.526 1.054 -1.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.295 -2.056 -0.210 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.892 -0.148 0.461 1.00 0.00 H new ATOM 647 N LEU A 46 -6.589 -5.802 -6.214 1.00 0.00 N ATOM 648 CA LEU A 46 -7.277 -6.826 -6.993 1.00 0.00 C ATOM 649 C LEU A 46 -8.610 -7.195 -6.348 1.00 0.00 C ATOM 650 O LEU A 46 -8.676 -7.475 -5.151 1.00 0.00 O ATOM 651 CB LEU A 46 -6.399 -8.071 -7.125 1.00 0.00 C ATOM 652 CG LEU A 46 -4.938 -7.825 -7.503 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.050 -8.929 -6.948 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.788 -7.726 -9.014 1.00 0.00 C ATOM 0 H LEU A 46 -6.419 -6.055 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.474 -6.422 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.423 -8.610 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.842 -8.726 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.623 -6.878 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.014 -8.737 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.135 -8.953 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.364 -9.889 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.742 -7.551 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.121 -8.656 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.394 -6.900 -9.386 1.00 0.00 H new ATOM 666 N LEU A 47 -9.669 -7.196 -7.151 1.00 0.00 N ATOM 667 CA LEU A 47 -11.000 -7.534 -6.660 1.00 0.00 C ATOM 668 C LEU A 47 -11.449 -8.891 -7.191 1.00 0.00 C ATOM 669 O LEU A 47 -11.857 -9.013 -8.345 1.00 0.00 O ATOM 670 CB LEU A 47 -12.005 -6.456 -7.069 1.00 0.00 C ATOM 671 CG LEU A 47 -13.469 -6.738 -6.729 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.752 -6.403 -5.273 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.391 -5.952 -7.649 1.00 0.00 C ATOM 0 H LEU A 47 -9.631 -6.967 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.956 -7.587 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.716 -5.519 -6.592 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.926 -6.304 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.660 -7.801 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.798 -6.610 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.116 -7.011 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.545 -5.348 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.429 -6.165 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.200 -4.885 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.206 -6.242 -8.683 1.00 0.00 H new ATOM 685 N ASN A 48 -11.372 -9.909 -6.340 1.00 0.00 N ATOM 686 CA ASN A 48 -11.771 -11.258 -6.724 1.00 0.00 C ATOM 687 C ASN A 48 -10.744 -11.883 -7.663 1.00 0.00 C ATOM 688 O ASN A 48 -11.097 -12.616 -8.586 1.00 0.00 O ATOM 689 CB ASN A 48 -13.146 -11.234 -7.396 1.00 0.00 C ATOM 690 CG ASN A 48 -14.096 -10.255 -6.733 1.00 0.00 C ATOM 691 OD1 ASN A 48 -13.885 -9.843 -5.592 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.149 -9.877 -7.448 1.00 0.00 N ATOM 0 H ASN A 48 -11.037 -9.825 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.826 -11.865 -5.820 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.029 -10.968 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.580 -12.234 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.823 -9.220 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.284 -10.244 -8.390 1.00 0.00 H new ATOM 699 N GLY A 49 -9.471 -11.588 -7.420 1.00 0.00 N ATOM 700 CA GLY A 49 -8.412 -12.129 -8.253 1.00 0.00 C ATOM 701 C GLY A 49 -8.051 -11.210 -9.403 1.00 0.00 C ATOM 702 O GLY A 49 -6.878 -11.063 -9.742 1.00 0.00 O ATOM 0 H GLY A 49 -9.154 -10.984 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.527 -12.305 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.723 -13.096 -8.649 1.00 0.00 H new ATOM 706 N GLN A 50 -9.063 -10.592 -10.004 1.00 0.00 N ATOM 707 CA GLN A 50 -8.845 -9.684 -11.124 1.00 0.00 C ATOM 708 C GLN A 50 -8.587 -8.264 -10.632 1.00 0.00 C ATOM 709 O GLN A 50 -9.166 -7.808 -9.645 1.00 0.00 O ATOM 710 CB GLN A 50 -10.053 -9.699 -12.062 1.00 0.00 C ATOM 711 CG GLN A 50 -11.310 -9.104 -11.447 1.00 0.00 C ATOM 712 CD GLN A 50 -12.417 -8.901 -12.462 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.437 -7.905 -13.185 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.347 -9.847 -12.521 1.00 0.00 N ATOM 0 H GLN A 50 -10.040 -10.703 -9.735 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.965 -10.025 -11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.805 -9.146 -12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.257 -10.727 -12.362 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.667 -9.760 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.066 -8.147 -10.985 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.291 -10.656 -11.903 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.117 -9.764 -13.185 1.00 0.00 H new ATOM 723 N PRO A 51 -7.697 -7.546 -11.333 1.00 0.00 N ATOM 724 CA PRO A 51 -7.342 -6.167 -10.986 1.00 0.00 C ATOM 725 C PRO A 51 -8.484 -5.191 -11.249 1.00 0.00 C ATOM 726 O PRO A 51 -9.403 -5.487 -12.013 1.00 0.00 O ATOM 727 CB PRO A 51 -6.157 -5.864 -11.906 1.00 0.00 C ATOM 728 CG PRO A 51 -6.336 -6.778 -13.068 1.00 0.00 C ATOM 729 CD PRO A 51 -6.970 -8.026 -12.520 1.00 0.00 C ATOM 0 HA PRO A 51 -7.114 -6.059 -9.926 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.156 -4.820 -12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.208 -6.046 -11.402 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.968 -6.321 -13.830 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.379 -7.001 -13.540 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.642 -8.486 -13.244 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.222 -8.775 -12.258 1.00 0.00 H new ATOM 737 N ILE A 52 -8.419 -4.027 -10.612 1.00 0.00 N ATOM 738 CA ILE A 52 -9.447 -3.007 -10.779 1.00 0.00 C ATOM 739 C ILE A 52 -9.085 -2.040 -11.901 1.00 0.00 C ATOM 740 O ILE A 52 -8.004 -1.452 -11.901 1.00 0.00 O ATOM 741 CB ILE A 52 -9.665 -2.209 -9.480 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.831 -3.161 -8.293 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.880 -1.303 -9.612 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.730 -2.474 -6.949 1.00 0.00 C ATOM 0 H ILE A 52 -7.666 -3.767 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.369 -3.528 -11.035 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.789 -1.586 -9.303 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.799 -3.656 -8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.070 -3.939 -8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -11.021 -0.746 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.726 -0.605 -10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.765 -1.908 -9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.857 -3.209 -6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.752 -2.002 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.508 -1.715 -6.869 1.00 0.00 H new ATOM 756 N GLN A 53 -9.997 -1.880 -12.855 1.00 0.00 N ATOM 757 CA GLN A 53 -9.773 -0.983 -13.982 1.00 0.00 C ATOM 758 C GLN A 53 -9.934 0.473 -13.560 1.00 0.00 C ATOM 759 O GLN A 53 -9.057 1.302 -13.805 1.00 0.00 O ATOM 760 CB GLN A 53 -10.744 -1.307 -15.119 1.00 0.00 C ATOM 761 CG GLN A 53 -12.202 -1.065 -14.762 1.00 0.00 C ATOM 762 CD GLN A 53 -13.158 -1.759 -15.711 1.00 0.00 C ATOM 763 OE1 GLN A 53 -13.840 -1.111 -16.507 1.00 0.00 O ATOM 764 NE2 GLN A 53 -13.214 -3.083 -15.633 1.00 0.00 N ATOM 0 H GLN A 53 -10.897 -2.360 -12.870 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.751 -1.129 -14.333 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.486 -0.703 -15.989 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.618 -2.351 -15.407 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.386 -1.415 -13.746 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.401 0.007 -14.771 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.631 -3.579 -14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.840 -3.604 -16.247 1.00 0.00 H new ATOM 773 N TYR A 54 -11.060 0.778 -12.924 1.00 0.00 N ATOM 774 CA TYR A 54 -11.337 2.136 -12.470 1.00 0.00 C ATOM 775 C TYR A 54 -10.891 2.328 -11.024 1.00 0.00 C ATOM 776 O TYR A 54 -11.624 2.880 -10.204 1.00 0.00 O ATOM 777 CB TYR A 54 -12.830 2.445 -12.599 1.00 0.00 C ATOM 778 CG TYR A 54 -13.723 1.289 -12.208 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.826 0.883 -10.883 1.00 0.00 C ATOM 780 CD2 TYR A 54 -14.464 0.604 -13.162 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.640 -0.172 -10.520 1.00 0.00 C ATOM 782 CE2 TYR A 54 -15.283 -0.452 -12.808 1.00 0.00 C ATOM 783 CZ TYR A 54 -15.367 -0.836 -11.487 1.00 0.00 C ATOM 784 OH TYR A 54 -16.180 -1.888 -11.130 1.00 0.00 O ATOM 0 H TYR A 54 -11.795 0.104 -12.711 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.774 2.824 -13.100 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.070 3.306 -11.975 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -13.046 2.728 -13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.260 1.402 -10.124 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -14.399 0.901 -14.198 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.707 -0.476 -9.486 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.854 -0.973 -13.562 1.00 0.00 H new ATOM 0 HH TYR A 54 -16.622 -2.245 -11.928 1.00 0.00 H new ATOM 794 N ALA A 55 -9.681 1.870 -10.719 1.00 0.00 N ATOM 795 CA ALA A 55 -9.134 1.993 -9.374 1.00 0.00 C ATOM 796 C ALA A 55 -8.319 3.274 -9.228 1.00 0.00 C ATOM 797 O ALA A 55 -7.138 3.312 -9.572 1.00 0.00 O ATOM 798 CB ALA A 55 -8.278 0.780 -9.039 1.00 0.00 C ATOM 0 H ALA A 55 -9.061 1.410 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.967 2.041 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.876 0.886 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.888 -0.122 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.456 0.706 -9.752 1.00 0.00 H new ATOM 804 N ARG A 56 -8.958 4.321 -8.716 1.00 0.00 N ATOM 805 CA ARG A 56 -8.293 5.604 -8.526 1.00 0.00 C ATOM 806 C ARG A 56 -7.507 5.621 -7.218 1.00 0.00 C ATOM 807 O ARG A 56 -7.603 6.568 -6.437 1.00 0.00 O ATOM 808 CB ARG A 56 -9.317 6.740 -8.533 1.00 0.00 C ATOM 809 CG ARG A 56 -10.091 6.854 -9.836 1.00 0.00 C ATOM 810 CD ARG A 56 -11.013 8.063 -9.833 1.00 0.00 C ATOM 811 NE ARG A 56 -10.271 9.317 -9.741 1.00 0.00 N ATOM 812 CZ ARG A 56 -10.842 10.515 -9.791 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.157 10.621 -9.930 1.00 0.00 N ATOM 814 NH2 ARG A 56 -10.099 11.611 -9.700 1.00 0.00 N ATOM 0 H ARG A 56 -9.936 4.306 -8.425 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.595 5.748 -9.351 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.021 6.589 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.803 7.682 -8.342 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.393 6.930 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.677 5.949 -9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.614 8.063 -10.743 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.705 7.989 -8.994 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.258 9.270 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.732 9.781 -9.999 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.593 11.542 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.088 11.534 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.539 12.530 -9.739 1.00 0.00 H new ATOM 828 N SER A 57 -6.731 4.567 -6.986 1.00 0.00 N ATOM 829 CA SER A 57 -5.933 4.459 -5.770 1.00 0.00 C ATOM 830 C SER A 57 -4.737 5.405 -5.820 1.00 0.00 C ATOM 831 O SER A 57 -4.166 5.648 -6.884 1.00 0.00 O ATOM 832 CB SER A 57 -5.452 3.020 -5.577 1.00 0.00 C ATOM 833 OG SER A 57 -4.657 2.597 -6.671 1.00 0.00 O ATOM 0 H SER A 57 -6.638 3.776 -7.624 1.00 0.00 H new ATOM 0 HA SER A 57 -6.562 4.741 -4.925 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.876 2.947 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.311 2.357 -5.470 1.00 0.00 H new ATOM 0 HG SER A 57 -4.464 1.640 -6.584 1.00 0.00 H new ATOM 839 N THR A 58 -4.362 5.937 -4.661 1.00 0.00 N ATOM 840 CA THR A 58 -3.235 6.857 -4.571 1.00 0.00 C ATOM 841 C THR A 58 -2.336 6.511 -3.390 1.00 0.00 C ATOM 842 O THR A 58 -2.738 6.639 -2.233 1.00 0.00 O ATOM 843 CB THR A 58 -3.710 8.315 -4.430 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.538 8.451 -3.269 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.483 8.754 -5.664 1.00 0.00 C ATOM 0 H THR A 58 -4.823 5.746 -3.771 1.00 0.00 H new ATOM 0 HA THR A 58 -2.669 6.755 -5.497 1.00 0.00 H new ATOM 0 HB THR A 58 -2.831 8.951 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.139 7.956 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.808 9.787 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.841 8.678 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.354 8.112 -5.795 1.00 0.00 H new ATOM 853 N CYS A 59 -1.118 6.072 -3.688 1.00 0.00 N ATOM 854 CA CYS A 59 -0.161 5.707 -2.649 1.00 0.00 C ATOM 855 C CYS A 59 0.918 6.775 -2.505 1.00 0.00 C ATOM 856 O CYS A 59 1.817 6.879 -3.339 1.00 0.00 O ATOM 857 CB CYS A 59 0.481 4.356 -2.970 1.00 0.00 C ATOM 858 SG CYS A 59 1.798 3.876 -1.828 1.00 0.00 S ATOM 0 H CYS A 59 -0.770 5.960 -4.640 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.699 5.630 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.292 3.587 -2.961 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.886 4.389 -3.982 1.00 0.00 H new ATOM 0 HG CYS A 59 2.662 4.842 -1.732 1.00 0.00 H new ATOM 864 N GLU A 60 0.821 7.567 -1.442 1.00 0.00 N ATOM 865 CA GLU A 60 1.789 8.629 -1.190 1.00 0.00 C ATOM 866 C GLU A 60 2.407 8.484 0.197 1.00 0.00 C ATOM 867 O GLU A 60 1.787 7.944 1.112 1.00 0.00 O ATOM 868 CB GLU A 60 1.121 10.000 -1.322 1.00 0.00 C ATOM 869 CG GLU A 60 1.238 10.603 -2.712 1.00 0.00 C ATOM 870 CD GLU A 60 2.616 10.410 -3.317 1.00 0.00 C ATOM 871 OE1 GLU A 60 3.581 11.011 -2.801 1.00 0.00 O ATOM 872 OE2 GLU A 60 2.728 9.656 -4.307 1.00 0.00 O ATOM 0 H GLU A 60 0.083 7.494 -0.742 1.00 0.00 H new ATOM 0 HA GLU A 60 2.582 8.546 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.066 9.907 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.568 10.683 -0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.492 10.150 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.013 11.668 -2.662 1.00 0.00 H new ATOM 879 N ALA A 61 3.635 8.972 0.345 1.00 0.00 N ATOM 880 CA ALA A 61 4.338 8.898 1.619 1.00 0.00 C ATOM 881 C ALA A 61 4.107 7.551 2.297 1.00 0.00 C ATOM 882 O ALA A 61 3.881 7.483 3.504 1.00 0.00 O ATOM 883 CB ALA A 61 3.896 10.033 2.532 1.00 0.00 C ATOM 0 H ALA A 61 4.163 9.423 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 61 5.406 8.998 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.429 9.966 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.118 10.989 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.824 9.958 2.712 1.00 0.00 H new ATOM 889 N GLY A 62 4.166 6.481 1.510 1.00 0.00 N ATOM 890 CA GLY A 62 3.961 5.150 2.052 1.00 0.00 C ATOM 891 C GLY A 62 2.564 4.960 2.608 1.00 0.00 C ATOM 892 O GLY A 62 2.372 4.250 3.596 1.00 0.00 O ATOM 0 H GLY A 62 4.352 6.512 0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.142 4.411 1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.691 4.966 2.840 1.00 0.00 H new ATOM 896 N VAL A 63 1.584 5.597 1.975 1.00 0.00 N ATOM 897 CA VAL A 63 0.197 5.495 2.412 1.00 0.00 C ATOM 898 C VAL A 63 -0.715 5.097 1.258 1.00 0.00 C ATOM 899 O VAL A 63 -1.208 5.951 0.521 1.00 0.00 O ATOM 900 CB VAL A 63 -0.301 6.824 3.012 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.754 6.703 3.444 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.578 7.243 4.181 1.00 0.00 C ATOM 0 H VAL A 63 1.725 6.190 1.157 1.00 0.00 H new ATOM 0 HA VAL A 63 0.163 4.723 3.180 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.238 7.596 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.088 7.651 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.370 6.452 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.846 5.919 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.212 8.184 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.549 6.473 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.604 7.373 3.837 1.00 0.00 H new ATOM 912 N ALA A 64 -0.937 3.796 1.108 1.00 0.00 N ATOM 913 CA ALA A 64 -1.793 3.284 0.044 1.00 0.00 C ATOM 914 C ALA A 64 -3.265 3.527 0.360 1.00 0.00 C ATOM 915 O ALA A 64 -3.723 3.258 1.471 1.00 0.00 O ATOM 916 CB ALA A 64 -1.535 1.801 -0.173 1.00 0.00 C ATOM 0 H ALA A 64 -0.536 3.077 1.710 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.552 3.821 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.181 1.432 -0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.492 1.650 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.747 1.256 0.747 1.00 0.00 H new ATOM 922 N GLU A 65 -4.001 4.036 -0.623 1.00 0.00 N ATOM 923 CA GLU A 65 -5.421 4.316 -0.447 1.00 0.00 C ATOM 924 C GLU A 65 -6.210 3.931 -1.695 1.00 0.00 C ATOM 925 O GLU A 65 -5.724 4.073 -2.819 1.00 0.00 O ATOM 926 CB GLU A 65 -5.637 5.797 -0.131 1.00 0.00 C ATOM 927 CG GLU A 65 -4.772 6.309 1.009 1.00 0.00 C ATOM 928 CD GLU A 65 -5.396 7.486 1.732 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.641 7.532 1.825 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.641 8.361 2.205 1.00 0.00 O ATOM 0 H GLU A 65 -3.638 4.263 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.782 3.717 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.430 6.385 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.686 5.957 0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.599 5.501 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.798 6.603 0.617 1.00 0.00 H new ATOM 937 N LEU A 66 -7.428 3.443 -1.491 1.00 0.00 N ATOM 938 CA LEU A 66 -8.285 3.036 -2.599 1.00 0.00 C ATOM 939 C LEU A 66 -9.627 3.759 -2.543 1.00 0.00 C ATOM 940 O LEU A 66 -10.537 3.347 -1.823 1.00 0.00 O ATOM 941 CB LEU A 66 -8.507 1.523 -2.570 1.00 0.00 C ATOM 942 CG LEU A 66 -9.251 0.930 -3.767 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.419 1.066 -5.033 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.599 -0.529 -3.509 1.00 0.00 C ATOM 0 H LEU A 66 -7.845 3.319 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.786 3.306 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.535 1.035 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.060 1.275 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.179 1.485 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.964 0.639 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.221 2.120 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.475 0.537 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.128 -0.935 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.684 -1.098 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.235 -0.601 -2.626 1.00 0.00 H new ATOM 956 N HIS A 67 -9.744 4.839 -3.310 1.00 0.00 N ATOM 957 CA HIS A 67 -10.977 5.618 -3.350 1.00 0.00 C ATOM 958 C HIS A 67 -12.071 4.866 -4.101 1.00 0.00 C ATOM 959 O HIS A 67 -11.965 4.636 -5.306 1.00 0.00 O ATOM 960 CB HIS A 67 -10.727 6.973 -4.012 1.00 0.00 C ATOM 961 CG HIS A 67 -9.735 7.824 -3.280 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.916 9.174 -3.064 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.548 7.509 -2.712 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.881 9.652 -2.396 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.037 8.662 -2.169 1.00 0.00 N ATOM 0 H HIS A 67 -9.001 5.194 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.310 5.779 -2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.373 6.811 -5.030 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.672 7.512 -4.085 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.088 6.532 -2.690 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.748 10.678 -2.088 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.150 8.741 -1.671 1.00 0.00 H new ATOM 974 N ILE A 68 -13.121 4.484 -3.381 1.00 0.00 N ATOM 975 CA ILE A 68 -14.234 3.758 -3.980 1.00 0.00 C ATOM 976 C ILE A 68 -15.551 4.495 -3.762 1.00 0.00 C ATOM 977 O ILE A 68 -16.175 4.372 -2.708 1.00 0.00 O ATOM 978 CB ILE A 68 -14.353 2.335 -3.404 1.00 0.00 C ATOM 979 CG1 ILE A 68 -13.097 1.523 -3.728 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.593 1.644 -3.951 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.818 1.408 -5.210 1.00 0.00 C ATOM 0 H ILE A 68 -13.224 4.665 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 68 -14.030 3.692 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.448 2.405 -2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.239 1.985 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.202 0.523 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.663 0.639 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.480 2.214 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.526 1.583 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.914 0.820 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.659 0.918 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.681 2.403 -5.633 1.00 0.00 H new ATOM 993 N GLN A 69 -15.969 5.258 -4.767 1.00 0.00 N ATOM 994 CA GLN A 69 -17.214 6.014 -4.685 1.00 0.00 C ATOM 995 C GLN A 69 -18.388 5.184 -5.192 1.00 0.00 C ATOM 996 O GLN A 69 -18.204 4.213 -5.926 1.00 0.00 O ATOM 997 CB GLN A 69 -17.103 7.309 -5.491 1.00 0.00 C ATOM 998 CG GLN A 69 -16.929 7.082 -6.985 1.00 0.00 C ATOM 999 CD GLN A 69 -16.289 8.265 -7.683 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.532 9.024 -7.077 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.589 8.429 -8.967 1.00 0.00 N ATOM 0 H GLN A 69 -15.465 5.369 -5.647 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.392 6.261 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.998 7.909 -5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.258 7.888 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.316 6.195 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.902 6.882 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.221 7.776 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.187 9.208 -9.489 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.595 5.572 -4.796 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.801 4.865 -5.211 1.00 0.00 C ATOM 1012 C ASP A 70 -20.723 3.389 -4.831 1.00 0.00 C ATOM 1013 O ASP A 70 -20.947 2.511 -5.664 1.00 0.00 O ATOM 1014 CB ASP A 70 -21.007 5.006 -6.720 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.511 6.382 -7.109 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.460 6.870 -6.462 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -20.956 6.970 -8.061 1.00 0.00 O ATOM 0 H ASP A 70 -19.764 6.373 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.650 5.311 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.065 4.809 -7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.718 4.253 -7.059 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.403 3.124 -3.569 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.296 1.756 -3.079 1.00 0.00 C ATOM 1024 C ALA A 71 -21.528 0.940 -3.456 1.00 0.00 C ATOM 1025 O ALA A 71 -22.589 1.082 -2.847 1.00 0.00 O ATOM 1026 CB ALA A 71 -20.097 1.749 -1.571 1.00 0.00 C ATOM 0 H ALA A 71 -20.213 3.839 -2.867 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.428 1.294 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.019 0.720 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.183 2.288 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.947 2.233 -1.090 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.381 0.085 -4.462 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.483 -0.753 -4.921 1.00 0.00 C ATOM 1034 C LEU A 72 -22.466 -2.107 -4.218 1.00 0.00 C ATOM 1035 O LEU A 72 -21.426 -2.588 -3.768 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.402 -0.952 -6.436 1.00 0.00 C ATOM 1037 CG LEU A 72 -22.848 0.233 -7.293 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.471 0.011 -8.749 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.348 0.456 -7.156 1.00 0.00 C ATOM 0 H LEU A 72 -20.509 -0.046 -4.975 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.417 -0.248 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.372 -1.195 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.010 -1.816 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.334 1.127 -6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.797 0.865 -9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.390 -0.098 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -22.956 -0.893 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -24.648 1.303 -7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -24.880 -0.437 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.592 0.662 -6.114 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.645 -2.738 -4.121 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.792 -4.047 -3.477 1.00 0.00 C ATOM 1053 C PRO A 73 -23.147 -5.167 -4.285 1.00 0.00 C ATOM 1054 O PRO A 73 -23.133 -6.322 -3.860 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.309 -4.241 -3.409 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.847 -3.407 -4.521 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.926 -2.224 -4.635 1.00 0.00 C ATOM 0 HA PRO A 73 -23.300 -4.080 -2.505 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.580 -5.289 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.706 -3.921 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.875 -3.971 -5.453 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.868 -3.088 -4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.837 -1.882 -5.666 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.284 -1.378 -4.048 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.615 -4.818 -5.452 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.969 -5.796 -6.320 1.00 0.00 C ATOM 1067 C GLU A 74 -20.453 -5.750 -6.157 1.00 0.00 C ATOM 1068 O GLU A 74 -19.758 -6.728 -6.434 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.344 -5.541 -7.781 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.847 -4.207 -8.313 1.00 0.00 C ATOM 1071 CD GLU A 74 -21.773 -4.174 -9.827 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -22.841 -4.125 -10.473 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -20.647 -4.197 -10.366 1.00 0.00 O ATOM 0 H GLU A 74 -22.618 -3.866 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.318 -6.787 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.937 -6.343 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.429 -5.581 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.509 -3.413 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.860 -4.000 -7.900 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.946 -4.607 -5.706 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.513 -4.433 -5.505 1.00 0.00 C ATOM 1082 C ASP A 75 -18.028 -5.247 -4.309 1.00 0.00 C ATOM 1083 O ASP A 75 -16.874 -5.672 -4.262 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.181 -2.954 -5.299 1.00 0.00 C ATOM 1085 CG ASP A 75 -18.090 -2.193 -6.607 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -17.068 -2.339 -7.309 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -19.042 -1.452 -6.930 1.00 0.00 O ATOM 0 H ASP A 75 -20.507 -3.788 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.000 -4.792 -6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.945 -2.498 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.234 -2.868 -4.765 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.918 -5.459 -3.345 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.581 -6.222 -2.148 1.00 0.00 C ATOM 1094 C HIS A 76 -17.784 -7.473 -2.508 1.00 0.00 C ATOM 1095 O HIS A 76 -18.290 -8.371 -3.179 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.851 -6.611 -1.391 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.706 -7.863 -0.582 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.713 -8.796 -0.452 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -18.662 -8.335 0.139 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.296 -9.787 0.316 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.054 -9.532 0.688 1.00 0.00 N ATOM 0 H HIS A 76 -19.877 -5.114 -3.369 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.964 -5.592 -1.507 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.136 -5.792 -0.730 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.664 -6.742 -2.105 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -17.700 -7.859 0.260 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -20.872 -10.657 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -18.480 -10.127 1.285 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.535 -7.523 -2.056 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.689 -8.668 -2.341 1.00 0.00 C ATOM 1112 C GLY A 77 -14.515 -8.772 -1.387 1.00 0.00 C ATOM 1113 O GLY A 77 -14.673 -8.618 -0.176 1.00 0.00 O ATOM 0 H GLY A 77 -16.094 -6.792 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.284 -9.579 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.318 -8.596 -3.363 1.00 0.00 H new ATOM 1117 N THR A 78 -13.332 -9.038 -1.934 1.00 0.00 N ATOM 1118 CA THR A 78 -12.128 -9.166 -1.124 1.00 0.00 C ATOM 1119 C THR A 78 -10.972 -8.377 -1.729 1.00 0.00 C ATOM 1120 O THR A 78 -10.276 -8.862 -2.621 1.00 0.00 O ATOM 1121 CB THR A 78 -11.706 -10.640 -0.975 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.792 -11.410 -0.448 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.496 -10.767 -0.061 1.00 0.00 C ATOM 0 H THR A 78 -13.183 -9.169 -2.935 1.00 0.00 H new ATOM 0 HA THR A 78 -12.364 -8.762 -0.140 1.00 0.00 H new ATOM 0 HB THR A 78 -11.438 -11.019 -1.961 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.516 -12.346 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.217 -11.817 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.662 -10.204 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.741 -10.371 0.925 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.773 -7.159 -1.237 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.701 -6.302 -1.731 1.00 0.00 C ATOM 1133 C TYR A 79 -8.351 -6.741 -1.172 1.00 0.00 C ATOM 1134 O TYR A 79 -8.101 -6.645 0.030 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.972 -4.844 -1.355 1.00 0.00 C ATOM 1136 CG TYR A 79 -11.177 -4.253 -2.051 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.465 -4.542 -1.619 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -11.026 -3.404 -3.141 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.569 -4.004 -2.252 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -12.124 -2.861 -3.780 1.00 0.00 C ATOM 1141 CZ TYR A 79 -13.393 -3.164 -3.332 1.00 0.00 C ATOM 1142 OH TYR A 79 -14.490 -2.625 -3.965 1.00 0.00 O ATOM 0 H TYR A 79 -11.339 -6.743 -0.497 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.670 -6.391 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.116 -4.776 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.094 -4.246 -1.597 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.606 -5.199 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.034 -3.165 -3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.564 -4.240 -1.903 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.990 -2.203 -4.626 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.193 -2.055 -4.705 1.00 0.00 H new ATOM 1152 N THR A 80 -7.481 -7.223 -2.055 1.00 0.00 N ATOM 1153 CA THR A 80 -6.157 -7.678 -1.652 1.00 0.00 C ATOM 1154 C THR A 80 -5.080 -6.694 -2.096 1.00 0.00 C ATOM 1155 O THR A 80 -4.892 -6.462 -3.291 1.00 0.00 O ATOM 1156 CB THR A 80 -5.838 -9.067 -2.236 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.770 -10.033 -1.737 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.421 -9.492 -1.881 1.00 0.00 C ATOM 0 H THR A 80 -7.670 -7.308 -3.054 1.00 0.00 H new ATOM 0 HA THR A 80 -6.162 -7.742 -0.564 1.00 0.00 H new ATOM 0 HB THR A 80 -5.921 -9.008 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.562 -10.913 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.219 -10.476 -2.304 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.712 -8.770 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.315 -9.535 -0.797 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.375 -6.120 -1.127 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.316 -5.160 -1.419 1.00 0.00 C ATOM 1168 C CYS A 81 -1.955 -5.848 -1.460 1.00 0.00 C ATOM 1169 O CYS A 81 -1.340 -6.094 -0.422 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.306 -4.046 -0.371 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.038 -2.786 -0.645 1.00 0.00 S ATOM 0 H CYS A 81 -4.517 -6.302 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.513 -4.725 -2.399 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.284 -3.565 -0.358 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.156 -4.489 0.613 1.00 0.00 H new ATOM 0 HG CYS A 81 -0.977 -3.081 0.046 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.491 -6.159 -2.665 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.204 -6.821 -2.843 1.00 0.00 C ATOM 1179 C LEU A 82 0.922 -5.798 -2.960 1.00 0.00 C ATOM 1180 O LEU A 82 0.782 -4.781 -3.637 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.232 -7.710 -4.087 1.00 0.00 C ATOM 1182 CG LEU A 82 1.129 -8.146 -4.632 1.00 0.00 C ATOM 1183 CD1 LEU A 82 1.914 -8.895 -3.567 1.00 0.00 C ATOM 1184 CD2 LEU A 82 0.955 -9.007 -5.874 1.00 0.00 C ATOM 0 H LEU A 82 -1.988 -5.963 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.018 -7.441 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.812 -8.604 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.764 -7.179 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 82 1.691 -7.254 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.880 -9.198 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.069 -8.246 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.357 -9.779 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.934 -9.308 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.374 -9.894 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.433 -8.436 -6.642 1.00 0.00 H new ATOM 1196 N ALA A 83 2.040 -6.078 -2.296 1.00 0.00 N ATOM 1197 CA ALA A 83 3.191 -5.185 -2.329 1.00 0.00 C ATOM 1198 C ALA A 83 4.495 -5.973 -2.401 1.00 0.00 C ATOM 1199 O ALA A 83 4.863 -6.669 -1.456 1.00 0.00 O ATOM 1200 CB ALA A 83 3.189 -4.275 -1.110 1.00 0.00 C ATOM 0 H ALA A 83 2.172 -6.916 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 83 3.117 -4.571 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.055 -3.614 -1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.277 -3.679 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.234 -4.880 -0.204 1.00 0.00 H new ATOM 1206 N GLU A 84 5.188 -5.859 -3.530 1.00 0.00 N ATOM 1207 CA GLU A 84 6.450 -6.563 -3.724 1.00 0.00 C ATOM 1208 C GLU A 84 7.494 -5.645 -4.353 1.00 0.00 C ATOM 1209 O GLU A 84 7.174 -4.810 -5.198 1.00 0.00 O ATOM 1210 CB GLU A 84 6.242 -7.796 -4.607 1.00 0.00 C ATOM 1211 CG GLU A 84 5.879 -7.461 -6.044 1.00 0.00 C ATOM 1212 CD GLU A 84 5.941 -8.670 -6.957 1.00 0.00 C ATOM 1213 OE1 GLU A 84 7.024 -9.282 -7.060 1.00 0.00 O ATOM 1214 OE2 GLU A 84 4.905 -9.003 -7.570 1.00 0.00 O ATOM 0 H GLU A 84 4.897 -5.287 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 84 6.812 -6.882 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.153 -8.394 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.453 -8.412 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.874 -7.040 -6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.557 -6.693 -6.417 1.00 0.00 H new ATOM 1221 N ASN A 85 8.745 -5.806 -3.934 1.00 0.00 N ATOM 1222 CA ASN A 85 9.837 -4.991 -4.455 1.00 0.00 C ATOM 1223 C ASN A 85 10.992 -5.868 -4.928 1.00 0.00 C ATOM 1224 O ASN A 85 10.890 -7.094 -4.940 1.00 0.00 O ATOM 1225 CB ASN A 85 10.328 -4.015 -3.384 1.00 0.00 C ATOM 1226 CG ASN A 85 11.016 -4.720 -2.231 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.179 -5.940 -2.243 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.424 -3.953 -1.227 1.00 0.00 N ATOM 0 H ASN A 85 9.028 -6.493 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 85 9.461 -4.425 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.019 -3.303 -3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.482 -3.442 -3.003 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.893 -4.371 -0.424 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.268 -2.946 -1.259 1.00 0.00 H new ATOM 1235 N ALA A 86 12.091 -5.230 -5.317 1.00 0.00 N ATOM 1236 CA ALA A 86 13.267 -5.951 -5.789 1.00 0.00 C ATOM 1237 C ALA A 86 13.925 -6.729 -4.654 1.00 0.00 C ATOM 1238 O ALA A 86 14.911 -7.438 -4.864 1.00 0.00 O ATOM 1239 CB ALA A 86 14.262 -4.986 -6.416 1.00 0.00 C ATOM 0 H ALA A 86 12.192 -4.215 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 86 12.945 -6.666 -6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.135 -5.538 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.794 -4.478 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.571 -4.249 -5.675 1.00 0.00 H new ATOM 1245 N LEU A 87 13.375 -6.593 -3.453 1.00 0.00 N ATOM 1246 CA LEU A 87 13.910 -7.284 -2.284 1.00 0.00 C ATOM 1247 C LEU A 87 13.012 -8.450 -1.883 1.00 0.00 C ATOM 1248 O LEU A 87 13.333 -9.610 -2.139 1.00 0.00 O ATOM 1249 CB LEU A 87 14.053 -6.310 -1.113 1.00 0.00 C ATOM 1250 CG LEU A 87 15.399 -5.593 -0.997 1.00 0.00 C ATOM 1251 CD1 LEU A 87 15.386 -4.301 -1.799 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.731 -5.315 0.461 1.00 0.00 C ATOM 0 H LEU A 87 12.559 -6.011 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 87 14.893 -7.678 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.269 -5.557 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.874 -6.857 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 87 16.172 -6.243 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 87 16.352 -3.804 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.195 -4.526 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 87 14.602 -3.645 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.692 -4.805 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.956 -4.685 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.783 -6.256 1.008 1.00 0.00 H new ATOM 1264 N GLY A 88 11.884 -8.134 -1.255 1.00 0.00 N ATOM 1265 CA GLY A 88 10.956 -9.166 -0.831 1.00 0.00 C ATOM 1266 C GLY A 88 9.584 -9.003 -1.453 1.00 0.00 C ATOM 1267 O GLY A 88 9.430 -8.313 -2.460 1.00 0.00 O ATOM 0 H GLY A 88 11.596 -7.181 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.358 -10.144 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.864 -9.144 0.255 1.00 0.00 H new ATOM 1271 N GLN A 89 8.584 -9.642 -0.853 1.00 0.00 N ATOM 1272 CA GLN A 89 7.218 -9.566 -1.357 1.00 0.00 C ATOM 1273 C GLN A 89 6.219 -9.990 -0.286 1.00 0.00 C ATOM 1274 O GLN A 89 6.407 -11.003 0.388 1.00 0.00 O ATOM 1275 CB GLN A 89 7.060 -10.449 -2.596 1.00 0.00 C ATOM 1276 CG GLN A 89 7.367 -11.916 -2.342 1.00 0.00 C ATOM 1277 CD GLN A 89 7.110 -12.785 -3.558 1.00 0.00 C ATOM 1278 OE1 GLN A 89 7.934 -13.625 -3.919 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.963 -12.586 -4.196 1.00 0.00 N ATOM 0 H GLN A 89 8.694 -10.217 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 89 7.014 -8.530 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.039 -10.359 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.719 -10.079 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.410 -12.018 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.759 -12.272 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.309 -11.878 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.735 -13.141 -5.021 1.00 0.00 H new ATOM 1288 N VAL A 90 5.155 -9.207 -0.134 1.00 0.00 N ATOM 1289 CA VAL A 90 4.125 -9.501 0.856 1.00 0.00 C ATOM 1290 C VAL A 90 2.732 -9.249 0.290 1.00 0.00 C ATOM 1291 O VAL A 90 2.575 -8.561 -0.719 1.00 0.00 O ATOM 1292 CB VAL A 90 4.311 -8.654 2.128 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.598 -9.037 2.842 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.301 -7.172 1.787 1.00 0.00 C ATOM 0 H VAL A 90 4.984 -8.365 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 90 4.225 -10.555 1.113 1.00 0.00 H new ATOM 0 HB VAL A 90 3.478 -8.854 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.712 -8.428 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.560 -10.090 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.446 -8.868 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.434 -6.588 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.113 -6.953 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.349 -6.911 1.324 1.00 0.00 H new ATOM 1304 N SER A 91 1.722 -9.812 0.946 1.00 0.00 N ATOM 1305 CA SER A 91 0.341 -9.651 0.506 1.00 0.00 C ATOM 1306 C SER A 91 -0.608 -9.607 1.700 1.00 0.00 C ATOM 1307 O SER A 91 -0.486 -10.402 2.633 1.00 0.00 O ATOM 1308 CB SER A 91 -0.054 -10.794 -0.432 1.00 0.00 C ATOM 1309 OG SER A 91 0.103 -12.051 0.202 1.00 0.00 O ATOM 0 H SER A 91 1.834 -10.383 1.784 1.00 0.00 H new ATOM 0 HA SER A 91 0.265 -8.706 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.090 -10.669 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.559 -10.758 -1.332 1.00 0.00 H new ATOM 0 HG SER A 91 -0.157 -12.765 -0.417 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.551 -8.673 1.664 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.521 -8.523 2.743 1.00 0.00 C ATOM 1317 C CYS A 92 -3.933 -8.371 2.188 1.00 0.00 C ATOM 1318 O CYS A 92 -4.194 -7.501 1.357 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.168 -7.313 3.610 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.233 -5.733 2.733 1.00 0.00 S ATOM 0 H CYS A 92 -1.665 -8.008 0.899 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.486 -9.423 3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.853 -7.275 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.166 -7.450 4.016 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.026 -5.280 2.564 1.00 0.00 H new ATOM 1326 N SER A 93 -4.841 -9.225 2.651 1.00 0.00 N ATOM 1327 CA SER A 93 -6.226 -9.189 2.197 1.00 0.00 C ATOM 1328 C SER A 93 -7.135 -8.599 3.270 1.00 0.00 C ATOM 1329 O SER A 93 -6.832 -8.665 4.461 1.00 0.00 O ATOM 1330 CB SER A 93 -6.700 -10.597 1.829 1.00 0.00 C ATOM 1331 OG SER A 93 -6.637 -11.465 2.947 1.00 0.00 O ATOM 0 H SER A 93 -4.642 -9.950 3.340 1.00 0.00 H new ATOM 0 HA SER A 93 -6.276 -8.553 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.723 -10.554 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.083 -10.993 1.022 1.00 0.00 H new ATOM 0 HG SER A 93 -6.947 -12.357 2.686 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.251 -8.021 2.839 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.206 -7.420 3.762 1.00 0.00 C ATOM 1339 C ALA A 94 -10.639 -7.769 3.373 1.00 0.00 C ATOM 1340 O ALA A 94 -10.893 -8.245 2.267 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.021 -5.910 3.803 1.00 0.00 C ATOM 0 H ALA A 94 -8.516 -7.956 1.856 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.018 -7.825 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.740 -5.474 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.010 -5.676 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.180 -5.497 2.807 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.570 -7.530 4.290 1.00 0.00 N ATOM 1348 CA TRP A 95 -12.977 -7.821 4.043 1.00 0.00 C ATOM 1349 C TRP A 95 -13.807 -6.542 4.055 1.00 0.00 C ATOM 1350 O TRP A 95 -13.780 -5.781 5.023 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.509 -8.798 5.093 1.00 0.00 C ATOM 1352 CG TRP A 95 -14.951 -9.158 4.893 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.038 -8.477 5.363 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.461 -10.285 4.173 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.193 -9.113 4.978 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.866 -10.225 4.246 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.868 -11.338 3.471 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.685 -11.178 3.646 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.681 -12.283 2.876 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.077 -12.198 2.966 1.00 0.00 C ATOM 0 H TRP A 95 -11.376 -7.136 5.210 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.060 -8.277 3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.908 -9.707 5.070 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.385 -8.359 6.083 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -15.995 -7.572 5.951 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.140 -8.807 5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.793 -11.412 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.761 -11.114 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.233 -13.101 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.685 -12.953 2.489 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.545 -6.310 2.974 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.385 -5.123 2.861 1.00 0.00 C ATOM 1373 C VAL A 96 -16.814 -5.495 2.485 1.00 0.00 C ATOM 1374 O VAL A 96 -17.054 -6.121 1.452 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.829 -4.141 1.813 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.757 -2.946 1.657 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.427 -3.691 2.196 1.00 0.00 C ATOM 0 H VAL A 96 -14.578 -6.929 2.164 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.384 -4.640 3.838 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.772 -4.654 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.348 -2.263 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.740 -3.289 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.848 -2.429 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.049 -2.998 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.457 -3.194 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.769 -4.558 2.252 1.00 0.00 H new ATOM 1387 N THR A 97 -17.764 -5.105 3.330 1.00 0.00 N ATOM 1388 CA THR A 97 -19.171 -5.397 3.087 1.00 0.00 C ATOM 1389 C THR A 97 -19.967 -4.117 2.858 1.00 0.00 C ATOM 1390 O THR A 97 -19.799 -3.133 3.578 1.00 0.00 O ATOM 1391 CB THR A 97 -19.794 -6.173 4.263 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.031 -7.355 4.529 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.235 -6.552 3.957 1.00 0.00 C ATOM 0 H THR A 97 -17.584 -4.586 4.189 1.00 0.00 H new ATOM 0 HA THR A 97 -19.216 -6.014 2.190 1.00 0.00 H new ATOM 0 HB THR A 97 -19.783 -5.529 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 97 -18.137 -7.104 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.654 -7.099 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.820 -5.649 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.265 -7.180 3.067 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.834 -4.138 1.851 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.658 -2.979 1.529 1.00 0.00 C ATOM 1403 C VAL A 98 -23.104 -3.195 1.961 1.00 0.00 C ATOM 1404 O VAL A 98 -23.810 -4.037 1.404 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.625 -2.669 0.020 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.370 -1.376 -0.276 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.189 -2.592 -0.476 1.00 0.00 C ATOM 0 H VAL A 98 -20.984 -4.944 1.244 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.242 -2.133 2.076 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.126 -3.478 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.336 -1.173 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.408 -1.473 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.900 -0.554 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.184 -2.372 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.661 -1.803 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.691 -3.546 -0.299 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.540 -2.430 2.956 1.00 0.00 N ATOM 1418 CA HIS A 99 -24.903 -2.537 3.463 1.00 0.00 C ATOM 1419 C HIS A 99 -25.917 -2.271 2.354 1.00 0.00 C ATOM 1420 O HIS A 99 -26.793 -3.096 2.090 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.121 -1.554 4.614 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.289 -1.854 5.822 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.385 -3.035 6.528 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.339 -1.120 6.448 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.532 -3.013 7.537 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -22.885 -1.862 7.511 1.00 0.00 N ATOM 0 H HIS A 99 -22.969 -1.729 3.428 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.049 -3.553 3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -24.894 -0.546 4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.174 -1.565 4.896 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.016 -3.805 6.306 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.001 -0.134 6.164 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.388 -3.802 8.260 1.00 0.00 H new