USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 785 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 Set 1.1: A 11 LYS NZ :NH3+ 138:sc= 0.0896 (180deg=0) USER MOD Set 1.2: A 79 TYR OH : rot -154:sc= 0.93 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=-0.078) USER MOD Single : A 23 SER OG : rot 180:sc= -0.914 USER MOD Single : A 24 MET CE :methyl 143:sc= -0.294 (180deg=-2.75!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl -149:sc= -0.446 (180deg=-1.67!) USER MOD Single : A 40 THR OG1 : rot 174:sc= -1.05 USER MOD Single : A 42 HIS : no HD1:sc= -0.02 K(o=-0.02,f=-0.75) USER MOD Single : A 45 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.53) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.137 USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.257) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.294 (180deg=-1.24) USER MOD Single : A 64 SER OG : rot 100:sc= -0.065 USER MOD Single : A 66 GLN : amide:sc= -0.0778 K(o=-0.078,f=-0.89) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 89 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0.0327 (180deg=-0.847) USER MOD Single : A 100 THR OG1 : rot -150:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -130:sc= -0.147 (180deg=-1.09) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -11.689 11.798 -6.593 1.00 0.00 N ATOM 2 CA ALA A 8 -11.599 10.534 -5.872 1.00 0.00 C ATOM 3 C ALA A 8 -10.186 10.300 -5.350 1.00 0.00 C ATOM 4 O ALA A 8 -9.336 9.754 -6.053 1.00 0.00 O ATOM 5 CB ALA A 8 -12.029 9.384 -6.772 1.00 0.00 C ATOM 0 HA ALA A 8 -12.271 10.582 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.957 8.445 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.059 9.539 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.379 9.343 -7.646 1.00 0.00 H new ATOM 11 N ASP A 9 -9.942 10.718 -4.111 1.00 0.00 N ATOM 12 CA ASP A 9 -8.630 10.555 -3.495 1.00 0.00 C ATOM 13 C ASP A 9 -8.759 10.326 -1.993 1.00 0.00 C ATOM 14 O ASP A 9 -8.614 11.255 -1.198 1.00 0.00 O ATOM 15 CB ASP A 9 -7.761 11.785 -3.763 1.00 0.00 C ATOM 16 CG ASP A 9 -7.040 11.704 -5.095 1.00 0.00 C ATOM 17 OD1 ASP A 9 -6.375 10.678 -5.348 1.00 0.00 O ATOM 18 OD2 ASP A 9 -7.143 12.667 -5.884 1.00 0.00 O ATOM 0 H ASP A 9 -10.635 11.171 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.154 9.680 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.385 12.678 -3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.029 11.891 -2.962 1.00 0.00 H new ATOM 23 N ARG A 10 -9.030 9.082 -1.610 1.00 0.00 N ATOM 24 CA ARG A 10 -9.177 8.728 -0.203 1.00 0.00 C ATOM 25 C ARG A 10 -8.557 7.365 0.080 1.00 0.00 C ATOM 26 O ARG A 10 -8.608 6.464 -0.758 1.00 0.00 O ATOM 27 CB ARG A 10 -10.655 8.722 0.191 1.00 0.00 C ATOM 28 CG ARG A 10 -11.312 10.091 0.112 1.00 0.00 C ATOM 29 CD ARG A 10 -12.471 10.105 -0.875 1.00 0.00 C ATOM 30 NE ARG A 10 -13.760 10.244 -0.203 1.00 0.00 N ATOM 31 CZ ARG A 10 -14.210 11.390 0.306 1.00 0.00 C ATOM 32 NH1 ARG A 10 -13.480 12.494 0.222 1.00 0.00 N ATOM 33 NH2 ARG A 10 -15.396 11.430 0.899 1.00 0.00 N ATOM 0 H ARG A 10 -9.152 8.302 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.654 9.476 0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.193 8.032 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.750 8.341 1.208 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.672 10.379 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.571 10.833 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.338 10.927 -1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.463 9.183 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.350 9.416 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.568 12.469 -0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.830 13.368 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.962 10.584 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.742 12.307 1.289 1.00 0.00 H new ATOM 47 N LYS A 11 -7.972 7.218 1.264 1.00 0.00 N ATOM 48 CA LYS A 11 -7.344 5.961 1.652 1.00 0.00 C ATOM 49 C LYS A 11 -7.547 5.688 3.138 1.00 0.00 C ATOM 50 O LYS A 11 -7.570 6.611 3.949 1.00 0.00 O ATOM 51 CB LYS A 11 -5.849 5.992 1.326 1.00 0.00 C ATOM 52 CG LYS A 11 -5.120 4.707 1.684 1.00 0.00 C ATOM 53 CD LYS A 11 -3.627 4.943 1.854 1.00 0.00 C ATOM 54 CE LYS A 11 -2.985 5.404 0.556 1.00 0.00 C ATOM 55 NZ LYS A 11 -1.787 6.252 0.800 1.00 0.00 N ATOM 0 H LYS A 11 -7.920 7.952 1.970 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.816 5.158 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.722 6.187 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.387 6.823 1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.532 4.298 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.286 3.964 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.462 5.692 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.148 4.024 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.700 4.535 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.713 5.965 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.032 5.986 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.035 7.252 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.455 6.111 1.776 1.00 0.00 H new ATOM 69 N LEU A 12 -7.711 4.417 3.487 1.00 0.00 N ATOM 70 CA LEU A 12 -7.935 4.030 4.867 1.00 0.00 C ATOM 71 C LEU A 12 -6.649 3.792 5.615 1.00 0.00 C ATOM 72 O LEU A 12 -5.680 3.241 5.092 1.00 0.00 O ATOM 73 CB LEU A 12 -8.803 2.788 4.918 1.00 0.00 C ATOM 74 CG LEU A 12 -10.208 3.064 4.443 1.00 0.00 C ATOM 75 CD1 LEU A 12 -10.494 2.341 3.134 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.232 2.695 5.505 1.00 0.00 C ATOM 0 H LEU A 12 -7.692 3.638 2.828 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.443 4.859 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.358 2.008 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.833 2.408 5.939 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.291 4.135 4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.513 2.557 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.794 2.681 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.379 1.267 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.235 2.906 5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.147 1.634 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.049 3.281 6.406 1.00 0.00 H new ATOM 88 N CYS A 13 -6.674 4.229 6.855 1.00 0.00 N ATOM 89 CA CYS A 13 -5.526 4.097 7.745 1.00 0.00 C ATOM 90 C CYS A 13 -5.918 3.436 9.060 1.00 0.00 C ATOM 91 O CYS A 13 -7.087 3.435 9.447 1.00 0.00 O ATOM 92 CB CYS A 13 -4.908 5.469 8.025 1.00 0.00 C ATOM 93 SG CYS A 13 -3.117 5.421 8.365 1.00 0.00 S ATOM 0 H CYS A 13 -7.482 4.684 7.279 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.792 3.464 7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.087 6.118 7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.417 5.918 8.878 1.00 0.00 H new ATOM 98 N ALA A 14 -4.926 2.879 9.744 1.00 0.00 N ATOM 99 CA ALA A 14 -5.146 2.214 11.020 1.00 0.00 C ATOM 100 C ALA A 14 -5.443 3.226 12.125 1.00 0.00 C ATOM 101 O ALA A 14 -4.700 3.328 13.102 1.00 0.00 O ATOM 102 CB ALA A 14 -3.932 1.372 11.384 1.00 0.00 C ATOM 0 H ALA A 14 -3.955 2.876 9.432 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.014 1.563 10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.105 0.878 12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.766 0.621 10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.054 2.013 11.461 1.00 0.00 H new ATOM 108 N ASP A 15 -6.532 3.970 11.965 1.00 0.00 N ATOM 109 CA ASP A 15 -6.925 4.973 12.950 1.00 0.00 C ATOM 110 C ASP A 15 -5.893 6.091 13.030 1.00 0.00 C ATOM 111 O ASP A 15 -4.915 6.101 12.285 1.00 0.00 O ATOM 112 CB ASP A 15 -7.108 4.326 14.326 1.00 0.00 C ATOM 113 CG ASP A 15 -8.549 4.366 14.796 1.00 0.00 C ATOM 114 OD1 ASP A 15 -9.312 3.437 14.453 1.00 0.00 O ATOM 115 OD2 ASP A 15 -8.916 5.325 15.506 1.00 0.00 O ATOM 0 H ASP A 15 -7.158 3.898 11.163 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.874 5.404 12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.770 3.290 14.285 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.477 4.839 15.052 1.00 0.00 H new ATOM 120 N GLN A 16 -6.121 7.035 13.939 1.00 0.00 N ATOM 121 CA GLN A 16 -5.212 8.163 14.117 1.00 0.00 C ATOM 122 C GLN A 16 -3.784 7.687 14.374 1.00 0.00 C ATOM 123 O GLN A 16 -2.824 8.416 14.124 1.00 0.00 O ATOM 124 CB GLN A 16 -5.682 9.043 15.277 1.00 0.00 C ATOM 125 CG GLN A 16 -5.859 8.285 16.582 1.00 0.00 C ATOM 126 CD GLN A 16 -6.661 9.066 17.605 1.00 0.00 C ATOM 127 OE1 GLN A 16 -7.833 8.777 17.843 1.00 0.00 O ATOM 128 NE2 GLN A 16 -6.031 10.063 18.216 1.00 0.00 N ATOM 0 H GLN A 16 -6.927 7.041 14.564 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.218 8.746 13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.961 9.846 15.428 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.629 9.511 15.007 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.357 7.336 16.382 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.879 8.049 16.997 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.058 10.268 17.988 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.520 10.624 18.914 1.00 0.00 H new ATOM 137 N GLU A 17 -3.650 6.464 14.876 1.00 0.00 N ATOM 138 CA GLU A 17 -2.340 5.898 15.167 1.00 0.00 C ATOM 139 C GLU A 17 -1.575 5.596 13.881 1.00 0.00 C ATOM 140 O GLU A 17 -0.457 6.070 13.688 1.00 0.00 O ATOM 141 CB GLU A 17 -2.487 4.624 16.003 1.00 0.00 C ATOM 142 CG GLU A 17 -1.921 4.750 17.409 1.00 0.00 C ATOM 143 CD GLU A 17 -1.556 3.408 18.012 1.00 0.00 C ATOM 144 OE1 GLU A 17 -2.433 2.520 18.059 1.00 0.00 O ATOM 145 OE2 GLU A 17 -0.393 3.245 18.438 1.00 0.00 O ATOM 0 H GLU A 17 -4.433 5.846 15.089 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.773 6.634 15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.543 4.362 16.068 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.985 3.803 15.491 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.036 5.386 17.385 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.652 5.245 18.048 1.00 0.00 H new ATOM 152 N CYS A 18 -2.184 4.798 13.008 1.00 0.00 N ATOM 153 CA CYS A 18 -1.556 4.428 11.744 1.00 0.00 C ATOM 154 C CYS A 18 -0.201 3.768 11.983 1.00 0.00 C ATOM 155 O CYS A 18 0.681 3.809 11.123 1.00 0.00 O ATOM 156 CB CYS A 18 -1.385 5.660 10.852 1.00 0.00 C ATOM 157 SG CYS A 18 -2.945 6.319 10.178 1.00 0.00 S ATOM 0 H CYS A 18 -3.110 4.396 13.153 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.207 3.713 11.241 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.891 6.444 11.426 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.723 5.406 10.024 1.00 0.00 H new ATOM 162 N SER A 19 -0.039 3.162 13.156 1.00 0.00 N ATOM 163 CA SER A 19 1.210 2.495 13.508 1.00 0.00 C ATOM 164 C SER A 19 1.252 1.081 12.936 1.00 0.00 C ATOM 165 O SER A 19 1.913 0.829 11.928 1.00 0.00 O ATOM 166 CB SER A 19 1.378 2.451 15.028 1.00 0.00 C ATOM 167 OG SER A 19 2.188 3.521 15.483 1.00 0.00 O ATOM 0 H SER A 19 -0.757 3.119 13.879 1.00 0.00 H new ATOM 0 HA SER A 19 2.032 3.065 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.400 2.502 15.507 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.827 1.502 15.320 1.00 0.00 H new ATOM 0 HG SER A 19 2.278 3.471 16.458 1.00 0.00 H new ATOM 173 N HIS A 20 0.543 0.162 13.584 1.00 0.00 N ATOM 174 CA HIS A 20 0.501 -1.225 13.137 1.00 0.00 C ATOM 175 C HIS A 20 -0.038 -1.317 11.711 1.00 0.00 C ATOM 176 O HIS A 20 -0.817 -0.468 11.278 1.00 0.00 O ATOM 177 CB HIS A 20 -0.364 -2.063 14.080 1.00 0.00 C ATOM 178 CG HIS A 20 -0.012 -1.890 15.525 1.00 0.00 C ATOM 179 ND1 HIS A 20 1.288 -1.875 15.988 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.799 -1.724 16.615 1.00 0.00 C ATOM 181 CE1 HIS A 20 1.284 -1.709 17.299 1.00 0.00 C ATOM 182 NE2 HIS A 20 0.031 -1.613 17.703 1.00 0.00 N ATOM 0 H HIS A 20 -0.010 0.353 14.420 1.00 0.00 H new ATOM 0 HA HIS A 20 1.518 -1.617 13.149 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.411 -1.795 13.935 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.264 -3.115 13.813 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.878 -1.686 16.626 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.157 -1.660 17.932 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.272 -1.478 18.668 1.00 0.00 H new ATOM 191 N PRO A 21 0.376 -2.350 10.959 1.00 0.00 N ATOM 192 CA PRO A 21 -0.065 -2.543 9.576 1.00 0.00 C ATOM 193 C PRO A 21 -1.504 -3.040 9.481 1.00 0.00 C ATOM 194 O PRO A 21 -2.159 -3.282 10.494 1.00 0.00 O ATOM 195 CB PRO A 21 0.903 -3.601 9.044 1.00 0.00 C ATOM 196 CG PRO A 21 1.307 -4.379 10.248 1.00 0.00 C ATOM 197 CD PRO A 21 1.311 -3.406 11.396 1.00 0.00 C ATOM 0 HA PRO A 21 -0.055 -1.610 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.424 -4.239 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.765 -3.142 8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.611 -5.197 10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.293 -4.824 10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.980 -3.877 12.322 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.309 -3.007 11.580 1.00 0.00 H new ATOM 205 N ILE A 22 -1.984 -3.190 8.252 1.00 0.00 N ATOM 206 CA ILE A 22 -3.341 -3.659 8.001 1.00 0.00 C ATOM 207 C ILE A 22 -3.423 -5.171 8.139 1.00 0.00 C ATOM 208 O ILE A 22 -4.362 -5.711 8.724 1.00 0.00 O ATOM 209 CB ILE A 22 -3.815 -3.249 6.579 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.234 -2.680 6.630 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.745 -4.426 5.601 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.386 -1.512 7.581 1.00 0.00 C ATOM 0 H ILE A 22 -1.448 -2.992 7.407 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.991 -3.194 8.742 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.139 -2.475 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.525 -2.362 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.923 -3.471 6.926 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.084 -4.102 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.717 -4.781 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.384 -5.234 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.418 -1.161 7.564 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.127 -1.829 8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.723 -0.704 7.273 1.00 0.00 H new ATOM 224 N SER A 23 -2.439 -5.843 7.562 1.00 0.00 N ATOM 225 CA SER A 23 -2.386 -7.292 7.572 1.00 0.00 C ATOM 226 C SER A 23 -1.142 -7.776 6.849 1.00 0.00 C ATOM 227 O SER A 23 -0.241 -6.995 6.542 1.00 0.00 O ATOM 228 CB SER A 23 -3.639 -7.863 6.899 1.00 0.00 C ATOM 229 OG SER A 23 -3.768 -7.381 5.573 1.00 0.00 O ATOM 0 H SER A 23 -1.659 -5.400 7.076 1.00 0.00 H new ATOM 0 HA SER A 23 -2.347 -7.637 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.587 -8.952 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.522 -7.590 7.476 1.00 0.00 H new ATOM 0 HG SER A 23 -4.574 -7.761 5.164 1.00 0.00 H new ATOM 235 N MET A 24 -1.106 -9.064 6.581 1.00 0.00 N ATOM 236 CA MET A 24 0.026 -9.673 5.889 1.00 0.00 C ATOM 237 C MET A 24 -0.413 -10.317 4.579 1.00 0.00 C ATOM 238 O MET A 24 -1.451 -10.978 4.518 1.00 0.00 O ATOM 239 CB MET A 24 0.699 -10.716 6.781 1.00 0.00 C ATOM 240 CG MET A 24 2.209 -10.769 6.624 1.00 0.00 C ATOM 241 SD MET A 24 2.896 -12.385 7.035 1.00 0.00 S ATOM 242 CE MET A 24 2.227 -13.386 5.710 1.00 0.00 C ATOM 0 H MET A 24 -1.848 -9.718 6.830 1.00 0.00 H new ATOM 0 HA MET A 24 0.742 -8.883 5.661 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.458 -10.501 7.822 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.284 -11.698 6.554 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.472 -10.518 5.597 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.663 -10.012 7.264 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.967 -14.126 5.404 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.327 -13.895 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.979 -12.748 4.862 1.00 0.00 H new ATOM 252 N ALA A 25 0.384 -10.122 3.533 1.00 0.00 N ATOM 253 CA ALA A 25 0.074 -10.688 2.226 1.00 0.00 C ATOM 254 C ALA A 25 1.340 -11.033 1.454 1.00 0.00 C ATOM 255 O ALA A 25 2.273 -10.235 1.378 1.00 0.00 O ATOM 256 CB ALA A 25 -0.793 -9.730 1.425 1.00 0.00 C ATOM 0 H ALA A 25 1.246 -9.578 3.565 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.480 -11.613 2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.015 -10.168 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.724 -9.546 1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.262 -8.788 1.286 1.00 0.00 H new ATOM 262 N VAL A 26 1.360 -12.234 0.887 1.00 0.00 N ATOM 263 CA VAL A 26 2.510 -12.699 0.120 1.00 0.00 C ATOM 264 C VAL A 26 2.280 -12.540 -1.379 1.00 0.00 C ATOM 265 O VAL A 26 1.147 -12.574 -1.852 1.00 0.00 O ATOM 266 CB VAL A 26 2.822 -14.176 0.426 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.121 -14.603 -0.241 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.887 -14.406 1.929 1.00 0.00 C ATOM 0 H VAL A 26 0.593 -12.904 0.944 1.00 0.00 H new ATOM 0 HA VAL A 26 3.358 -12.082 0.418 1.00 0.00 H new ATOM 0 HB VAL A 26 2.017 -14.788 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.321 -15.650 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.034 -14.479 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.940 -13.987 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.108 -15.455 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.671 -13.782 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.929 -14.146 2.379 1.00 0.00 H new ATOM 278 N ALA A 27 3.368 -12.368 -2.120 1.00 0.00 N ATOM 279 CA ALA A 27 3.296 -12.204 -3.566 1.00 0.00 C ATOM 280 C ALA A 27 2.809 -13.481 -4.241 1.00 0.00 C ATOM 281 O ALA A 27 3.404 -14.546 -4.080 1.00 0.00 O ATOM 282 CB ALA A 27 4.657 -11.805 -4.117 1.00 0.00 C ATOM 0 H ALA A 27 4.314 -12.338 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 27 2.578 -11.413 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.591 -11.685 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.970 -10.863 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.386 -12.580 -3.882 1.00 0.00 H new ATOM 288 N LEU A 28 1.727 -13.366 -5.002 1.00 0.00 N ATOM 289 CA LEU A 28 1.164 -14.510 -5.707 1.00 0.00 C ATOM 290 C LEU A 28 1.839 -14.706 -7.065 1.00 0.00 C ATOM 291 O LEU A 28 1.518 -15.644 -7.793 1.00 0.00 O ATOM 292 CB LEU A 28 -0.344 -14.328 -5.896 1.00 0.00 C ATOM 293 CG LEU A 28 -1.178 -15.596 -5.714 1.00 0.00 C ATOM 294 CD1 LEU A 28 -0.871 -16.599 -6.815 1.00 0.00 C ATOM 295 CD2 LEU A 28 -0.924 -16.209 -4.345 1.00 0.00 C ATOM 0 H LEU A 28 1.222 -12.492 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 28 1.344 -15.399 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.695 -13.576 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.524 -13.934 -6.896 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.232 -15.327 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.474 -17.495 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.105 -16.158 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.186 -16.863 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.526 -17.111 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.132 -16.463 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.196 -15.493 -3.570 1.00 0.00 H new ATOM 307 N GLN A 29 2.781 -13.818 -7.396 1.00 0.00 N ATOM 308 CA GLN A 29 3.508 -13.889 -8.655 1.00 0.00 C ATOM 309 C GLN A 29 4.288 -12.605 -8.908 1.00 0.00 C ATOM 310 O GLN A 29 4.182 -11.639 -8.152 1.00 0.00 O ATOM 311 CB GLN A 29 2.558 -14.154 -9.828 1.00 0.00 C ATOM 312 CG GLN A 29 1.341 -13.245 -9.840 1.00 0.00 C ATOM 313 CD GLN A 29 0.260 -13.730 -10.785 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.523 -14.618 -10.448 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.212 -13.146 -11.977 1.00 0.00 N ATOM 0 H GLN A 29 3.056 -13.037 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 29 4.210 -14.719 -8.578 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.104 -14.029 -10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.226 -15.192 -9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.933 -13.177 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.646 -12.239 -10.129 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.882 -12.414 -12.214 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.494 -13.430 -12.656 1.00 0.00 H new ATOM 324 N ASP A 30 5.072 -12.606 -9.978 1.00 0.00 N ATOM 325 CA ASP A 30 5.877 -11.446 -10.345 1.00 0.00 C ATOM 326 C ASP A 30 4.990 -10.298 -10.814 1.00 0.00 C ATOM 327 O ASP A 30 3.946 -10.519 -11.427 1.00 0.00 O ATOM 328 CB ASP A 30 6.874 -11.818 -11.443 1.00 0.00 C ATOM 329 CG ASP A 30 7.841 -10.692 -11.752 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.641 -10.336 -10.862 1.00 0.00 O ATOM 331 OD2 ASP A 30 7.799 -10.167 -12.884 1.00 0.00 O ATOM 0 H ASP A 30 5.168 -13.401 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 30 6.426 -11.120 -9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.435 -12.701 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.330 -12.085 -12.349 1.00 0.00 H new ATOM 336 N TYR A 31 5.408 -9.071 -10.520 1.00 0.00 N ATOM 337 CA TYR A 31 4.644 -7.892 -10.911 1.00 0.00 C ATOM 338 C TYR A 31 5.515 -6.637 -10.888 1.00 0.00 C ATOM 339 O TYR A 31 5.545 -5.908 -9.896 1.00 0.00 O ATOM 340 CB TYR A 31 3.438 -7.720 -9.981 1.00 0.00 C ATOM 341 CG TYR A 31 2.736 -6.387 -10.120 1.00 0.00 C ATOM 342 CD1 TYR A 31 1.845 -6.152 -11.160 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.965 -5.364 -9.209 1.00 0.00 C ATOM 344 CE1 TYR A 31 1.203 -4.935 -11.287 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.328 -4.146 -9.329 1.00 0.00 C ATOM 346 CZ TYR A 31 1.447 -3.935 -10.370 1.00 0.00 C ATOM 347 OH TYR A 31 0.811 -2.722 -10.493 1.00 0.00 O ATOM 0 H TYR A 31 6.270 -8.868 -10.013 1.00 0.00 H new ATOM 0 HA TYR A 31 4.292 -8.036 -11.932 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.723 -8.518 -10.180 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.769 -7.839 -8.949 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.651 -6.933 -11.880 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.654 -5.525 -8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.513 -4.768 -12.101 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.518 -3.361 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.063 -2.852 -10.916 1.00 0.00 H new ATOM 357 N MET A 32 6.227 -6.393 -11.984 1.00 0.00 N ATOM 358 CA MET A 32 7.093 -5.244 -12.095 1.00 0.00 C ATOM 359 C MET A 32 6.291 -3.947 -12.077 1.00 0.00 C ATOM 360 O MET A 32 5.893 -3.441 -13.125 1.00 0.00 O ATOM 361 CB MET A 32 7.924 -5.326 -13.376 1.00 0.00 C ATOM 362 CG MET A 32 9.019 -6.380 -13.324 1.00 0.00 C ATOM 363 SD MET A 32 10.477 -5.821 -12.423 1.00 0.00 S ATOM 364 CE MET A 32 10.890 -4.336 -13.335 1.00 0.00 C ATOM 0 H MET A 32 6.214 -6.989 -12.812 1.00 0.00 H new ATOM 0 HA MET A 32 7.762 -5.245 -11.235 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.263 -5.542 -14.215 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.376 -4.353 -13.569 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.628 -7.282 -12.852 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.306 -6.651 -14.340 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.969 -4.181 -13.309 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.564 -4.442 -14.370 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.389 -3.480 -12.883 1.00 0.00 H new ATOM 374 N ALA A 33 6.050 -3.423 -10.876 1.00 0.00 N ATOM 375 CA ALA A 33 5.290 -2.195 -10.697 1.00 0.00 C ATOM 376 C ALA A 33 5.606 -1.157 -11.776 1.00 0.00 C ATOM 377 O ALA A 33 6.581 -0.413 -11.664 1.00 0.00 O ATOM 378 CB ALA A 33 5.556 -1.612 -9.317 1.00 0.00 C ATOM 0 H ALA A 33 6.377 -3.839 -10.004 1.00 0.00 H new ATOM 0 HA ALA A 33 4.234 -2.449 -10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.983 -0.693 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.258 -2.331 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.619 -1.393 -9.213 1.00 0.00 H new ATOM 384 N PRO A 34 4.785 -1.097 -12.840 1.00 0.00 N ATOM 385 CA PRO A 34 4.982 -0.148 -13.940 1.00 0.00 C ATOM 386 C PRO A 34 4.688 1.288 -13.520 1.00 0.00 C ATOM 387 O PRO A 34 3.546 1.742 -13.588 1.00 0.00 O ATOM 388 CB PRO A 34 3.978 -0.607 -15.012 1.00 0.00 C ATOM 389 CG PRO A 34 3.479 -1.939 -14.556 1.00 0.00 C ATOM 390 CD PRO A 34 3.605 -1.943 -13.061 1.00 0.00 C ATOM 0 HA PRO A 34 6.015 -0.144 -14.287 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.159 0.105 -15.111 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.455 -0.681 -15.989 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.443 -2.092 -14.860 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.063 -2.746 -14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.717 -1.535 -12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.748 -2.950 -12.668 1.00 0.00 H new ATOM 398 N ASP A 35 5.724 2.000 -13.088 1.00 0.00 N ATOM 399 CA ASP A 35 5.571 3.387 -12.659 1.00 0.00 C ATOM 400 C ASP A 35 6.919 3.993 -12.279 1.00 0.00 C ATOM 401 O ASP A 35 7.290 4.016 -11.105 1.00 0.00 O ATOM 402 CB ASP A 35 4.605 3.471 -11.474 1.00 0.00 C ATOM 403 CG ASP A 35 3.304 4.159 -11.837 1.00 0.00 C ATOM 404 OD1 ASP A 35 2.958 4.184 -13.037 1.00 0.00 O ATOM 405 OD2 ASP A 35 2.628 4.675 -10.921 1.00 0.00 O ATOM 0 H ASP A 35 6.677 1.641 -13.026 1.00 0.00 H new ATOM 0 HA ASP A 35 5.162 3.957 -13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.392 2.466 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.083 4.011 -10.657 1.00 0.00 H new ATOM 410 N CYS A 36 7.645 4.483 -13.279 1.00 0.00 N ATOM 411 CA CYS A 36 8.952 5.093 -13.056 1.00 0.00 C ATOM 412 C CYS A 36 9.936 4.082 -12.470 1.00 0.00 C ATOM 413 O CYS A 36 10.767 3.523 -13.188 1.00 0.00 O ATOM 414 CB CYS A 36 8.824 6.302 -12.125 1.00 0.00 C ATOM 415 SG CYS A 36 8.114 7.779 -12.921 1.00 0.00 S ATOM 0 H CYS A 36 7.349 4.469 -14.255 1.00 0.00 H new ATOM 0 HA CYS A 36 9.337 5.426 -14.020 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.202 6.027 -11.273 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.810 6.552 -11.733 1.00 0.00 H new ATOM 420 N ARG A 37 9.839 3.852 -11.164 1.00 0.00 N ATOM 421 CA ARG A 37 10.722 2.910 -10.486 1.00 0.00 C ATOM 422 C ARG A 37 10.216 2.617 -9.076 1.00 0.00 C ATOM 423 O ARG A 37 10.784 3.088 -8.090 1.00 0.00 O ATOM 424 CB ARG A 37 12.148 3.465 -10.430 1.00 0.00 C ATOM 425 CG ARG A 37 13.069 2.880 -11.491 1.00 0.00 C ATOM 426 CD ARG A 37 14.205 2.076 -10.873 1.00 0.00 C ATOM 427 NE ARG A 37 14.183 0.680 -11.300 1.00 0.00 N ATOM 428 CZ ARG A 37 13.306 -0.218 -10.858 1.00 0.00 C ATOM 429 NH1 ARG A 37 12.374 0.131 -9.980 1.00 0.00 N ATOM 430 NH2 ARG A 37 13.359 -1.469 -11.294 1.00 0.00 N ATOM 0 H ARG A 37 9.158 4.305 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 37 10.729 1.978 -11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.113 4.548 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.569 3.265 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.493 2.240 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.482 3.686 -12.098 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.159 2.525 -11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.134 2.124 -9.786 1.00 0.00 H new ATOM 0 HE ARG A 37 14.882 0.375 -11.978 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.327 1.092 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.704 -0.561 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.073 -1.744 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.686 -2.156 -10.954 1.00 0.00 H new ATOM 444 N PHE A 38 9.143 1.838 -8.990 1.00 0.00 N ATOM 445 CA PHE A 38 8.556 1.483 -7.703 1.00 0.00 C ATOM 446 C PHE A 38 9.100 0.146 -7.206 1.00 0.00 C ATOM 447 O PHE A 38 10.082 -0.373 -7.740 1.00 0.00 O ATOM 448 CB PHE A 38 7.030 1.421 -7.820 1.00 0.00 C ATOM 449 CG PHE A 38 6.326 2.517 -7.070 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.365 2.563 -5.686 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.627 3.500 -7.750 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.718 3.569 -4.994 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.978 4.509 -7.064 1.00 0.00 C ATOM 454 CZ PHE A 38 5.024 4.544 -5.684 1.00 0.00 C ATOM 0 H PHE A 38 8.662 1.440 -9.797 1.00 0.00 H new ATOM 0 HA PHE A 38 8.827 2.252 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.752 1.475 -8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.684 0.457 -7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.907 1.804 -5.142 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.589 3.478 -8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.755 3.593 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.435 5.269 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.518 5.332 -5.146 1.00 0.00 H new ATOM 464 N LEU A 39 8.458 -0.405 -6.182 1.00 0.00 N ATOM 465 CA LEU A 39 8.876 -1.681 -5.611 1.00 0.00 C ATOM 466 C LEU A 39 8.124 -2.839 -6.260 1.00 0.00 C ATOM 467 O LEU A 39 6.995 -3.149 -5.879 1.00 0.00 O ATOM 468 CB LEU A 39 8.640 -1.685 -4.101 1.00 0.00 C ATOM 469 CG LEU A 39 9.558 -2.611 -3.302 1.00 0.00 C ATOM 470 CD1 LEU A 39 11.000 -2.128 -3.375 1.00 0.00 C ATOM 471 CD2 LEU A 39 9.096 -2.696 -1.856 1.00 0.00 C ATOM 0 H LEU A 39 7.645 0.012 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 39 9.941 -1.810 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.762 -0.668 -3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.606 -1.973 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 39 9.509 -3.608 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.638 -2.799 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.328 -2.117 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.068 -1.121 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.759 -3.359 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.117 -1.702 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.079 -3.088 -1.821 1.00 0.00 H new ATOM 483 N THR A 40 8.757 -3.477 -7.240 1.00 0.00 N ATOM 484 CA THR A 40 8.144 -4.602 -7.938 1.00 0.00 C ATOM 485 C THR A 40 7.921 -5.775 -6.992 1.00 0.00 C ATOM 486 O THR A 40 8.576 -5.885 -5.955 1.00 0.00 O ATOM 487 CB THR A 40 9.014 -5.046 -9.117 1.00 0.00 C ATOM 488 OG1 THR A 40 8.618 -6.326 -9.578 1.00 0.00 O ATOM 489 CG2 THR A 40 10.486 -5.122 -8.783 1.00 0.00 C ATOM 0 H THR A 40 9.692 -3.235 -7.568 1.00 0.00 H new ATOM 0 HA THR A 40 7.177 -4.270 -8.316 1.00 0.00 H new ATOM 0 HB THR A 40 8.869 -4.283 -9.882 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.119 -6.551 -10.390 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.043 -5.443 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.839 -4.140 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.639 -5.838 -7.976 1.00 0.00 H new ATOM 497 N ILE A 41 6.994 -6.651 -7.360 1.00 0.00 N ATOM 498 CA ILE A 41 6.681 -7.822 -6.552 1.00 0.00 C ATOM 499 C ILE A 41 7.126 -9.101 -7.256 1.00 0.00 C ATOM 500 O ILE A 41 6.952 -9.245 -8.465 1.00 0.00 O ATOM 501 CB ILE A 41 5.171 -7.904 -6.248 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.689 -6.598 -5.613 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.868 -9.086 -5.337 1.00 0.00 C ATOM 504 CD1 ILE A 41 3.256 -6.252 -5.952 1.00 0.00 C ATOM 0 H ILE A 41 6.445 -6.572 -8.216 1.00 0.00 H new ATOM 0 HA ILE A 41 7.223 -7.722 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 41 4.637 -8.054 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.790 -6.672 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.337 -5.785 -5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.798 -9.125 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.179 -10.010 -5.824 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.410 -8.970 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.984 -5.314 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.153 -6.146 -7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.597 -7.046 -5.601 1.00 0.00 H new ATOM 516 N HIS A 42 7.706 -10.024 -6.495 1.00 0.00 N ATOM 517 CA HIS A 42 8.178 -11.288 -7.054 1.00 0.00 C ATOM 518 C HIS A 42 7.640 -12.476 -6.262 1.00 0.00 C ATOM 519 O HIS A 42 7.372 -12.369 -5.066 1.00 0.00 O ATOM 520 CB HIS A 42 9.707 -11.324 -7.069 1.00 0.00 C ATOM 521 CG HIS A 42 10.277 -12.026 -8.262 1.00 0.00 C ATOM 522 ND1 HIS A 42 10.143 -13.383 -8.471 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.985 -11.553 -9.314 1.00 0.00 C ATOM 524 CE1 HIS A 42 10.744 -13.713 -9.600 1.00 0.00 C ATOM 525 NE2 HIS A 42 11.262 -12.621 -10.132 1.00 0.00 N ATOM 0 H HIS A 42 7.861 -9.922 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 42 7.807 -11.361 -8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.087 -10.303 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.060 -11.818 -6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.278 -10.527 -9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.802 -14.707 -10.017 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.783 -12.578 -11.008 1.00 0.00 H new ATOM 534 N ARG A 43 7.481 -13.609 -6.943 1.00 0.00 N ATOM 535 CA ARG A 43 6.973 -14.825 -6.318 1.00 0.00 C ATOM 536 C ARG A 43 7.638 -15.091 -4.971 1.00 0.00 C ATOM 537 O ARG A 43 8.725 -14.588 -4.686 1.00 0.00 O ATOM 538 CB ARG A 43 7.199 -16.027 -7.239 1.00 0.00 C ATOM 539 CG ARG A 43 5.978 -16.424 -8.051 1.00 0.00 C ATOM 540 CD ARG A 43 4.761 -16.651 -7.168 1.00 0.00 C ATOM 541 NE ARG A 43 4.845 -17.913 -6.436 1.00 0.00 N ATOM 542 CZ ARG A 43 4.047 -18.236 -5.422 1.00 0.00 C ATOM 543 NH1 ARG A 43 3.107 -17.392 -5.014 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.189 -19.406 -4.813 1.00 0.00 N ATOM 0 H ARG A 43 7.699 -13.709 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 43 5.906 -14.681 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.018 -15.799 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.514 -16.879 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.757 -15.644 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.195 -17.333 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.667 -15.827 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.861 -16.647 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 43 5.557 -18.586 -6.719 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.994 -16.491 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.498 -17.645 -4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.910 -20.058 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.577 -19.654 -4.035 1.00 0.00 H new ATOM 558 N GLY A 44 6.972 -15.903 -4.154 1.00 0.00 N ATOM 559 CA GLY A 44 7.496 -16.253 -2.844 1.00 0.00 C ATOM 560 C GLY A 44 8.057 -15.065 -2.083 1.00 0.00 C ATOM 561 O GLY A 44 9.177 -15.119 -1.578 1.00 0.00 O ATOM 0 H GLY A 44 6.072 -16.328 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.702 -16.711 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.279 -17.002 -2.962 1.00 0.00 H new ATOM 565 N GLN A 45 7.277 -13.994 -2.000 1.00 0.00 N ATOM 566 CA GLN A 45 7.707 -12.794 -1.294 1.00 0.00 C ATOM 567 C GLN A 45 6.599 -12.273 -0.386 1.00 0.00 C ATOM 568 O GLN A 45 5.583 -11.762 -0.862 1.00 0.00 O ATOM 569 CB GLN A 45 8.120 -11.710 -2.289 1.00 0.00 C ATOM 570 CG GLN A 45 9.158 -10.744 -1.741 1.00 0.00 C ATOM 571 CD GLN A 45 9.804 -9.905 -2.826 1.00 0.00 C ATOM 572 OE1 GLN A 45 11.007 -9.999 -3.066 1.00 0.00 O ATOM 573 NE2 GLN A 45 9.003 -9.079 -3.490 1.00 0.00 N ATOM 0 H GLN A 45 6.346 -13.932 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 45 8.567 -13.054 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.516 -12.185 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.236 -11.148 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.687 -10.086 -1.010 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.929 -11.306 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.011 -9.034 -3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.380 -8.490 -4.233 1.00 0.00 H new ATOM 582 N VAL A 46 6.799 -12.397 0.922 1.00 0.00 N ATOM 583 CA VAL A 46 5.817 -11.932 1.888 1.00 0.00 C ATOM 584 C VAL A 46 5.757 -10.408 1.899 1.00 0.00 C ATOM 585 O VAL A 46 6.721 -9.739 1.526 1.00 0.00 O ATOM 586 CB VAL A 46 6.134 -12.446 3.304 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.100 -11.951 4.304 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.210 -13.966 3.314 1.00 0.00 C ATOM 0 H VAL A 46 7.633 -12.816 1.335 1.00 0.00 H new ATOM 0 HA VAL A 46 4.848 -12.330 1.586 1.00 0.00 H new ATOM 0 HB VAL A 46 7.106 -12.051 3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.345 -12.327 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.100 -10.861 4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.112 -12.310 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.435 -14.312 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.254 -14.380 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.995 -14.296 2.634 1.00 0.00 H new ATOM 598 N VAL A 47 4.622 -9.866 2.319 1.00 0.00 N ATOM 599 CA VAL A 47 4.431 -8.439 2.371 1.00 0.00 C ATOM 600 C VAL A 47 3.462 -8.054 3.487 1.00 0.00 C ATOM 601 O VAL A 47 2.657 -8.872 3.929 1.00 0.00 O ATOM 602 CB VAL A 47 3.908 -7.887 1.026 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.244 -6.416 0.853 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.443 -8.700 -0.145 1.00 0.00 C ATOM 0 H VAL A 47 3.816 -10.408 2.630 1.00 0.00 H new ATOM 0 HA VAL A 47 5.406 -7.997 2.575 1.00 0.00 H new ATOM 0 HB VAL A 47 2.822 -7.979 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.859 -6.065 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.788 -5.841 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.326 -6.284 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.059 -8.289 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.532 -8.657 -0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.122 -9.737 -0.045 1.00 0.00 H new ATOM 614 N TYR A 48 3.545 -6.806 3.938 1.00 0.00 N ATOM 615 CA TYR A 48 2.674 -6.317 5.002 1.00 0.00 C ATOM 616 C TYR A 48 1.984 -5.019 4.594 1.00 0.00 C ATOM 617 O TYR A 48 2.575 -3.942 4.661 1.00 0.00 O ATOM 618 CB TYR A 48 3.480 -6.097 6.283 1.00 0.00 C ATOM 619 CG TYR A 48 4.288 -7.304 6.703 1.00 0.00 C ATOM 620 CD1 TYR A 48 5.345 -7.761 5.925 1.00 0.00 C ATOM 621 CD2 TYR A 48 3.992 -7.988 7.876 1.00 0.00 C ATOM 622 CE1 TYR A 48 6.084 -8.865 6.305 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.728 -9.092 8.261 1.00 0.00 C ATOM 624 CZ TYR A 48 5.772 -9.526 7.473 1.00 0.00 C ATOM 625 OH TYR A 48 6.506 -10.626 7.853 1.00 0.00 O ATOM 0 H TYR A 48 4.206 -6.115 3.583 1.00 0.00 H new ATOM 0 HA TYR A 48 1.907 -7.070 5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.153 -5.252 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.798 -5.828 7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.593 -7.245 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.174 -7.651 8.496 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.902 -9.208 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.486 -9.613 9.176 1.00 0.00 H new ATOM 0 HH TYR A 48 6.158 -10.975 8.700 1.00 0.00 H new ATOM 635 N VAL A 49 0.728 -5.130 4.173 1.00 0.00 N ATOM 636 CA VAL A 49 -0.046 -3.965 3.758 1.00 0.00 C ATOM 637 C VAL A 49 -0.393 -3.085 4.953 1.00 0.00 C ATOM 638 O VAL A 49 -0.900 -3.569 5.964 1.00 0.00 O ATOM 639 CB VAL A 49 -1.346 -4.379 3.042 1.00 0.00 C ATOM 640 CG1 VAL A 49 -2.055 -3.162 2.468 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.052 -5.399 1.951 1.00 0.00 C ATOM 0 H VAL A 49 0.224 -6.015 4.110 1.00 0.00 H new ATOM 0 HA VAL A 49 0.576 -3.401 3.063 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.009 -4.842 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.970 -3.477 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.302 -2.471 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.402 -2.665 1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.981 -5.680 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.369 -4.964 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.595 -6.284 2.394 1.00 0.00 H new ATOM 651 N PHE A 50 -0.116 -1.791 4.829 1.00 0.00 N ATOM 652 CA PHE A 50 -0.398 -0.843 5.900 1.00 0.00 C ATOM 653 C PHE A 50 -1.698 -0.091 5.638 1.00 0.00 C ATOM 654 O PHE A 50 -2.361 0.365 6.570 1.00 0.00 O ATOM 655 CB PHE A 50 0.756 0.152 6.047 1.00 0.00 C ATOM 656 CG PHE A 50 1.856 -0.336 6.946 1.00 0.00 C ATOM 657 CD1 PHE A 50 2.907 -1.080 6.435 1.00 0.00 C ATOM 658 CD2 PHE A 50 1.838 -0.051 8.302 1.00 0.00 C ATOM 659 CE1 PHE A 50 3.920 -1.530 7.259 1.00 0.00 C ATOM 660 CE2 PHE A 50 2.849 -0.498 9.132 1.00 0.00 C ATOM 661 CZ PHE A 50 3.891 -1.239 8.609 1.00 0.00 C ATOM 0 H PHE A 50 0.303 -1.375 3.997 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.506 -1.407 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.170 0.364 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.367 1.092 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.935 -1.311 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.025 0.527 8.715 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.734 -2.109 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.824 -0.268 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.682 -1.590 9.255 1.00 0.00 H new ATOM 671 N SER A 51 -2.059 0.037 4.364 1.00 0.00 N ATOM 672 CA SER A 51 -3.280 0.737 3.986 1.00 0.00 C ATOM 673 C SER A 51 -3.674 0.416 2.548 1.00 0.00 C ATOM 674 O SER A 51 -2.885 -0.145 1.788 1.00 0.00 O ATOM 675 CB SER A 51 -3.097 2.247 4.151 1.00 0.00 C ATOM 676 OG SER A 51 -1.820 2.659 3.699 1.00 0.00 O ATOM 0 H SER A 51 -1.524 -0.334 3.579 1.00 0.00 H new ATOM 0 HA SER A 51 -4.080 0.398 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.871 2.773 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.220 2.519 5.199 1.00 0.00 H new ATOM 0 HG SER A 51 -1.729 3.628 3.814 1.00 0.00 H new ATOM 682 N LYS A 52 -4.900 0.779 2.184 1.00 0.00 N ATOM 683 CA LYS A 52 -5.403 0.531 0.838 1.00 0.00 C ATOM 684 C LYS A 52 -6.179 1.737 0.318 1.00 0.00 C ATOM 685 O LYS A 52 -7.211 2.111 0.876 1.00 0.00 O ATOM 686 CB LYS A 52 -6.298 -0.709 0.827 1.00 0.00 C ATOM 687 CG LYS A 52 -7.323 -0.727 1.950 1.00 0.00 C ATOM 688 CD LYS A 52 -7.779 -2.142 2.265 1.00 0.00 C ATOM 689 CE LYS A 52 -8.154 -2.292 3.731 1.00 0.00 C ATOM 690 NZ LYS A 52 -8.146 -3.716 4.163 1.00 0.00 N ATOM 0 H LYS A 52 -5.563 1.246 2.803 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.549 0.360 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.818 -0.764 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.673 -1.599 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.893 -0.275 2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.184 -0.120 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.636 -2.397 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.984 -2.845 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.456 -1.723 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.144 -1.868 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.807 -3.842 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.438 -4.321 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.187 -3.981 4.466 1.00 0.00 H new ATOM 704 N LEU A 53 -5.676 2.343 -0.754 1.00 0.00 N ATOM 705 CA LEU A 53 -6.323 3.508 -1.346 1.00 0.00 C ATOM 706 C LEU A 53 -7.340 3.088 -2.403 1.00 0.00 C ATOM 707 O LEU A 53 -6.971 2.682 -3.505 1.00 0.00 O ATOM 708 CB LEU A 53 -5.278 4.436 -1.967 1.00 0.00 C ATOM 709 CG LEU A 53 -5.791 5.827 -2.345 1.00 0.00 C ATOM 710 CD1 LEU A 53 -4.692 6.864 -2.177 1.00 0.00 C ATOM 711 CD2 LEU A 53 -6.319 5.830 -3.772 1.00 0.00 C ATOM 0 H LEU A 53 -4.824 2.046 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.849 4.042 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.451 4.548 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.875 3.959 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.611 6.087 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.075 7.847 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.362 6.879 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.851 6.610 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.680 6.827 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.519 5.550 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.137 5.115 -3.859 1.00 0.00 H new ATOM 723 N LYS A 54 -8.619 3.188 -2.059 1.00 0.00 N ATOM 724 CA LYS A 54 -9.689 2.818 -2.980 1.00 0.00 C ATOM 725 C LYS A 54 -10.216 4.046 -3.723 1.00 0.00 C ATOM 726 O LYS A 54 -9.532 5.066 -3.815 1.00 0.00 O ATOM 727 CB LYS A 54 -10.824 2.123 -2.219 1.00 0.00 C ATOM 728 CG LYS A 54 -11.677 3.069 -1.390 1.00 0.00 C ATOM 729 CD LYS A 54 -12.037 2.462 -0.043 1.00 0.00 C ATOM 730 CE LYS A 54 -13.492 2.721 0.315 1.00 0.00 C ATOM 731 NZ LYS A 54 -13.796 2.336 1.720 1.00 0.00 N ATOM 0 H LYS A 54 -8.941 3.522 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.285 2.125 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.463 1.604 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.398 1.364 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.139 4.005 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.589 3.311 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.853 1.388 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.391 2.880 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.718 3.777 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.137 2.162 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.806 2.103 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.226 1.507 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.568 3.128 2.354 1.00 0.00 H new ATOM 745 N GLY A 55 -11.431 3.944 -4.256 1.00 0.00 N ATOM 746 CA GLY A 55 -12.014 5.054 -4.986 1.00 0.00 C ATOM 747 C GLY A 55 -11.333 5.273 -6.321 1.00 0.00 C ATOM 748 O GLY A 55 -10.548 6.208 -6.480 1.00 0.00 O ATOM 0 H GLY A 55 -12.020 3.114 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.075 4.865 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.939 5.962 -4.387 1.00 0.00 H new ATOM 752 N ARG A 56 -11.625 4.398 -7.278 1.00 0.00 N ATOM 753 CA ARG A 56 -11.027 4.485 -8.606 1.00 0.00 C ATOM 754 C ARG A 56 -9.514 4.291 -8.537 1.00 0.00 C ATOM 755 O ARG A 56 -8.796 4.615 -9.483 1.00 0.00 O ATOM 756 CB ARG A 56 -11.354 5.834 -9.253 1.00 0.00 C ATOM 757 CG ARG A 56 -12.828 6.013 -9.577 1.00 0.00 C ATOM 758 CD ARG A 56 -13.323 4.940 -10.533 1.00 0.00 C ATOM 759 NE ARG A 56 -14.654 5.243 -11.053 1.00 0.00 N ATOM 760 CZ ARG A 56 -15.404 4.372 -11.726 1.00 0.00 C ATOM 761 NH1 ARG A 56 -14.957 3.144 -11.962 1.00 0.00 N ATOM 762 NH2 ARG A 56 -16.603 4.729 -12.163 1.00 0.00 N ATOM 0 H ARG A 56 -12.273 3.619 -7.159 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.449 3.688 -9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.038 6.634 -8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.774 5.938 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -13.411 5.978 -8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.988 6.997 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.623 4.843 -11.363 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.344 3.979 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.031 6.177 -10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.035 2.864 -11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.536 2.481 -12.478 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.951 5.671 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.177 4.062 -12.678 1.00 0.00 H new ATOM 776 N GLY A 57 -9.032 3.761 -7.414 1.00 0.00 N ATOM 777 CA GLY A 57 -7.608 3.536 -7.253 1.00 0.00 C ATOM 778 C GLY A 57 -7.293 2.368 -6.334 1.00 0.00 C ATOM 779 O GLY A 57 -6.160 2.223 -5.875 1.00 0.00 O ATOM 0 H GLY A 57 -9.603 3.485 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.162 3.353 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.145 4.439 -6.855 1.00 0.00 H new ATOM 783 N ARG A 58 -8.293 1.533 -6.063 1.00 0.00 N ATOM 784 CA ARG A 58 -8.112 0.380 -5.196 1.00 0.00 C ATOM 785 C ARG A 58 -7.032 -0.551 -5.741 1.00 0.00 C ATOM 786 O ARG A 58 -6.407 -1.299 -4.989 1.00 0.00 O ATOM 787 CB ARG A 58 -9.433 -0.376 -5.050 1.00 0.00 C ATOM 788 CG ARG A 58 -9.611 -1.033 -3.689 1.00 0.00 C ATOM 789 CD ARG A 58 -9.690 -2.548 -3.801 1.00 0.00 C ATOM 790 NE ARG A 58 -11.050 -3.041 -3.595 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.342 -4.293 -3.251 1.00 0.00 C ATOM 792 NH1 ARG A 58 -10.374 -5.184 -3.074 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.606 -4.657 -3.085 1.00 0.00 N ATOM 0 H ARG A 58 -9.237 1.637 -6.434 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.791 0.735 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.258 0.315 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.492 -1.141 -5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.778 -0.759 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.519 -0.655 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.337 -2.858 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.025 -3.001 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.822 -2.386 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.400 -4.911 -3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.605 -6.142 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.354 -3.978 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.830 -5.617 -2.821 1.00 0.00 H new ATOM 807 N LEU A 59 -6.822 -0.502 -7.053 1.00 0.00 N ATOM 808 CA LEU A 59 -5.828 -1.339 -7.704 1.00 0.00 C ATOM 809 C LEU A 59 -4.415 -1.036 -7.203 1.00 0.00 C ATOM 810 O LEU A 59 -3.491 -1.815 -7.429 1.00 0.00 O ATOM 811 CB LEU A 59 -5.891 -1.150 -9.221 1.00 0.00 C ATOM 812 CG LEU A 59 -5.848 0.305 -9.696 1.00 0.00 C ATOM 813 CD1 LEU A 59 -4.449 0.671 -10.170 1.00 0.00 C ATOM 814 CD2 LEU A 59 -6.864 0.535 -10.804 1.00 0.00 C ATOM 0 H LEU A 59 -7.332 0.113 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.057 -2.375 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.058 -1.689 -9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.807 -1.610 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.105 0.949 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.438 1.709 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.743 0.546 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.163 0.021 -10.997 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.819 1.574 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.638 -0.119 -11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.864 0.314 -10.432 1.00 0.00 H new ATOM 826 N PHE A 60 -4.249 0.097 -6.525 1.00 0.00 N ATOM 827 CA PHE A 60 -2.946 0.486 -6.003 1.00 0.00 C ATOM 828 C PHE A 60 -2.982 0.601 -4.483 1.00 0.00 C ATOM 829 O PHE A 60 -3.261 1.668 -3.936 1.00 0.00 O ATOM 830 CB PHE A 60 -2.499 1.813 -6.623 1.00 0.00 C ATOM 831 CG PHE A 60 -1.200 1.723 -7.373 1.00 0.00 C ATOM 832 CD1 PHE A 60 -0.926 0.634 -8.186 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.251 2.729 -7.265 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.269 0.550 -8.877 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.943 2.650 -7.954 1.00 0.00 C ATOM 836 CZ PHE A 60 1.204 1.559 -8.760 1.00 0.00 C ATOM 0 H PHE A 60 -4.999 0.759 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.227 -0.288 -6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.276 2.167 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.401 2.558 -5.833 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.654 -0.158 -8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.448 3.584 -6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.470 -0.304 -9.507 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.673 3.441 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.138 1.495 -9.298 1.00 0.00 H new ATOM 846 N TRP A 61 -2.694 -0.506 -3.810 1.00 0.00 N ATOM 847 CA TRP A 61 -2.691 -0.536 -2.351 1.00 0.00 C ATOM 848 C TRP A 61 -1.367 -0.017 -1.804 1.00 0.00 C ATOM 849 O TRP A 61 -0.495 0.402 -2.563 1.00 0.00 O ATOM 850 CB TRP A 61 -2.941 -1.957 -1.842 1.00 0.00 C ATOM 851 CG TRP A 61 -4.393 -2.282 -1.673 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.442 -1.709 -2.329 1.00 0.00 C ATOM 853 CD2 TRP A 61 -4.956 -3.259 -0.791 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.622 -2.266 -1.910 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.352 -3.221 -0.965 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.417 -4.162 0.131 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.215 -4.052 -0.254 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.275 -4.986 0.836 1.00 0.00 C ATOM 859 CH2 TRP A 61 -6.660 -4.926 0.640 1.00 0.00 C ATOM 0 H TRP A 61 -2.459 -1.396 -4.250 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.494 0.112 -1.999 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.496 -2.668 -2.538 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.434 -2.087 -0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.356 -0.929 -3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.550 -2.011 -2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.350 -4.215 0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.284 -4.008 -0.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.870 -5.688 1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -7.303 -5.583 1.206 1.00 0.00 H new ATOM 870 N GLY A 62 -1.227 -0.049 -0.485 1.00 0.00 N ATOM 871 CA GLY A 62 -0.005 0.419 0.146 1.00 0.00 C ATOM 872 C GLY A 62 0.501 -0.541 1.203 1.00 0.00 C ATOM 873 O GLY A 62 -0.206 -0.839 2.167 1.00 0.00 O ATOM 0 H GLY A 62 -1.938 -0.391 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.764 0.557 -0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.183 1.394 0.600 1.00 0.00 H new ATOM 877 N GLY A 63 1.723 -1.031 1.024 1.00 0.00 N ATOM 878 CA GLY A 63 2.293 -1.961 1.982 1.00 0.00 C ATOM 879 C GLY A 63 3.808 -1.975 1.963 1.00 0.00 C ATOM 880 O GLY A 63 4.444 -0.990 1.588 1.00 0.00 O ATOM 0 H GLY A 63 2.328 -0.802 0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.950 -1.699 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.923 -2.964 1.771 1.00 0.00 H new ATOM 884 N SER A 64 4.385 -3.101 2.372 1.00 0.00 N ATOM 885 CA SER A 64 5.835 -3.258 2.409 1.00 0.00 C ATOM 886 C SER A 64 6.202 -4.735 2.362 1.00 0.00 C ATOM 887 O SER A 64 5.603 -5.549 3.060 1.00 0.00 O ATOM 888 CB SER A 64 6.410 -2.615 3.672 1.00 0.00 C ATOM 889 OG SER A 64 5.421 -2.503 4.681 1.00 0.00 O ATOM 0 H SER A 64 3.867 -3.922 2.684 1.00 0.00 H new ATOM 0 HA SER A 64 6.261 -2.758 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.244 -3.212 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.805 -1.627 3.434 1.00 0.00 H new ATOM 0 HG SER A 64 5.528 -3.233 5.326 1.00 0.00 H new ATOM 895 N VAL A 65 7.185 -5.084 1.541 1.00 0.00 N ATOM 896 CA VAL A 65 7.605 -6.456 1.418 1.00 0.00 C ATOM 897 C VAL A 65 8.441 -6.876 2.603 1.00 0.00 C ATOM 898 O VAL A 65 9.159 -6.080 3.208 1.00 0.00 O ATOM 899 CB VAL A 65 8.402 -6.730 0.125 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.613 -7.633 -0.810 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.803 -5.443 -0.586 1.00 0.00 C ATOM 0 H VAL A 65 7.701 -4.428 0.954 1.00 0.00 H new ATOM 0 HA VAL A 65 6.687 -7.042 1.380 1.00 0.00 H new ATOM 0 HB VAL A 65 9.321 -7.240 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.192 -7.814 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.409 -8.582 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.671 -7.151 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.362 -5.686 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.908 -4.880 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.426 -4.841 0.075 1.00 0.00 H new ATOM 911 N GLN A 66 8.331 -8.144 2.911 1.00 0.00 N ATOM 912 CA GLN A 66 9.064 -8.743 4.022 1.00 0.00 C ATOM 913 C GLN A 66 10.565 -8.512 3.875 1.00 0.00 C ATOM 914 O GLN A 66 11.106 -8.569 2.770 1.00 0.00 O ATOM 915 CB GLN A 66 8.775 -10.242 4.101 1.00 0.00 C ATOM 916 CG GLN A 66 9.199 -11.008 2.859 1.00 0.00 C ATOM 917 CD GLN A 66 9.835 -12.344 3.186 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.571 -12.929 4.237 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.678 -12.835 2.286 1.00 0.00 N ATOM 0 H GLN A 66 7.734 -8.798 2.405 1.00 0.00 H new ATOM 0 HA GLN A 66 8.730 -8.265 4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.289 -10.658 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.707 -10.390 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.329 -11.170 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.904 -10.404 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.868 -12.316 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.136 -13.731 2.452 1.00 0.00 H new ATOM 928 N GLY A 67 11.233 -8.253 4.994 1.00 0.00 N ATOM 929 CA GLY A 67 12.665 -8.018 4.966 1.00 0.00 C ATOM 930 C GLY A 67 13.370 -8.582 6.184 1.00 0.00 C ATOM 931 O GLY A 67 13.715 -7.842 7.105 1.00 0.00 O ATOM 0 H GLY A 67 10.808 -8.202 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.086 -8.467 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.853 -6.946 4.905 1.00 0.00 H new ATOM 935 N ASP A 68 13.584 -9.893 6.188 1.00 0.00 N ATOM 936 CA ASP A 68 14.253 -10.556 7.301 1.00 0.00 C ATOM 937 C ASP A 68 15.520 -11.264 6.829 1.00 0.00 C ATOM 938 O ASP A 68 16.557 -11.208 7.490 1.00 0.00 O ATOM 939 CB ASP A 68 13.309 -11.561 7.966 1.00 0.00 C ATOM 940 CG ASP A 68 12.768 -11.056 9.290 1.00 0.00 C ATOM 941 OD1 ASP A 68 12.288 -9.904 9.335 1.00 0.00 O ATOM 942 OD2 ASP A 68 12.824 -11.813 10.282 1.00 0.00 O ATOM 0 H ASP A 68 13.304 -10.518 5.432 1.00 0.00 H new ATOM 0 HA ASP A 68 14.533 -9.796 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.478 -11.774 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.838 -12.501 8.127 1.00 0.00 H new ATOM 947 N TYR A 69 15.429 -11.930 5.682 1.00 0.00 N ATOM 948 CA TYR A 69 16.568 -12.648 5.122 1.00 0.00 C ATOM 949 C TYR A 69 17.436 -11.720 4.280 1.00 0.00 C ATOM 950 O TYR A 69 16.940 -10.776 3.665 1.00 0.00 O ATOM 951 CB TYR A 69 16.087 -13.826 4.271 1.00 0.00 C ATOM 952 CG TYR A 69 15.599 -15.004 5.086 1.00 0.00 C ATOM 953 CD1 TYR A 69 14.496 -14.885 5.921 1.00 0.00 C ATOM 954 CD2 TYR A 69 16.243 -16.233 5.019 1.00 0.00 C ATOM 955 CE1 TYR A 69 14.047 -15.958 6.667 1.00 0.00 C ATOM 956 CE2 TYR A 69 15.800 -17.312 5.762 1.00 0.00 C ATOM 957 CZ TYR A 69 14.702 -17.169 6.584 1.00 0.00 C ATOM 958 OH TYR A 69 14.258 -18.240 7.324 1.00 0.00 O ATOM 0 H TYR A 69 14.578 -11.987 5.122 1.00 0.00 H new ATOM 0 HA TYR A 69 17.169 -13.027 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 69 15.282 -13.487 3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.902 -14.154 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.981 -13.938 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 69 17.103 -16.348 4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.188 -15.849 7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.311 -18.261 5.699 1.00 0.00 H new ATOM 0 HH TYR A 69 14.829 -19.017 7.150 1.00 0.00 H new ATOM 968 N TYR A 70 18.737 -11.994 4.256 1.00 0.00 N ATOM 969 CA TYR A 70 19.675 -11.184 3.488 1.00 0.00 C ATOM 970 C TYR A 70 19.666 -9.736 3.970 1.00 0.00 C ATOM 971 O TYR A 70 18.885 -9.369 4.847 1.00 0.00 O ATOM 972 CB TYR A 70 19.331 -11.240 1.999 1.00 0.00 C ATOM 973 CG TYR A 70 19.744 -12.532 1.330 1.00 0.00 C ATOM 974 CD1 TYR A 70 19.244 -13.752 1.765 1.00 0.00 C ATOM 975 CD2 TYR A 70 20.633 -12.529 0.263 1.00 0.00 C ATOM 976 CE1 TYR A 70 19.620 -14.935 1.156 1.00 0.00 C ATOM 977 CE2 TYR A 70 21.013 -13.708 -0.352 1.00 0.00 C ATOM 978 CZ TYR A 70 20.504 -14.907 0.098 1.00 0.00 C ATOM 979 OH TYR A 70 20.880 -16.082 -0.510 1.00 0.00 O ATOM 0 H TYR A 70 19.165 -12.771 4.760 1.00 0.00 H new ATOM 0 HA TYR A 70 20.675 -11.592 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 70 18.256 -11.105 1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.816 -10.406 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 70 18.550 -13.777 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 70 21.034 -11.591 -0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 70 19.223 -15.876 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 70 21.705 -13.689 -1.181 1.00 0.00 H new ATOM 0 HH TYR A 70 21.506 -15.888 -1.238 1.00 0.00 H new ATOM 989 N GLY A 71 20.538 -8.919 3.388 1.00 0.00 N ATOM 990 CA GLY A 71 20.613 -7.522 3.769 1.00 0.00 C ATOM 991 C GLY A 71 19.425 -6.720 3.276 1.00 0.00 C ATOM 992 O GLY A 71 19.084 -6.767 2.094 1.00 0.00 O ATOM 0 H GLY A 71 21.194 -9.200 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.672 -7.448 4.855 1.00 0.00 H new ATOM 0 HA3 GLY A 71 21.530 -7.089 3.370 1.00 0.00 H new ATOM 996 N ASP A 72 18.794 -5.981 4.183 1.00 0.00 N ATOM 997 CA ASP A 72 17.637 -5.164 3.837 1.00 0.00 C ATOM 998 C ASP A 72 17.110 -4.427 5.062 1.00 0.00 C ATOM 999 O ASP A 72 15.963 -4.611 5.470 1.00 0.00 O ATOM 1000 CB ASP A 72 16.531 -6.030 3.229 1.00 0.00 C ATOM 1001 CG ASP A 72 15.781 -5.318 2.120 1.00 0.00 C ATOM 1002 OD1 ASP A 72 16.439 -4.665 1.283 1.00 0.00 O ATOM 1003 OD2 ASP A 72 14.536 -5.414 2.089 1.00 0.00 O ATOM 0 H ASP A 72 19.065 -5.931 5.165 1.00 0.00 H new ATOM 0 HA ASP A 72 17.952 -4.427 3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 72 16.967 -6.949 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 72 15.829 -6.319 4.011 1.00 0.00 H new ATOM 1008 N LEU A 73 17.961 -3.592 5.645 1.00 0.00 N ATOM 1009 CA LEU A 73 17.592 -2.821 6.825 1.00 0.00 C ATOM 1010 C LEU A 73 16.741 -1.614 6.443 1.00 0.00 C ATOM 1011 O LEU A 73 16.977 -0.975 5.417 1.00 0.00 O ATOM 1012 CB LEU A 73 18.845 -2.357 7.572 1.00 0.00 C ATOM 1013 CG LEU A 73 19.902 -1.674 6.701 1.00 0.00 C ATOM 1014 CD1 LEU A 73 20.463 -0.447 7.403 1.00 0.00 C ATOM 1015 CD2 LEU A 73 21.018 -2.648 6.353 1.00 0.00 C ATOM 0 H LEU A 73 18.914 -3.431 5.319 1.00 0.00 H new ATOM 0 HA LEU A 73 17.005 -3.466 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.545 -1.667 8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.300 -3.220 8.059 1.00 0.00 H new ATOM 0 HG LEU A 73 19.427 -1.351 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.213 0.025 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 19.657 0.260 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.922 -0.745 8.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.760 -2.145 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.490 -3.003 7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.604 -3.496 5.807 1.00 0.00 H new ATOM 1027 N ALA A 74 15.750 -1.307 7.273 1.00 0.00 N ATOM 1028 CA ALA A 74 14.864 -0.177 7.022 1.00 0.00 C ATOM 1029 C ALA A 74 14.128 -0.341 5.698 1.00 0.00 C ATOM 1030 O ALA A 74 14.518 0.237 4.684 1.00 0.00 O ATOM 1031 CB ALA A 74 15.653 1.124 7.033 1.00 0.00 C ATOM 0 H ALA A 74 15.540 -1.826 8.126 1.00 0.00 H new ATOM 0 HA ALA A 74 14.121 -0.145 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.979 1.960 6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.128 1.253 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.418 1.092 6.257 1.00 0.00 H new ATOM 1037 N ALA A 75 13.061 -1.133 5.713 1.00 0.00 N ATOM 1038 CA ALA A 75 12.270 -1.374 4.513 1.00 0.00 C ATOM 1039 C ALA A 75 11.577 -0.098 4.048 1.00 0.00 C ATOM 1040 O ALA A 75 11.451 0.864 4.805 1.00 0.00 O ATOM 1041 CB ALA A 75 11.248 -2.470 4.766 1.00 0.00 C ATOM 0 H ALA A 75 12.724 -1.619 6.544 1.00 0.00 H new ATOM 0 HA ALA A 75 12.945 -1.699 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.664 -2.639 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.762 -3.390 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.583 -2.168 5.575 1.00 0.00 H new ATOM 1047 N ARG A 76 11.129 -0.097 2.796 1.00 0.00 N ATOM 1048 CA ARG A 76 10.447 1.060 2.228 1.00 0.00 C ATOM 1049 C ARG A 76 9.033 0.697 1.793 1.00 0.00 C ATOM 1050 O ARG A 76 8.834 -0.213 0.989 1.00 0.00 O ATOM 1051 CB ARG A 76 11.234 1.609 1.037 1.00 0.00 C ATOM 1052 CG ARG A 76 11.179 3.122 0.915 1.00 0.00 C ATOM 1053 CD ARG A 76 11.403 3.576 -0.519 1.00 0.00 C ATOM 1054 NE ARG A 76 10.496 4.657 -0.898 1.00 0.00 N ATOM 1055 CZ ARG A 76 10.665 5.927 -0.540 1.00 0.00 C ATOM 1056 NH1 ARG A 76 11.703 6.281 0.207 1.00 0.00 N ATOM 1057 NH2 ARG A 76 9.792 6.846 -0.930 1.00 0.00 N ATOM 0 H ARG A 76 11.226 -0.885 2.156 1.00 0.00 H new ATOM 0 HA ARG A 76 10.385 1.828 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.275 1.298 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.846 1.165 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.211 3.481 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.936 3.568 1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.434 3.909 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.262 2.731 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 76 9.685 4.424 -1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.377 5.578 0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.827 7.256 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.992 6.579 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.920 7.820 -0.656 1.00 0.00 H new ATOM 1071 N LEU A 77 8.052 1.412 2.331 1.00 0.00 N ATOM 1072 CA LEU A 77 6.654 1.164 1.998 1.00 0.00 C ATOM 1073 C LEU A 77 6.359 1.567 0.557 1.00 0.00 C ATOM 1074 O LEU A 77 6.634 2.695 0.148 1.00 0.00 O ATOM 1075 CB LEU A 77 5.736 1.928 2.957 1.00 0.00 C ATOM 1076 CG LEU A 77 4.798 1.048 3.791 1.00 0.00 C ATOM 1077 CD1 LEU A 77 5.080 1.222 5.275 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.343 1.373 3.481 1.00 0.00 C ATOM 0 H LEU A 77 8.199 2.168 3.000 1.00 0.00 H new ATOM 0 HA LEU A 77 6.464 0.096 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.353 2.519 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.134 2.630 2.379 1.00 0.00 H new ATOM 0 HG LEU A 77 4.981 0.006 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.404 0.589 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.111 0.937 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.927 2.264 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.692 0.738 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.146 2.419 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.148 1.194 2.424 1.00 0.00 H new ATOM 1090 N GLY A 78 5.793 0.639 -0.206 1.00 0.00 N ATOM 1091 CA GLY A 78 5.465 0.913 -1.592 1.00 0.00 C ATOM 1092 C GLY A 78 3.989 0.727 -1.883 1.00 0.00 C ATOM 1093 O GLY A 78 3.228 0.306 -1.012 1.00 0.00 O ATOM 0 H GLY A 78 5.555 -0.301 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.755 1.935 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.046 0.254 -2.237 1.00 0.00 H new ATOM 1097 N TYR A 79 3.584 1.042 -3.108 1.00 0.00 N ATOM 1098 CA TYR A 79 2.188 0.904 -3.508 1.00 0.00 C ATOM 1099 C TYR A 79 2.043 -0.143 -4.607 1.00 0.00 C ATOM 1100 O TYR A 79 2.749 -0.101 -5.614 1.00 0.00 O ATOM 1101 CB TYR A 79 1.638 2.251 -3.982 1.00 0.00 C ATOM 1102 CG TYR A 79 1.605 3.304 -2.897 1.00 0.00 C ATOM 1103 CD1 TYR A 79 0.602 3.307 -1.936 1.00 0.00 C ATOM 1104 CD2 TYR A 79 2.578 4.293 -2.832 1.00 0.00 C ATOM 1105 CE1 TYR A 79 0.570 4.265 -0.940 1.00 0.00 C ATOM 1106 CE2 TYR A 79 2.552 5.255 -1.840 1.00 0.00 C ATOM 1107 CZ TYR A 79 1.547 5.237 -0.898 1.00 0.00 C ATOM 1108 OH TYR A 79 1.519 6.191 0.093 1.00 0.00 O ATOM 0 H TYR A 79 4.201 1.394 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 79 1.613 0.574 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.248 2.613 -4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.629 2.107 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.166 2.548 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.368 4.311 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.216 4.252 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.316 6.017 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 79 1.969 7.003 -0.221 1.00 0.00 H new ATOM 1118 N PHE A 80 1.132 -1.091 -4.401 1.00 0.00 N ATOM 1119 CA PHE A 80 0.912 -2.157 -5.373 1.00 0.00 C ATOM 1120 C PHE A 80 -0.464 -2.797 -5.199 1.00 0.00 C ATOM 1121 O PHE A 80 -1.053 -2.737 -4.122 1.00 0.00 O ATOM 1122 CB PHE A 80 1.995 -3.224 -5.214 1.00 0.00 C ATOM 1123 CG PHE A 80 1.989 -3.865 -3.856 1.00 0.00 C ATOM 1124 CD1 PHE A 80 0.982 -4.746 -3.498 1.00 0.00 C ATOM 1125 CD2 PHE A 80 2.983 -3.578 -2.934 1.00 0.00 C ATOM 1126 CE1 PHE A 80 0.965 -5.331 -2.248 1.00 0.00 C ATOM 1127 CE2 PHE A 80 2.970 -4.160 -1.679 1.00 0.00 C ATOM 1128 CZ PHE A 80 1.959 -5.037 -1.338 1.00 0.00 C ATOM 0 H PHE A 80 0.537 -1.142 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 80 0.959 -1.721 -6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.855 -3.993 -5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.971 -2.773 -5.393 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.200 -4.978 -4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.776 -2.893 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.175 -6.018 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.749 -3.929 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.947 -5.493 -0.359 1.00 0.00 H new ATOM 1138 N PRO A 81 -0.988 -3.434 -6.263 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.294 -4.102 -6.223 1.00 0.00 C ATOM 1140 C PRO A 81 -2.294 -5.303 -5.282 1.00 0.00 C ATOM 1141 O PRO A 81 -1.358 -6.101 -5.280 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.510 -4.563 -7.669 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.142 -4.644 -8.252 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.345 -3.560 -7.584 1.00 0.00 C ATOM 0 HA PRO A 81 -3.077 -3.440 -5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.013 -5.529 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.133 -3.859 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.698 -5.623 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.169 -4.500 -9.332 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.707 -3.830 -7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.388 -2.626 -8.144 1.00 0.00 H new ATOM 1152 N SER A 82 -3.348 -5.427 -4.484 1.00 0.00 N ATOM 1153 CA SER A 82 -3.464 -6.533 -3.539 1.00 0.00 C ATOM 1154 C SER A 82 -3.729 -7.850 -4.263 1.00 0.00 C ATOM 1155 O SER A 82 -3.324 -8.916 -3.802 1.00 0.00 O ATOM 1156 CB SER A 82 -4.585 -6.258 -2.537 1.00 0.00 C ATOM 1157 OG SER A 82 -5.853 -6.573 -3.089 1.00 0.00 O ATOM 0 H SER A 82 -4.134 -4.777 -4.472 1.00 0.00 H new ATOM 0 HA SER A 82 -2.517 -6.619 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.422 -6.846 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.564 -5.209 -2.242 1.00 0.00 H new ATOM 0 HG SER A 82 -6.552 -6.390 -2.427 1.00 0.00 H new ATOM 1163 N SER A 83 -4.419 -7.767 -5.396 1.00 0.00 N ATOM 1164 CA SER A 83 -4.750 -8.947 -6.186 1.00 0.00 C ATOM 1165 C SER A 83 -3.508 -9.772 -6.515 1.00 0.00 C ATOM 1166 O SER A 83 -3.587 -10.991 -6.669 1.00 0.00 O ATOM 1167 CB SER A 83 -5.456 -8.534 -7.479 1.00 0.00 C ATOM 1168 OG SER A 83 -4.949 -7.304 -7.966 1.00 0.00 O ATOM 0 H SER A 83 -4.761 -6.890 -5.789 1.00 0.00 H new ATOM 0 HA SER A 83 -5.417 -9.568 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.323 -9.310 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.527 -8.444 -7.299 1.00 0.00 H new ATOM 0 HG SER A 83 -5.415 -7.063 -8.794 1.00 0.00 H new ATOM 1174 N ILE A 84 -2.365 -9.104 -6.633 1.00 0.00 N ATOM 1175 CA ILE A 84 -1.116 -9.785 -6.956 1.00 0.00 C ATOM 1176 C ILE A 84 -0.609 -10.614 -5.779 1.00 0.00 C ATOM 1177 O ILE A 84 0.061 -11.630 -5.968 1.00 0.00 O ATOM 1178 CB ILE A 84 -0.021 -8.787 -7.387 1.00 0.00 C ATOM 1179 CG1 ILE A 84 1.165 -9.537 -7.996 1.00 0.00 C ATOM 1180 CG2 ILE A 84 0.431 -7.935 -6.207 1.00 0.00 C ATOM 1181 CD1 ILE A 84 0.916 -10.007 -9.413 1.00 0.00 C ATOM 0 H ILE A 84 -2.278 -8.095 -6.510 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.333 -10.452 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.438 -8.121 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.040 -8.887 -7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.400 -10.399 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.203 -7.239 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.419 -7.376 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.832 -8.580 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.797 -10.531 -9.783 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.060 -10.682 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.711 -9.147 -10.051 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.926 -10.176 -4.566 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.498 -10.881 -3.362 1.00 0.00 C ATOM 1195 C VAL A 85 -1.679 -11.567 -2.680 1.00 0.00 C ATOM 1196 O VAL A 85 -2.829 -11.165 -2.856 1.00 0.00 O ATOM 1197 CB VAL A 85 0.170 -9.923 -2.357 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.459 -9.356 -2.933 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.785 -8.804 -1.968 1.00 0.00 C ATOM 0 H VAL A 85 -1.478 -9.336 -4.389 1.00 0.00 H new ATOM 0 HA VAL A 85 0.227 -11.632 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 85 0.418 -10.487 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.916 -8.682 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.148 -10.171 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.238 -8.808 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.295 -8.138 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.068 -8.241 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.677 -9.230 -1.510 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.385 -12.599 -1.898 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.420 -13.339 -1.185 1.00 0.00 C ATOM 1211 C ARG A 86 -2.293 -13.126 0.319 1.00 0.00 C ATOM 1212 O ARG A 86 -1.327 -13.571 0.940 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.327 -14.831 -1.510 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.473 -15.648 -0.939 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.878 -16.774 -1.877 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.803 -16.317 -2.911 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.574 -17.131 -3.629 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -5.532 -18.443 -3.430 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.389 -16.632 -4.548 1.00 0.00 N ATOM 0 H ARG A 86 -0.438 -12.943 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.391 -12.966 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.304 -14.958 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.385 -15.221 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.179 -16.064 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.329 -14.998 -0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.988 -17.193 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.343 -17.575 -1.303 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.862 -15.315 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.907 -18.832 -2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.125 -19.062 -3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.425 -15.625 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.980 -17.255 -5.098 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.273 -12.442 0.900 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.267 -12.168 2.331 1.00 0.00 C ATOM 1235 C GLU A 87 -3.525 -13.437 3.132 1.00 0.00 C ATOM 1236 O GLU A 87 -4.541 -14.107 2.948 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.320 -11.113 2.674 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.743 -11.554 2.375 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.759 -10.455 2.615 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -6.781 -9.900 3.735 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -7.533 -10.149 1.684 1.00 0.00 O ATOM 0 H GLU A 87 -4.081 -12.068 0.402 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.280 -11.788 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.241 -10.863 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.106 -10.202 2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.807 -11.882 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.991 -12.414 2.997 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.599 -13.758 4.028 1.00 0.00 N ATOM 1249 CA ASP A 88 -2.723 -14.942 4.867 1.00 0.00 C ATOM 1250 C ASP A 88 -2.963 -14.550 6.315 1.00 0.00 C ATOM 1251 O ASP A 88 -3.876 -15.056 6.970 1.00 0.00 O ATOM 1252 CB ASP A 88 -1.466 -15.807 4.758 1.00 0.00 C ATOM 1253 CG ASP A 88 -1.780 -17.289 4.787 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -2.847 -17.660 5.322 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -0.961 -18.080 4.275 1.00 0.00 O ATOM 0 H ASP A 88 -1.753 -13.213 4.192 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.579 -15.520 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.943 -15.567 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.790 -15.566 5.578 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.134 -13.646 6.803 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.228 -13.167 8.165 1.00 0.00 C ATOM 1262 C GLN A 89 -2.870 -11.787 8.199 1.00 0.00 C ATOM 1263 O GLN A 89 -2.745 -11.015 7.249 1.00 0.00 O ATOM 1264 CB GLN A 89 -0.829 -13.110 8.754 1.00 0.00 C ATOM 1265 CG GLN A 89 -0.803 -13.020 10.272 1.00 0.00 C ATOM 1266 CD GLN A 89 -0.129 -14.216 10.916 1.00 0.00 C ATOM 1267 OE1 GLN A 89 0.790 -14.807 10.348 1.00 0.00 O ATOM 1268 NE2 GLN A 89 -0.584 -14.580 12.109 1.00 0.00 N ATOM 0 H GLN A 89 -1.377 -13.225 6.264 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.850 -13.843 8.751 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.278 -13.997 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.306 -12.248 8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.282 -12.110 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.824 -12.939 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.348 -14.062 12.543 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.170 -15.378 12.591 1.00 0.00 H new ATOM 1277 N THR A 90 -3.558 -11.477 9.291 1.00 0.00 N ATOM 1278 CA THR A 90 -4.212 -10.183 9.420 1.00 0.00 C ATOM 1279 C THR A 90 -4.036 -9.599 10.813 1.00 0.00 C ATOM 1280 O THR A 90 -3.936 -10.323 11.803 1.00 0.00 O ATOM 1281 CB THR A 90 -5.696 -10.290 9.087 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.281 -11.406 9.735 1.00 0.00 O ATOM 1283 CG2 THR A 90 -5.972 -10.418 7.606 1.00 0.00 C ATOM 0 H THR A 90 -3.676 -12.097 10.092 1.00 0.00 H new ATOM 0 HA THR A 90 -3.734 -9.510 8.708 1.00 0.00 H new ATOM 0 HB THR A 90 -6.135 -9.357 9.440 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.233 -11.454 9.508 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.047 -10.490 7.441 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.583 -9.542 7.086 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.485 -11.314 7.221 1.00 0.00 H new ATOM 1291 N LEU A 91 -4.005 -8.275 10.869 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.848 -7.553 12.124 1.00 0.00 C ATOM 1293 C LEU A 91 -4.512 -6.183 12.027 1.00 0.00 C ATOM 1294 O LEU A 91 -4.103 -5.233 12.695 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.363 -7.396 12.454 1.00 0.00 C ATOM 1296 CG LEU A 91 -2.063 -6.789 13.828 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -1.538 -7.852 14.781 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -1.065 -5.646 13.702 1.00 0.00 C ATOM 0 H LEU A 91 -4.088 -7.673 10.050 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.329 -8.120 12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.888 -8.375 12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.901 -6.771 11.689 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.992 -6.391 14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.331 -7.401 15.751 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.285 -8.637 14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.621 -8.281 14.378 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.865 -5.228 14.688 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.136 -6.020 13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.479 -4.871 13.057 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.534 -6.091 11.177 1.00 0.00 N ATOM 1311 CA LYS A 92 -6.257 -4.840 10.964 1.00 0.00 C ATOM 1312 C LYS A 92 -6.692 -4.198 12.282 1.00 0.00 C ATOM 1313 O LYS A 92 -7.651 -4.643 12.912 1.00 0.00 O ATOM 1314 CB LYS A 92 -7.486 -5.092 10.085 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.321 -4.600 8.659 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.101 -5.460 7.679 1.00 0.00 C ATOM 1317 CE LYS A 92 -7.258 -6.613 7.158 1.00 0.00 C ATOM 1318 NZ LYS A 92 -7.852 -7.229 5.940 1.00 0.00 N ATOM 0 H LYS A 92 -5.881 -6.874 10.622 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.577 -4.149 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.699 -6.161 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -8.350 -4.601 10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.661 -3.567 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.265 -4.608 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.994 -5.852 8.167 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.438 -4.847 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.254 -6.255 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.158 -7.370 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.247 -8.011 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.800 -7.594 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.924 -6.513 5.189 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.998 -3.126 12.708 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.321 -2.413 13.937 1.00 0.00 C ATOM 1334 C PRO A 93 -7.334 -1.293 13.701 1.00 0.00 C ATOM 1335 O PRO A 93 -8.331 -1.181 14.415 1.00 0.00 O ATOM 1336 CB PRO A 93 -4.968 -1.845 14.352 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.233 -1.610 13.070 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.844 -2.518 12.025 1.00 0.00 C ATOM 0 HA PRO A 93 -6.784 -3.052 14.689 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.085 -0.919 14.914 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.428 -2.541 14.994 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.315 -0.566 12.767 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.171 -1.825 13.191 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.153 -1.958 11.142 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.135 -3.275 11.691 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.075 -0.473 12.683 1.00 0.00 N ATOM 1347 CA GLY A 94 -7.968 0.622 12.352 1.00 0.00 C ATOM 1348 C GLY A 94 -8.266 0.672 10.866 1.00 0.00 C ATOM 1349 O GLY A 94 -7.553 0.068 10.066 1.00 0.00 O ATOM 0 H GLY A 94 -6.256 -0.550 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.900 0.512 12.907 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.520 1.565 12.665 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.315 1.395 10.488 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.686 1.515 9.094 1.00 0.00 C ATOM 1355 C LYS A 95 -10.381 2.844 8.826 1.00 0.00 C ATOM 1356 O LYS A 95 -11.442 2.887 8.202 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.585 0.351 8.675 1.00 0.00 C ATOM 1358 CG LYS A 95 -11.698 0.054 9.667 1.00 0.00 C ATOM 1359 CD LYS A 95 -12.476 -1.190 9.275 1.00 0.00 C ATOM 1360 CE LYS A 95 -13.214 -1.783 10.466 1.00 0.00 C ATOM 1361 NZ LYS A 95 -14.216 -0.835 11.031 1.00 0.00 N ATOM 0 H LYS A 95 -9.920 1.905 11.132 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.773 1.482 8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.026 0.575 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.973 -0.543 8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.274 -0.080 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.376 0.906 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.190 -0.942 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.793 -1.933 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.716 -2.701 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.495 -2.054 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.743 -1.302 11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.728 0.002 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.878 -0.543 10.284 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.777 3.926 9.294 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.339 5.254 9.098 1.00 0.00 C ATOM 1377 C VAL A 96 -9.876 5.833 7.771 1.00 0.00 C ATOM 1378 O VAL A 96 -8.717 5.688 7.388 1.00 0.00 O ATOM 1379 CB VAL A 96 -9.950 6.218 10.232 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -10.807 7.473 10.182 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -10.073 5.533 11.584 1.00 0.00 C ATOM 0 H VAL A 96 -8.898 3.911 9.812 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.424 5.145 9.099 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.909 6.510 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.518 8.143 10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.662 7.975 9.226 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.857 7.201 10.293 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.793 6.232 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.102 5.208 11.735 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.411 4.667 11.615 1.00 0.00 H new ATOM 1391 N ASP A 97 -10.791 6.483 7.073 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.485 7.075 5.784 1.00 0.00 C ATOM 1393 C ASP A 97 -9.626 8.320 5.939 1.00 0.00 C ATOM 1394 O ASP A 97 -9.710 9.035 6.938 1.00 0.00 O ATOM 1395 CB ASP A 97 -11.774 7.417 5.034 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.518 7.808 3.592 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.034 8.936 3.359 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.801 6.986 2.695 1.00 0.00 O ATOM 0 H ASP A 97 -11.755 6.614 7.379 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.921 6.342 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.445 6.559 5.061 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.282 8.235 5.545 1.00 0.00 H new ATOM 1403 N VAL A 98 -8.798 8.563 4.937 1.00 0.00 N ATOM 1404 CA VAL A 98 -7.904 9.712 4.929 1.00 0.00 C ATOM 1405 C VAL A 98 -7.737 10.253 3.515 1.00 0.00 C ATOM 1406 O VAL A 98 -7.109 9.619 2.667 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.519 9.347 5.496 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.716 10.603 5.801 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.660 8.481 6.738 1.00 0.00 C ATOM 0 H VAL A 98 -8.725 7.973 4.108 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.354 10.477 5.562 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.980 8.774 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.741 10.324 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.581 11.180 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.250 11.207 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.671 8.234 7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.221 9.024 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.190 7.563 6.483 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.306 11.427 3.263 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.222 12.047 1.946 1.00 0.00 C ATOM 1421 C LYS A 99 -6.772 12.322 1.562 1.00 0.00 C ATOM 1422 O LYS A 99 -5.983 12.800 2.378 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.027 13.349 1.923 1.00 0.00 C ATOM 1424 CG LYS A 99 -9.798 13.565 0.631 1.00 0.00 C ATOM 1425 CD LYS A 99 -9.142 14.622 -0.243 1.00 0.00 C ATOM 1426 CE LYS A 99 -9.998 14.951 -1.455 1.00 0.00 C ATOM 1427 NZ LYS A 99 -10.507 13.723 -2.126 1.00 0.00 N ATOM 0 H LYS A 99 -8.829 11.967 3.952 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.643 11.354 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.727 13.348 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.349 14.188 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.860 12.625 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.820 13.866 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.974 15.526 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.165 14.269 -0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.840 15.572 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.413 15.536 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.673 13.921 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.805 12.961 -2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.399 13.428 -1.679 1.00 0.00 H new ATOM 1441 N THR A 100 -6.430 12.018 0.315 1.00 0.00 N ATOM 1442 CA THR A 100 -5.075 12.232 -0.182 1.00 0.00 C ATOM 1443 C THR A 100 -4.943 13.614 -0.814 1.00 0.00 C ATOM 1444 O THR A 100 -5.869 14.102 -1.461 1.00 0.00 O ATOM 1445 CB THR A 100 -4.708 11.153 -1.202 1.00 0.00 C ATOM 1446 OG1 THR A 100 -4.805 9.863 -0.623 1.00 0.00 O ATOM 1447 CG2 THR A 100 -3.307 11.303 -1.755 1.00 0.00 C ATOM 0 H THR A 100 -7.073 11.622 -0.371 1.00 0.00 H new ATOM 0 HA THR A 100 -4.388 12.171 0.662 1.00 0.00 H new ATOM 0 HB THR A 100 -5.419 11.275 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.161 9.262 -1.053 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.112 10.506 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.213 12.269 -2.251 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.586 11.242 -0.940 1.00 0.00 H new ATOM 1455 N ASP A 101 -3.786 14.239 -0.621 1.00 0.00 N ATOM 1456 CA ASP A 101 -3.534 15.565 -1.173 1.00 0.00 C ATOM 1457 C ASP A 101 -2.035 15.822 -1.310 1.00 0.00 C ATOM 1458 O ASP A 101 -1.571 16.949 -1.149 1.00 0.00 O ATOM 1459 CB ASP A 101 -4.173 16.638 -0.286 1.00 0.00 C ATOM 1460 CG ASP A 101 -5.494 17.138 -0.840 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -5.982 16.557 -1.833 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -6.040 18.113 -0.281 1.00 0.00 O ATOM 0 H ASP A 101 -3.009 13.849 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.982 15.611 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.332 16.232 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.485 17.477 -0.183 1.00 0.00 H new ATOM 1467 N LYS A 102 -1.283 14.767 -1.609 1.00 0.00 N ATOM 1468 CA LYS A 102 0.161 14.881 -1.768 1.00 0.00 C ATOM 1469 C LYS A 102 0.773 13.549 -2.191 1.00 0.00 C ATOM 1470 O LYS A 102 1.684 13.508 -3.018 1.00 0.00 O ATOM 1471 CB LYS A 102 0.804 15.357 -0.464 1.00 0.00 C ATOM 1472 CG LYS A 102 2.174 15.989 -0.656 1.00 0.00 C ATOM 1473 CD LYS A 102 2.591 16.796 0.564 1.00 0.00 C ATOM 1474 CE LYS A 102 1.849 18.120 0.636 1.00 0.00 C ATOM 1475 NZ LYS A 102 0.708 18.067 1.592 1.00 0.00 N ATOM 0 H LYS A 102 -1.650 13.825 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 102 0.355 15.614 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.143 16.080 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.896 14.510 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.912 15.210 -0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.158 16.636 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.396 16.219 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.665 16.981 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.540 18.907 0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.480 18.384 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.149 18.431 1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.550 17.083 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.926 18.650 2.425 1.00 0.00 H new ATOM 1489 N TRP A 103 0.267 12.460 -1.616 1.00 0.00 N ATOM 1490 CA TRP A 103 0.764 11.125 -1.929 1.00 0.00 C ATOM 1491 C TRP A 103 0.791 10.868 -3.432 1.00 0.00 C ATOM 1492 O TRP A 103 1.568 10.047 -3.919 1.00 0.00 O ATOM 1493 CB TRP A 103 -0.088 10.081 -1.232 1.00 0.00 C ATOM 1494 CG TRP A 103 0.525 9.666 0.046 1.00 0.00 C ATOM 1495 CD1 TRP A 103 0.032 9.865 1.292 1.00 0.00 C ATOM 1496 CD2 TRP A 103 1.780 9.005 0.209 1.00 0.00 C ATOM 1497 NE1 TRP A 103 0.898 9.360 2.211 1.00 0.00 N ATOM 1498 CE2 TRP A 103 1.966 8.828 1.580 1.00 0.00 C ATOM 1499 CE3 TRP A 103 2.760 8.540 -0.669 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 3.074 8.214 2.114 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 3.881 7.921 -0.141 1.00 0.00 C ATOM 1502 CH2 TRP A 103 4.030 7.761 1.245 1.00 0.00 C ATOM 0 H TRP A 103 -0.488 12.478 -0.930 1.00 0.00 H new ATOM 0 HA TRP A 103 1.790 11.057 -1.568 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.084 10.483 -1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -0.209 9.213 -1.880 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.905 10.350 1.521 1.00 0.00 H new ATOM 0 HE1 TRP A 103 0.761 9.380 3.222 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.647 8.660 -1.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.186 8.093 3.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.651 7.557 -0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 103 4.912 7.273 1.632 1.00 0.00 H new ATOM 1513 N ASP A 104 -0.061 11.578 -4.161 1.00 0.00 N ATOM 1514 CA ASP A 104 -0.137 11.431 -5.609 1.00 0.00 C ATOM 1515 C ASP A 104 0.696 12.502 -6.307 1.00 0.00 C ATOM 1516 O ASP A 104 0.237 13.143 -7.253 1.00 0.00 O ATOM 1517 CB ASP A 104 -1.592 11.509 -6.076 1.00 0.00 C ATOM 1518 CG ASP A 104 -1.872 10.595 -7.253 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -1.346 9.462 -7.262 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -2.617 11.011 -8.164 1.00 0.00 O ATOM 0 H ASP A 104 -0.710 12.262 -3.772 1.00 0.00 H new ATOM 0 HA ASP A 104 0.267 10.454 -5.873 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.251 11.244 -5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.827 12.537 -6.354 1.00 0.00 H new ATOM 1525 N PHE A 105 1.923 12.692 -5.833 1.00 0.00 N ATOM 1526 CA PHE A 105 2.821 13.685 -6.409 1.00 0.00 C ATOM 1527 C PHE A 105 3.368 13.209 -7.751 1.00 0.00 C ATOM 1528 O PHE A 105 3.410 12.010 -8.025 1.00 0.00 O ATOM 1529 CB PHE A 105 3.974 13.979 -5.445 1.00 0.00 C ATOM 1530 CG PHE A 105 4.123 15.435 -5.114 1.00 0.00 C ATOM 1531 CD1 PHE A 105 4.664 16.317 -6.036 1.00 0.00 C ATOM 1532 CD2 PHE A 105 3.721 15.924 -3.881 1.00 0.00 C ATOM 1533 CE1 PHE A 105 4.803 17.659 -5.734 1.00 0.00 C ATOM 1534 CE2 PHE A 105 3.857 17.264 -3.573 1.00 0.00 C ATOM 1535 CZ PHE A 105 4.398 18.133 -4.501 1.00 0.00 C ATOM 0 H PHE A 105 2.318 12.170 -5.051 1.00 0.00 H new ATOM 0 HA PHE A 105 2.255 14.601 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.817 13.419 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 105 4.904 13.617 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 105 4.981 15.952 -7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.296 15.249 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.228 18.336 -6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.541 17.632 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.504 19.181 -4.263 1.00 0.00 H new ATOM 1545 N TYR A 106 3.787 14.157 -8.583 1.00 0.00 N ATOM 1546 CA TYR A 106 4.332 13.833 -9.896 1.00 0.00 C ATOM 1547 C TYR A 106 5.692 13.153 -9.768 1.00 0.00 C ATOM 1548 O TYR A 106 6.466 13.454 -8.858 1.00 0.00 O ATOM 1549 CB TYR A 106 4.454 15.099 -10.748 1.00 0.00 C ATOM 1550 CG TYR A 106 3.641 15.051 -12.023 1.00 0.00 C ATOM 1551 CD1 TYR A 106 2.280 14.778 -11.990 1.00 0.00 C ATOM 1552 CD2 TYR A 106 4.236 15.278 -13.257 1.00 0.00 C ATOM 1553 CE1 TYR A 106 1.533 14.731 -13.153 1.00 0.00 C ATOM 1554 CE2 TYR A 106 3.496 15.235 -14.424 1.00 0.00 C ATOM 1555 CZ TYR A 106 2.147 14.961 -14.366 1.00 0.00 C ATOM 1556 OH TYR A 106 1.406 14.916 -15.525 1.00 0.00 O ATOM 0 H TYR A 106 3.760 15.154 -8.372 1.00 0.00 H new ATOM 0 HA TYR A 106 3.647 13.141 -10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.136 15.957 -10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.502 15.257 -11.001 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.797 14.599 -11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.294 15.492 -13.306 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.476 14.516 -13.111 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.973 15.415 -15.376 1.00 0.00 H new ATOM 0 HH TYR A 106 1.987 15.101 -16.292 1.00 0.00 H new ATOM 1566 N CYS A 107 5.977 12.234 -10.686 1.00 0.00 N ATOM 1567 CA CYS A 107 7.243 11.510 -10.676 1.00 0.00 C ATOM 1568 C CYS A 107 8.420 12.467 -10.835 1.00 0.00 C ATOM 1569 O CYS A 107 8.800 12.820 -11.952 1.00 0.00 O ATOM 1570 CB CYS A 107 7.264 10.464 -11.793 1.00 0.00 C ATOM 1571 SG CYS A 107 8.663 9.302 -11.696 1.00 0.00 S ATOM 0 H CYS A 107 5.348 11.973 -11.446 1.00 0.00 H new ATOM 0 HA CYS A 107 7.338 11.006 -9.714 1.00 0.00 H new ATOM 0 HB2 CYS A 107 6.333 9.898 -11.764 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.296 10.976 -12.755 1.00 0.00 H new ATOM 1576 N GLN A 108 8.997 12.881 -9.712 1.00 0.00 N ATOM 1577 CA GLN A 108 10.133 13.795 -9.726 1.00 0.00 C ATOM 1578 C GLN A 108 11.132 13.439 -8.631 1.00 0.00 C ATOM 1579 O GLN A 108 10.743 13.465 -7.445 1.00 0.00 O ATOM 1580 CB GLN A 108 9.656 15.238 -9.550 1.00 0.00 C ATOM 1581 CG GLN A 108 10.582 16.267 -10.181 1.00 0.00 C ATOM 1582 CD GLN A 108 9.879 17.134 -11.208 1.00 0.00 C ATOM 1583 OE1 GLN A 108 8.835 16.759 -11.743 1.00 0.00 O ATOM 1584 NE2 GLN A 108 10.449 18.299 -11.489 1.00 0.00 N ATOM 1585 OXT GLN A 108 12.296 13.134 -8.968 1.00 0.00 O ATOM 0 H GLN A 108 8.696 12.598 -8.780 1.00 0.00 H new ATOM 0 HA GLN A 108 10.631 13.700 -10.691 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.663 15.339 -9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.559 15.453 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.999 16.902 -9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.419 15.754 -10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.314 18.569 -11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.022 18.924 -12.173 1.00 0.00 H new TER 1594 GLN A 108