USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 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 69 SER OG : rot 180:sc= 0.46 USER MOD Set 1.2: A 71 THR OG1 : rot 74:sc= 0.141 USER MOD Set 2.1: A 45 MET CE :methyl -155:sc= -2.5! (180deg=-4.87!) USER MOD Set 2.2: B 153 MET CE :methyl -145:sc= -0.217 (180deg=-0.28) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00577 USER MOD Single : A 16 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 0.898 (180deg=0.563) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0.752 (180deg=0.733) USER MOD Single : A 35 CYS SG : rot -45:sc= 0.589 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= 1.79 (180deg=0.796) USER MOD Single : A 47 MET CE :methyl 171:sc= 0 (180deg=-0.0363) USER MOD Single : A 50 GLN : amide:sc= -0.884 K(o=-0.88,f=-3!) USER MOD Single : A 51 ASN : amide:sc= 0.00794 X(o=0.0079,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl -101:sc= -0.0809 (180deg=-0.658) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -120:sc= -0.65 (180deg=-2.72!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -162:sc= -3! (180deg=-3.59!) USER MOD Single : B 149 SER OG : rot 180:sc= 0.0148 USER MOD Single : B 154 MET CE :methyl -161:sc= -2.34 (180deg=-3.62) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 69.490 9.035 8.026 1.00 0.00 N ATOM 45 CA ILE A 4 68.996 9.426 9.380 1.00 0.00 C ATOM 46 C ILE A 4 67.752 8.595 9.716 1.00 0.00 C ATOM 47 O ILE A 4 67.553 8.180 10.843 1.00 0.00 O ATOM 48 CB ILE A 4 68.652 10.917 9.275 1.00 0.00 C ATOM 49 CG1 ILE A 4 69.790 11.663 8.568 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.461 11.499 10.675 1.00 0.00 C ATOM 51 CD1 ILE A 4 69.230 12.908 7.877 1.00 0.00 C ATOM 0 HA ILE A 4 69.730 9.251 10.167 1.00 0.00 H new ATOM 0 HB ILE A 4 67.732 11.032 8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.556 11.948 9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 4 70.267 11.011 7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.217 12.558 10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.649 10.975 11.179 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.381 11.379 11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 4 70.038 13.439 7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 4 68.480 12.611 7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 4 68.773 13.562 8.620 1.00 0.00 H new ATOM 63 N TYR A 5 66.923 8.338 8.731 1.00 0.00 N ATOM 64 CA TYR A 5 65.693 7.518 8.961 1.00 0.00 C ATOM 65 C TYR A 5 66.074 6.042 9.137 1.00 0.00 C ATOM 66 O TYR A 5 65.421 5.307 9.851 1.00 0.00 O ATOM 67 CB TYR A 5 64.849 7.707 7.700 1.00 0.00 C ATOM 68 CG TYR A 5 64.132 9.035 7.756 1.00 0.00 C ATOM 69 CD1 TYR A 5 64.783 10.203 7.339 1.00 0.00 C ATOM 70 CD2 TYR A 5 62.814 9.096 8.218 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.112 11.430 7.382 1.00 0.00 C ATOM 72 CE2 TYR A 5 62.144 10.324 8.263 1.00 0.00 C ATOM 73 CZ TYR A 5 62.793 11.491 7.846 1.00 0.00 C ATOM 74 OH TYR A 5 62.131 12.699 7.886 1.00 0.00 O ATOM 0 H TYR A 5 67.048 8.664 7.773 1.00 0.00 H new ATOM 0 HA TYR A 5 65.154 7.820 9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 5 65.485 7.664 6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 5 64.125 6.897 7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.802 10.157 6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.313 8.195 8.540 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.612 12.330 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 5 61.126 10.371 8.620 1.00 0.00 H new ATOM 0 HH TYR A 5 61.224 12.564 8.233 1.00 0.00 H new ATOM 84 N LYS A 6 67.140 5.613 8.497 1.00 0.00 N ATOM 85 CA LYS A 6 67.590 4.191 8.634 1.00 0.00 C ATOM 86 C LYS A 6 67.830 3.860 10.115 1.00 0.00 C ATOM 87 O LYS A 6 67.585 2.755 10.561 1.00 0.00 O ATOM 88 CB LYS A 6 68.900 4.118 7.845 1.00 0.00 C ATOM 89 CG LYS A 6 69.245 2.660 7.541 1.00 0.00 C ATOM 90 CD LYS A 6 70.432 2.611 6.575 1.00 0.00 C ATOM 91 CE LYS A 6 69.920 2.522 5.133 1.00 0.00 C ATOM 92 NZ LYS A 6 70.639 3.597 4.382 1.00 0.00 N ATOM 0 H LYS A 6 67.717 6.189 7.885 1.00 0.00 H new ATOM 0 HA LYS A 6 66.852 3.479 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 6 68.806 4.680 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.705 4.579 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.490 2.133 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 6 68.384 2.154 7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.050 3.500 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.062 1.751 6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 6 70.125 1.541 4.705 1.00 0.00 H new ATOM 0 HE3 LYS A 6 68.841 2.669 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.334 3.590 3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.420 4.522 4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.664 3.428 4.430 1.00 0.00 H new ATOM 106 N ALA A 7 68.296 4.822 10.880 1.00 0.00 N ATOM 107 CA ALA A 7 68.539 4.584 12.337 1.00 0.00 C ATOM 108 C ALA A 7 67.218 4.226 13.038 1.00 0.00 C ATOM 109 O ALA A 7 67.163 3.319 13.847 1.00 0.00 O ATOM 110 CB ALA A 7 69.093 5.912 12.866 1.00 0.00 C ATOM 0 H ALA A 7 68.518 5.763 10.555 1.00 0.00 H new ATOM 0 HA ALA A 7 69.227 3.758 12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 7 69.298 5.821 13.933 1.00 0.00 H new ATOM 0 HB2 ALA A 7 70.015 6.158 12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.360 6.702 12.703 1.00 0.00 H new ATOM 116 N ALA A 8 66.152 4.928 12.721 1.00 0.00 N ATOM 117 CA ALA A 8 64.824 4.632 13.354 1.00 0.00 C ATOM 118 C ALA A 8 64.375 3.195 13.037 1.00 0.00 C ATOM 119 O ALA A 8 63.739 2.545 13.846 1.00 0.00 O ATOM 120 CB ALA A 8 63.855 5.643 12.731 1.00 0.00 C ATOM 0 H ALA A 8 66.145 5.695 12.049 1.00 0.00 H new ATOM 0 HA ALA A 8 64.865 4.713 14.440 1.00 0.00 H new ATOM 0 HB1 ALA A 8 62.857 5.492 13.143 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.191 6.655 12.955 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.826 5.501 11.651 1.00 0.00 H new ATOM 126 N VAL A 9 64.701 2.700 11.865 1.00 0.00 N ATOM 127 CA VAL A 9 64.297 1.306 11.483 1.00 0.00 C ATOM 128 C VAL A 9 64.859 0.277 12.475 1.00 0.00 C ATOM 129 O VAL A 9 64.169 -0.635 12.887 1.00 0.00 O ATOM 130 CB VAL A 9 64.893 1.089 10.087 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.677 -0.362 9.647 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.208 2.027 9.092 1.00 0.00 C ATOM 0 H VAL A 9 65.231 3.203 11.154 1.00 0.00 H new ATOM 0 HA VAL A 9 63.214 1.182 11.494 1.00 0.00 H new ATOM 0 HB VAL A 9 65.962 1.300 10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.103 -0.508 8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 9 65.165 -1.033 10.354 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.609 -0.579 9.619 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.630 1.875 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.139 1.815 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.366 3.061 9.399 1.00 0.00 H new ATOM 142 N GLU A 10 66.103 0.414 12.858 1.00 0.00 N ATOM 143 CA GLU A 10 66.701 -0.561 13.822 1.00 0.00 C ATOM 144 C GLU A 10 66.490 -0.105 15.276 1.00 0.00 C ATOM 145 O GLU A 10 66.872 -0.792 16.203 1.00 0.00 O ATOM 146 CB GLU A 10 68.191 -0.598 13.473 1.00 0.00 C ATOM 147 CG GLU A 10 68.388 -1.335 12.142 1.00 0.00 C ATOM 148 CD GLU A 10 68.090 -2.826 12.324 1.00 0.00 C ATOM 149 OE1 GLU A 10 66.935 -3.200 12.200 1.00 0.00 O ATOM 150 OE2 GLU A 10 69.021 -3.568 12.586 1.00 0.00 O ATOM 0 H GLU A 10 66.729 1.156 12.546 1.00 0.00 H new ATOM 0 HA GLU A 10 66.237 -1.544 13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.583 0.416 13.401 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.748 -1.100 14.264 1.00 0.00 H new ATOM 0 HG2 GLU A 10 67.730 -0.914 11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.410 -1.200 11.789 1.00 0.00 H new ATOM 157 N GLN A 11 65.881 1.039 15.486 1.00 0.00 N ATOM 158 CA GLN A 11 65.648 1.523 16.882 1.00 0.00 C ATOM 159 C GLN A 11 64.205 1.229 17.334 1.00 0.00 C ATOM 160 O GLN A 11 63.928 1.160 18.517 1.00 0.00 O ATOM 161 CB GLN A 11 65.900 3.033 16.825 1.00 0.00 C ATOM 162 CG GLN A 11 67.406 3.305 16.913 1.00 0.00 C ATOM 163 CD GLN A 11 67.669 4.466 17.874 1.00 0.00 C ATOM 164 OE1 GLN A 11 67.181 5.559 17.674 1.00 0.00 O ATOM 165 NE2 GLN A 11 68.430 4.276 18.915 1.00 0.00 N ATOM 0 H GLN A 11 65.536 1.657 14.751 1.00 0.00 H new ATOM 0 HA GLN A 11 66.300 1.024 17.599 1.00 0.00 H new ATOM 0 HB2 GLN A 11 65.499 3.444 15.899 1.00 0.00 H new ATOM 0 HB3 GLN A 11 65.382 3.530 17.645 1.00 0.00 H new ATOM 0 HG2 GLN A 11 67.926 2.411 17.257 1.00 0.00 H new ATOM 0 HG3 GLN A 11 67.800 3.543 15.925 1.00 0.00 H new ATOM 0 HE21 GLN A 11 68.841 3.358 19.085 1.00 0.00 H new ATOM 0 HE22 GLN A 11 68.614 5.045 19.559 1.00 0.00 H new ATOM 174 N LEU A 12 63.283 1.059 16.409 1.00 0.00 N ATOM 175 CA LEU A 12 61.859 0.774 16.803 1.00 0.00 C ATOM 176 C LEU A 12 61.737 -0.609 17.469 1.00 0.00 C ATOM 177 O LEU A 12 62.676 -1.383 17.499 1.00 0.00 O ATOM 178 CB LEU A 12 61.034 0.836 15.503 1.00 0.00 C ATOM 179 CG LEU A 12 61.550 -0.180 14.470 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.949 -1.557 14.748 1.00 0.00 C ATOM 181 CD2 LEU A 12 61.134 0.270 13.066 1.00 0.00 C ATOM 0 H LEU A 12 63.453 1.105 15.404 1.00 0.00 H new ATOM 0 HA LEU A 12 61.499 1.499 17.533 1.00 0.00 H new ATOM 0 HB2 LEU A 12 59.986 0.634 15.724 1.00 0.00 H new ATOM 0 HB3 LEU A 12 61.084 1.841 15.085 1.00 0.00 H new ATOM 0 HG LEU A 12 62.636 -0.238 14.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.319 -2.271 14.012 1.00 0.00 H new ATOM 0 HD12 LEU A 12 61.236 -1.884 15.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 59.862 -1.500 14.683 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.498 -0.448 12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.047 0.327 13.010 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.561 1.251 12.857 1.00 0.00 H new ATOM 193 N THR A 13 60.582 -0.917 18.008 1.00 0.00 N ATOM 194 CA THR A 13 60.389 -2.243 18.684 1.00 0.00 C ATOM 195 C THR A 13 59.827 -3.274 17.708 1.00 0.00 C ATOM 196 O THR A 13 59.259 -2.936 16.687 1.00 0.00 O ATOM 197 CB THR A 13 59.390 -1.986 19.821 1.00 0.00 C ATOM 198 OG1 THR A 13 58.180 -1.469 19.283 1.00 0.00 O ATOM 199 CG2 THR A 13 59.977 -0.979 20.812 1.00 0.00 C ATOM 0 H THR A 13 59.763 -0.309 18.010 1.00 0.00 H new ATOM 0 HA THR A 13 61.334 -2.642 19.054 1.00 0.00 H new ATOM 0 HB THR A 13 59.189 -2.924 20.338 1.00 0.00 H new ATOM 0 HG1 THR A 13 57.542 -1.307 20.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 59.263 -0.801 21.616 1.00 0.00 H new ATOM 0 HG22 THR A 13 60.902 -1.376 21.230 1.00 0.00 H new ATOM 0 HG23 THR A 13 60.185 -0.041 20.297 1.00 0.00 H new ATOM 207 N GLU A 14 59.983 -4.536 18.022 1.00 0.00 N ATOM 208 CA GLU A 14 59.461 -5.603 17.117 1.00 0.00 C ATOM 209 C GLU A 14 57.954 -5.423 16.880 1.00 0.00 C ATOM 210 O GLU A 14 57.436 -5.789 15.844 1.00 0.00 O ATOM 211 CB GLU A 14 59.742 -6.925 17.837 1.00 0.00 C ATOM 212 CG GLU A 14 59.795 -8.062 16.809 1.00 0.00 C ATOM 213 CD GLU A 14 61.249 -8.468 16.562 1.00 0.00 C ATOM 214 OE1 GLU A 14 61.864 -7.889 15.682 1.00 0.00 O ATOM 215 OE2 GLU A 14 61.723 -9.353 17.257 1.00 0.00 O ATOM 0 H GLU A 14 60.449 -4.872 18.865 1.00 0.00 H new ATOM 0 HA GLU A 14 59.937 -5.569 16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 14 60.687 -6.864 18.378 1.00 0.00 H new ATOM 0 HB3 GLU A 14 58.965 -7.123 18.575 1.00 0.00 H new ATOM 0 HG2 GLU A 14 59.225 -8.918 17.170 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.333 -7.742 15.875 1.00 0.00 H new ATOM 222 N GLU A 15 57.254 -4.852 17.830 1.00 0.00 N ATOM 223 CA GLU A 15 55.781 -4.629 17.669 1.00 0.00 C ATOM 224 C GLU A 15 55.512 -3.721 16.460 1.00 0.00 C ATOM 225 O GLU A 15 54.600 -3.954 15.689 1.00 0.00 O ATOM 226 CB GLU A 15 55.335 -3.940 18.965 1.00 0.00 C ATOM 227 CG GLU A 15 55.588 -4.867 20.162 1.00 0.00 C ATOM 228 CD GLU A 15 56.831 -4.398 20.922 1.00 0.00 C ATOM 229 OE1 GLU A 15 56.703 -3.495 21.732 1.00 0.00 O ATOM 230 OE2 GLU A 15 57.894 -4.946 20.676 1.00 0.00 O ATOM 0 H GLU A 15 57.642 -4.528 18.716 1.00 0.00 H new ATOM 0 HA GLU A 15 55.241 -5.560 17.497 1.00 0.00 H new ATOM 0 HB2 GLU A 15 55.880 -3.005 19.096 1.00 0.00 H new ATOM 0 HB3 GLU A 15 54.276 -3.687 18.907 1.00 0.00 H new ATOM 0 HG2 GLU A 15 54.723 -4.866 20.825 1.00 0.00 H new ATOM 0 HG3 GLU A 15 55.725 -5.892 19.818 1.00 0.00 H new ATOM 237 N GLN A 16 56.309 -2.694 16.286 1.00 0.00 N ATOM 238 CA GLN A 16 56.119 -1.772 15.130 1.00 0.00 C ATOM 239 C GLN A 16 56.728 -2.385 13.861 1.00 0.00 C ATOM 240 O GLN A 16 56.222 -2.203 12.767 1.00 0.00 O ATOM 241 CB GLN A 16 56.823 -0.474 15.563 1.00 0.00 C ATOM 242 CG GLN A 16 57.492 0.200 14.368 1.00 0.00 C ATOM 243 CD GLN A 16 56.596 1.317 13.830 1.00 0.00 C ATOM 244 OE1 GLN A 16 56.897 2.481 13.989 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.501 1.012 13.192 1.00 0.00 N ATOM 0 H GLN A 16 57.087 -2.456 16.901 1.00 0.00 H new ATOM 0 HA GLN A 16 55.073 -1.586 14.885 1.00 0.00 H new ATOM 0 HB2 GLN A 16 56.099 0.206 16.012 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.569 -0.696 16.326 1.00 0.00 H new ATOM 0 HG2 GLN A 16 58.458 0.608 14.664 1.00 0.00 H new ATOM 0 HG3 GLN A 16 57.682 -0.534 13.585 1.00 0.00 H new ATOM 0 HE21 GLN A 16 55.245 0.034 13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 16 54.900 1.751 12.828 1.00 0.00 H new ATOM 254 N LYS A 17 57.796 -3.118 14.005 1.00 0.00 N ATOM 255 CA LYS A 17 58.441 -3.764 12.817 1.00 0.00 C ATOM 256 C LYS A 17 57.557 -4.903 12.293 1.00 0.00 C ATOM 257 O LYS A 17 57.406 -5.078 11.098 1.00 0.00 O ATOM 258 CB LYS A 17 59.781 -4.312 13.322 1.00 0.00 C ATOM 259 CG LYS A 17 60.866 -4.052 12.272 1.00 0.00 C ATOM 260 CD LYS A 17 62.214 -4.574 12.783 1.00 0.00 C ATOM 261 CE LYS A 17 63.275 -3.472 12.666 1.00 0.00 C ATOM 262 NZ LYS A 17 64.317 -4.018 11.745 1.00 0.00 N ATOM 0 H LYS A 17 58.256 -3.301 14.897 1.00 0.00 H new ATOM 0 HA LYS A 17 58.581 -3.061 11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 60.050 -3.835 14.264 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.698 -5.381 13.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.605 -4.545 11.336 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.934 -2.985 12.062 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.121 -4.894 13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.518 -5.448 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.844 -2.553 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 17 63.700 -3.231 13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 65.201 -3.484 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.485 -5.020 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.991 -3.931 10.761 1.00 0.00 H new ATOM 276 N ASN A 18 56.964 -5.669 13.179 1.00 0.00 N ATOM 277 CA ASN A 18 56.075 -6.790 12.740 1.00 0.00 C ATOM 278 C ASN A 18 54.890 -6.236 11.934 1.00 0.00 C ATOM 279 O ASN A 18 54.430 -6.856 10.994 1.00 0.00 O ATOM 280 CB ASN A 18 55.590 -7.449 14.035 1.00 0.00 C ATOM 281 CG ASN A 18 55.233 -8.912 13.767 1.00 0.00 C ATOM 282 OD1 ASN A 18 56.086 -9.775 13.811 1.00 0.00 O ATOM 283 ND2 ASN A 18 54.000 -9.233 13.489 1.00 0.00 N ATOM 0 H ASN A 18 57.058 -5.565 14.189 1.00 0.00 H new ATOM 0 HA ASN A 18 56.592 -7.502 12.097 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.366 -7.388 14.798 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.720 -6.917 14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 18 53.755 -10.207 13.309 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.281 -8.510 13.451 1.00 0.00 H new ATOM 290 N GLU A 19 54.406 -5.066 12.288 1.00 0.00 N ATOM 291 CA GLU A 19 53.261 -4.464 11.532 1.00 0.00 C ATOM 292 C GLU A 19 53.681 -4.194 10.079 1.00 0.00 C ATOM 293 O GLU A 19 52.997 -4.576 9.148 1.00 0.00 O ATOM 294 CB GLU A 19 52.935 -3.151 12.255 1.00 0.00 C ATOM 295 CG GLU A 19 51.479 -3.178 12.738 1.00 0.00 C ATOM 296 CD GLU A 19 50.531 -2.953 11.556 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.222 -3.918 10.877 1.00 0.00 O ATOM 298 OE2 GLU A 19 50.127 -1.819 11.352 1.00 0.00 O ATOM 0 H GLU A 19 54.754 -4.505 13.065 1.00 0.00 H new ATOM 0 HA GLU A 19 52.395 -5.125 11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.607 -3.014 13.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.091 -2.306 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.262 -4.135 13.212 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.323 -2.407 13.492 1.00 0.00 H new ATOM 305 N PHE A 20 54.814 -3.557 9.881 1.00 0.00 N ATOM 306 CA PHE A 20 55.291 -3.280 8.486 1.00 0.00 C ATOM 307 C PHE A 20 55.592 -4.600 7.762 1.00 0.00 C ATOM 308 O PHE A 20 55.378 -4.722 6.571 1.00 0.00 O ATOM 309 CB PHE A 20 56.576 -2.455 8.644 1.00 0.00 C ATOM 310 CG PHE A 20 56.237 -1.008 8.932 1.00 0.00 C ATOM 311 CD1 PHE A 20 55.303 -0.328 8.136 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.864 -0.343 9.995 1.00 0.00 C ATOM 313 CE1 PHE A 20 54.997 1.012 8.406 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.557 0.996 10.262 1.00 0.00 C ATOM 315 CZ PHE A 20 55.625 1.674 9.469 1.00 0.00 C ATOM 0 H PHE A 20 55.427 -3.218 10.623 1.00 0.00 H new ATOM 0 HA PHE A 20 54.542 -2.749 7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.181 -2.862 9.454 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.174 -2.522 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 20 54.820 -0.838 7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.584 -0.864 10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 20 54.277 1.535 7.794 1.00 0.00 H new ATOM 0 HE2 PHE A 20 57.040 1.507 11.082 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.390 2.707 9.676 1.00 0.00 H new ATOM 325 N LYS A 21 56.080 -5.588 8.478 1.00 0.00 N ATOM 326 CA LYS A 21 56.390 -6.909 7.843 1.00 0.00 C ATOM 327 C LYS A 21 55.146 -7.459 7.128 1.00 0.00 C ATOM 328 O LYS A 21 55.220 -7.887 5.993 1.00 0.00 O ATOM 329 CB LYS A 21 56.814 -7.819 9.009 1.00 0.00 C ATOM 330 CG LYS A 21 56.481 -9.283 8.695 1.00 0.00 C ATOM 331 CD LYS A 21 57.400 -9.787 7.577 1.00 0.00 C ATOM 332 CE LYS A 21 57.841 -11.221 7.879 1.00 0.00 C ATOM 333 NZ LYS A 21 56.876 -12.085 7.138 1.00 0.00 N ATOM 0 H LYS A 21 56.277 -5.535 9.477 1.00 0.00 H new ATOM 0 HA LYS A 21 57.172 -6.838 7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 21 57.884 -7.714 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 21 56.304 -7.512 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.607 -9.895 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 21 55.438 -9.373 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 21 56.879 -9.750 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.272 -9.139 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 21 58.864 -11.398 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 21 57.813 -11.426 8.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 57.182 -13.077 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 55.930 -11.988 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 56.843 -11.793 6.141 1.00 0.00 H new ATOM 347 N ALA A 22 54.008 -7.441 7.784 1.00 0.00 N ATOM 348 CA ALA A 22 52.753 -7.953 7.144 1.00 0.00 C ATOM 349 C ALA A 22 52.495 -7.213 5.822 1.00 0.00 C ATOM 350 O ALA A 22 52.191 -7.820 4.812 1.00 0.00 O ATOM 351 CB ALA A 22 51.646 -7.669 8.162 1.00 0.00 C ATOM 0 H ALA A 22 53.895 -7.093 8.736 1.00 0.00 H new ATOM 0 HA ALA A 22 52.810 -9.014 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 22 50.691 -8.016 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 51.865 -8.192 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 22 51.592 -6.597 8.352 1.00 0.00 H new ATOM 357 N ALA A 23 52.641 -5.908 5.817 1.00 0.00 N ATOM 358 CA ALA A 23 52.433 -5.129 4.556 1.00 0.00 C ATOM 359 C ALA A 23 53.533 -5.485 3.540 1.00 0.00 C ATOM 360 O ALA A 23 53.294 -5.559 2.349 1.00 0.00 O ATOM 361 CB ALA A 23 52.528 -3.658 4.977 1.00 0.00 C ATOM 0 H ALA A 23 52.895 -5.350 6.632 1.00 0.00 H new ATOM 0 HA ALA A 23 51.477 -5.346 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.386 -3.020 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 23 51.757 -3.440 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 23 53.510 -3.466 5.410 1.00 0.00 H new ATOM 367 N PHE A 24 54.733 -5.720 4.016 1.00 0.00 N ATOM 368 CA PHE A 24 55.865 -6.089 3.108 1.00 0.00 C ATOM 369 C PHE A 24 55.599 -7.457 2.455 1.00 0.00 C ATOM 370 O PHE A 24 55.909 -7.667 1.297 1.00 0.00 O ATOM 371 CB PHE A 24 57.092 -6.153 4.028 1.00 0.00 C ATOM 372 CG PHE A 24 58.343 -6.428 3.221 1.00 0.00 C ATOM 373 CD1 PHE A 24 58.877 -5.435 2.391 1.00 0.00 C ATOM 374 CD2 PHE A 24 58.973 -7.675 3.311 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.039 -5.689 1.653 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.136 -7.928 2.573 1.00 0.00 C ATOM 377 CZ PHE A 24 60.668 -6.935 1.744 1.00 0.00 C ATOM 0 H PHE A 24 54.978 -5.671 5.005 1.00 0.00 H new ATOM 0 HA PHE A 24 56.000 -5.377 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.199 -5.212 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 24 56.954 -6.935 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.392 -4.473 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.562 -8.442 3.950 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.450 -4.922 1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.622 -8.890 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.564 -7.130 1.174 1.00 0.00 H new ATOM 387 N ASP A 25 55.025 -8.382 3.192 1.00 0.00 N ATOM 388 CA ASP A 25 54.730 -9.741 2.628 1.00 0.00 C ATOM 389 C ASP A 25 53.862 -9.629 1.364 1.00 0.00 C ATOM 390 O ASP A 25 54.069 -10.339 0.398 1.00 0.00 O ATOM 391 CB ASP A 25 53.971 -10.483 3.738 1.00 0.00 C ATOM 392 CG ASP A 25 54.939 -10.911 4.847 1.00 0.00 C ATOM 393 OD1 ASP A 25 56.013 -11.396 4.525 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.587 -10.754 6.005 1.00 0.00 O ATOM 0 H ASP A 25 54.747 -8.253 4.165 1.00 0.00 H new ATOM 0 HA ASP A 25 55.641 -10.264 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 25 53.195 -9.839 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 25 53.471 -11.359 3.324 1.00 0.00 H new ATOM 399 N ILE A 26 52.902 -8.737 1.357 1.00 0.00 N ATOM 400 CA ILE A 26 52.034 -8.575 0.146 1.00 0.00 C ATOM 401 C ILE A 26 52.841 -7.928 -0.992 1.00 0.00 C ATOM 402 O ILE A 26 52.615 -8.199 -2.157 1.00 0.00 O ATOM 403 CB ILE A 26 50.883 -7.659 0.582 1.00 0.00 C ATOM 404 CG1 ILE A 26 50.121 -8.304 1.747 1.00 0.00 C ATOM 405 CG2 ILE A 26 49.922 -7.445 -0.592 1.00 0.00 C ATOM 406 CD1 ILE A 26 49.757 -7.233 2.778 1.00 0.00 C ATOM 0 H ILE A 26 52.681 -8.115 2.135 1.00 0.00 H new ATOM 0 HA ILE A 26 51.662 -9.531 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 26 51.291 -6.700 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 26 49.218 -8.791 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 26 50.733 -9.077 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.105 -6.794 -0.280 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.458 -6.983 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 26 49.518 -8.406 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.216 -7.693 3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.667 -6.767 3.155 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.128 -6.476 2.310 1.00 0.00 H new ATOM 418 N PHE A 27 53.787 -7.083 -0.659 1.00 0.00 N ATOM 419 CA PHE A 27 54.617 -6.426 -1.716 1.00 0.00 C ATOM 420 C PHE A 27 55.567 -7.446 -2.357 1.00 0.00 C ATOM 421 O PHE A 27 55.778 -7.437 -3.555 1.00 0.00 O ATOM 422 CB PHE A 27 55.415 -5.336 -0.988 1.00 0.00 C ATOM 423 CG PHE A 27 54.988 -3.974 -1.482 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.045 -3.676 -2.849 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.537 -3.011 -0.573 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.649 -2.415 -3.307 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.141 -1.749 -1.031 1.00 0.00 C ATOM 428 CZ PHE A 27 54.197 -1.452 -2.398 1.00 0.00 C ATOM 0 H PHE A 27 54.020 -6.820 0.299 1.00 0.00 H new ATOM 0 HA PHE A 27 54.004 -6.013 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.253 -5.410 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.482 -5.477 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.395 -4.420 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.494 -3.241 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.692 -2.185 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.792 -1.005 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.891 -0.478 -2.751 1.00 0.00 H new ATOM 438 N VAL A 28 56.137 -8.327 -1.570 1.00 0.00 N ATOM 439 CA VAL A 28 57.074 -9.353 -2.137 1.00 0.00 C ATOM 440 C VAL A 28 56.314 -10.610 -2.597 1.00 0.00 C ATOM 441 O VAL A 28 56.920 -11.612 -2.929 1.00 0.00 O ATOM 442 CB VAL A 28 58.047 -9.704 -0.999 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.758 -8.439 -0.518 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.282 -10.334 0.174 1.00 0.00 C ATOM 0 H VAL A 28 55.995 -8.381 -0.561 1.00 0.00 H new ATOM 0 HA VAL A 28 57.594 -8.966 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 28 58.782 -10.417 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.446 -8.693 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.315 -7.998 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.021 -7.723 -0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.980 -10.579 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 56.538 -9.628 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 28 56.783 -11.243 -0.163 1.00 0.00 H new ATOM 454 N LEU A 29 54.998 -10.574 -2.620 1.00 0.00 N ATOM 455 CA LEU A 29 54.223 -11.777 -3.060 1.00 0.00 C ATOM 456 C LEU A 29 54.579 -12.131 -4.511 1.00 0.00 C ATOM 457 O LEU A 29 54.176 -11.457 -5.443 1.00 0.00 O ATOM 458 CB LEU A 29 52.744 -11.383 -2.945 1.00 0.00 C ATOM 459 CG LEU A 29 52.060 -12.256 -1.889 1.00 0.00 C ATOM 460 CD1 LEU A 29 50.731 -11.617 -1.483 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.797 -13.649 -2.468 1.00 0.00 C ATOM 0 H LEU A 29 54.433 -9.767 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 29 54.449 -12.653 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.658 -10.331 -2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.249 -11.505 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 29 52.707 -12.341 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.243 -12.238 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.915 -10.625 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.086 -11.532 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.310 -14.270 -1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.151 -13.564 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.743 -14.106 -2.759 1.00 0.00 H new ATOM 473 N GLY A 30 55.341 -13.179 -4.700 1.00 0.00 N ATOM 474 CA GLY A 30 55.743 -13.588 -6.081 1.00 0.00 C ATOM 475 C GLY A 30 57.130 -13.022 -6.424 1.00 0.00 C ATOM 476 O GLY A 30 57.513 -12.980 -7.577 1.00 0.00 O ATOM 0 H GLY A 30 55.704 -13.772 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 55.758 -14.675 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.008 -13.229 -6.802 1.00 0.00 H new ATOM 480 N ALA A 31 57.889 -12.590 -5.442 1.00 0.00 N ATOM 481 CA ALA A 31 59.246 -12.037 -5.730 1.00 0.00 C ATOM 482 C ALA A 31 60.301 -12.783 -4.905 1.00 0.00 C ATOM 483 O ALA A 31 60.646 -12.380 -3.809 1.00 0.00 O ATOM 484 CB ALA A 31 59.171 -10.562 -5.325 1.00 0.00 C ATOM 0 H ALA A 31 57.625 -12.598 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 31 59.529 -12.149 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.134 -10.085 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.401 -10.062 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.924 -10.488 -4.266 1.00 0.00 H new ATOM 524 N CYS A 35 61.827 -9.576 -1.422 1.00 0.00 N ATOM 525 CA CYS A 35 62.511 -8.420 -2.087 1.00 0.00 C ATOM 526 C CYS A 35 61.509 -7.622 -2.935 1.00 0.00 C ATOM 527 O CYS A 35 60.553 -8.166 -3.456 1.00 0.00 O ATOM 528 CB CYS A 35 63.597 -9.043 -2.971 1.00 0.00 C ATOM 529 SG CYS A 35 62.850 -10.194 -4.154 1.00 0.00 S ATOM 0 HA CYS A 35 62.934 -7.724 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.137 -8.260 -3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.325 -9.567 -2.352 1.00 0.00 H new ATOM 0 HG CYS A 35 61.980 -10.941 -3.542 1.00 0.00 H new ATOM 535 N ILE A 36 61.721 -6.336 -3.073 1.00 0.00 N ATOM 536 CA ILE A 36 60.781 -5.499 -3.883 1.00 0.00 C ATOM 537 C ILE A 36 61.538 -4.760 -4.998 1.00 0.00 C ATOM 538 O ILE A 36 62.543 -4.115 -4.762 1.00 0.00 O ATOM 539 CB ILE A 36 60.168 -4.504 -2.885 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.063 -5.202 -2.085 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.570 -3.305 -3.635 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.658 -4.326 -0.893 1.00 0.00 C ATOM 0 H ILE A 36 62.504 -5.830 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 36 60.017 -6.101 -4.375 1.00 0.00 H new ATOM 0 HB ILE A 36 60.948 -4.151 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.199 -5.386 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.413 -6.173 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.138 -2.606 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.353 -2.804 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.793 -3.653 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.872 -4.824 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.523 -4.164 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.291 -3.366 -1.255 1.00 0.00 H new ATOM 554 N SER A 37 61.045 -4.846 -6.209 1.00 0.00 N ATOM 555 CA SER A 37 61.707 -4.146 -7.354 1.00 0.00 C ATOM 556 C SER A 37 60.712 -3.190 -8.027 1.00 0.00 C ATOM 557 O SER A 37 59.588 -3.038 -7.583 1.00 0.00 O ATOM 558 CB SER A 37 62.120 -5.258 -8.319 1.00 0.00 C ATOM 559 OG SER A 37 63.239 -4.824 -9.083 1.00 0.00 O ATOM 0 H SER A 37 60.208 -5.374 -6.455 1.00 0.00 H new ATOM 0 HA SER A 37 62.562 -3.549 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.372 -6.162 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.290 -5.510 -8.979 1.00 0.00 H new ATOM 0 HG SER A 37 63.508 -5.535 -9.702 1.00 0.00 H new ATOM 565 N THR A 38 61.115 -2.548 -9.097 1.00 0.00 N ATOM 566 CA THR A 38 60.192 -1.598 -9.808 1.00 0.00 C ATOM 567 C THR A 38 58.996 -2.353 -10.408 1.00 0.00 C ATOM 568 O THR A 38 57.886 -1.855 -10.423 1.00 0.00 O ATOM 569 CB THR A 38 61.036 -0.957 -10.919 1.00 0.00 C ATOM 570 OG1 THR A 38 61.592 -1.974 -11.748 1.00 0.00 O ATOM 571 CG2 THR A 38 62.156 -0.121 -10.292 1.00 0.00 C ATOM 0 H THR A 38 62.043 -2.639 -9.511 1.00 0.00 H new ATOM 0 HA THR A 38 59.784 -0.850 -9.128 1.00 0.00 H new ATOM 0 HB THR A 38 60.404 -0.310 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.128 -1.561 -12.457 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.755 0.334 -11.081 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.721 0.661 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.789 -0.762 -9.679 1.00 0.00 H new ATOM 579 N LYS A 39 59.214 -3.550 -10.896 1.00 0.00 N ATOM 580 CA LYS A 39 58.091 -4.343 -11.491 1.00 0.00 C ATOM 581 C LYS A 39 57.075 -4.731 -10.408 1.00 0.00 C ATOM 582 O LYS A 39 55.879 -4.622 -10.601 1.00 0.00 O ATOM 583 CB LYS A 39 58.752 -5.597 -12.072 1.00 0.00 C ATOM 584 CG LYS A 39 59.161 -5.338 -13.524 1.00 0.00 C ATOM 585 CD LYS A 39 59.935 -6.548 -14.058 1.00 0.00 C ATOM 586 CE LYS A 39 59.295 -7.041 -15.361 1.00 0.00 C ATOM 587 NZ LYS A 39 58.138 -7.882 -14.934 1.00 0.00 N ATOM 0 H LYS A 39 60.123 -4.013 -10.908 1.00 0.00 H new ATOM 0 HA LYS A 39 57.548 -3.776 -12.248 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.627 -5.866 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.062 -6.440 -12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.277 -5.159 -14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.778 -4.442 -13.585 1.00 0.00 H new ATOM 0 HD2 LYS A 39 60.976 -6.277 -14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 39 59.935 -7.347 -13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 39 58.968 -6.206 -15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 39 60.004 -7.618 -15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.651 -8.254 -15.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 58.480 -8.674 -14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 57.476 -7.305 -14.377 1.00 0.00 H new ATOM 601 N GLU A 40 57.547 -5.182 -9.271 1.00 0.00 N ATOM 602 CA GLU A 40 56.616 -5.583 -8.169 1.00 0.00 C ATOM 603 C GLU A 40 55.957 -4.350 -7.531 1.00 0.00 C ATOM 604 O GLU A 40 54.897 -4.449 -6.943 1.00 0.00 O ATOM 605 CB GLU A 40 57.490 -6.313 -7.144 1.00 0.00 C ATOM 606 CG GLU A 40 58.008 -7.623 -7.749 1.00 0.00 C ATOM 607 CD GLU A 40 59.485 -7.471 -8.120 1.00 0.00 C ATOM 608 OE1 GLU A 40 60.315 -7.591 -7.233 1.00 0.00 O ATOM 609 OE2 GLU A 40 59.762 -7.232 -9.284 1.00 0.00 O ATOM 0 H GLU A 40 58.539 -5.290 -9.058 1.00 0.00 H new ATOM 0 HA GLU A 40 55.806 -6.213 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.328 -5.681 -6.849 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.914 -6.520 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.884 -8.438 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.426 -7.882 -8.633 1.00 0.00 H new ATOM 616 N LEU A 41 56.566 -3.192 -7.640 1.00 0.00 N ATOM 617 CA LEU A 41 55.953 -1.966 -7.036 1.00 0.00 C ATOM 618 C LEU A 41 54.607 -1.661 -7.709 1.00 0.00 C ATOM 619 O LEU A 41 53.617 -1.411 -7.046 1.00 0.00 O ATOM 620 CB LEU A 41 56.962 -0.836 -7.291 1.00 0.00 C ATOM 621 CG LEU A 41 56.284 0.529 -7.116 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.489 0.566 -5.807 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.354 1.615 -7.088 1.00 0.00 C ATOM 0 H LEU A 41 57.455 -3.044 -8.118 1.00 0.00 H new ATOM 0 HA LEU A 41 55.753 -2.088 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.801 -0.925 -6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.368 -0.922 -8.299 1.00 0.00 H new ATOM 0 HG LEU A 41 55.599 0.697 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.014 1.541 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.724 -0.211 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.162 0.394 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.881 2.589 -6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.035 1.434 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.913 1.600 -8.024 1.00 0.00 H new ATOM 635 N GLY A 42 54.568 -1.682 -9.021 1.00 0.00 N ATOM 636 CA GLY A 42 53.293 -1.394 -9.747 1.00 0.00 C ATOM 637 C GLY A 42 52.181 -2.343 -9.277 1.00 0.00 C ATOM 638 O GLY A 42 51.017 -1.991 -9.297 1.00 0.00 O ATOM 0 H GLY A 42 55.368 -1.887 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.994 -0.360 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.445 -1.506 -10.820 1.00 0.00 H new ATOM 642 N LYS A 43 52.529 -3.536 -8.842 1.00 0.00 N ATOM 643 CA LYS A 43 51.491 -4.501 -8.349 1.00 0.00 C ATOM 644 C LYS A 43 50.588 -3.816 -7.310 1.00 0.00 C ATOM 645 O LYS A 43 49.376 -3.886 -7.389 1.00 0.00 O ATOM 646 CB LYS A 43 52.292 -5.637 -7.704 1.00 0.00 C ATOM 647 CG LYS A 43 51.359 -6.791 -7.317 1.00 0.00 C ATOM 648 CD LYS A 43 51.780 -7.363 -5.957 1.00 0.00 C ATOM 649 CE LYS A 43 53.243 -7.824 -6.013 1.00 0.00 C ATOM 650 NZ LYS A 43 53.427 -8.705 -4.823 1.00 0.00 N ATOM 0 H LYS A 43 53.488 -3.882 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 43 50.840 -4.861 -9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.054 -5.993 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.812 -5.268 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.329 -6.438 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 43 51.395 -7.571 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.658 -6.607 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 43 51.136 -8.201 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.450 -8.364 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.924 -6.974 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.335 -8.486 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.652 -8.543 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.422 -9.700 -5.124 1.00 0.00 H new ATOM 664 N VAL A 44 51.176 -3.138 -6.352 1.00 0.00 N ATOM 665 CA VAL A 44 50.359 -2.427 -5.317 1.00 0.00 C ATOM 666 C VAL A 44 49.854 -1.084 -5.875 1.00 0.00 C ATOM 667 O VAL A 44 48.804 -0.602 -5.487 1.00 0.00 O ATOM 668 CB VAL A 44 51.305 -2.204 -4.125 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.692 -1.187 -3.159 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.521 -3.525 -3.382 1.00 0.00 C ATOM 0 H VAL A 44 52.186 -3.047 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 44 49.480 -3.000 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 44 52.259 -1.829 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.366 -1.033 -2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.537 -0.241 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.736 -1.562 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.192 -3.362 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.564 -3.898 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.961 -4.256 -4.060 1.00 0.00 H new ATOM 680 N MET A 45 50.587 -0.483 -6.785 1.00 0.00 N ATOM 681 CA MET A 45 50.147 0.825 -7.375 1.00 0.00 C ATOM 682 C MET A 45 48.754 0.682 -8.007 1.00 0.00 C ATOM 683 O MET A 45 47.918 1.553 -7.872 1.00 0.00 O ATOM 684 CB MET A 45 51.191 1.163 -8.445 1.00 0.00 C ATOM 685 CG MET A 45 52.511 1.553 -7.774 1.00 0.00 C ATOM 686 SD MET A 45 52.556 3.347 -7.527 1.00 0.00 S ATOM 687 CE MET A 45 53.440 3.345 -5.945 1.00 0.00 C ATOM 0 H MET A 45 51.471 -0.842 -7.145 1.00 0.00 H new ATOM 0 HA MET A 45 50.076 1.609 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.345 0.306 -9.100 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.834 1.982 -9.070 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.610 1.041 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.352 1.239 -8.392 1.00 0.00 H new ATOM 0 HE1 MET A 45 53.202 4.255 -5.394 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.136 2.477 -5.360 1.00 0.00 H new ATOM 0 HE3 MET A 45 54.514 3.302 -6.128 1.00 0.00 H new ATOM 697 N ARG A 46 48.497 -0.415 -8.683 1.00 0.00 N ATOM 698 CA ARG A 46 47.151 -0.624 -9.314 1.00 0.00 C ATOM 699 C ARG A 46 46.050 -0.591 -8.241 1.00 0.00 C ATOM 700 O ARG A 46 44.993 -0.026 -8.446 1.00 0.00 O ATOM 701 CB ARG A 46 47.231 -2.008 -9.972 1.00 0.00 C ATOM 702 CG ARG A 46 45.849 -2.421 -10.497 1.00 0.00 C ATOM 703 CD ARG A 46 45.281 -3.537 -9.617 1.00 0.00 C ATOM 704 NE ARG A 46 44.126 -4.082 -10.387 1.00 0.00 N ATOM 705 CZ ARG A 46 42.961 -4.207 -9.818 1.00 0.00 C ATOM 706 NH1 ARG A 46 42.735 -5.203 -9.009 1.00 0.00 N ATOM 707 NH2 ARG A 46 42.024 -3.336 -10.060 1.00 0.00 N ATOM 0 H ARG A 46 49.162 -1.176 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 46 46.907 0.154 -10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.950 -1.989 -10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 46 47.589 -2.742 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 46 45.176 -1.563 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 46 45.927 -2.762 -11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.027 -4.308 -9.426 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.964 -3.153 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 46 44.249 -4.357 -11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 46 43.470 -5.885 -8.821 1.00 0.00 H new ATOM 0 HH12 ARG A 46 41.823 -5.301 -8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 46 42.203 -2.557 -10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 46 41.111 -3.432 -9.615 1.00 0.00 H new ATOM 721 N MET A 47 46.298 -1.188 -7.099 1.00 0.00 N ATOM 722 CA MET A 47 45.277 -1.189 -6.002 1.00 0.00 C ATOM 723 C MET A 47 44.945 0.253 -5.585 1.00 0.00 C ATOM 724 O MET A 47 43.795 0.601 -5.395 1.00 0.00 O ATOM 725 CB MET A 47 45.938 -1.953 -4.849 1.00 0.00 C ATOM 726 CG MET A 47 44.935 -2.144 -3.708 1.00 0.00 C ATOM 727 SD MET A 47 44.340 -3.853 -3.706 1.00 0.00 S ATOM 728 CE MET A 47 43.951 -3.951 -1.941 1.00 0.00 C ATOM 0 H MET A 47 47.166 -1.676 -6.879 1.00 0.00 H new ATOM 0 HA MET A 47 44.338 -1.650 -6.307 1.00 0.00 H new ATOM 0 HB2 MET A 47 46.292 -2.922 -5.199 1.00 0.00 H new ATOM 0 HB3 MET A 47 46.810 -1.405 -4.491 1.00 0.00 H new ATOM 0 HG2 MET A 47 45.406 -1.911 -2.753 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.098 -1.456 -3.827 1.00 0.00 H new ATOM 0 HE1 MET A 47 43.414 -4.878 -1.738 1.00 0.00 H new ATOM 0 HE2 MET A 47 44.875 -3.932 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 47 43.329 -3.102 -1.658 1.00 0.00 H new ATOM 738 N LEU A 48 45.944 1.093 -5.457 1.00 0.00 N ATOM 739 CA LEU A 48 45.691 2.518 -5.072 1.00 0.00 C ATOM 740 C LEU A 48 45.195 3.309 -6.293 1.00 0.00 C ATOM 741 O LEU A 48 44.340 4.166 -6.181 1.00 0.00 O ATOM 742 CB LEU A 48 47.046 3.057 -4.594 1.00 0.00 C ATOM 743 CG LEU A 48 47.431 2.400 -3.264 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.825 2.869 -2.844 1.00 0.00 C ATOM 745 CD2 LEU A 48 46.421 2.794 -2.184 1.00 0.00 C ATOM 0 H LEU A 48 46.925 0.853 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 48 44.929 2.608 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.812 2.856 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.994 4.139 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 48 47.431 1.317 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 49.097 2.401 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 48 49.549 2.589 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 48 48.824 3.953 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 48 46.697 2.325 -1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 48 46.420 3.877 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 48 45.426 2.460 -2.477 1.00 0.00 H new ATOM 757 N GLY A 49 45.729 3.019 -7.456 1.00 0.00 N ATOM 758 CA GLY A 49 45.301 3.737 -8.696 1.00 0.00 C ATOM 759 C GLY A 49 46.481 4.534 -9.261 1.00 0.00 C ATOM 760 O GLY A 49 46.365 5.711 -9.542 1.00 0.00 O ATOM 0 H GLY A 49 46.448 2.310 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.944 3.022 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 49 44.470 4.407 -8.472 1.00 0.00 H new ATOM 764 N GLN A 50 47.617 3.901 -9.426 1.00 0.00 N ATOM 765 CA GLN A 50 48.815 4.616 -9.970 1.00 0.00 C ATOM 766 C GLN A 50 49.468 3.782 -11.081 1.00 0.00 C ATOM 767 O GLN A 50 49.476 2.566 -11.029 1.00 0.00 O ATOM 768 CB GLN A 50 49.760 4.763 -8.773 1.00 0.00 C ATOM 769 CG GLN A 50 49.190 5.800 -7.795 1.00 0.00 C ATOM 770 CD GLN A 50 49.552 5.419 -6.356 1.00 0.00 C ATOM 771 OE1 GLN A 50 49.498 4.264 -5.985 1.00 0.00 O ATOM 772 NE2 GLN A 50 49.915 6.351 -5.521 1.00 0.00 N ATOM 0 H GLN A 50 47.767 2.916 -9.207 1.00 0.00 H new ATOM 0 HA GLN A 50 48.562 5.581 -10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 50 49.881 3.803 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 50 50.749 5.072 -9.112 1.00 0.00 H new ATOM 0 HG2 GLN A 50 49.586 6.788 -8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 50 48.107 5.857 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 50 49.961 7.322 -5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 50 50.153 6.109 -4.559 1.00 0.00 H new ATOM 781 N ASN A 51 50.015 4.424 -12.085 1.00 0.00 N ATOM 782 CA ASN A 51 50.664 3.661 -13.198 1.00 0.00 C ATOM 783 C ASN A 51 52.054 4.241 -13.527 1.00 0.00 C ATOM 784 O ASN A 51 52.284 4.709 -14.627 1.00 0.00 O ATOM 785 CB ASN A 51 49.708 3.817 -14.388 1.00 0.00 C ATOM 786 CG ASN A 51 49.781 2.571 -15.272 1.00 0.00 C ATOM 787 OD1 ASN A 51 48.944 1.697 -15.179 1.00 0.00 O ATOM 788 ND2 ASN A 51 50.754 2.449 -16.131 1.00 0.00 N ATOM 0 H ASN A 51 50.040 5.439 -12.182 1.00 0.00 H new ATOM 0 HA ASN A 51 50.828 2.615 -12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 51 48.688 3.963 -14.031 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.973 4.702 -14.967 1.00 0.00 H new ATOM 0 HD21 ASN A 51 50.811 1.620 -16.723 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.459 3.182 -16.211 1.00 0.00 H new ATOM 795 N PRO A 52 52.942 4.183 -12.560 1.00 0.00 N ATOM 796 CA PRO A 52 54.320 4.701 -12.759 1.00 0.00 C ATOM 797 C PRO A 52 55.165 3.698 -13.562 1.00 0.00 C ATOM 798 O PRO A 52 54.876 2.516 -13.598 1.00 0.00 O ATOM 799 CB PRO A 52 54.858 4.841 -11.339 1.00 0.00 C ATOM 800 CG PRO A 52 54.073 3.861 -10.520 1.00 0.00 C ATOM 801 CD PRO A 52 52.749 3.642 -11.207 1.00 0.00 C ATOM 0 HA PRO A 52 54.346 5.637 -13.318 1.00 0.00 H new ATOM 0 HB2 PRO A 52 55.925 4.621 -11.299 1.00 0.00 H new ATOM 0 HB3 PRO A 52 54.728 5.857 -10.967 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.615 2.920 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 52 53.921 4.242 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 52 52.487 2.584 -11.236 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.942 4.156 -10.686 1.00 0.00 H new ATOM 809 N THR A 53 56.210 4.161 -14.200 1.00 0.00 N ATOM 810 CA THR A 53 57.081 3.238 -14.997 1.00 0.00 C ATOM 811 C THR A 53 58.131 2.582 -14.087 1.00 0.00 C ATOM 812 O THR A 53 58.500 3.137 -13.070 1.00 0.00 O ATOM 813 CB THR A 53 57.759 4.116 -16.064 1.00 0.00 C ATOM 814 OG1 THR A 53 57.779 5.474 -15.639 1.00 0.00 O ATOM 815 CG2 THR A 53 56.989 4.011 -17.384 1.00 0.00 C ATOM 0 H THR A 53 56.500 5.139 -14.205 1.00 0.00 H new ATOM 0 HA THR A 53 56.506 2.433 -15.454 1.00 0.00 H new ATOM 0 HB THR A 53 58.782 3.769 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.214 6.025 -16.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 57.472 4.634 -18.137 1.00 0.00 H new ATOM 0 HG22 THR A 53 56.983 2.974 -17.720 1.00 0.00 H new ATOM 0 HG23 THR A 53 55.964 4.350 -17.235 1.00 0.00 H new ATOM 823 N PRO A 54 58.583 1.415 -14.485 1.00 0.00 N ATOM 824 CA PRO A 54 59.599 0.675 -13.685 1.00 0.00 C ATOM 825 C PRO A 54 60.933 1.435 -13.669 1.00 0.00 C ATOM 826 O PRO A 54 61.524 1.632 -12.625 1.00 0.00 O ATOM 827 CB PRO A 54 59.715 -0.667 -14.407 1.00 0.00 C ATOM 828 CG PRO A 54 59.263 -0.388 -15.804 1.00 0.00 C ATOM 829 CD PRO A 54 58.208 0.681 -15.702 1.00 0.00 C ATOM 0 HA PRO A 54 59.323 0.556 -12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 54 60.740 -1.039 -14.389 1.00 0.00 H new ATOM 0 HB3 PRO A 54 59.092 -1.426 -13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 54 60.096 -0.054 -16.423 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.861 -1.288 -16.269 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.207 1.330 -16.578 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.209 0.253 -15.621 1.00 0.00 H new ATOM 837 N GLU A 55 61.399 1.882 -14.811 1.00 0.00 N ATOM 838 CA GLU A 55 62.684 2.651 -14.849 1.00 0.00 C ATOM 839 C GLU A 55 62.548 3.935 -14.016 1.00 0.00 C ATOM 840 O GLU A 55 63.505 4.412 -13.435 1.00 0.00 O ATOM 841 CB GLU A 55 62.914 2.984 -16.327 1.00 0.00 C ATOM 842 CG GLU A 55 64.246 2.382 -16.783 1.00 0.00 C ATOM 843 CD GLU A 55 64.255 2.244 -18.305 1.00 0.00 C ATOM 844 OE1 GLU A 55 63.724 1.261 -18.795 1.00 0.00 O ATOM 845 OE2 GLU A 55 64.795 3.124 -18.955 1.00 0.00 O ATOM 0 H GLU A 55 60.947 1.748 -15.716 1.00 0.00 H new ATOM 0 HA GLU A 55 63.518 2.086 -14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 55 62.098 2.589 -16.931 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.923 4.064 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 55 65.072 3.016 -16.461 1.00 0.00 H new ATOM 0 HG3 GLU A 55 64.393 1.407 -16.319 1.00 0.00 H new ATOM 852 N GLU A 56 61.358 4.486 -13.944 1.00 0.00 N ATOM 853 CA GLU A 56 61.144 5.727 -13.139 1.00 0.00 C ATOM 854 C GLU A 56 61.173 5.393 -11.639 1.00 0.00 C ATOM 855 O GLU A 56 61.815 6.075 -10.860 1.00 0.00 O ATOM 856 CB GLU A 56 59.762 6.238 -13.562 1.00 0.00 C ATOM 857 CG GLU A 56 59.352 7.435 -12.694 1.00 0.00 C ATOM 858 CD GLU A 56 58.220 7.021 -11.749 1.00 0.00 C ATOM 859 OE1 GLU A 56 57.124 6.788 -12.234 1.00 0.00 O ATOM 860 OE2 GLU A 56 58.468 6.946 -10.557 1.00 0.00 O ATOM 0 H GLU A 56 60.525 4.127 -14.410 1.00 0.00 H new ATOM 0 HA GLU A 56 61.919 6.475 -13.308 1.00 0.00 H new ATOM 0 HB2 GLU A 56 59.780 6.530 -14.612 1.00 0.00 H new ATOM 0 HB3 GLU A 56 59.026 5.440 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 56 60.207 7.790 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 56 59.027 8.261 -13.326 1.00 0.00 H new ATOM 867 N LEU A 57 60.492 4.347 -11.228 1.00 0.00 N ATOM 868 CA LEU A 57 60.492 3.975 -9.778 1.00 0.00 C ATOM 869 C LEU A 57 61.873 3.445 -9.349 1.00 0.00 C ATOM 870 O LEU A 57 62.181 3.403 -8.173 1.00 0.00 O ATOM 871 CB LEU A 57 59.424 2.883 -9.628 1.00 0.00 C ATOM 872 CG LEU A 57 58.055 3.420 -10.072 1.00 0.00 C ATOM 873 CD1 LEU A 57 57.147 2.250 -10.456 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.409 4.205 -8.925 1.00 0.00 C ATOM 0 H LEU A 57 59.939 3.739 -11.832 1.00 0.00 H new ATOM 0 HA LEU A 57 60.278 4.837 -9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.694 2.014 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.375 2.552 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 57 58.190 4.078 -10.931 1.00 0.00 H new ATOM 0 HD11 LEU A 57 56.176 2.631 -10.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.600 1.691 -11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 57 57.017 1.593 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.438 4.584 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.277 3.549 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 57 58.052 5.041 -8.649 1.00 0.00 H new ATOM 886 N GLN A 58 62.709 3.042 -10.287 1.00 0.00 N ATOM 887 CA GLN A 58 64.066 2.524 -9.923 1.00 0.00 C ATOM 888 C GLN A 58 64.802 3.527 -9.026 1.00 0.00 C ATOM 889 O GLN A 58 65.291 3.175 -7.970 1.00 0.00 O ATOM 890 CB GLN A 58 64.804 2.352 -11.255 1.00 0.00 C ATOM 891 CG GLN A 58 65.483 0.984 -11.281 1.00 0.00 C ATOM 892 CD GLN A 58 66.891 1.099 -10.690 1.00 0.00 C ATOM 893 OE1 GLN A 58 67.863 1.140 -11.415 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.043 1.156 -9.395 1.00 0.00 N ATOM 0 H GLN A 58 62.505 3.051 -11.286 1.00 0.00 H new ATOM 0 HA GLN A 58 64.008 1.588 -9.367 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.104 2.440 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 58 65.545 3.142 -11.378 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.896 0.264 -10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 58 65.536 0.612 -12.304 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.227 1.122 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.978 1.235 -8.994 1.00 0.00 H new ATOM 903 N GLU A 59 64.870 4.772 -9.434 1.00 0.00 N ATOM 904 CA GLU A 59 65.563 5.805 -8.598 1.00 0.00 C ATOM 905 C GLU A 59 64.933 5.862 -7.198 1.00 0.00 C ATOM 906 O GLU A 59 65.607 6.117 -6.218 1.00 0.00 O ATOM 907 CB GLU A 59 65.358 7.127 -9.342 1.00 0.00 C ATOM 908 CG GLU A 59 66.563 7.392 -10.252 1.00 0.00 C ATOM 909 CD GLU A 59 67.742 7.902 -9.417 1.00 0.00 C ATOM 910 OE1 GLU A 59 67.749 9.078 -9.095 1.00 0.00 O ATOM 911 OE2 GLU A 59 68.617 7.107 -9.117 1.00 0.00 O ATOM 0 H GLU A 59 64.476 5.118 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 59 66.621 5.583 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 64.444 7.086 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 59 65.240 7.943 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 59 66.844 6.477 -10.774 1.00 0.00 H new ATOM 0 HG3 GLU A 59 66.301 8.126 -11.014 1.00 0.00 H new ATOM 918 N MET A 60 63.648 5.605 -7.097 1.00 0.00 N ATOM 919 CA MET A 60 62.975 5.618 -5.760 1.00 0.00 C ATOM 920 C MET A 60 63.640 4.587 -4.836 1.00 0.00 C ATOM 921 O MET A 60 63.832 4.831 -3.661 1.00 0.00 O ATOM 922 CB MET A 60 61.516 5.238 -6.035 1.00 0.00 C ATOM 923 CG MET A 60 60.601 5.974 -5.051 1.00 0.00 C ATOM 924 SD MET A 60 60.426 7.700 -5.566 1.00 0.00 S ATOM 925 CE MET A 60 59.277 7.414 -6.933 1.00 0.00 C ATOM 0 H MET A 60 63.038 5.387 -7.885 1.00 0.00 H new ATOM 0 HA MET A 60 63.048 6.588 -5.268 1.00 0.00 H new ATOM 0 HB2 MET A 60 61.249 5.497 -7.060 1.00 0.00 H new ATOM 0 HB3 MET A 60 61.385 4.161 -5.934 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.624 5.493 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 60 61.016 5.924 -4.044 1.00 0.00 H new ATOM 0 HE1 MET A 60 59.821 7.439 -7.877 1.00 0.00 H new ATOM 0 HE2 MET A 60 58.804 6.439 -6.813 1.00 0.00 H new ATOM 0 HE3 MET A 60 58.512 8.191 -6.934 1.00 0.00 H new ATOM 935 N ILE A 61 64.013 3.444 -5.369 1.00 0.00 N ATOM 936 CA ILE A 61 64.690 2.405 -4.531 1.00 0.00 C ATOM 937 C ILE A 61 66.106 2.881 -4.176 1.00 0.00 C ATOM 938 O ILE A 61 66.555 2.728 -3.056 1.00 0.00 O ATOM 939 CB ILE A 61 64.738 1.139 -5.402 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.316 0.572 -5.543 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.656 0.096 -4.746 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.352 -0.800 -6.236 1.00 0.00 C ATOM 0 H ILE A 61 63.877 3.189 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 61 64.166 2.216 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 61 65.131 1.384 -6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.856 0.478 -4.559 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.698 1.261 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.689 -0.801 -5.365 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.661 0.506 -4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.270 -0.159 -3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.337 -1.188 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 61 63.792 -0.695 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.952 -1.491 -5.644 1.00 0.00 H new ATOM 954 N ASP A 62 66.804 3.467 -5.124 1.00 0.00 N ATOM 955 CA ASP A 62 68.191 3.970 -4.855 1.00 0.00 C ATOM 956 C ASP A 62 68.198 4.930 -3.655 1.00 0.00 C ATOM 957 O ASP A 62 69.161 4.996 -2.915 1.00 0.00 O ATOM 958 CB ASP A 62 68.603 4.716 -6.129 1.00 0.00 C ATOM 959 CG ASP A 62 68.931 3.713 -7.235 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.959 3.065 -7.134 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.149 3.611 -8.165 1.00 0.00 O ATOM 0 H ASP A 62 66.470 3.619 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 62 68.875 3.156 -4.614 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.797 5.376 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 62 69.470 5.346 -5.928 1.00 0.00 H new ATOM 966 N GLU A 63 67.128 5.671 -3.463 1.00 0.00 N ATOM 967 CA GLU A 63 67.055 6.632 -2.313 1.00 0.00 C ATOM 968 C GLU A 63 67.436 5.939 -0.995 1.00 0.00 C ATOM 969 O GLU A 63 68.171 6.483 -0.192 1.00 0.00 O ATOM 970 CB GLU A 63 65.594 7.092 -2.276 1.00 0.00 C ATOM 971 CG GLU A 63 65.533 8.575 -1.897 1.00 0.00 C ATOM 972 CD GLU A 63 65.541 8.719 -0.373 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.555 8.348 0.244 1.00 0.00 O ATOM 974 OE2 GLU A 63 66.533 9.198 0.150 1.00 0.00 O ATOM 0 H GLU A 63 66.299 5.650 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 63 67.747 7.465 -2.434 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.128 6.935 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 63 65.033 6.498 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.383 9.105 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.632 9.029 -2.310 1.00 0.00 H new ATOM 981 N VAL A 64 66.949 4.743 -0.770 1.00 0.00 N ATOM 982 CA VAL A 64 67.293 4.014 0.496 1.00 0.00 C ATOM 983 C VAL A 64 68.154 2.767 0.206 1.00 0.00 C ATOM 984 O VAL A 64 68.530 2.050 1.115 1.00 0.00 O ATOM 985 CB VAL A 64 65.945 3.617 1.124 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.162 4.879 1.503 1.00 0.00 C ATOM 987 CG2 VAL A 64 65.118 2.788 0.134 1.00 0.00 C ATOM 0 H VAL A 64 66.330 4.239 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 64 67.882 4.639 1.167 1.00 0.00 H new ATOM 0 HB VAL A 64 66.138 3.020 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.208 4.596 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.738 5.462 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.983 5.478 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 64 64.168 2.515 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.931 3.375 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.666 1.884 -0.130 1.00 0.00 H new ATOM 997 N ASP A 65 68.471 2.506 -1.044 1.00 0.00 N ATOM 998 CA ASP A 65 69.306 1.310 -1.385 1.00 0.00 C ATOM 999 C ASP A 65 70.807 1.655 -1.280 1.00 0.00 C ATOM 1000 O ASP A 65 71.381 1.590 -0.209 1.00 0.00 O ATOM 1001 CB ASP A 65 68.896 0.949 -2.825 1.00 0.00 C ATOM 1002 CG ASP A 65 69.596 -0.338 -3.274 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.049 -1.398 -3.035 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.662 -0.242 -3.857 1.00 0.00 O ATOM 0 H ASP A 65 68.186 3.073 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 65 69.148 0.473 -0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.815 0.821 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.155 1.765 -3.499 1.00 0.00 H new ATOM 1009 N GLU A 66 71.445 2.017 -2.377 1.00 0.00 N ATOM 1010 CA GLU A 66 72.907 2.361 -2.347 1.00 0.00 C ATOM 1011 C GLU A 66 73.727 1.257 -1.648 1.00 0.00 C ATOM 1012 O GLU A 66 74.699 1.536 -0.971 1.00 0.00 O ATOM 1013 CB GLU A 66 72.994 3.679 -1.567 1.00 0.00 C ATOM 1014 CG GLU A 66 74.104 4.553 -2.161 1.00 0.00 C ATOM 1015 CD GLU A 66 73.586 5.271 -3.410 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.038 6.351 -3.264 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.748 4.729 -4.491 1.00 0.00 O ATOM 0 H GLU A 66 71.010 2.088 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 66 73.318 2.452 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 66 72.040 4.204 -1.612 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.198 3.479 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.439 5.282 -1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.967 3.938 -2.416 1.00 0.00 H new ATOM 1024 N ASP A 67 73.347 0.010 -1.808 1.00 0.00 N ATOM 1025 CA ASP A 67 74.112 -1.099 -1.147 1.00 0.00 C ATOM 1026 C ASP A 67 74.739 -2.055 -2.183 1.00 0.00 C ATOM 1027 O ASP A 67 75.481 -2.952 -1.827 1.00 0.00 O ATOM 1028 CB ASP A 67 73.079 -1.825 -0.262 1.00 0.00 C ATOM 1029 CG ASP A 67 72.199 -2.770 -1.092 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.726 -2.359 -2.137 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.996 -3.891 -0.659 1.00 0.00 O ATOM 0 H ASP A 67 72.545 -0.287 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 67 74.950 -0.718 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.595 -2.392 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.452 -1.092 0.245 1.00 0.00 H new ATOM 1036 N GLY A 68 74.459 -1.875 -3.454 1.00 0.00 N ATOM 1037 CA GLY A 68 75.051 -2.779 -4.488 1.00 0.00 C ATOM 1038 C GLY A 68 73.965 -3.685 -5.086 1.00 0.00 C ATOM 1039 O GLY A 68 74.080 -4.135 -6.209 1.00 0.00 O ATOM 0 H GLY A 68 73.848 -1.143 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.515 -2.187 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.837 -3.388 -4.042 1.00 0.00 H new ATOM 1043 N SER A 69 72.916 -3.960 -4.347 1.00 0.00 N ATOM 1044 CA SER A 69 71.829 -4.843 -4.879 1.00 0.00 C ATOM 1045 C SER A 69 70.897 -4.055 -5.817 1.00 0.00 C ATOM 1046 O SER A 69 70.485 -4.557 -6.845 1.00 0.00 O ATOM 1047 CB SER A 69 71.081 -5.354 -3.634 1.00 0.00 C ATOM 1048 OG SER A 69 69.824 -4.693 -3.503 1.00 0.00 O ATOM 0 H SER A 69 72.766 -3.612 -3.400 1.00 0.00 H new ATOM 0 HA SER A 69 72.221 -5.668 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.927 -6.430 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.685 -5.181 -2.743 1.00 0.00 H new ATOM 0 HG SER A 69 69.359 -5.029 -2.708 1.00 0.00 H new ATOM 1054 N GLY A 70 70.556 -2.834 -5.471 1.00 0.00 N ATOM 1055 CA GLY A 70 69.644 -2.030 -6.345 1.00 0.00 C ATOM 1056 C GLY A 70 68.209 -2.558 -6.217 1.00 0.00 C ATOM 1057 O GLY A 70 67.407 -2.422 -7.121 1.00 0.00 O ATOM 0 H GLY A 70 70.870 -2.362 -4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.682 -0.979 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.973 -2.089 -7.383 1.00 0.00 H new ATOM 1061 N THR A 71 67.885 -3.156 -5.099 1.00 0.00 N ATOM 1062 CA THR A 71 66.506 -3.699 -4.891 1.00 0.00 C ATOM 1063 C THR A 71 66.067 -3.419 -3.453 1.00 0.00 C ATOM 1064 O THR A 71 66.882 -3.385 -2.553 1.00 0.00 O ATOM 1065 CB THR A 71 66.603 -5.217 -5.131 1.00 0.00 C ATOM 1066 OG1 THR A 71 67.843 -5.545 -5.750 1.00 0.00 O ATOM 1067 CG2 THR A 71 65.452 -5.665 -6.036 1.00 0.00 C ATOM 0 H THR A 71 68.522 -3.293 -4.314 1.00 0.00 H new ATOM 0 HA THR A 71 65.780 -3.241 -5.563 1.00 0.00 H new ATOM 0 HB THR A 71 66.541 -5.728 -4.170 1.00 0.00 H new ATOM 0 HG1 THR A 71 68.566 -5.476 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 71 65.520 -6.739 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.501 -5.433 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.515 -5.142 -6.990 1.00 0.00 H new ATOM 1075 N VAL A 72 64.792 -3.215 -3.227 1.00 0.00 N ATOM 1076 CA VAL A 72 64.316 -2.927 -1.836 1.00 0.00 C ATOM 1077 C VAL A 72 64.308 -4.210 -0.993 1.00 0.00 C ATOM 1078 O VAL A 72 63.552 -5.128 -1.252 1.00 0.00 O ATOM 1079 CB VAL A 72 62.888 -2.383 -1.993 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.223 -2.266 -0.617 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.928 -0.997 -2.642 1.00 0.00 C ATOM 0 H VAL A 72 64.063 -3.235 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 72 64.967 -2.216 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 72 62.319 -3.068 -2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.210 -1.880 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.184 -3.249 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.801 -1.586 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.912 -0.617 -2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.505 -0.318 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.396 -1.068 -3.624 1.00 0.00 H new ATOM 1091 N ASP A 73 65.133 -4.273 0.022 1.00 0.00 N ATOM 1092 CA ASP A 73 65.161 -5.492 0.893 1.00 0.00 C ATOM 1093 C ASP A 73 64.093 -5.355 1.991 1.00 0.00 C ATOM 1094 O ASP A 73 63.235 -4.493 1.922 1.00 0.00 O ATOM 1095 CB ASP A 73 66.569 -5.542 1.518 1.00 0.00 C ATOM 1096 CG ASP A 73 67.650 -5.159 0.497 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.574 -5.605 -0.638 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.545 -4.427 0.875 1.00 0.00 O ATOM 0 H ASP A 73 65.787 -3.536 0.286 1.00 0.00 H new ATOM 0 HA ASP A 73 64.952 -6.402 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.615 -4.864 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.764 -6.545 1.898 1.00 0.00 H new ATOM 1103 N PHE A 74 64.137 -6.181 3.011 1.00 0.00 N ATOM 1104 CA PHE A 74 63.120 -6.064 4.105 1.00 0.00 C ATOM 1105 C PHE A 74 63.434 -4.839 4.975 1.00 0.00 C ATOM 1106 O PHE A 74 62.623 -3.941 5.108 1.00 0.00 O ATOM 1107 CB PHE A 74 63.231 -7.355 4.925 1.00 0.00 C ATOM 1108 CG PHE A 74 62.384 -7.233 6.176 1.00 0.00 C ATOM 1109 CD1 PHE A 74 60.989 -7.153 6.073 1.00 0.00 C ATOM 1110 CD2 PHE A 74 62.994 -7.194 7.437 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.206 -7.034 7.228 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.209 -7.075 8.592 1.00 0.00 C ATOM 1113 CZ PHE A 74 60.815 -6.995 8.486 1.00 0.00 C ATOM 0 H PHE A 74 64.826 -6.924 3.133 1.00 0.00 H new ATOM 0 HA PHE A 74 62.111 -5.935 3.713 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.900 -8.206 4.330 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.271 -7.540 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.517 -7.183 5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.069 -7.256 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.131 -6.972 7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 74 62.679 -7.045 9.564 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.210 -6.903 9.376 1.00 0.00 H new ATOM 1123 N ASP A 75 64.611 -4.792 5.558 1.00 0.00 N ATOM 1124 CA ASP A 75 64.982 -3.620 6.411 1.00 0.00 C ATOM 1125 C ASP A 75 65.036 -2.343 5.561 1.00 0.00 C ATOM 1126 O ASP A 75 64.688 -1.273 6.020 1.00 0.00 O ATOM 1127 CB ASP A 75 66.360 -3.953 6.990 1.00 0.00 C ATOM 1128 CG ASP A 75 66.412 -3.503 8.452 1.00 0.00 C ATOM 1129 OD1 ASP A 75 65.774 -4.144 9.272 1.00 0.00 O ATOM 1130 OD2 ASP A 75 67.084 -2.524 8.725 1.00 0.00 O ATOM 0 H ASP A 75 65.327 -5.514 5.479 1.00 0.00 H new ATOM 0 HA ASP A 75 64.253 -3.441 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 75 66.548 -5.024 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.140 -3.454 6.415 1.00 0.00 H new ATOM 1135 N GLU A 76 65.441 -2.451 4.314 1.00 0.00 N ATOM 1136 CA GLU A 76 65.479 -1.240 3.435 1.00 0.00 C ATOM 1137 C GLU A 76 64.054 -0.691 3.284 1.00 0.00 C ATOM 1138 O GLU A 76 63.834 0.505 3.297 1.00 0.00 O ATOM 1139 CB GLU A 76 66.021 -1.728 2.089 1.00 0.00 C ATOM 1140 CG GLU A 76 66.954 -0.668 1.499 1.00 0.00 C ATOM 1141 CD GLU A 76 67.811 -1.293 0.400 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.273 -1.570 -0.655 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.994 -1.484 0.629 1.00 0.00 O ATOM 0 H GLU A 76 65.744 -3.319 3.872 1.00 0.00 H new ATOM 0 HA GLU A 76 66.101 -0.442 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 76 66.558 -2.668 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.197 -1.925 1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 76 66.371 0.159 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.592 -0.255 2.281 1.00 0.00 H new ATOM 1150 N PHE A 77 63.085 -1.569 3.174 1.00 0.00 N ATOM 1151 CA PHE A 77 61.663 -1.125 3.060 1.00 0.00 C ATOM 1152 C PHE A 77 61.260 -0.375 4.338 1.00 0.00 C ATOM 1153 O PHE A 77 60.564 0.621 4.288 1.00 0.00 O ATOM 1154 CB PHE A 77 60.862 -2.422 2.907 1.00 0.00 C ATOM 1155 CG PHE A 77 59.416 -2.109 2.589 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.064 -1.628 1.322 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.427 -2.309 3.561 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.725 -1.345 1.027 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.087 -2.027 3.264 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.737 -1.545 1.998 1.00 0.00 C ATOM 0 H PHE A 77 63.221 -2.580 3.158 1.00 0.00 H new ATOM 0 HA PHE A 77 61.491 -0.447 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.293 -3.032 2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 77 60.922 -3.005 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.826 -1.475 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.697 -2.680 4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.454 -0.972 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.324 -2.182 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.704 -1.327 1.770 1.00 0.00 H new ATOM 1170 N LEU A 78 61.717 -0.837 5.482 1.00 0.00 N ATOM 1171 CA LEU A 78 61.386 -0.143 6.768 1.00 0.00 C ATOM 1172 C LEU A 78 61.925 1.296 6.744 1.00 0.00 C ATOM 1173 O LEU A 78 61.294 2.206 7.248 1.00 0.00 O ATOM 1174 CB LEU A 78 62.088 -0.952 7.865 1.00 0.00 C ATOM 1175 CG LEU A 78 61.280 -2.211 8.187 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.215 -3.275 8.769 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.192 -1.876 9.209 1.00 0.00 C ATOM 0 H LEU A 78 62.305 -1.665 5.578 1.00 0.00 H new ATOM 0 HA LEU A 78 60.310 -0.086 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.091 -1.227 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.200 -0.343 8.762 1.00 0.00 H new ATOM 0 HG LEU A 78 60.815 -2.588 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 78 61.644 -4.174 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 78 62.991 -3.515 8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.677 -2.894 9.680 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.618 -2.774 9.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.654 -1.499 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.528 -1.116 8.798 1.00 0.00 H new ATOM 1189 N VAL A 79 63.080 1.509 6.147 1.00 0.00 N ATOM 1190 CA VAL A 79 63.647 2.897 6.077 1.00 0.00 C ATOM 1191 C VAL A 79 62.696 3.786 5.269 1.00 0.00 C ATOM 1192 O VAL A 79 62.400 4.900 5.652 1.00 0.00 O ATOM 1193 CB VAL A 79 65.006 2.772 5.369 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.691 4.141 5.343 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.903 1.786 6.124 1.00 0.00 C ATOM 0 H VAL A 79 63.650 0.786 5.708 1.00 0.00 H new ATOM 0 HA VAL A 79 63.767 3.344 7.064 1.00 0.00 H new ATOM 0 HB VAL A 79 64.844 2.412 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.655 4.056 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.064 4.852 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 79 65.843 4.491 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.863 1.704 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.061 2.144 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.424 0.807 6.154 1.00 0.00 H new ATOM 1205 N MET A 80 62.195 3.284 4.165 1.00 0.00 N ATOM 1206 CA MET A 80 61.236 4.081 3.342 1.00 0.00 C ATOM 1207 C MET A 80 59.940 4.301 4.140 1.00 0.00 C ATOM 1208 O MET A 80 59.325 5.349 4.063 1.00 0.00 O ATOM 1209 CB MET A 80 60.975 3.222 2.099 1.00 0.00 C ATOM 1210 CG MET A 80 59.955 3.912 1.190 1.00 0.00 C ATOM 1211 SD MET A 80 59.028 2.654 0.279 1.00 0.00 S ATOM 1212 CE MET A 80 60.242 2.384 -1.035 1.00 0.00 C ATOM 0 H MET A 80 62.410 2.356 3.800 1.00 0.00 H new ATOM 0 HA MET A 80 61.620 5.065 3.074 1.00 0.00 H new ATOM 0 HB2 MET A 80 61.907 3.060 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.604 2.241 2.396 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.275 4.524 1.784 1.00 0.00 H new ATOM 0 HG3 MET A 80 60.462 4.582 0.496 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.868 1.629 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.410 3.317 -1.573 1.00 0.00 H new ATOM 0 HE3 MET A 80 61.181 2.043 -0.599 1.00 0.00 H new ATOM 1222 N MET A 81 59.533 3.320 4.916 1.00 0.00 N ATOM 1223 CA MET A 81 58.288 3.462 5.735 1.00 0.00 C ATOM 1224 C MET A 81 58.411 4.667 6.678 1.00 0.00 C ATOM 1225 O MET A 81 57.564 5.539 6.686 1.00 0.00 O ATOM 1226 CB MET A 81 58.174 2.156 6.532 1.00 0.00 C ATOM 1227 CG MET A 81 57.104 1.255 5.905 1.00 0.00 C ATOM 1228 SD MET A 81 57.307 1.206 4.106 1.00 0.00 S ATOM 1229 CE MET A 81 55.602 1.628 3.671 1.00 0.00 C ATOM 0 H MET A 81 60.013 2.426 5.016 1.00 0.00 H new ATOM 0 HA MET A 81 57.406 3.632 5.117 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.135 1.641 6.543 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.917 2.373 7.569 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.180 0.248 6.315 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.111 1.627 6.157 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.165 0.820 3.084 1.00 0.00 H new ATOM 0 HE2 MET A 81 55.019 1.772 4.581 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.593 2.547 3.085 1.00 0.00 H new ATOM 1239 N VAL A 82 59.465 4.733 7.461 1.00 0.00 N ATOM 1240 CA VAL A 82 59.637 5.900 8.386 1.00 0.00 C ATOM 1241 C VAL A 82 59.949 7.178 7.582 1.00 0.00 C ATOM 1242 O VAL A 82 59.652 8.275 8.015 1.00 0.00 O ATOM 1243 CB VAL A 82 60.797 5.528 9.329 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.108 5.388 8.549 1.00 0.00 C ATOM 1245 CG2 VAL A 82 60.960 6.620 10.391 1.00 0.00 C ATOM 0 H VAL A 82 60.207 4.035 7.499 1.00 0.00 H new ATOM 0 HA VAL A 82 58.730 6.106 8.954 1.00 0.00 H new ATOM 0 HB VAL A 82 60.566 4.574 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.913 5.125 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.002 4.606 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 82 62.343 6.333 8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 82 61.780 6.358 11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 82 61.177 7.571 9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 82 60.038 6.709 10.966 1.00 0.00 H new ATOM 1255 N ARG A 83 60.531 7.041 6.412 1.00 0.00 N ATOM 1256 CA ARG A 83 60.847 8.245 5.578 1.00 0.00 C ATOM 1257 C ARG A 83 59.551 8.877 5.051 1.00 0.00 C ATOM 1258 O ARG A 83 59.374 10.079 5.105 1.00 0.00 O ATOM 1259 CB ARG A 83 61.702 7.721 4.419 1.00 0.00 C ATOM 1260 CG ARG A 83 63.169 7.653 4.853 1.00 0.00 C ATOM 1261 CD ARG A 83 63.982 6.895 3.801 1.00 0.00 C ATOM 1262 NE ARG A 83 65.400 7.292 4.051 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.034 8.025 3.181 1.00 0.00 C ATOM 1264 NH1 ARG A 83 65.557 9.188 2.838 1.00 0.00 N ATOM 1265 NH2 ARG A 83 67.147 7.600 2.660 1.00 0.00 N ATOM 0 H ARG A 83 60.800 6.148 6.000 1.00 0.00 H new ATOM 0 HA ARG A 83 61.368 9.014 6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.356 6.733 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.598 8.375 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.568 8.659 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.250 7.154 5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.850 5.818 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.669 7.162 2.792 1.00 0.00 H new ATOM 0 HE ARG A 83 65.872 6.989 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 83 64.687 9.524 3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.054 9.762 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 83 67.524 6.692 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.643 8.174 1.979 1.00 0.00 H new ATOM 1279 N CYS A 84 58.641 8.074 4.553 1.00 0.00 N ATOM 1280 CA CYS A 84 57.350 8.624 4.030 1.00 0.00 C ATOM 1281 C CYS A 84 56.235 8.481 5.082 1.00 0.00 C ATOM 1282 O CYS A 84 55.064 8.400 4.749 1.00 0.00 O ATOM 1283 CB CYS A 84 57.032 7.782 2.790 1.00 0.00 C ATOM 1284 SG CYS A 84 58.255 8.116 1.497 1.00 0.00 S ATOM 0 H CYS A 84 58.737 7.061 4.486 1.00 0.00 H new ATOM 0 HA CYS A 84 57.423 9.686 3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.039 6.723 3.046 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.031 8.015 2.427 1.00 0.00 H new ATOM 0 HG CYS A 84 57.984 7.399 0.447 1.00 0.00 H new ATOM 1290 N MET A 85 56.587 8.458 6.348 1.00 0.00 N ATOM 1291 CA MET A 85 55.550 8.329 7.421 1.00 0.00 C ATOM 1292 C MET A 85 54.824 9.669 7.636 1.00 0.00 C ATOM 1293 O MET A 85 53.693 9.700 8.081 1.00 0.00 O ATOM 1294 CB MET A 85 56.323 7.926 8.684 1.00 0.00 C ATOM 1295 CG MET A 85 55.829 6.563 9.178 1.00 0.00 C ATOM 1296 SD MET A 85 55.838 6.537 10.989 1.00 0.00 S ATOM 1297 CE MET A 85 57.453 5.750 11.203 1.00 0.00 C ATOM 0 H MET A 85 57.548 8.523 6.683 1.00 0.00 H new ATOM 0 HA MET A 85 54.786 7.597 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.391 7.881 8.470 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.185 8.677 9.462 1.00 0.00 H new ATOM 0 HG2 MET A 85 54.822 6.373 8.806 1.00 0.00 H new ATOM 0 HG3 MET A 85 56.468 5.770 8.789 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.530 5.347 12.213 1.00 0.00 H new ATOM 0 HE2 MET A 85 57.562 4.941 10.480 1.00 0.00 H new ATOM 0 HE3 MET A 85 58.241 6.487 11.045 1.00 0.00 H new ATOM 1475 N SER B 149 52.800 7.461 0.772 1.00 0.00 N ATOM 1476 CA SER B 149 53.182 7.419 2.218 1.00 0.00 C ATOM 1477 C SER B 149 53.066 5.984 2.753 1.00 0.00 C ATOM 1478 O SER B 149 52.531 5.109 2.096 1.00 0.00 O ATOM 1479 CB SER B 149 52.190 8.346 2.925 1.00 0.00 C ATOM 1480 OG SER B 149 50.887 7.774 2.878 1.00 0.00 O ATOM 0 HA SER B 149 54.212 7.735 2.382 1.00 0.00 H new ATOM 0 HB2 SER B 149 52.494 8.499 3.960 1.00 0.00 H new ATOM 0 HB3 SER B 149 52.186 9.325 2.446 1.00 0.00 H new ATOM 0 HG SER B 149 50.253 8.367 3.332 1.00 0.00 H new ATOM 1486 N ALA B 150 53.566 5.736 3.936 1.00 0.00 N ATOM 1487 CA ALA B 150 53.489 4.355 4.509 1.00 0.00 C ATOM 1488 C ALA B 150 52.064 4.039 4.985 1.00 0.00 C ATOM 1489 O ALA B 150 51.564 2.952 4.770 1.00 0.00 O ATOM 1490 CB ALA B 150 54.465 4.351 5.688 1.00 0.00 C ATOM 0 H ALA B 150 54.024 6.427 4.530 1.00 0.00 H new ATOM 0 HA ALA B 150 53.743 3.597 3.768 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.463 3.368 6.159 1.00 0.00 H new ATOM 0 HB2 ALA B 150 55.469 4.579 5.330 1.00 0.00 H new ATOM 0 HB3 ALA B 150 54.160 5.103 6.416 1.00 0.00 H new ATOM 1496 N ASP B 151 51.413 4.976 5.631 1.00 0.00 N ATOM 1497 CA ASP B 151 50.021 4.728 6.127 1.00 0.00 C ATOM 1498 C ASP B 151 49.066 4.429 4.956 1.00 0.00 C ATOM 1499 O ASP B 151 48.370 3.431 4.964 1.00 0.00 O ATOM 1500 CB ASP B 151 49.618 6.021 6.851 1.00 0.00 C ATOM 1501 CG ASP B 151 48.189 5.894 7.387 1.00 0.00 C ATOM 1502 OD1 ASP B 151 48.006 5.199 8.372 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.304 6.496 6.802 1.00 0.00 O ATOM 0 H ASP B 151 51.785 5.903 5.837 1.00 0.00 H new ATOM 0 HA ASP B 151 49.971 3.862 6.787 1.00 0.00 H new ATOM 0 HB2 ASP B 151 50.307 6.219 7.672 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.685 6.867 6.167 1.00 0.00 H new ATOM 1508 N ALA B 152 49.028 5.280 3.955 1.00 0.00 N ATOM 1509 CA ALA B 152 48.114 5.042 2.785 1.00 0.00 C ATOM 1510 C ALA B 152 48.317 3.632 2.203 1.00 0.00 C ATOM 1511 O ALA B 152 47.365 2.930 1.920 1.00 0.00 O ATOM 1512 CB ALA B 152 48.494 6.108 1.753 1.00 0.00 C ATOM 0 H ALA B 152 49.590 6.129 3.896 1.00 0.00 H new ATOM 0 HA ALA B 152 47.066 5.108 3.076 1.00 0.00 H new ATOM 0 HB1 ALA B 152 47.867 5.997 0.868 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.345 7.099 2.182 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.541 5.987 1.474 1.00 0.00 H new ATOM 1518 N MET B 153 49.548 3.215 2.024 1.00 0.00 N ATOM 1519 CA MET B 153 49.810 1.851 1.461 1.00 0.00 C ATOM 1520 C MET B 153 49.502 0.765 2.505 1.00 0.00 C ATOM 1521 O MET B 153 48.885 -0.237 2.198 1.00 0.00 O ATOM 1522 CB MET B 153 51.299 1.845 1.100 1.00 0.00 C ATOM 1523 CG MET B 153 51.487 1.216 -0.281 1.00 0.00 C ATOM 1524 SD MET B 153 53.177 1.516 -0.852 1.00 0.00 S ATOM 1525 CE MET B 153 52.773 1.899 -2.574 1.00 0.00 C ATOM 0 H MET B 153 50.382 3.759 2.243 1.00 0.00 H new ATOM 0 HA MET B 153 49.180 1.640 0.597 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.689 2.863 1.104 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.863 1.285 1.846 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.292 0.145 -0.235 1.00 0.00 H new ATOM 0 HG3 MET B 153 50.772 1.640 -0.986 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.563 1.524 -3.225 1.00 0.00 H new ATOM 0 HE2 MET B 153 51.828 1.426 -2.840 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.685 2.979 -2.696 1.00 0.00 H new ATOM 1535 N MET B 154 49.923 0.961 3.732 1.00 0.00 N ATOM 1536 CA MET B 154 49.654 -0.055 4.804 1.00 0.00 C ATOM 1537 C MET B 154 48.141 -0.268 4.975 1.00 0.00 C ATOM 1538 O MET B 154 47.685 -1.373 5.195 1.00 0.00 O ATOM 1539 CB MET B 154 50.265 0.548 6.075 1.00 0.00 C ATOM 1540 CG MET B 154 50.321 -0.506 7.185 1.00 0.00 C ATOM 1541 SD MET B 154 51.944 -1.306 7.173 1.00 0.00 S ATOM 1542 CE MET B 154 52.173 -1.389 8.966 1.00 0.00 C ATOM 0 H MET B 154 50.443 1.783 4.040 1.00 0.00 H new ATOM 0 HA MET B 154 50.080 -1.030 4.568 1.00 0.00 H new ATOM 0 HB2 MET B 154 51.268 0.919 5.865 1.00 0.00 H new ATOM 0 HB3 MET B 154 49.672 1.401 6.403 1.00 0.00 H new ATOM 0 HG2 MET B 154 50.140 -0.040 8.154 1.00 0.00 H new ATOM 0 HG3 MET B 154 49.536 -1.248 7.037 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.230 -1.533 9.192 1.00 0.00 H new ATOM 0 HE2 MET B 154 51.828 -0.460 9.420 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.599 -2.224 9.368 1.00 0.00 H new ATOM 1552 N GLN B 155 47.367 0.785 4.871 1.00 0.00 N ATOM 1553 CA GLN B 155 45.881 0.659 5.022 1.00 0.00 C ATOM 1554 C GLN B 155 45.278 -0.149 3.861 1.00 0.00 C ATOM 1555 O GLN B 155 44.366 -0.928 4.051 1.00 0.00 O ATOM 1556 CB GLN B 155 45.361 2.100 4.994 1.00 0.00 C ATOM 1557 CG GLN B 155 45.598 2.765 6.354 1.00 0.00 C ATOM 1558 CD GLN B 155 44.699 3.998 6.483 1.00 0.00 C ATOM 1559 OE1 GLN B 155 44.689 4.851 5.619 1.00 0.00 O ATOM 1560 NE2 GLN B 155 43.934 4.126 7.530 1.00 0.00 N ATOM 0 H GLN B 155 47.701 1.731 4.687 1.00 0.00 H new ATOM 0 HA GLN B 155 45.609 0.136 5.939 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.867 2.664 4.210 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.297 2.108 4.756 1.00 0.00 H new ATOM 0 HG2 GLN B 155 45.384 2.060 7.158 1.00 0.00 H new ATOM 0 HG3 GLN B 155 46.645 3.053 6.453 1.00 0.00 H new ATOM 0 HE21 GLN B 155 43.941 3.411 8.257 1.00 0.00 H new ATOM 0 HE22 GLN B 155 43.328 4.942 7.622 1.00 0.00 H new ATOM 1569 N ALA B 156 45.777 0.037 2.663 1.00 0.00 N ATOM 1570 CA ALA B 156 45.229 -0.715 1.489 1.00 0.00 C ATOM 1571 C ALA B 156 45.780 -2.151 1.449 1.00 0.00 C ATOM 1572 O ALA B 156 45.099 -3.071 1.038 1.00 0.00 O ATOM 1573 CB ALA B 156 45.697 0.076 0.264 1.00 0.00 C ATOM 0 H ALA B 156 46.541 0.678 2.447 1.00 0.00 H new ATOM 0 HA ALA B 156 44.144 -0.805 1.533 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.336 -0.410 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.302 1.091 0.313 1.00 0.00 H new ATOM 0 HB3 ALA B 156 46.786 0.111 0.248 1.00 0.00 H new ATOM 1579 N LEU B 157 47.009 -2.346 1.861 1.00 0.00 N ATOM 1580 CA LEU B 157 47.609 -3.719 1.837 1.00 0.00 C ATOM 1581 C LEU B 157 47.054 -4.589 2.978 1.00 0.00 C ATOM 1582 O LEU B 157 46.766 -5.756 2.790 1.00 0.00 O ATOM 1583 CB LEU B 157 49.114 -3.499 2.020 1.00 0.00 C ATOM 1584 CG LEU B 157 49.745 -3.103 0.681 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.080 -2.401 0.931 1.00 0.00 C ATOM 1586 CD2 LEU B 157 49.983 -4.354 -0.164 1.00 0.00 C ATOM 0 H LEU B 157 47.624 -1.613 2.214 1.00 0.00 H new ATOM 0 HA LEU B 157 47.375 -4.242 0.910 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.290 -2.719 2.761 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.581 -4.408 2.398 1.00 0.00 H new ATOM 0 HG LEU B 157 49.071 -2.429 0.152 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.527 -2.120 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.914 -1.507 1.532 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.752 -3.075 1.462 1.00 0.00 H new ATOM 0 HD21 LEU B 157 50.432 -4.070 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU B 157 50.654 -5.029 0.367 1.00 0.00 H new ATOM 0 HD23 LEU B 157 49.033 -4.856 -0.346 1.00 0.00 H new ATOM 1598 N LEU B 158 46.915 -4.039 4.158 1.00 0.00 N ATOM 1599 CA LEU B 158 46.392 -4.846 5.308 1.00 0.00 C ATOM 1600 C LEU B 158 44.871 -4.691 5.440 1.00 0.00 C ATOM 1601 O LEU B 158 44.272 -3.808 4.856 1.00 0.00 O ATOM 1602 CB LEU B 158 47.096 -4.285 6.548 1.00 0.00 C ATOM 1603 CG LEU B 158 48.604 -4.542 6.458 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.302 -3.901 7.659 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.872 -6.051 6.462 1.00 0.00 C ATOM 0 H LEU B 158 47.140 -3.068 4.377 1.00 0.00 H new ATOM 0 HA LEU B 158 46.586 -5.910 5.172 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.906 -3.215 6.631 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.693 -4.751 7.447 1.00 0.00 H new ATOM 0 HG LEU B 158 48.989 -4.108 5.535 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.375 -4.083 7.596 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.116 -2.827 7.658 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.914 -4.335 8.580 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.945 -6.230 6.398 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.486 -6.487 7.383 1.00 0.00 H new ATOM 0 HD23 LEU B 158 48.376 -6.511 5.607 1.00 0.00 H new