USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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: C 45 MET CE :methyl 163:sc= -0.0788 (180deg=-0.657) USER MOD Set 1.2: C 50 GLN : amide:sc= 0 K(o=-0.079,f=-0.68) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.13) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -11.1! C(o=-11!,f=-12!) USER MOD Single : C 17 LYS NZ :NH3+ -164:sc= 0.126 (180deg=0.0523) USER MOD Single : C 18 ASN : amide:sc= -0.523 K(o=-0.52,f=-1.7!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot -84:sc= 0.479 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.402! USER MOD Single : C 39 LYS NZ :NH3+ -103:sc= -0.19 (180deg=-0.761) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -135:sc= -8.78! (180deg=-13.2!) USER MOD Single : C 51 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.082) USER MOD Single : C 53 THR OG1 : rot 84:sc= 0.0691 USER MOD Single : C 58 GLN : amide:sc= -1.61 K(o=-1.6,f=-7.3!) USER MOD Single : C 60 MET CE :methyl 153:sc= -0.173 (180deg=-0.676) USER MOD Single : C 69 SER OG : rot -170:sc= -2.19 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0 USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 158:sc= -0.0705 (180deg=-0.915) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl -139:sc= -1.55 (180deg=-5.97!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 170:sc= -2.93! (180deg=-3.85!) USER MOD Single : I 154 MET CE :methyl -167:sc= 0 (180deg=-0.309) USER MOD Single : I 155 GLN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 90.304 -15.256 0.795 1.00 0.00 N ATOM 64 CA TYR C 5 89.583 -14.036 1.146 1.00 0.00 C ATOM 65 C TYR C 5 88.267 -14.392 1.827 1.00 0.00 C ATOM 66 O TYR C 5 87.874 -13.778 2.819 1.00 0.00 O ATOM 67 CB TYR C 5 89.283 -13.205 -0.105 1.00 0.00 C ATOM 68 CG TYR C 5 90.562 -12.608 -0.638 1.00 0.00 C ATOM 69 CD1 TYR C 5 91.394 -13.367 -1.468 1.00 0.00 C ATOM 70 CD2 TYR C 5 90.915 -11.295 -0.303 1.00 0.00 C ATOM 71 CE1 TYR C 5 92.581 -12.815 -1.963 1.00 0.00 C ATOM 72 CE2 TYR C 5 92.102 -10.742 -0.798 1.00 0.00 C ATOM 73 CZ TYR C 5 92.935 -11.502 -1.629 1.00 0.00 C ATOM 74 OH TYR C 5 94.105 -10.956 -2.117 1.00 0.00 O ATOM 0 HA TYR C 5 90.209 -13.453 1.822 1.00 0.00 H new ATOM 0 HB2 TYR C 5 88.818 -13.831 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR C 5 88.573 -12.413 0.134 1.00 0.00 H new ATOM 0 HD1 TYR C 5 91.120 -14.379 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR C 5 90.272 -10.709 0.337 1.00 0.00 H new ATOM 0 HE1 TYR C 5 93.224 -13.402 -2.603 1.00 0.00 H new ATOM 0 HE2 TYR C 5 92.375 -9.730 -0.539 1.00 0.00 H new ATOM 0 HH TYR C 5 94.198 -10.037 -1.790 1.00 0.00 H new ATOM 84 N LYS C 6 87.594 -15.401 1.279 1.00 0.00 N ATOM 85 CA LYS C 6 86.322 -15.849 1.836 1.00 0.00 C ATOM 86 C LYS C 6 86.442 -16.016 3.345 1.00 0.00 C ATOM 87 O LYS C 6 85.588 -15.562 4.106 1.00 0.00 O ATOM 88 CB LYS C 6 85.905 -17.185 1.215 1.00 0.00 C ATOM 89 CG LYS C 6 85.358 -16.946 -0.194 1.00 0.00 C ATOM 90 CD LYS C 6 84.014 -16.222 -0.105 1.00 0.00 C ATOM 91 CE LYS C 6 83.295 -16.307 -1.453 1.00 0.00 C ATOM 92 NZ LYS C 6 82.277 -17.396 -1.409 1.00 0.00 N ATOM 0 H LYS C 6 87.905 -15.919 0.457 1.00 0.00 H new ATOM 0 HA LYS C 6 85.566 -15.097 1.609 1.00 0.00 H new ATOM 0 HB2 LYS C 6 86.759 -17.861 1.175 1.00 0.00 H new ATOM 0 HB3 LYS C 6 85.147 -17.665 1.834 1.00 0.00 H new ATOM 0 HG2 LYS C 6 86.065 -16.352 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS C 6 85.237 -17.896 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS C 6 83.399 -16.670 0.675 1.00 0.00 H new ATOM 0 HD3 LYS C 6 84.169 -15.179 0.171 1.00 0.00 H new ATOM 0 HE2 LYS C 6 82.815 -15.355 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS C 6 84.014 -16.500 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 81.789 -17.453 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 82.747 -18.302 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 81.584 -17.194 -0.660 1.00 0.00 H new ATOM 106 N ALA C 7 87.520 -16.671 3.769 1.00 0.00 N ATOM 107 CA ALA C 7 87.754 -16.892 5.193 1.00 0.00 C ATOM 108 C ALA C 7 87.988 -15.560 5.897 1.00 0.00 C ATOM 109 O ALA C 7 87.357 -15.257 6.909 1.00 0.00 O ATOM 110 CB ALA C 7 88.973 -17.792 5.403 1.00 0.00 C ATOM 0 H ALA C 7 88.238 -17.054 3.154 1.00 0.00 H new ATOM 0 HA ALA C 7 86.873 -17.379 5.612 1.00 0.00 H new ATOM 0 HB1 ALA C 7 89.132 -17.946 6.470 1.00 0.00 H new ATOM 0 HB2 ALA C 7 88.803 -18.754 4.919 1.00 0.00 H new ATOM 0 HB3 ALA C 7 89.854 -17.319 4.969 1.00 0.00 H new ATOM 116 N ALA C 8 88.901 -14.764 5.345 1.00 0.00 N ATOM 117 CA ALA C 8 89.208 -13.460 5.924 1.00 0.00 C ATOM 118 C ALA C 8 87.937 -12.625 6.037 1.00 0.00 C ATOM 119 O ALA C 8 87.799 -11.792 6.933 1.00 0.00 O ATOM 120 CB ALA C 8 90.222 -12.713 5.055 1.00 0.00 C ATOM 0 H ALA C 8 89.435 -14.996 4.508 1.00 0.00 H new ATOM 0 HA ALA C 8 89.632 -13.618 6.915 1.00 0.00 H new ATOM 0 HB1 ALA C 8 90.439 -11.743 5.502 1.00 0.00 H new ATOM 0 HB2 ALA C 8 91.141 -13.295 4.987 1.00 0.00 H new ATOM 0 HB3 ALA C 8 89.809 -12.568 4.057 1.00 0.00 H new ATOM 126 N VAL C 9 87.009 -12.861 5.115 1.00 0.00 N ATOM 127 CA VAL C 9 85.745 -12.131 5.113 1.00 0.00 C ATOM 128 C VAL C 9 84.726 -12.830 6.006 1.00 0.00 C ATOM 129 O VAL C 9 83.797 -12.207 6.520 1.00 0.00 O ATOM 130 CB VAL C 9 85.184 -12.038 3.693 1.00 0.00 C ATOM 131 CG1 VAL C 9 83.753 -11.500 3.741 1.00 0.00 C ATOM 132 CG2 VAL C 9 86.057 -11.092 2.864 1.00 0.00 C ATOM 0 H VAL C 9 87.106 -13.546 4.365 1.00 0.00 H new ATOM 0 HA VAL C 9 85.934 -11.128 5.494 1.00 0.00 H new ATOM 0 HB VAL C 9 85.183 -13.028 3.237 1.00 0.00 H new ATOM 0 HG11 VAL C 9 83.355 -11.434 2.728 1.00 0.00 H new ATOM 0 HG12 VAL C 9 83.131 -12.172 4.333 1.00 0.00 H new ATOM 0 HG13 VAL C 9 83.752 -10.510 4.196 1.00 0.00 H new ATOM 0 HG21 VAL C 9 85.660 -11.024 1.851 1.00 0.00 H new ATOM 0 HG22 VAL C 9 86.057 -10.103 3.321 1.00 0.00 H new ATOM 0 HG23 VAL C 9 87.077 -11.475 2.828 1.00 0.00 H new ATOM 142 N GLU C 10 84.912 -14.134 6.185 1.00 0.00 N ATOM 143 CA GLU C 10 84.004 -14.914 7.019 1.00 0.00 C ATOM 144 C GLU C 10 84.447 -14.842 8.474 1.00 0.00 C ATOM 145 O GLU C 10 83.648 -15.012 9.396 1.00 0.00 O ATOM 146 CB GLU C 10 83.987 -16.377 6.572 1.00 0.00 C ATOM 147 CG GLU C 10 83.296 -16.489 5.212 1.00 0.00 C ATOM 148 CD GLU C 10 81.802 -16.717 5.418 1.00 0.00 C ATOM 149 OE1 GLU C 10 81.332 -16.482 6.519 1.00 0.00 O ATOM 150 OE2 GLU C 10 81.150 -17.125 4.471 1.00 0.00 O ATOM 0 H GLU C 10 85.675 -14.668 5.769 1.00 0.00 H new ATOM 0 HA GLU C 10 83.002 -14.498 6.917 1.00 0.00 H new ATOM 0 HB2 GLU C 10 85.005 -16.760 6.507 1.00 0.00 H new ATOM 0 HB3 GLU C 10 83.464 -16.987 7.309 1.00 0.00 H new ATOM 0 HG2 GLU C 10 83.460 -15.580 4.633 1.00 0.00 H new ATOM 0 HG3 GLU C 10 83.725 -17.312 4.641 1.00 0.00 H new ATOM 157 N GLN C 11 85.735 -14.579 8.664 1.00 0.00 N ATOM 158 CA GLN C 11 86.295 -14.473 10.006 1.00 0.00 C ATOM 159 C GLN C 11 85.617 -13.344 10.772 1.00 0.00 C ATOM 160 O GLN C 11 85.339 -13.459 11.965 1.00 0.00 O ATOM 161 CB GLN C 11 87.792 -14.176 9.929 1.00 0.00 C ATOM 162 CG GLN C 11 88.523 -15.364 9.300 1.00 0.00 C ATOM 163 CD GLN C 11 89.347 -16.074 10.367 1.00 0.00 C ATOM 164 OE1 GLN C 11 90.427 -16.593 10.084 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.899 -16.126 11.592 1.00 0.00 N ATOM 0 H GLN C 11 86.408 -14.436 7.911 1.00 0.00 H new ATOM 0 HA GLN C 11 86.130 -15.420 10.520 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.964 -13.277 9.338 1.00 0.00 H new ATOM 0 HB3 GLN C 11 88.186 -13.982 10.927 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.805 -16.055 8.860 1.00 0.00 H new ATOM 0 HG3 GLN C 11 89.171 -15.021 8.493 1.00 0.00 H new ATOM 0 HE21 GLN C 11 88.004 -15.696 11.826 1.00 0.00 H new ATOM 0 HE22 GLN C 11 89.444 -16.597 12.315 1.00 0.00 H new ATOM 174 N LEU C 12 85.366 -12.246 10.066 1.00 0.00 N ATOM 175 CA LEU C 12 84.730 -11.084 10.677 1.00 0.00 C ATOM 176 C LEU C 12 83.397 -11.463 11.313 1.00 0.00 C ATOM 177 O LEU C 12 82.645 -12.278 10.779 1.00 0.00 O ATOM 178 CB LEU C 12 84.480 -9.995 9.629 1.00 0.00 C ATOM 179 CG LEU C 12 85.755 -9.741 8.822 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.623 -8.416 8.071 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.958 -9.672 9.767 1.00 0.00 C ATOM 0 H LEU C 12 85.591 -12.136 9.077 1.00 0.00 H new ATOM 0 HA LEU C 12 85.405 -10.709 11.447 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.673 -10.299 8.963 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.160 -9.075 10.118 1.00 0.00 H new ATOM 0 HG LEU C 12 85.901 -10.554 8.110 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.530 -8.232 7.495 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.768 -8.464 7.396 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.477 -7.606 8.785 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.864 -9.491 9.189 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.814 -8.861 10.480 1.00 0.00 H new ATOM 0 HD23 LEU C 12 87.053 -10.615 10.305 1.00 0.00 H new ATOM 193 N THR C 13 83.108 -10.846 12.457 1.00 0.00 N ATOM 194 CA THR C 13 81.855 -11.106 13.159 1.00 0.00 C ATOM 195 C THR C 13 80.837 -10.025 12.811 1.00 0.00 C ATOM 196 O THR C 13 81.158 -9.051 12.131 1.00 0.00 O ATOM 197 CB THR C 13 82.078 -11.114 14.674 1.00 0.00 C ATOM 198 OG1 THR C 13 83.406 -11.537 14.951 1.00 0.00 O ATOM 199 CG2 THR C 13 81.087 -12.074 15.335 1.00 0.00 C ATOM 0 H THR C 13 83.719 -10.169 12.914 1.00 0.00 H new ATOM 0 HA THR C 13 81.482 -12.082 12.849 1.00 0.00 H new ATOM 0 HB THR C 13 81.924 -10.110 15.069 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.552 -11.542 15.920 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.248 -12.078 16.413 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.069 -11.750 15.121 1.00 0.00 H new ATOM 0 HG23 THR C 13 81.237 -13.080 14.942 1.00 0.00 H new ATOM 207 N GLU C 14 79.606 -10.204 13.279 1.00 0.00 N ATOM 208 CA GLU C 14 78.554 -9.230 13.002 1.00 0.00 C ATOM 209 C GLU C 14 78.930 -7.858 13.554 1.00 0.00 C ATOM 210 O GLU C 14 78.317 -6.847 13.212 1.00 0.00 O ATOM 211 CB GLU C 14 77.232 -9.672 13.630 1.00 0.00 C ATOM 212 CG GLU C 14 76.148 -9.709 12.554 1.00 0.00 C ATOM 213 CD GLU C 14 76.238 -11.024 11.788 1.00 0.00 C ATOM 214 OE1 GLU C 14 76.322 -12.057 12.431 1.00 0.00 O ATOM 215 OE2 GLU C 14 76.223 -10.979 10.569 1.00 0.00 O ATOM 0 H GLU C 14 79.314 -11.002 13.844 1.00 0.00 H new ATOM 0 HA GLU C 14 78.439 -9.166 11.920 1.00 0.00 H new ATOM 0 HB2 GLU C 14 77.343 -10.657 14.084 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.947 -8.984 14.426 1.00 0.00 H new ATOM 0 HG2 GLU C 14 75.163 -9.608 13.011 1.00 0.00 H new ATOM 0 HG3 GLU C 14 76.270 -8.869 11.871 1.00 0.00 H new ATOM 222 N GLU C 15 79.944 -7.835 14.414 1.00 0.00 N ATOM 223 CA GLU C 15 80.393 -6.580 15.011 1.00 0.00 C ATOM 224 C GLU C 15 81.023 -5.674 13.957 1.00 0.00 C ATOM 225 O GLU C 15 80.460 -4.643 13.589 1.00 0.00 O ATOM 226 CB GLU C 15 81.420 -6.847 16.113 1.00 0.00 C ATOM 227 CG GLU C 15 80.877 -7.909 17.071 1.00 0.00 C ATOM 228 CD GLU C 15 81.511 -7.727 18.446 1.00 0.00 C ATOM 229 OE1 GLU C 15 81.454 -6.622 18.961 1.00 0.00 O ATOM 230 OE2 GLU C 15 82.044 -8.694 18.964 1.00 0.00 O ATOM 0 H GLU C 15 80.465 -8.660 14.711 1.00 0.00 H new ATOM 0 HA GLU C 15 79.520 -6.085 15.437 1.00 0.00 H new ATOM 0 HB2 GLU C 15 82.360 -7.184 15.675 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.633 -5.927 16.657 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.793 -7.826 17.145 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.095 -8.906 16.687 1.00 0.00 H new ATOM 237 N GLN C 16 82.201 -6.066 13.480 1.00 0.00 N ATOM 238 CA GLN C 16 82.903 -5.275 12.473 1.00 0.00 C ATOM 239 C GLN C 16 82.064 -5.181 11.197 1.00 0.00 C ATOM 240 O GLN C 16 81.896 -4.105 10.632 1.00 0.00 O ATOM 241 CB GLN C 16 84.295 -5.889 12.189 1.00 0.00 C ATOM 242 CG GLN C 16 84.453 -6.293 10.715 1.00 0.00 C ATOM 243 CD GLN C 16 85.930 -6.516 10.408 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.618 -7.239 11.127 1.00 0.00 O ATOM 245 NE2 GLN C 16 86.463 -5.927 9.373 1.00 0.00 N ATOM 0 H GLN C 16 82.685 -6.916 13.770 1.00 0.00 H new ATOM 0 HA GLN C 16 83.053 -4.264 12.851 1.00 0.00 H new ATOM 0 HB2 GLN C 16 85.070 -5.169 12.453 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.442 -6.763 12.823 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.887 -7.202 10.513 1.00 0.00 H new ATOM 0 HG3 GLN C 16 84.049 -5.515 10.068 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.892 -5.328 8.777 1.00 0.00 H new ATOM 0 HE22 GLN C 16 87.451 -6.066 9.160 1.00 0.00 H new ATOM 254 N LYS C 17 81.542 -6.320 10.750 1.00 0.00 N ATOM 255 CA LYS C 17 80.724 -6.347 9.540 1.00 0.00 C ATOM 256 C LYS C 17 79.841 -5.104 9.454 1.00 0.00 C ATOM 257 O LYS C 17 79.629 -4.549 8.376 1.00 0.00 O ATOM 258 CB LYS C 17 79.832 -7.589 9.530 1.00 0.00 C ATOM 259 CG LYS C 17 80.701 -8.842 9.405 1.00 0.00 C ATOM 260 CD LYS C 17 81.220 -8.959 7.972 1.00 0.00 C ATOM 261 CE LYS C 17 80.282 -9.857 7.161 1.00 0.00 C ATOM 262 NZ LYS C 17 80.912 -11.195 6.976 1.00 0.00 N ATOM 0 H LYS C 17 81.668 -7.226 11.201 1.00 0.00 H new ATOM 0 HA LYS C 17 81.397 -6.370 8.683 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.242 -7.633 10.445 1.00 0.00 H new ATOM 0 HB3 LYS C 17 79.128 -7.537 8.699 1.00 0.00 H new ATOM 0 HG2 LYS C 17 81.537 -8.790 10.103 1.00 0.00 H new ATOM 0 HG3 LYS C 17 80.122 -9.727 9.667 1.00 0.00 H new ATOM 0 HD2 LYS C 17 81.281 -7.972 7.514 1.00 0.00 H new ATOM 0 HD3 LYS C 17 82.228 -9.374 7.972 1.00 0.00 H new ATOM 0 HE2 LYS C 17 79.326 -9.961 7.675 1.00 0.00 H new ATOM 0 HE3 LYS C 17 80.075 -9.404 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 80.421 -11.708 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 81.913 -11.075 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.842 -11.737 7.861 1.00 0.00 H new ATOM 276 N ASN C 18 79.326 -4.676 10.603 1.00 0.00 N ATOM 277 CA ASN C 18 78.460 -3.499 10.648 1.00 0.00 C ATOM 278 C ASN C 18 79.196 -2.267 10.127 1.00 0.00 C ATOM 279 O ASN C 18 78.615 -1.419 9.450 1.00 0.00 O ATOM 280 CB ASN C 18 77.995 -3.233 12.081 1.00 0.00 C ATOM 281 CG ASN C 18 76.876 -4.204 12.439 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.083 -4.592 11.581 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.761 -4.625 13.669 1.00 0.00 N ATOM 0 H ASN C 18 79.490 -5.120 11.507 1.00 0.00 H new ATOM 0 HA ASN C 18 77.595 -3.696 10.014 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.829 -3.351 12.773 1.00 0.00 H new ATOM 0 HB3 ASN C 18 77.644 -2.205 12.176 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.015 -5.274 13.918 1.00 0.00 H new ATOM 0 HD22 ASN C 18 77.417 -4.305 14.381 1.00 0.00 H new ATOM 290 N GLU C 19 80.481 -2.178 10.454 1.00 0.00 N ATOM 291 CA GLU C 19 81.296 -1.048 10.021 1.00 0.00 C ATOM 292 C GLU C 19 81.147 -0.819 8.516 1.00 0.00 C ATOM 293 O GLU C 19 80.906 0.301 8.064 1.00 0.00 O ATOM 294 CB GLU C 19 82.775 -1.291 10.371 1.00 0.00 C ATOM 295 CG GLU C 19 83.467 -2.110 9.275 1.00 0.00 C ATOM 296 CD GLU C 19 84.940 -2.290 9.626 1.00 0.00 C ATOM 297 OE1 GLU C 19 85.248 -3.229 10.341 1.00 0.00 O ATOM 298 OE2 GLU C 19 85.739 -1.485 9.175 1.00 0.00 O ATOM 0 H GLU C 19 80.979 -2.870 11.014 1.00 0.00 H new ATOM 0 HA GLU C 19 80.949 -0.157 10.544 1.00 0.00 H new ATOM 0 HB2 GLU C 19 83.286 -0.336 10.495 1.00 0.00 H new ATOM 0 HB3 GLU C 19 82.846 -1.816 11.323 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.985 -3.082 9.174 1.00 0.00 H new ATOM 0 HG3 GLU C 19 83.371 -1.605 8.314 1.00 0.00 H new ATOM 305 N PHE C 20 81.295 -1.894 7.750 1.00 0.00 N ATOM 306 CA PHE C 20 81.180 -1.806 6.296 1.00 0.00 C ATOM 307 C PHE C 20 79.745 -1.490 5.889 1.00 0.00 C ATOM 308 O PHE C 20 79.504 -0.705 4.972 1.00 0.00 O ATOM 309 CB PHE C 20 81.603 -3.124 5.644 1.00 0.00 C ATOM 310 CG PHE C 20 83.107 -3.241 5.675 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.903 -2.145 5.321 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.707 -4.447 6.057 1.00 0.00 C ATOM 313 CE1 PHE C 20 85.298 -2.254 5.351 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.102 -4.556 6.087 1.00 0.00 C ATOM 315 CZ PHE C 20 85.898 -3.459 5.734 1.00 0.00 C ATOM 0 H PHE C 20 81.493 -2.829 8.106 1.00 0.00 H new ATOM 0 HA PHE C 20 81.837 -1.005 5.957 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.151 -3.964 6.171 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.246 -3.164 4.615 1.00 0.00 H new ATOM 0 HD1 PHE C 20 83.440 -1.215 5.025 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.093 -5.293 6.329 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.912 -1.408 5.079 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.565 -5.486 6.382 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.974 -3.543 5.757 1.00 0.00 H new ATOM 325 N LYS C 21 78.795 -2.109 6.581 1.00 0.00 N ATOM 326 CA LYS C 21 77.384 -1.885 6.281 1.00 0.00 C ATOM 327 C LYS C 21 77.044 -0.403 6.412 1.00 0.00 C ATOM 328 O LYS C 21 76.398 0.179 5.540 1.00 0.00 O ATOM 329 CB LYS C 21 76.502 -2.698 7.229 1.00 0.00 C ATOM 330 CG LYS C 21 77.014 -4.140 7.283 1.00 0.00 C ATOM 331 CD LYS C 21 75.885 -5.099 6.900 1.00 0.00 C ATOM 332 CE LYS C 21 76.400 -6.539 6.950 1.00 0.00 C ATOM 333 NZ LYS C 21 75.267 -7.465 7.236 1.00 0.00 N ATOM 0 H LYS C 21 78.972 -2.762 7.344 1.00 0.00 H new ATOM 0 HA LYS C 21 77.196 -2.206 5.256 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.516 -2.257 8.226 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.467 -2.680 6.887 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.856 -4.263 6.602 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.377 -4.371 8.285 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.044 -4.978 7.583 1.00 0.00 H new ATOM 0 HD3 LYS C 21 75.520 -4.867 5.900 1.00 0.00 H new ATOM 0 HE2 LYS C 21 76.867 -6.802 6.001 1.00 0.00 H new ATOM 0 HE3 LYS C 21 77.165 -6.636 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.618 -8.443 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 74.840 -7.219 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.551 -7.380 6.486 1.00 0.00 H new ATOM 347 N ALA C 22 77.495 0.207 7.506 1.00 0.00 N ATOM 348 CA ALA C 22 77.240 1.628 7.729 1.00 0.00 C ATOM 349 C ALA C 22 77.768 2.439 6.554 1.00 0.00 C ATOM 350 O ALA C 22 77.063 3.277 5.992 1.00 0.00 O ATOM 351 CB ALA C 22 77.922 2.105 9.012 1.00 0.00 C ATOM 0 H ALA C 22 78.031 -0.252 8.242 1.00 0.00 H new ATOM 0 HA ALA C 22 76.164 1.770 7.824 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.719 3.166 9.159 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.536 1.541 9.861 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.998 1.949 8.932 1.00 0.00 H new ATOM 357 N ALA C 23 79.017 2.173 6.183 1.00 0.00 N ATOM 358 CA ALA C 23 79.632 2.879 5.065 1.00 0.00 C ATOM 359 C ALA C 23 78.908 2.534 3.769 1.00 0.00 C ATOM 360 O ALA C 23 78.857 3.333 2.834 1.00 0.00 O ATOM 361 CB ALA C 23 81.105 2.499 4.930 1.00 0.00 C ATOM 0 H ALA C 23 79.617 1.482 6.634 1.00 0.00 H new ATOM 0 HA ALA C 23 79.556 3.949 5.257 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.544 3.037 4.090 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.634 2.762 5.846 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.190 1.426 4.758 1.00 0.00 H new ATOM 367 N PHE C 24 78.341 1.332 3.728 1.00 0.00 N ATOM 368 CA PHE C 24 77.611 0.884 2.547 1.00 0.00 C ATOM 369 C PHE C 24 76.472 1.851 2.242 1.00 0.00 C ATOM 370 O PHE C 24 76.058 2.009 1.094 1.00 0.00 O ATOM 371 CB PHE C 24 77.028 -0.512 2.779 1.00 0.00 C ATOM 372 CG PHE C 24 77.724 -1.512 1.888 1.00 0.00 C ATOM 373 CD1 PHE C 24 77.495 -1.498 0.507 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.595 -2.457 2.444 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.138 -2.429 -0.318 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.237 -3.388 1.619 1.00 0.00 C ATOM 377 CZ PHE C 24 79.009 -3.374 0.237 1.00 0.00 C ATOM 0 H PHE C 24 78.372 0.656 4.491 1.00 0.00 H new ATOM 0 HA PHE C 24 78.304 0.852 1.706 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.148 -0.797 3.824 1.00 0.00 H new ATOM 0 HB3 PHE C 24 75.958 -0.508 2.571 1.00 0.00 H new ATOM 0 HD1 PHE C 24 76.823 -0.770 0.078 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.771 -2.468 3.509 1.00 0.00 H new ATOM 0 HE1 PHE C 24 77.962 -2.418 -1.383 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.908 -4.117 2.048 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.505 -4.092 -0.400 1.00 0.00 H new ATOM 387 N ASP C 25 75.966 2.490 3.294 1.00 0.00 N ATOM 388 CA ASP C 25 74.866 3.440 3.146 1.00 0.00 C ATOM 389 C ASP C 25 75.385 4.836 2.809 1.00 0.00 C ATOM 390 O ASP C 25 74.611 5.787 2.705 1.00 0.00 O ATOM 391 CB ASP C 25 74.049 3.515 4.437 1.00 0.00 C ATOM 392 CG ASP C 25 72.888 2.528 4.366 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.403 2.292 3.272 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.501 2.024 5.408 1.00 0.00 O ATOM 0 H ASP C 25 76.297 2.369 4.251 1.00 0.00 H new ATOM 0 HA ASP C 25 74.236 3.087 2.329 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.682 3.286 5.294 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.671 4.527 4.582 1.00 0.00 H new ATOM 399 N ILE C 26 76.699 4.954 2.636 1.00 0.00 N ATOM 400 CA ILE C 26 77.293 6.249 2.307 1.00 0.00 C ATOM 401 C ILE C 26 77.911 6.199 0.916 1.00 0.00 C ATOM 402 O ILE C 26 77.881 7.178 0.171 1.00 0.00 O ATOM 403 CB ILE C 26 78.368 6.653 3.321 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.288 5.752 4.558 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.147 8.108 3.737 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.073 6.132 5.405 1.00 0.00 C ATOM 0 H ILE C 26 77.364 4.184 2.716 1.00 0.00 H new ATOM 0 HA ILE C 26 76.497 6.993 2.337 1.00 0.00 H new ATOM 0 HB ILE C 26 79.352 6.544 2.864 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.217 4.708 4.253 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.199 5.850 5.149 1.00 0.00 H new ATOM 0 HG21 ILE C 26 78.910 8.400 4.459 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.213 8.751 2.860 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.161 8.211 4.190 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.024 5.486 6.282 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.162 7.171 5.724 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.165 6.010 4.814 1.00 0.00 H new ATOM 418 N PHE C 27 78.460 5.038 0.571 1.00 0.00 N ATOM 419 CA PHE C 27 79.071 4.858 -0.741 1.00 0.00 C ATOM 420 C PHE C 27 77.999 4.934 -1.820 1.00 0.00 C ATOM 421 O PHE C 27 78.131 5.663 -2.804 1.00 0.00 O ATOM 422 CB PHE C 27 79.766 3.497 -0.827 1.00 0.00 C ATOM 423 CG PHE C 27 81.089 3.554 -0.103 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.151 4.050 1.204 1.00 0.00 C ATOM 425 CD2 PHE C 27 82.253 3.108 -0.738 1.00 0.00 C ATOM 426 CE1 PHE C 27 82.378 4.100 1.876 1.00 0.00 C ATOM 427 CE2 PHE C 27 83.480 3.157 -0.067 1.00 0.00 C ATOM 428 CZ PHE C 27 83.542 3.654 1.241 1.00 0.00 C ATOM 0 H PHE C 27 78.494 4.216 1.174 1.00 0.00 H new ATOM 0 HA PHE C 27 79.808 5.647 -0.890 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.133 2.726 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE C 27 79.923 3.223 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE C 27 80.252 4.394 1.694 1.00 0.00 H new ATOM 0 HD2 PHE C 27 82.205 2.726 -1.747 1.00 0.00 H new ATOM 0 HE1 PHE C 27 82.426 4.483 2.885 1.00 0.00 H new ATOM 0 HE2 PHE C 27 84.378 2.812 -0.557 1.00 0.00 H new ATOM 0 HZ PHE C 27 84.489 3.693 1.759 1.00 0.00 H new ATOM 438 N VAL C 28 76.928 4.174 -1.611 1.00 0.00 N ATOM 439 CA VAL C 28 75.817 4.154 -2.555 1.00 0.00 C ATOM 440 C VAL C 28 74.606 4.849 -1.944 1.00 0.00 C ATOM 441 O VAL C 28 73.460 4.505 -2.234 1.00 0.00 O ATOM 442 CB VAL C 28 75.437 2.714 -2.904 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.304 2.220 -4.062 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.663 1.821 -1.683 1.00 0.00 C ATOM 0 H VAL C 28 76.807 3.567 -0.800 1.00 0.00 H new ATOM 0 HA VAL C 28 76.127 4.675 -3.461 1.00 0.00 H new ATOM 0 HB VAL C 28 74.388 2.677 -3.197 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.031 1.194 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL C 28 76.146 2.857 -4.932 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.354 2.257 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.393 0.794 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.713 1.861 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.044 2.171 -0.857 1.00 0.00 H new ATOM 454 N LEU C 29 74.877 5.833 -1.089 1.00 0.00 N ATOM 455 CA LEU C 29 73.806 6.575 -0.430 1.00 0.00 C ATOM 456 C LEU C 29 72.890 7.226 -1.464 1.00 0.00 C ATOM 457 O LEU C 29 71.772 7.639 -1.157 1.00 0.00 O ATOM 458 CB LEU C 29 74.396 7.639 0.511 1.00 0.00 C ATOM 459 CG LEU C 29 74.657 8.944 -0.249 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.528 9.935 0.039 1.00 0.00 C ATOM 461 CD2 LEU C 29 75.989 9.543 0.210 1.00 0.00 C ATOM 0 H LEU C 29 75.819 6.132 -0.838 1.00 0.00 H new ATOM 0 HA LEU C 29 73.214 5.877 0.161 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.709 7.824 1.337 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.326 7.273 0.946 1.00 0.00 H new ATOM 0 HG LEU C 29 74.699 8.740 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU C 29 73.712 10.864 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.579 9.509 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.487 10.139 1.109 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.176 10.471 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.947 9.748 1.280 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.794 8.837 0.007 1.00 0.00 H new ATOM 473 N GLY C 30 73.383 7.303 -2.693 1.00 0.00 N ATOM 474 CA GLY C 30 72.614 7.894 -3.784 1.00 0.00 C ATOM 475 C GLY C 30 72.780 7.069 -5.056 1.00 0.00 C ATOM 476 O GLY C 30 72.776 7.601 -6.166 1.00 0.00 O ATOM 0 H GLY C 30 74.308 6.966 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.560 7.944 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY C 30 72.947 8.917 -3.960 1.00 0.00 H new ATOM 480 N ALA C 31 72.932 5.759 -4.877 1.00 0.00 N ATOM 481 CA ALA C 31 73.108 4.855 -6.011 1.00 0.00 C ATOM 482 C ALA C 31 71.790 4.185 -6.381 1.00 0.00 C ATOM 483 O ALA C 31 70.790 4.303 -5.673 1.00 0.00 O ATOM 484 CB ALA C 31 74.135 3.772 -5.677 1.00 0.00 C ATOM 0 H ALA C 31 72.937 5.302 -3.965 1.00 0.00 H new ATOM 0 HA ALA C 31 73.460 5.449 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.254 3.107 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.092 4.238 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.792 3.198 -4.816 1.00 0.00 H new ATOM 490 N GLU C 32 71.811 3.479 -7.506 1.00 0.00 N ATOM 491 CA GLU C 32 70.624 2.782 -7.986 1.00 0.00 C ATOM 492 C GLU C 32 70.347 1.548 -7.133 1.00 0.00 C ATOM 493 O GLU C 32 69.219 1.313 -6.702 1.00 0.00 O ATOM 494 CB GLU C 32 70.824 2.351 -9.439 1.00 0.00 C ATOM 495 CG GLU C 32 69.560 2.654 -10.244 1.00 0.00 C ATOM 496 CD GLU C 32 69.033 1.367 -10.870 1.00 0.00 C ATOM 497 OE1 GLU C 32 69.822 0.660 -11.476 1.00 0.00 O ATOM 498 OE2 GLU C 32 67.849 1.107 -10.734 1.00 0.00 O ATOM 0 H GLU C 32 72.633 3.374 -8.100 1.00 0.00 H new ATOM 0 HA GLU C 32 69.776 3.463 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.676 2.876 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU C 32 71.050 1.286 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.801 3.093 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.778 3.386 -11.022 1.00 0.00 H new ATOM 505 N ASP C 33 71.394 0.762 -6.894 1.00 0.00 N ATOM 506 CA ASP C 33 71.256 -0.450 -6.088 1.00 0.00 C ATOM 507 C ASP C 33 72.355 -0.515 -5.031 1.00 0.00 C ATOM 508 O ASP C 33 72.138 -0.170 -3.870 1.00 0.00 O ATOM 509 CB ASP C 33 71.325 -1.711 -6.960 1.00 0.00 C ATOM 510 CG ASP C 33 71.906 -1.376 -8.332 1.00 0.00 C ATOM 511 OD1 ASP C 33 71.183 -0.816 -9.139 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.064 -1.687 -8.554 1.00 0.00 O ATOM 0 H ASP C 33 72.337 0.938 -7.242 1.00 0.00 H new ATOM 0 HA ASP C 33 70.280 -0.410 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP C 33 71.941 -2.466 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.328 -2.138 -7.074 1.00 0.00 H new ATOM 517 N GLY C 34 73.539 -0.963 -5.444 1.00 0.00 N ATOM 518 CA GLY C 34 74.663 -1.069 -4.521 1.00 0.00 C ATOM 519 C GLY C 34 75.980 -0.833 -5.249 1.00 0.00 C ATOM 520 O GLY C 34 77.027 -1.348 -4.854 1.00 0.00 O ATOM 0 H GLY C 34 73.742 -1.255 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.550 -0.341 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.669 -2.056 -4.059 1.00 0.00 H new ATOM 524 N CYS C 35 75.917 -0.042 -6.316 1.00 0.00 N ATOM 525 CA CYS C 35 77.119 0.260 -7.092 1.00 0.00 C ATOM 526 C CYS C 35 77.660 1.632 -6.720 1.00 0.00 C ATOM 527 O CYS C 35 76.908 2.587 -6.530 1.00 0.00 O ATOM 528 CB CYS C 35 76.846 0.224 -8.599 1.00 0.00 C ATOM 529 SG CYS C 35 75.210 0.909 -8.962 1.00 0.00 S ATOM 0 H CYS C 35 75.063 0.396 -6.660 1.00 0.00 H new ATOM 0 HA CYS C 35 77.855 -0.508 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.611 0.794 -9.127 1.00 0.00 H new ATOM 0 HB3 CYS C 35 76.906 -0.802 -8.961 1.00 0.00 H new ATOM 0 HG CYS C 35 74.309 -0.016 -8.812 1.00 0.00 H new ATOM 535 N ILE C 36 78.980 1.711 -6.614 1.00 0.00 N ATOM 536 CA ILE C 36 79.634 2.964 -6.256 1.00 0.00 C ATOM 537 C ILE C 36 80.534 3.443 -7.392 1.00 0.00 C ATOM 538 O ILE C 36 81.389 2.705 -7.881 1.00 0.00 O ATOM 539 CB ILE C 36 80.483 2.789 -4.993 1.00 0.00 C ATOM 540 CG1 ILE C 36 79.759 1.875 -3.998 1.00 0.00 C ATOM 541 CG2 ILE C 36 80.716 4.154 -4.345 1.00 0.00 C ATOM 542 CD1 ILE C 36 80.790 1.137 -3.142 1.00 0.00 C ATOM 0 H ILE C 36 79.616 0.929 -6.769 1.00 0.00 H new ATOM 0 HA ILE C 36 78.855 3.703 -6.071 1.00 0.00 H new ATOM 0 HB ILE C 36 81.438 2.340 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE C 36 79.097 2.463 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE C 36 79.135 1.159 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE C 36 81.320 4.032 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE C 36 81.237 4.806 -5.046 1.00 0.00 H new ATOM 0 HG23 ILE C 36 79.757 4.599 -4.080 1.00 0.00 H new ATOM 0 HD11 ILE C 36 80.276 0.487 -2.434 1.00 0.00 H new ATOM 0 HD12 ILE C 36 81.434 0.537 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE C 36 81.395 1.861 -2.597 1.00 0.00 H new ATOM 554 N SER C 37 80.330 4.692 -7.802 1.00 0.00 N ATOM 555 CA SER C 37 81.126 5.273 -8.880 1.00 0.00 C ATOM 556 C SER C 37 82.170 6.226 -8.308 1.00 0.00 C ATOM 557 O SER C 37 82.315 6.353 -7.092 1.00 0.00 O ATOM 558 CB SER C 37 80.229 6.039 -9.854 1.00 0.00 C ATOM 559 OG SER C 37 78.879 5.635 -9.665 1.00 0.00 O ATOM 0 H SER C 37 79.627 5.317 -7.408 1.00 0.00 H new ATOM 0 HA SER C 37 81.624 4.462 -9.411 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.326 7.112 -9.689 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.539 5.845 -10.881 1.00 0.00 H new ATOM 0 HG SER C 37 78.301 6.125 -10.286 1.00 0.00 H new ATOM 565 N THR C 38 82.896 6.898 -9.197 1.00 0.00 N ATOM 566 CA THR C 38 83.926 7.840 -8.767 1.00 0.00 C ATOM 567 C THR C 38 83.288 9.049 -8.090 1.00 0.00 C ATOM 568 O THR C 38 83.532 9.321 -6.915 1.00 0.00 O ATOM 569 CB THR C 38 84.755 8.314 -9.962 1.00 0.00 C ATOM 570 OG1 THR C 38 83.968 9.177 -10.771 1.00 0.00 O ATOM 571 CG2 THR C 38 85.203 7.105 -10.787 1.00 0.00 C ATOM 0 H THR C 38 82.793 6.810 -10.208 1.00 0.00 H new ATOM 0 HA THR C 38 84.577 7.328 -8.059 1.00 0.00 H new ATOM 0 HB THR C 38 85.633 8.852 -9.604 1.00 0.00 H new ATOM 0 HG1 THR C 38 84.499 9.483 -11.536 1.00 0.00 H new ATOM 0 HG21 THR C 38 85.794 7.444 -11.638 1.00 0.00 H new ATOM 0 HG22 THR C 38 85.808 6.445 -10.166 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.327 6.564 -11.145 1.00 0.00 H new ATOM 579 N LYS C 39 82.466 9.770 -8.847 1.00 0.00 N ATOM 580 CA LYS C 39 81.794 10.950 -8.311 1.00 0.00 C ATOM 581 C LYS C 39 80.894 10.562 -7.143 1.00 0.00 C ATOM 582 O LYS C 39 80.747 11.311 -6.178 1.00 0.00 O ATOM 583 CB LYS C 39 80.945 11.621 -9.392 1.00 0.00 C ATOM 584 CG LYS C 39 81.863 12.294 -10.414 1.00 0.00 C ATOM 585 CD LYS C 39 81.520 13.782 -10.507 1.00 0.00 C ATOM 586 CE LYS C 39 81.767 14.447 -9.152 1.00 0.00 C ATOM 587 NZ LYS C 39 80.470 14.904 -8.578 1.00 0.00 N ATOM 0 H LYS C 39 82.251 9.562 -9.822 1.00 0.00 H new ATOM 0 HA LYS C 39 82.559 11.647 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS C 39 80.314 10.882 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.280 12.359 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.905 12.168 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS C 39 81.747 11.822 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS C 39 82.129 14.259 -11.275 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.478 13.908 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS C 39 82.250 13.744 -8.473 1.00 0.00 H new ATOM 0 HE3 LYS C 39 82.444 15.294 -9.269 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 80.379 15.933 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 79.686 14.426 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 80.438 14.672 -7.565 1.00 0.00 H new ATOM 601 N GLU C 40 80.294 9.380 -7.244 1.00 0.00 N ATOM 602 CA GLU C 40 79.408 8.894 -6.190 1.00 0.00 C ATOM 603 C GLU C 40 80.193 8.652 -4.905 1.00 0.00 C ATOM 604 O GLU C 40 79.699 8.893 -3.804 1.00 0.00 O ATOM 605 CB GLU C 40 78.735 7.587 -6.616 1.00 0.00 C ATOM 606 CG GLU C 40 77.370 7.469 -5.935 1.00 0.00 C ATOM 607 CD GLU C 40 76.267 7.691 -6.964 1.00 0.00 C ATOM 608 OE1 GLU C 40 76.334 8.683 -7.671 1.00 0.00 O ATOM 609 OE2 GLU C 40 75.371 6.865 -7.031 1.00 0.00 O ATOM 0 H GLU C 40 80.403 8.746 -8.036 1.00 0.00 H new ATOM 0 HA GLU C 40 78.646 9.653 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU C 40 78.616 7.563 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.363 6.738 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.263 6.485 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.287 8.203 -5.133 1.00 0.00 H new ATOM 616 N LEU C 41 81.424 8.171 -5.058 1.00 0.00 N ATOM 617 CA LEU C 41 82.271 7.898 -3.900 1.00 0.00 C ATOM 618 C LEU C 41 82.871 9.194 -3.364 1.00 0.00 C ATOM 619 O LEU C 41 82.987 9.388 -2.154 1.00 0.00 O ATOM 620 CB LEU C 41 83.402 6.937 -4.274 1.00 0.00 C ATOM 621 CG LEU C 41 84.376 6.806 -3.101 1.00 0.00 C ATOM 622 CD1 LEU C 41 83.663 6.169 -1.906 1.00 0.00 C ATOM 623 CD2 LEU C 41 85.554 5.923 -3.515 1.00 0.00 C ATOM 0 H LEU C 41 81.853 7.964 -5.960 1.00 0.00 H new ATOM 0 HA LEU C 41 81.651 7.439 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU C 41 82.992 5.960 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU C 41 83.927 7.304 -5.156 1.00 0.00 H new ATOM 0 HG LEU C 41 84.738 7.795 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU C 41 84.360 6.077 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU C 41 82.822 6.795 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU C 41 83.299 5.180 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU C 41 86.249 5.829 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU C 41 85.188 4.936 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU C 41 86.066 6.375 -4.364 1.00 0.00 H new ATOM 635 N GLY C 42 83.249 10.080 -4.280 1.00 0.00 N ATOM 636 CA GLY C 42 83.836 11.360 -3.891 1.00 0.00 C ATOM 637 C GLY C 42 83.098 11.949 -2.693 1.00 0.00 C ATOM 638 O GLY C 42 83.685 12.647 -1.866 1.00 0.00 O ATOM 0 H GLY C 42 83.161 9.939 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY C 42 84.889 11.223 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY C 42 83.793 12.055 -4.729 1.00 0.00 H new ATOM 642 N LYS C 43 81.802 11.660 -2.610 1.00 0.00 N ATOM 643 CA LYS C 43 80.987 12.169 -1.508 1.00 0.00 C ATOM 644 C LYS C 43 81.475 11.606 -0.177 1.00 0.00 C ATOM 645 O LYS C 43 81.759 12.351 0.761 1.00 0.00 O ATOM 646 CB LYS C 43 79.519 11.785 -1.702 1.00 0.00 C ATOM 647 CG LYS C 43 78.655 12.547 -0.694 1.00 0.00 C ATOM 648 CD LYS C 43 78.106 13.817 -1.347 1.00 0.00 C ATOM 649 CE LYS C 43 76.585 13.860 -1.184 1.00 0.00 C ATOM 650 NZ LYS C 43 75.937 13.367 -2.432 1.00 0.00 N ATOM 0 H LYS C 43 81.297 11.083 -3.283 1.00 0.00 H new ATOM 0 HA LYS C 43 81.079 13.255 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS C 43 79.202 12.018 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.392 10.711 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS C 43 77.834 11.916 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.245 12.804 0.186 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.556 14.698 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.370 13.838 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS C 43 76.282 13.245 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS C 43 76.260 14.878 -0.971 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 74.903 13.396 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 76.217 13.972 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 76.238 12.389 -2.616 1.00 0.00 H new ATOM 664 N VAL C 44 81.567 10.281 -0.103 1.00 0.00 N ATOM 665 CA VAL C 44 82.020 9.630 1.124 1.00 0.00 C ATOM 666 C VAL C 44 83.378 10.181 1.549 1.00 0.00 C ATOM 667 O VAL C 44 83.543 10.665 2.668 1.00 0.00 O ATOM 668 CB VAL C 44 82.136 8.119 0.924 1.00 0.00 C ATOM 669 CG1 VAL C 44 82.553 7.463 2.241 1.00 0.00 C ATOM 670 CG2 VAL C 44 80.783 7.557 0.482 1.00 0.00 C ATOM 0 H VAL C 44 81.338 9.644 -0.866 1.00 0.00 H new ATOM 0 HA VAL C 44 81.284 9.834 1.901 1.00 0.00 H new ATOM 0 HB VAL C 44 82.884 7.910 0.159 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.636 6.385 2.100 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.516 7.863 2.558 1.00 0.00 H new ATOM 0 HG13 VAL C 44 81.804 7.672 3.005 1.00 0.00 H new ATOM 0 HG21 VAL C 44 80.866 6.480 0.339 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.035 7.765 1.247 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.483 8.025 -0.456 1.00 0.00 H new ATOM 680 N MET C 45 84.350 10.100 0.644 1.00 0.00 N ATOM 681 CA MET C 45 85.693 10.595 0.939 1.00 0.00 C ATOM 682 C MET C 45 85.627 12.022 1.472 1.00 0.00 C ATOM 683 O MET C 45 86.213 12.344 2.506 1.00 0.00 O ATOM 684 CB MET C 45 86.565 10.574 -0.320 1.00 0.00 C ATOM 685 CG MET C 45 86.829 9.126 -0.737 1.00 0.00 C ATOM 686 SD MET C 45 88.566 8.715 -0.432 1.00 0.00 S ATOM 687 CE MET C 45 88.393 8.272 1.314 1.00 0.00 C ATOM 0 H MET C 45 84.236 9.702 -0.288 1.00 0.00 H new ATOM 0 HA MET C 45 86.133 9.942 1.693 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.068 11.111 -1.128 1.00 0.00 H new ATOM 0 HB3 MET C 45 87.508 11.086 -0.130 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.181 8.452 -0.177 1.00 0.00 H new ATOM 0 HG3 MET C 45 86.593 8.992 -1.793 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.266 7.704 1.633 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.311 9.179 1.913 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.497 7.666 1.449 1.00 0.00 H new ATOM 697 N ARG C 46 84.904 12.874 0.750 1.00 0.00 N ATOM 698 CA ARG C 46 84.759 14.271 1.150 1.00 0.00 C ATOM 699 C ARG C 46 84.310 14.368 2.604 1.00 0.00 C ATOM 700 O ARG C 46 84.793 15.206 3.365 1.00 0.00 O ATOM 701 CB ARG C 46 83.730 14.973 0.264 1.00 0.00 C ATOM 702 CG ARG C 46 84.067 16.461 0.166 1.00 0.00 C ATOM 703 CD ARG C 46 82.970 17.179 -0.623 1.00 0.00 C ATOM 704 NE ARG C 46 83.156 18.627 -0.569 1.00 0.00 N ATOM 705 CZ ARG C 46 82.821 19.320 0.515 1.00 0.00 C ATOM 706 NH1 ARG C 46 82.324 18.708 1.554 1.00 0.00 N ATOM 707 NH2 ARG C 46 82.989 20.613 0.539 1.00 0.00 N ATOM 0 H ARG C 46 84.413 12.625 -0.108 1.00 0.00 H new ATOM 0 HA ARG C 46 85.729 14.756 1.038 1.00 0.00 H new ATOM 0 HB2 ARG C 46 83.725 14.525 -0.730 1.00 0.00 H new ATOM 0 HB3 ARG C 46 82.730 14.843 0.678 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.154 16.892 1.163 1.00 0.00 H new ATOM 0 HG3 ARG C 46 85.031 16.595 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG C 46 82.983 16.844 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG C 46 81.993 16.918 -0.216 1.00 0.00 H new ATOM 0 HE ARG C 46 83.549 19.114 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.192 17.697 1.535 1.00 0.00 H new ATOM 0 HH12 ARG C 46 82.067 19.241 2.385 1.00 0.00 H new ATOM 0 HH21 ARG C 46 83.377 21.092 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG C 46 82.732 21.145 1.370 1.00 0.00 H new ATOM 721 N MET C 47 83.377 13.500 2.979 1.00 0.00 N ATOM 722 CA MET C 47 82.862 13.492 4.345 1.00 0.00 C ATOM 723 C MET C 47 83.979 13.178 5.334 1.00 0.00 C ATOM 724 O MET C 47 84.208 13.918 6.292 1.00 0.00 O ATOM 725 CB MET C 47 81.763 12.442 4.494 1.00 0.00 C ATOM 726 CG MET C 47 80.628 12.748 3.517 1.00 0.00 C ATOM 727 SD MET C 47 79.041 12.617 4.378 1.00 0.00 S ATOM 728 CE MET C 47 78.980 10.811 4.460 1.00 0.00 C ATOM 0 H MET C 47 82.964 12.799 2.364 1.00 0.00 H new ATOM 0 HA MET C 47 82.455 14.481 4.556 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.166 11.448 4.299 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.386 12.438 5.517 1.00 0.00 H new ATOM 0 HG2 MET C 47 80.749 13.750 3.104 1.00 0.00 H new ATOM 0 HG3 MET C 47 80.658 12.052 2.678 1.00 0.00 H new ATOM 0 HE1 MET C 47 77.984 10.468 4.182 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.714 10.391 3.773 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.205 10.485 5.475 1.00 0.00 H new ATOM 738 N LEU C 48 84.671 12.069 5.092 1.00 0.00 N ATOM 739 CA LEU C 48 85.763 11.657 5.968 1.00 0.00 C ATOM 740 C LEU C 48 86.656 12.848 6.304 1.00 0.00 C ATOM 741 O LEU C 48 86.504 13.479 7.349 1.00 0.00 O ATOM 742 CB LEU C 48 86.604 10.567 5.302 1.00 0.00 C ATOM 743 CG LEU C 48 85.965 9.202 5.569 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.689 9.063 4.737 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.947 8.093 5.186 1.00 0.00 C ATOM 0 H LEU C 48 84.498 11.444 4.304 1.00 0.00 H new ATOM 0 HA LEU C 48 85.328 11.263 6.886 1.00 0.00 H new ATOM 0 HB2 LEU C 48 86.670 10.747 4.229 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.622 10.588 5.692 1.00 0.00 H new ATOM 0 HG LEU C 48 85.719 9.119 6.628 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.234 8.091 4.928 1.00 0.00 H new ATOM 0 HD12 LEU C 48 83.988 9.851 5.011 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.934 9.148 3.678 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.491 7.121 5.377 1.00 0.00 H new ATOM 0 HD22 LEU C 48 87.195 8.176 4.128 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.855 8.190 5.780 1.00 0.00 H new ATOM 757 N GLY C 49 87.589 13.151 5.406 1.00 0.00 N ATOM 758 CA GLY C 49 88.499 14.272 5.624 1.00 0.00 C ATOM 759 C GLY C 49 89.458 14.434 4.451 1.00 0.00 C ATOM 760 O GLY C 49 90.629 14.766 4.631 1.00 0.00 O ATOM 0 H GLY C 49 87.734 12.645 4.533 1.00 0.00 H new ATOM 0 HA2 GLY C 49 87.926 15.189 5.759 1.00 0.00 H new ATOM 0 HA3 GLY C 49 89.065 14.112 6.542 1.00 0.00 H new ATOM 764 N GLN C 50 88.950 14.198 3.245 1.00 0.00 N ATOM 765 CA GLN C 50 89.776 14.323 2.048 1.00 0.00 C ATOM 766 C GLN C 50 88.960 14.896 0.894 1.00 0.00 C ATOM 767 O GLN C 50 87.761 15.137 1.024 1.00 0.00 O ATOM 768 CB GLN C 50 90.336 12.960 1.639 1.00 0.00 C ATOM 769 CG GLN C 50 90.751 12.182 2.890 1.00 0.00 C ATOM 770 CD GLN C 50 91.446 10.889 2.478 1.00 0.00 C ATOM 771 OE1 GLN C 50 91.097 10.285 1.464 1.00 0.00 O ATOM 772 NE2 GLN C 50 92.417 10.422 3.213 1.00 0.00 N ATOM 0 H GLN C 50 87.983 13.923 3.071 1.00 0.00 H new ATOM 0 HA GLN C 50 90.601 14.998 2.277 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.586 12.399 1.081 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.193 13.091 0.978 1.00 0.00 H new ATOM 0 HG2 GLN C 50 91.419 12.787 3.502 1.00 0.00 H new ATOM 0 HG3 GLN C 50 89.875 11.958 3.499 1.00 0.00 H new ATOM 0 HE21 GLN C 50 92.707 10.922 4.053 1.00 0.00 H new ATOM 0 HE22 GLN C 50 92.887 9.557 2.947 1.00 0.00 H new ATOM 781 N ASN C 51 89.626 15.114 -0.236 1.00 0.00 N ATOM 782 CA ASN C 51 88.954 15.664 -1.411 1.00 0.00 C ATOM 783 C ASN C 51 89.514 15.042 -2.686 1.00 0.00 C ATOM 784 O ASN C 51 90.361 15.629 -3.359 1.00 0.00 O ATOM 785 CB ASN C 51 89.145 17.181 -1.473 1.00 0.00 C ATOM 786 CG ASN C 51 88.450 17.734 -2.714 1.00 0.00 C ATOM 787 OD1 ASN C 51 87.221 17.784 -2.775 1.00 0.00 O ATOM 788 ND2 ASN C 51 89.171 18.160 -3.716 1.00 0.00 N ATOM 0 H ASN C 51 90.619 14.921 -0.364 1.00 0.00 H new ATOM 0 HA ASN C 51 87.892 15.433 -1.330 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.735 17.646 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.207 17.423 -1.500 1.00 0.00 H new ATOM 0 HD21 ASN C 51 88.716 18.534 -4.549 1.00 0.00 H new ATOM 0 HD22 ASN C 51 90.189 18.119 -3.666 1.00 0.00 H new ATOM 795 N PRO C 52 89.040 13.846 -3.026 1.00 0.00 N ATOM 796 CA PRO C 52 89.490 13.129 -4.233 1.00 0.00 C ATOM 797 C PRO C 52 88.796 13.620 -5.504 1.00 0.00 C ATOM 798 O PRO C 52 87.607 13.940 -5.496 1.00 0.00 O ATOM 799 CB PRO C 52 89.093 11.691 -3.918 1.00 0.00 C ATOM 800 CG PRO C 52 87.962 11.754 -2.896 1.00 0.00 C ATOM 801 CD PRO C 52 88.025 13.132 -2.227 1.00 0.00 C ATOM 0 HA PRO C 52 90.552 13.270 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO C 52 88.768 11.174 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO C 52 89.942 11.135 -3.520 1.00 0.00 H new ATOM 0 HG2 PRO C 52 86.997 11.607 -3.382 1.00 0.00 H new ATOM 0 HG3 PRO C 52 88.070 10.962 -2.155 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.060 13.638 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO C 52 88.316 13.058 -1.179 1.00 0.00 H new ATOM 809 N THR C 53 89.555 13.671 -6.595 1.00 0.00 N ATOM 810 CA THR C 53 89.012 14.118 -7.874 1.00 0.00 C ATOM 811 C THR C 53 88.390 12.940 -8.619 1.00 0.00 C ATOM 812 O THR C 53 88.357 11.820 -8.109 1.00 0.00 O ATOM 813 CB THR C 53 90.122 14.732 -8.730 1.00 0.00 C ATOM 814 OG1 THR C 53 91.339 14.722 -7.997 1.00 0.00 O ATOM 815 CG2 THR C 53 89.756 16.173 -9.089 1.00 0.00 C ATOM 0 H THR C 53 90.541 13.410 -6.620 1.00 0.00 H new ATOM 0 HA THR C 53 88.246 14.870 -7.684 1.00 0.00 H new ATOM 0 HB THR C 53 90.240 14.151 -9.645 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.771 13.847 -8.092 1.00 0.00 H new ATOM 0 HG21 THR C 53 90.548 16.608 -9.699 1.00 0.00 H new ATOM 0 HG22 THR C 53 88.821 16.182 -9.649 1.00 0.00 H new ATOM 0 HG23 THR C 53 89.638 16.757 -8.176 1.00 0.00 H new ATOM 823 N PRO C 54 87.892 13.179 -9.832 1.00 0.00 N ATOM 824 CA PRO C 54 87.268 12.123 -10.645 1.00 0.00 C ATOM 825 C PRO C 54 88.300 11.264 -11.372 1.00 0.00 C ATOM 826 O PRO C 54 87.999 10.163 -11.834 1.00 0.00 O ATOM 827 CB PRO C 54 86.430 12.928 -11.631 1.00 0.00 C ATOM 828 CG PRO C 54 87.057 14.315 -11.720 1.00 0.00 C ATOM 829 CD PRO C 54 87.920 14.510 -10.469 1.00 0.00 C ATOM 0 HA PRO C 54 86.695 11.411 -10.051 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.417 12.447 -12.609 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.395 12.993 -11.294 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.663 14.405 -12.622 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.285 15.082 -11.777 1.00 0.00 H new ATOM 0 HD2 PRO C 54 88.935 14.814 -10.723 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.512 15.279 -9.814 1.00 0.00 H new ATOM 837 N GLU C 55 89.522 11.781 -11.462 1.00 0.00 N ATOM 838 CA GLU C 55 90.599 11.055 -12.129 1.00 0.00 C ATOM 839 C GLU C 55 91.293 10.110 -11.152 1.00 0.00 C ATOM 840 O GLU C 55 91.747 9.029 -11.528 1.00 0.00 O ATOM 841 CB GLU C 55 91.630 12.031 -12.699 1.00 0.00 C ATOM 842 CG GLU C 55 90.997 12.831 -13.839 1.00 0.00 C ATOM 843 CD GLU C 55 90.525 11.874 -14.929 1.00 0.00 C ATOM 844 OE1 GLU C 55 91.022 10.760 -14.967 1.00 0.00 O ATOM 845 OE2 GLU C 55 89.673 12.268 -15.708 1.00 0.00 O ATOM 0 H GLU C 55 89.790 12.690 -11.086 1.00 0.00 H new ATOM 0 HA GLU C 55 90.160 10.476 -12.942 1.00 0.00 H new ATOM 0 HB2 GLU C 55 91.980 12.705 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.501 11.486 -13.063 1.00 0.00 H new ATOM 0 HG2 GLU C 55 90.157 13.416 -13.465 1.00 0.00 H new ATOM 0 HG3 GLU C 55 91.720 13.537 -14.248 1.00 0.00 H new ATOM 852 N GLU C 56 91.375 10.531 -9.891 1.00 0.00 N ATOM 853 CA GLU C 56 92.021 9.715 -8.867 1.00 0.00 C ATOM 854 C GLU C 56 91.060 8.656 -8.336 1.00 0.00 C ATOM 855 O GLU C 56 91.466 7.545 -7.994 1.00 0.00 O ATOM 856 CB GLU C 56 92.488 10.591 -7.701 1.00 0.00 C ATOM 857 CG GLU C 56 94.017 10.634 -7.673 1.00 0.00 C ATOM 858 CD GLU C 56 94.486 12.085 -7.658 1.00 0.00 C ATOM 859 OE1 GLU C 56 94.075 12.811 -6.768 1.00 0.00 O ATOM 860 OE2 GLU C 56 95.251 12.449 -8.537 1.00 0.00 O ATOM 0 H GLU C 56 91.007 11.422 -9.557 1.00 0.00 H new ATOM 0 HA GLU C 56 92.881 9.226 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.087 11.599 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU C 56 92.108 10.194 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU C 56 94.390 10.111 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.422 10.119 -8.544 1.00 0.00 H new ATOM 867 N LEU C 57 89.782 9.015 -8.265 1.00 0.00 N ATOM 868 CA LEU C 57 88.768 8.090 -7.767 1.00 0.00 C ATOM 869 C LEU C 57 88.649 6.874 -8.681 1.00 0.00 C ATOM 870 O LEU C 57 88.592 5.735 -8.218 1.00 0.00 O ATOM 871 CB LEU C 57 87.410 8.786 -7.679 1.00 0.00 C ATOM 872 CG LEU C 57 87.245 9.397 -6.288 1.00 0.00 C ATOM 873 CD1 LEU C 57 86.225 10.534 -6.346 1.00 0.00 C ATOM 874 CD2 LEU C 57 86.756 8.321 -5.317 1.00 0.00 C ATOM 0 H LEU C 57 89.426 9.930 -8.543 1.00 0.00 H new ATOM 0 HA LEU C 57 89.074 7.761 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU C 57 87.336 9.562 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU C 57 86.609 8.072 -7.873 1.00 0.00 H new ATOM 0 HG LEU C 57 88.203 9.789 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU C 57 86.108 10.969 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU C 57 86.573 11.300 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU C 57 85.266 10.145 -6.687 1.00 0.00 H new ATOM 0 HD21 LEU C 57 86.637 8.754 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU C 57 85.798 7.930 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU C 57 87.484 7.511 -5.275 1.00 0.00 H new ATOM 886 N GLN C 58 88.614 7.129 -9.985 1.00 0.00 N ATOM 887 CA GLN C 58 88.503 6.045 -10.957 1.00 0.00 C ATOM 888 C GLN C 58 89.514 4.947 -10.646 1.00 0.00 C ATOM 889 O GLN C 58 89.221 3.758 -10.773 1.00 0.00 O ATOM 890 CB GLN C 58 88.756 6.567 -12.372 1.00 0.00 C ATOM 891 CG GLN C 58 88.600 5.421 -13.375 1.00 0.00 C ATOM 892 CD GLN C 58 87.122 5.085 -13.541 1.00 0.00 C ATOM 893 OE1 GLN C 58 86.254 5.835 -13.096 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.781 3.988 -14.162 1.00 0.00 N ATOM 0 H GLN C 58 88.660 8.064 -10.390 1.00 0.00 H new ATOM 0 HA GLN C 58 87.493 5.639 -10.895 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.054 7.368 -12.606 1.00 0.00 H new ATOM 0 HB3 GLN C 58 89.758 6.991 -12.441 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.029 5.704 -14.336 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.146 4.544 -13.028 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.500 3.366 -14.531 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.795 3.753 -14.278 1.00 0.00 H new ATOM 903 N GLU C 59 90.712 5.360 -10.238 1.00 0.00 N ATOM 904 CA GLU C 59 91.767 4.404 -9.913 1.00 0.00 C ATOM 905 C GLU C 59 91.286 3.413 -8.858 1.00 0.00 C ATOM 906 O GLU C 59 91.735 2.268 -8.812 1.00 0.00 O ATOM 907 CB GLU C 59 93.007 5.130 -9.391 1.00 0.00 C ATOM 908 CG GLU C 59 94.177 4.892 -10.349 1.00 0.00 C ATOM 909 CD GLU C 59 94.265 6.046 -11.341 1.00 0.00 C ATOM 910 OE1 GLU C 59 93.665 7.076 -11.078 1.00 0.00 O ATOM 911 OE2 GLU C 59 94.932 5.884 -12.350 1.00 0.00 O ATOM 0 H GLU C 59 90.974 6.339 -10.126 1.00 0.00 H new ATOM 0 HA GLU C 59 92.022 3.864 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU C 59 92.806 6.198 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.260 4.770 -8.394 1.00 0.00 H new ATOM 0 HG2 GLU C 59 95.108 4.808 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.039 3.951 -10.881 1.00 0.00 H new ATOM 918 N MET C 60 90.363 3.864 -8.014 1.00 0.00 N ATOM 919 CA MET C 60 89.821 3.003 -6.966 1.00 0.00 C ATOM 920 C MET C 60 88.882 1.970 -7.577 1.00 0.00 C ATOM 921 O MET C 60 88.910 0.792 -7.221 1.00 0.00 O ATOM 922 CB MET C 60 89.056 3.829 -5.930 1.00 0.00 C ATOM 923 CG MET C 60 90.049 4.533 -5.004 1.00 0.00 C ATOM 924 SD MET C 60 89.540 6.253 -4.769 1.00 0.00 S ATOM 925 CE MET C 60 89.559 6.248 -2.961 1.00 0.00 C ATOM 0 H MET C 60 89.978 4.808 -8.033 1.00 0.00 H new ATOM 0 HA MET C 60 90.653 2.499 -6.473 1.00 0.00 H new ATOM 0 HB2 MET C 60 88.425 4.564 -6.430 1.00 0.00 H new ATOM 0 HB3 MET C 60 88.396 3.184 -5.350 1.00 0.00 H new ATOM 0 HG2 MET C 60 90.092 4.021 -4.043 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.051 4.494 -5.431 1.00 0.00 H new ATOM 0 HE1 MET C 60 89.749 7.257 -2.596 1.00 0.00 H new ATOM 0 HE2 MET C 60 88.595 5.903 -2.588 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.345 5.580 -2.607 1.00 0.00 H new ATOM 935 N ILE C 61 88.053 2.429 -8.511 1.00 0.00 N ATOM 936 CA ILE C 61 87.109 1.544 -9.184 1.00 0.00 C ATOM 937 C ILE C 61 87.860 0.570 -10.090 1.00 0.00 C ATOM 938 O ILE C 61 87.549 -0.618 -10.137 1.00 0.00 O ATOM 939 CB ILE C 61 86.119 2.371 -10.020 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.033 2.959 -9.110 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.453 1.487 -11.080 1.00 0.00 C ATOM 942 CD1 ILE C 61 85.652 3.463 -7.804 1.00 0.00 C ATOM 0 H ILE C 61 88.016 3.401 -8.817 1.00 0.00 H new ATOM 0 HA ILE C 61 86.558 0.979 -8.432 1.00 0.00 H new ATOM 0 HB ILE C 61 86.667 3.176 -10.510 1.00 0.00 H new ATOM 0 HG12 ILE C 61 84.525 3.778 -9.620 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.279 2.201 -8.895 1.00 0.00 H new ATOM 0 HG21 ILE C 61 84.754 2.085 -11.665 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.216 1.072 -11.739 1.00 0.00 H new ATOM 0 HG23 ILE C 61 84.915 0.675 -10.591 1.00 0.00 H new ATOM 0 HD11 ILE C 61 84.871 3.878 -7.167 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.139 2.635 -7.289 1.00 0.00 H new ATOM 0 HD13 ILE C 61 86.388 4.236 -8.025 1.00 0.00 H new ATOM 954 N ASP C 62 88.851 1.089 -10.810 1.00 0.00 N ATOM 955 CA ASP C 62 89.639 0.256 -11.716 1.00 0.00 C ATOM 956 C ASP C 62 90.137 -0.995 -10.999 1.00 0.00 C ATOM 957 O ASP C 62 90.315 -2.049 -11.609 1.00 0.00 O ATOM 958 CB ASP C 62 90.845 1.034 -12.249 1.00 0.00 C ATOM 959 CG ASP C 62 90.562 1.498 -13.674 1.00 0.00 C ATOM 960 OD1 ASP C 62 89.830 0.809 -14.365 1.00 0.00 O ATOM 961 OD2 ASP C 62 91.082 2.534 -14.053 1.00 0.00 O ATOM 0 H ASP C 62 89.126 2.071 -10.785 1.00 0.00 H new ATOM 0 HA ASP C 62 88.995 -0.033 -12.547 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.049 1.893 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.735 0.404 -12.230 1.00 0.00 H new ATOM 966 N GLU C 63 90.361 -0.864 -9.695 1.00 0.00 N ATOM 967 CA GLU C 63 90.843 -1.988 -8.899 1.00 0.00 C ATOM 968 C GLU C 63 89.740 -3.024 -8.710 1.00 0.00 C ATOM 969 O GLU C 63 89.982 -4.229 -8.773 1.00 0.00 O ATOM 970 CB GLU C 63 91.311 -1.508 -7.524 1.00 0.00 C ATOM 971 CG GLU C 63 91.895 -0.099 -7.645 1.00 0.00 C ATOM 972 CD GLU C 63 92.859 0.152 -6.490 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.231 -0.808 -5.836 1.00 0.00 O ATOM 974 OE2 GLU C 63 93.211 1.301 -6.277 1.00 0.00 O ATOM 0 H GLU C 63 90.218 -0.000 -9.171 1.00 0.00 H new ATOM 0 HA GLU C 63 91.679 -2.440 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.476 -1.508 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.061 -2.191 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.415 0.010 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.094 0.641 -7.632 1.00 0.00 H new ATOM 981 N VAL C 64 88.525 -2.540 -8.471 1.00 0.00 N ATOM 982 CA VAL C 64 87.386 -3.431 -8.264 1.00 0.00 C ATOM 983 C VAL C 64 86.684 -3.731 -9.586 1.00 0.00 C ATOM 984 O VAL C 64 85.914 -4.685 -9.693 1.00 0.00 O ATOM 985 CB VAL C 64 86.382 -2.794 -7.303 1.00 0.00 C ATOM 986 CG1 VAL C 64 86.992 -2.724 -5.902 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.048 -1.379 -7.781 1.00 0.00 C ATOM 0 H VAL C 64 88.304 -1.546 -8.416 1.00 0.00 H new ATOM 0 HA VAL C 64 87.763 -4.361 -7.839 1.00 0.00 H new ATOM 0 HB VAL C 64 85.473 -3.395 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.277 -2.270 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.234 -3.730 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL C 64 87.900 -2.122 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.332 -0.923 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.958 -0.779 -7.807 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.616 -1.425 -8.781 1.00 0.00 H new ATOM 997 N ASP C 65 86.955 -2.902 -10.589 1.00 0.00 N ATOM 998 CA ASP C 65 86.340 -3.080 -11.901 1.00 0.00 C ATOM 999 C ASP C 65 87.034 -4.196 -12.675 1.00 0.00 C ATOM 1000 O ASP C 65 87.488 -4.000 -13.803 1.00 0.00 O ATOM 1001 CB ASP C 65 86.424 -1.784 -12.713 1.00 0.00 C ATOM 1002 CG ASP C 65 85.017 -1.311 -13.061 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.212 -1.188 -12.153 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.765 -1.078 -14.232 1.00 0.00 O ATOM 0 H ASP C 65 87.590 -2.107 -10.521 1.00 0.00 H new ATOM 0 HA ASP C 65 85.294 -3.345 -11.745 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.946 -1.017 -12.141 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.999 -1.949 -13.624 1.00 0.00 H new ATOM 1009 N GLU C 66 87.106 -5.373 -12.059 1.00 0.00 N ATOM 1010 CA GLU C 66 87.742 -6.518 -12.704 1.00 0.00 C ATOM 1011 C GLU C 66 86.856 -7.041 -13.829 1.00 0.00 C ATOM 1012 O GLU C 66 87.342 -7.520 -14.853 1.00 0.00 O ATOM 1013 CB GLU C 66 87.984 -7.639 -11.692 1.00 0.00 C ATOM 1014 CG GLU C 66 89.277 -7.360 -10.922 1.00 0.00 C ATOM 1015 CD GLU C 66 89.973 -8.678 -10.601 1.00 0.00 C ATOM 1016 OE1 GLU C 66 89.464 -9.406 -9.765 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.007 -8.939 -11.194 1.00 0.00 O ATOM 0 H GLU C 66 86.737 -5.558 -11.126 1.00 0.00 H new ATOM 0 HA GLU C 66 88.699 -6.193 -13.112 1.00 0.00 H new ATOM 0 HB2 GLU C 66 87.144 -7.707 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.053 -8.598 -12.205 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.935 -6.724 -11.514 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.055 -6.820 -10.001 1.00 0.00 H new ATOM 1024 N ASP C 67 85.546 -6.932 -13.628 1.00 0.00 N ATOM 1025 CA ASP C 67 84.589 -7.385 -14.632 1.00 0.00 C ATOM 1026 C ASP C 67 84.315 -6.269 -15.635 1.00 0.00 C ATOM 1027 O ASP C 67 83.801 -6.507 -16.728 1.00 0.00 O ATOM 1028 CB ASP C 67 83.270 -7.797 -13.973 1.00 0.00 C ATOM 1029 CG ASP C 67 82.890 -6.773 -12.909 1.00 0.00 C ATOM 1030 OD1 ASP C 67 83.491 -5.711 -12.897 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.004 -7.065 -12.123 1.00 0.00 O ATOM 0 H ASP C 67 85.126 -6.537 -12.787 1.00 0.00 H new ATOM 0 HA ASP C 67 85.018 -8.246 -15.145 1.00 0.00 H new ATOM 0 HB2 ASP C 67 82.483 -7.866 -14.724 1.00 0.00 H new ATOM 0 HB3 ASP C 67 83.369 -8.785 -13.523 1.00 0.00 H new ATOM 1036 N GLY C 68 84.668 -5.045 -15.247 1.00 0.00 N ATOM 1037 CA GLY C 68 84.461 -3.890 -16.116 1.00 0.00 C ATOM 1038 C GLY C 68 83.011 -3.421 -16.058 1.00 0.00 C ATOM 1039 O GLY C 68 82.424 -3.045 -17.073 1.00 0.00 O ATOM 0 H GLY C 68 85.094 -4.829 -14.346 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.123 -3.078 -15.813 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.723 -4.149 -17.142 1.00 0.00 H new ATOM 1043 N SER C 69 82.440 -3.448 -14.857 1.00 0.00 N ATOM 1044 CA SER C 69 81.055 -3.023 -14.674 1.00 0.00 C ATOM 1045 C SER C 69 80.964 -1.500 -14.659 1.00 0.00 C ATOM 1046 O SER C 69 79.900 -0.924 -14.888 1.00 0.00 O ATOM 1047 CB SER C 69 80.496 -3.569 -13.359 1.00 0.00 C ATOM 1048 OG SER C 69 81.466 -4.411 -12.750 1.00 0.00 O ATOM 0 H SER C 69 82.908 -3.756 -14.005 1.00 0.00 H new ATOM 0 HA SER C 69 80.470 -3.415 -15.506 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.240 -2.747 -12.690 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.578 -4.127 -13.544 1.00 0.00 H new ATOM 0 HG SER C 69 81.059 -4.886 -11.995 1.00 0.00 H new ATOM 1054 N GLY C 70 82.095 -0.855 -14.388 1.00 0.00 N ATOM 1055 CA GLY C 70 82.139 0.604 -14.344 1.00 0.00 C ATOM 1056 C GLY C 70 81.719 1.122 -12.972 1.00 0.00 C ATOM 1057 O GLY C 70 81.551 2.326 -12.773 1.00 0.00 O ATOM 0 H GLY C 70 82.986 -1.314 -14.197 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.147 0.948 -14.574 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.480 1.015 -15.109 1.00 0.00 H new ATOM 1061 N THR C 71 81.549 0.201 -12.026 1.00 0.00 N ATOM 1062 CA THR C 71 81.144 0.577 -10.674 1.00 0.00 C ATOM 1063 C THR C 71 81.602 -0.471 -9.665 1.00 0.00 C ATOM 1064 O THR C 71 82.375 -1.373 -9.988 1.00 0.00 O ATOM 1065 CB THR C 71 79.622 0.708 -10.590 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.033 0.066 -11.712 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.229 2.187 -10.581 1.00 0.00 C ATOM 0 H THR C 71 81.684 -0.800 -12.168 1.00 0.00 H new ATOM 0 HA THR C 71 81.609 1.535 -10.441 1.00 0.00 H new ATOM 0 HB THR C 71 79.268 0.239 -9.672 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.058 0.147 -11.660 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.144 2.275 -10.521 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.681 2.678 -9.719 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.582 2.663 -11.496 1.00 0.00 H new ATOM 1075 N VAL C 72 81.110 -0.338 -8.437 1.00 0.00 N ATOM 1076 CA VAL C 72 81.465 -1.273 -7.373 1.00 0.00 C ATOM 1077 C VAL C 72 80.211 -1.731 -6.631 1.00 0.00 C ATOM 1078 O VAL C 72 79.651 -0.999 -5.814 1.00 0.00 O ATOM 1079 CB VAL C 72 82.423 -0.616 -6.375 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.361 -1.677 -5.797 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.249 0.459 -7.087 1.00 0.00 C ATOM 0 H VAL C 72 80.468 0.403 -8.154 1.00 0.00 H new ATOM 0 HA VAL C 72 81.955 -2.133 -7.830 1.00 0.00 H new ATOM 0 HB VAL C 72 81.849 -0.158 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.044 -1.211 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.775 -2.443 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.934 -2.135 -6.604 1.00 0.00 H new ATOM 0 HG21 VAL C 72 83.930 0.925 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL C 72 83.823 0.002 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL C 72 82.582 1.216 -7.500 1.00 0.00 H new ATOM 1091 N ASP C 73 79.775 -2.952 -6.930 1.00 0.00 N ATOM 1092 CA ASP C 73 78.582 -3.508 -6.293 1.00 0.00 C ATOM 1093 C ASP C 73 78.853 -3.816 -4.819 1.00 0.00 C ATOM 1094 O ASP C 73 79.816 -3.321 -4.233 1.00 0.00 O ATOM 1095 CB ASP C 73 78.144 -4.789 -7.013 1.00 0.00 C ATOM 1096 CG ASP C 73 79.236 -5.848 -6.894 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.102 -5.688 -6.049 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.188 -6.806 -7.648 1.00 0.00 O ATOM 0 H ASP C 73 80.225 -3.572 -7.604 1.00 0.00 H new ATOM 0 HA ASP C 73 77.785 -2.768 -6.359 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.215 -5.161 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.944 -4.576 -8.063 1.00 0.00 H new ATOM 1103 N PHE C 74 77.984 -4.630 -4.227 1.00 0.00 N ATOM 1104 CA PHE C 74 78.119 -4.997 -2.818 1.00 0.00 C ATOM 1105 C PHE C 74 79.116 -6.151 -2.651 1.00 0.00 C ATOM 1106 O PHE C 74 79.316 -6.667 -1.550 1.00 0.00 O ATOM 1107 CB PHE C 74 76.741 -5.400 -2.266 1.00 0.00 C ATOM 1108 CG PHE C 74 76.883 -6.238 -1.017 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.957 -5.621 0.237 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.938 -7.633 -1.116 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.088 -6.400 1.392 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.068 -8.412 0.039 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.143 -7.796 1.293 1.00 0.00 C ATOM 0 H PHE C 74 77.181 -5.048 -4.698 1.00 0.00 H new ATOM 0 HA PHE C 74 78.499 -4.140 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.158 -4.506 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.191 -5.959 -3.023 1.00 0.00 H new ATOM 0 HD1 PHE C 74 76.913 -4.545 0.313 1.00 0.00 H new ATOM 0 HD2 PHE C 74 76.880 -8.108 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.147 -5.925 2.360 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.110 -9.488 -0.037 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.243 -8.397 2.185 1.00 0.00 H new ATOM 1123 N ASP C 75 79.744 -6.548 -3.753 1.00 0.00 N ATOM 1124 CA ASP C 75 80.714 -7.640 -3.711 1.00 0.00 C ATOM 1125 C ASP C 75 82.143 -7.101 -3.727 1.00 0.00 C ATOM 1126 O ASP C 75 82.777 -6.953 -2.682 1.00 0.00 O ATOM 1127 CB ASP C 75 80.518 -8.568 -4.911 1.00 0.00 C ATOM 1128 CG ASP C 75 79.413 -9.572 -4.601 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.266 -9.269 -4.889 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.729 -10.628 -4.079 1.00 0.00 O ATOM 0 H ASP C 75 79.603 -6.137 -4.676 1.00 0.00 H new ATOM 0 HA ASP C 75 80.553 -8.194 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP C 75 80.258 -7.986 -5.796 1.00 0.00 H new ATOM 0 HB3 ASP C 75 81.447 -9.091 -5.135 1.00 0.00 H new ATOM 1135 N GLU C 76 82.643 -6.822 -4.927 1.00 0.00 N ATOM 1136 CA GLU C 76 84.005 -6.310 -5.080 1.00 0.00 C ATOM 1137 C GLU C 76 84.317 -5.253 -4.024 1.00 0.00 C ATOM 1138 O GLU C 76 85.473 -5.058 -3.649 1.00 0.00 O ATOM 1139 CB GLU C 76 84.196 -5.695 -6.469 1.00 0.00 C ATOM 1140 CG GLU C 76 82.992 -4.814 -6.811 1.00 0.00 C ATOM 1141 CD GLU C 76 83.098 -4.342 -8.257 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.745 -3.333 -8.484 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.530 -4.996 -9.116 1.00 0.00 O ATOM 0 H GLU C 76 82.132 -6.940 -5.802 1.00 0.00 H new ATOM 0 HA GLU C 76 84.686 -7.152 -4.955 1.00 0.00 H new ATOM 0 HB2 GLU C 76 85.111 -5.103 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.306 -6.483 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.067 -5.373 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.954 -3.956 -6.140 1.00 0.00 H new ATOM 1150 N PHE C 77 83.280 -4.570 -3.549 1.00 0.00 N ATOM 1151 CA PHE C 77 83.472 -3.533 -2.538 1.00 0.00 C ATOM 1152 C PHE C 77 84.141 -4.114 -1.295 1.00 0.00 C ATOM 1153 O PHE C 77 85.293 -3.806 -0.992 1.00 0.00 O ATOM 1154 CB PHE C 77 82.133 -2.909 -2.137 1.00 0.00 C ATOM 1155 CG PHE C 77 82.363 -1.797 -1.134 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.663 -1.353 -0.849 1.00 0.00 C ATOM 1157 CD2 PHE C 77 81.270 -1.209 -0.488 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.866 -0.326 0.080 1.00 0.00 C ATOM 1159 CE2 PHE C 77 81.473 -0.181 0.441 1.00 0.00 C ATOM 1160 CZ PHE C 77 82.771 0.260 0.725 1.00 0.00 C ATOM 0 H PHE C 77 82.313 -4.711 -3.841 1.00 0.00 H new ATOM 0 HA PHE C 77 84.112 -2.764 -2.971 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.626 -2.517 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.481 -3.670 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.508 -1.804 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE C 77 80.268 -1.548 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.867 0.014 0.299 1.00 0.00 H new ATOM 0 HE2 PHE C 77 80.628 0.272 0.938 1.00 0.00 H new ATOM 0 HZ PHE C 77 82.927 1.052 1.442 1.00 0.00 H new ATOM 1170 N LEU C 78 83.401 -4.953 -0.576 1.00 0.00 N ATOM 1171 CA LEU C 78 83.927 -5.571 0.640 1.00 0.00 C ATOM 1172 C LEU C 78 85.362 -6.050 0.424 1.00 0.00 C ATOM 1173 O LEU C 78 86.306 -5.501 0.991 1.00 0.00 O ATOM 1174 CB LEU C 78 83.059 -6.761 1.053 1.00 0.00 C ATOM 1175 CG LEU C 78 81.716 -6.257 1.588 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.763 -7.439 1.777 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.930 -5.558 2.934 1.00 0.00 C ATOM 0 H LEU C 78 82.445 -5.220 -0.810 1.00 0.00 H new ATOM 0 HA LEU C 78 83.914 -4.820 1.430 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.898 -7.420 0.200 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.569 -7.348 1.817 1.00 0.00 H new ATOM 0 HG LEU C 78 81.286 -5.553 0.876 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.807 -7.079 2.158 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.608 -7.938 0.820 1.00 0.00 H new ATOM 0 HD13 LEU C 78 81.194 -8.144 2.488 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.973 -5.200 3.314 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.362 -6.262 3.645 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.607 -4.714 2.802 1.00 0.00 H new ATOM 1189 N VAL C 79 85.513 -7.083 -0.400 1.00 0.00 N ATOM 1190 CA VAL C 79 86.838 -7.633 -0.683 1.00 0.00 C ATOM 1191 C VAL C 79 87.863 -6.513 -0.824 1.00 0.00 C ATOM 1192 O VAL C 79 88.942 -6.561 -0.233 1.00 0.00 O ATOM 1193 CB VAL C 79 86.815 -8.449 -1.976 1.00 0.00 C ATOM 1194 CG1 VAL C 79 88.204 -9.036 -2.234 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.800 -9.586 -1.843 1.00 0.00 C ATOM 0 H VAL C 79 84.745 -7.553 -0.879 1.00 0.00 H new ATOM 0 HA VAL C 79 87.117 -8.279 0.150 1.00 0.00 H new ATOM 0 HB VAL C 79 86.532 -7.803 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL C 79 88.188 -9.618 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.929 -8.227 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL C 79 88.486 -9.682 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL C 79 85.783 -10.168 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL C 79 86.083 -10.231 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.810 -9.170 -1.658 1.00 0.00 H new ATOM 1205 N MET C 80 87.514 -5.504 -1.617 1.00 0.00 N ATOM 1206 CA MET C 80 88.413 -4.373 -1.834 1.00 0.00 C ATOM 1207 C MET C 80 88.968 -3.871 -0.505 1.00 0.00 C ATOM 1208 O MET C 80 90.093 -3.377 -0.431 1.00 0.00 O ATOM 1209 CB MET C 80 87.676 -3.229 -2.529 1.00 0.00 C ATOM 1210 CG MET C 80 88.694 -2.295 -3.183 1.00 0.00 C ATOM 1211 SD MET C 80 89.007 -0.887 -2.090 1.00 0.00 S ATOM 1212 CE MET C 80 88.846 0.403 -3.347 1.00 0.00 C ATOM 0 H MET C 80 86.626 -5.445 -2.115 1.00 0.00 H new ATOM 0 HA MET C 80 89.234 -4.713 -2.466 1.00 0.00 H new ATOM 0 HB2 MET C 80 86.993 -3.625 -3.281 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.072 -2.679 -1.808 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.623 -2.831 -3.379 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.319 -1.946 -4.145 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.004 1.379 -2.889 1.00 0.00 H new ATOM 0 HE2 MET C 80 89.589 0.245 -4.128 1.00 0.00 H new ATOM 0 HE3 MET C 80 87.848 0.364 -3.783 1.00 0.00 H new ATOM 1222 N MET C 81 88.163 -4.006 0.544 1.00 0.00 N ATOM 1223 CA MET C 81 88.575 -3.566 1.874 1.00 0.00 C ATOM 1224 C MET C 81 89.503 -4.598 2.508 1.00 0.00 C ATOM 1225 O MET C 81 90.393 -4.261 3.288 1.00 0.00 O ATOM 1226 CB MET C 81 87.356 -3.377 2.781 1.00 0.00 C ATOM 1227 CG MET C 81 86.234 -2.683 2.005 1.00 0.00 C ATOM 1228 SD MET C 81 86.067 -0.977 2.584 1.00 0.00 S ATOM 1229 CE MET C 81 87.410 -0.271 1.597 1.00 0.00 C ATOM 0 H MET C 81 87.229 -4.413 0.501 1.00 0.00 H new ATOM 0 HA MET C 81 89.098 -2.616 1.766 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.012 -4.344 3.149 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.629 -2.783 3.653 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.453 -2.696 0.937 1.00 0.00 H new ATOM 0 HG3 MET C 81 85.295 -3.219 2.144 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.255 0.802 1.486 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.362 -0.450 2.097 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.423 -0.739 0.613 1.00 0.00 H new ATOM 1239 N VAL C 82 89.277 -5.862 2.163 1.00 0.00 N ATOM 1240 CA VAL C 82 90.091 -6.949 2.702 1.00 0.00 C ATOM 1241 C VAL C 82 91.337 -7.164 1.848 1.00 0.00 C ATOM 1242 O VAL C 82 92.229 -7.931 2.210 1.00 0.00 O ATOM 1243 CB VAL C 82 89.285 -8.248 2.735 1.00 0.00 C ATOM 1244 CG1 VAL C 82 90.009 -9.276 3.603 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.899 -7.972 3.322 1.00 0.00 C ATOM 0 H VAL C 82 88.544 -6.158 1.519 1.00 0.00 H new ATOM 0 HA VAL C 82 90.389 -6.674 3.714 1.00 0.00 H new ATOM 0 HB VAL C 82 89.181 -8.637 1.722 1.00 0.00 H new ATOM 0 HG11 VAL C 82 89.434 -10.202 3.626 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.997 -9.473 3.187 1.00 0.00 H new ATOM 0 HG13 VAL C 82 90.113 -8.888 4.616 1.00 0.00 H new ATOM 0 HG21 VAL C 82 87.323 -8.897 3.346 1.00 0.00 H new ATOM 0 HG22 VAL C 82 88.004 -7.583 4.335 1.00 0.00 H new ATOM 0 HG23 VAL C 82 87.381 -7.239 2.704 1.00 0.00 H new ATOM 1255 N ARG C 83 91.386 -6.482 0.708 1.00 0.00 N ATOM 1256 CA ARG C 83 92.526 -6.610 -0.197 1.00 0.00 C ATOM 1257 C ARG C 83 93.680 -5.718 0.254 1.00 0.00 C ATOM 1258 O ARG C 83 94.817 -6.170 0.388 1.00 0.00 O ATOM 1259 CB ARG C 83 92.126 -6.214 -1.621 1.00 0.00 C ATOM 1260 CG ARG C 83 92.360 -7.395 -2.567 1.00 0.00 C ATOM 1261 CD ARG C 83 91.847 -7.039 -3.964 1.00 0.00 C ATOM 1262 NE ARG C 83 92.659 -7.686 -4.991 1.00 0.00 N ATOM 1263 CZ ARG C 83 92.624 -9.004 -5.161 1.00 0.00 C ATOM 1264 NH1 ARG C 83 91.859 -9.740 -4.402 1.00 0.00 N ATOM 1265 NH2 ARG C 83 93.356 -9.562 -6.087 1.00 0.00 N ATOM 0 H ARG C 83 90.659 -5.841 0.390 1.00 0.00 H new ATOM 0 HA ARG C 83 92.846 -7.652 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.077 -5.917 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.709 -5.353 -1.947 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.422 -7.637 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG C 83 91.846 -8.281 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.807 -7.350 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.871 -5.958 -4.101 1.00 0.00 H new ATOM 0 HE ARG C 83 93.262 -7.118 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG C 83 91.288 -9.304 -3.678 1.00 0.00 H new ATOM 0 HH12 ARG C 83 91.832 -10.751 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.954 -8.987 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG C 83 93.329 -10.573 -6.218 1.00 0.00 H new ATOM 1279 N CYS C 84 93.376 -4.443 0.479 1.00 0.00 N ATOM 1280 CA CYS C 84 94.397 -3.489 0.905 1.00 0.00 C ATOM 1281 C CYS C 84 94.837 -3.768 2.339 1.00 0.00 C ATOM 1282 O CYS C 84 96.000 -3.573 2.694 1.00 0.00 O ATOM 1283 CB CYS C 84 93.860 -2.059 0.819 1.00 0.00 C ATOM 1284 SG CYS C 84 93.558 -1.632 -0.913 1.00 0.00 S ATOM 0 H CYS C 84 92.441 -4.049 0.375 1.00 0.00 H new ATOM 0 HA CYS C 84 95.253 -3.600 0.239 1.00 0.00 H new ATOM 0 HB2 CYS C 84 92.938 -1.970 1.393 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.576 -1.363 1.257 1.00 0.00 H new ATOM 0 HG CYS C 84 93.099 -0.418 -0.987 1.00 0.00 H new ATOM 1290 N MET C 85 93.895 -4.222 3.160 1.00 0.00 N ATOM 1291 CA MET C 85 94.197 -4.521 4.558 1.00 0.00 C ATOM 1292 C MET C 85 94.956 -5.839 4.678 1.00 0.00 C ATOM 1293 O MET C 85 95.441 -6.197 5.752 1.00 0.00 O ATOM 1294 CB MET C 85 92.906 -4.608 5.373 1.00 0.00 C ATOM 1295 CG MET C 85 92.225 -3.239 5.392 1.00 0.00 C ATOM 1296 SD MET C 85 90.841 -3.266 6.557 1.00 0.00 S ATOM 1297 CE MET C 85 89.617 -2.498 5.468 1.00 0.00 C ATOM 0 H MET C 85 92.927 -4.390 2.887 1.00 0.00 H new ATOM 0 HA MET C 85 94.820 -3.715 4.946 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.238 -5.353 4.939 1.00 0.00 H new ATOM 0 HB3 MET C 85 93.126 -4.931 6.390 1.00 0.00 H new ATOM 0 HG2 MET C 85 92.941 -2.469 5.680 1.00 0.00 H new ATOM 0 HG3 MET C 85 91.868 -2.985 4.394 1.00 0.00 H new ATOM 0 HE1 MET C 85 89.018 -1.788 6.038 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.127 -1.976 4.659 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.968 -3.268 5.051 1.00 0.00 H new ATOM 1307 N LYS C 86 95.057 -6.558 3.563 1.00 0.00 N ATOM 1308 CA LYS C 86 95.763 -7.836 3.556 1.00 0.00 C ATOM 1309 C LYS C 86 97.144 -7.674 2.927 1.00 0.00 C ATOM 1310 O LYS C 86 98.122 -8.268 3.381 1.00 0.00 O ATOM 1311 CB LYS C 86 94.973 -8.881 2.766 1.00 0.00 C ATOM 1312 CG LYS C 86 94.132 -9.722 3.728 1.00 0.00 C ATOM 1313 CD LYS C 86 94.191 -11.192 3.305 1.00 0.00 C ATOM 1314 CE LYS C 86 94.412 -12.073 4.537 1.00 0.00 C ATOM 1315 NZ LYS C 86 94.218 -13.504 4.164 1.00 0.00 N ATOM 0 H LYS C 86 94.664 -6.282 2.663 1.00 0.00 H new ATOM 0 HA LYS C 86 95.869 -8.169 4.588 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.328 -8.390 2.037 1.00 0.00 H new ATOM 0 HB3 LYS C 86 95.655 -9.522 2.207 1.00 0.00 H new ATOM 0 HG2 LYS C 86 94.504 -9.610 4.746 1.00 0.00 H new ATOM 0 HG3 LYS C 86 93.099 -9.373 3.726 1.00 0.00 H new ATOM 0 HD2 LYS C 86 93.264 -11.474 2.805 1.00 0.00 H new ATOM 0 HD3 LYS C 86 94.998 -11.342 2.588 1.00 0.00 H new ATOM 0 HE2 LYS C 86 95.417 -11.921 4.931 1.00 0.00 H new ATOM 0 HE3 LYS C 86 93.715 -11.794 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 94.368 -14.104 5.000 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.251 -13.642 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.900 -13.765 3.424 1.00 0.00 H new ATOM 1392 N ILE I 148 92.766 3.168 4.836 1.00 0.00 N ATOM 1393 CA ILE I 148 91.515 2.687 5.415 1.00 0.00 C ATOM 1394 C ILE I 148 91.780 1.982 6.741 1.00 0.00 C ATOM 1395 O ILE I 148 92.337 0.885 6.779 1.00 0.00 O ATOM 1396 CB ILE I 148 90.823 1.716 4.455 1.00 0.00 C ATOM 1397 CG1 ILE I 148 90.255 2.497 3.268 1.00 0.00 C ATOM 1398 CG2 ILE I 148 89.682 0.997 5.177 1.00 0.00 C ATOM 1399 CD1 ILE I 148 91.289 2.544 2.142 1.00 0.00 C ATOM 0 HA ILE I 148 90.867 3.546 5.588 1.00 0.00 H new ATOM 0 HB ILE I 148 91.547 0.981 4.103 1.00 0.00 H new ATOM 0 HG12 ILE I 148 89.339 2.025 2.914 1.00 0.00 H new ATOM 0 HG13 ILE I 148 89.993 3.509 3.577 1.00 0.00 H new ATOM 0 HG21 ILE I 148 89.193 0.307 4.489 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.081 0.441 6.025 1.00 0.00 H new ATOM 0 HG23 ILE I 148 88.957 1.730 5.532 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.882 3.101 1.298 1.00 0.00 H new ATOM 0 HD12 ILE I 148 92.194 3.036 2.499 1.00 0.00 H new ATOM 0 HD13 ILE I 148 91.529 1.529 1.826 1.00 0.00 H new ATOM 1411 N SER I 149 91.370 2.628 7.828 1.00 0.00 N ATOM 1412 CA SER I 149 91.562 2.058 9.157 1.00 0.00 C ATOM 1413 C SER I 149 90.214 1.805 9.827 1.00 0.00 C ATOM 1414 O SER I 149 90.138 1.575 11.033 1.00 0.00 O ATOM 1415 CB SER I 149 92.386 3.005 10.030 1.00 0.00 C ATOM 1416 OG SER I 149 93.756 2.634 9.958 1.00 0.00 O ATOM 0 H SER I 149 90.907 3.537 7.816 1.00 0.00 H new ATOM 0 HA SER I 149 92.094 1.113 9.046 1.00 0.00 H new ATOM 0 HB2 SER I 149 92.257 4.034 9.693 1.00 0.00 H new ATOM 0 HB3 SER I 149 92.039 2.962 11.062 1.00 0.00 H new ATOM 0 HG SER I 149 94.289 3.240 10.515 1.00 0.00 H new ATOM 1422 N ALA I 150 89.150 1.851 9.028 1.00 0.00 N ATOM 1423 CA ALA I 150 87.804 1.624 9.552 1.00 0.00 C ATOM 1424 C ALA I 150 87.261 2.896 10.196 1.00 0.00 C ATOM 1425 O ALA I 150 86.169 3.358 9.866 1.00 0.00 O ATOM 1426 CB ALA I 150 87.815 0.503 10.593 1.00 0.00 C ATOM 0 H ALA I 150 89.191 2.041 8.027 1.00 0.00 H new ATOM 0 HA ALA I 150 87.163 1.337 8.718 1.00 0.00 H new ATOM 0 HB1 ALA I 150 86.805 0.348 10.972 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.175 -0.417 10.133 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.473 0.778 11.417 1.00 0.00 H new ATOM 1432 N ASP I 151 88.037 3.456 11.119 1.00 0.00 N ATOM 1433 CA ASP I 151 87.626 4.678 11.805 1.00 0.00 C ATOM 1434 C ASP I 151 87.651 5.859 10.841 1.00 0.00 C ATOM 1435 O ASP I 151 86.981 6.870 11.054 1.00 0.00 O ATOM 1436 CB ASP I 151 88.563 4.974 12.978 1.00 0.00 C ATOM 1437 CG ASP I 151 90.010 4.856 12.512 1.00 0.00 C ATOM 1438 OD1 ASP I 151 90.530 3.753 12.535 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.576 5.870 12.138 1.00 0.00 O ATOM 0 H ASP I 151 88.944 3.089 11.407 1.00 0.00 H new ATOM 0 HA ASP I 151 86.612 4.532 12.179 1.00 0.00 H new ATOM 0 HB2 ASP I 151 88.374 5.975 13.365 1.00 0.00 H new ATOM 0 HB3 ASP I 151 88.374 4.276 13.794 1.00 0.00 H new ATOM 1444 N ALA I 152 88.435 5.718 9.774 1.00 0.00 N ATOM 1445 CA ALA I 152 88.547 6.778 8.776 1.00 0.00 C ATOM 1446 C ALA I 152 87.173 7.127 8.215 1.00 0.00 C ATOM 1447 O ALA I 152 86.759 8.285 8.226 1.00 0.00 O ATOM 1448 CB ALA I 152 89.457 6.339 7.626 1.00 0.00 C ATOM 0 H ALA I 152 88.997 4.889 9.580 1.00 0.00 H new ATOM 0 HA ALA I 152 88.976 7.654 9.263 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.529 7.142 6.892 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.450 6.112 8.014 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.041 5.450 7.152 1.00 0.00 H new ATOM 1454 N MET I 153 86.474 6.109 7.721 1.00 0.00 N ATOM 1455 CA MET I 153 85.145 6.319 7.151 1.00 0.00 C ATOM 1456 C MET I 153 84.097 6.448 8.254 1.00 0.00 C ATOM 1457 O MET I 153 83.150 7.225 8.139 1.00 0.00 O ATOM 1458 CB MET I 153 84.759 5.157 6.230 1.00 0.00 C ATOM 1459 CG MET I 153 85.212 3.831 6.848 1.00 0.00 C ATOM 1460 SD MET I 153 83.980 2.553 6.501 1.00 0.00 S ATOM 1461 CE MET I 153 84.066 2.641 4.697 1.00 0.00 C ATOM 0 H MET I 153 86.799 5.142 7.703 1.00 0.00 H new ATOM 0 HA MET I 153 85.178 7.243 6.573 1.00 0.00 H new ATOM 0 HB2 MET I 153 83.680 5.147 6.075 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.220 5.289 5.251 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.180 3.539 6.440 1.00 0.00 H new ATOM 0 HG3 MET I 153 85.341 3.944 7.924 1.00 0.00 H new ATOM 0 HE1 MET I 153 83.511 1.808 4.265 1.00 0.00 H new ATOM 0 HE2 MET I 153 83.632 3.581 4.357 1.00 0.00 H new ATOM 0 HE3 MET I 153 85.107 2.587 4.379 1.00 0.00 H new ATOM 1471 N MET I 154 84.277 5.675 9.322 1.00 0.00 N ATOM 1472 CA MET I 154 83.339 5.705 10.442 1.00 0.00 C ATOM 1473 C MET I 154 82.833 7.124 10.689 1.00 0.00 C ATOM 1474 O MET I 154 81.698 7.327 11.117 1.00 0.00 O ATOM 1475 CB MET I 154 84.012 5.189 11.716 1.00 0.00 C ATOM 1476 CG MET I 154 82.988 4.437 12.566 1.00 0.00 C ATOM 1477 SD MET I 154 83.270 2.656 12.415 1.00 0.00 S ATOM 1478 CE MET I 154 81.533 2.160 12.320 1.00 0.00 C ATOM 0 H MET I 154 85.056 5.026 9.436 1.00 0.00 H new ATOM 0 HA MET I 154 82.496 5.063 10.186 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.842 4.530 11.460 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.429 6.022 12.282 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.071 4.742 13.609 1.00 0.00 H new ATOM 0 HG3 MET I 154 81.978 4.685 12.241 1.00 0.00 H new ATOM 0 HE1 MET I 154 81.455 1.081 12.454 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.967 2.664 13.103 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.129 2.435 11.346 1.00 0.00 H new ATOM 1488 N GLN I 155 83.691 8.103 10.416 1.00 0.00 N ATOM 1489 CA GLN I 155 83.325 9.504 10.615 1.00 0.00 C ATOM 1490 C GLN I 155 82.116 9.873 9.760 1.00 0.00 C ATOM 1491 O GLN I 155 81.216 10.586 10.205 1.00 0.00 O ATOM 1492 CB GLN I 155 84.494 10.416 10.238 1.00 0.00 C ATOM 1493 CG GLN I 155 84.379 11.740 10.997 1.00 0.00 C ATOM 1494 CD GLN I 155 85.768 12.339 11.188 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.400 12.139 12.226 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.287 13.069 10.239 1.00 0.00 N ATOM 0 H GLN I 155 84.635 7.956 10.060 1.00 0.00 H new ATOM 0 HA GLN I 155 83.077 9.639 11.668 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.440 9.929 10.477 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.493 10.600 9.164 1.00 0.00 H new ATOM 0 HG2 GLN I 155 83.745 12.434 10.445 1.00 0.00 H new ATOM 0 HG3 GLN I 155 83.906 11.577 11.965 1.00 0.00 H new ATOM 0 HE21 GLN I 155 85.764 13.235 9.379 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.216 13.474 10.357 1.00 0.00 H new ATOM 1505 N ALA I 156 82.108 9.385 8.523 1.00 0.00 N ATOM 1506 CA ALA I 156 81.009 9.673 7.604 1.00 0.00 C ATOM 1507 C ALA I 156 79.824 8.753 7.872 1.00 0.00 C ATOM 1508 O ALA I 156 78.679 9.087 7.567 1.00 0.00 O ATOM 1509 CB ALA I 156 81.461 9.487 6.155 1.00 0.00 C ATOM 0 H ALA I 156 82.843 8.793 8.135 1.00 0.00 H new ATOM 0 HA ALA I 156 80.706 10.708 7.764 1.00 0.00 H new ATOM 0 HB1 ALA I 156 80.630 9.706 5.484 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.288 10.165 5.942 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.788 8.458 6.005 1.00 0.00 H new ATOM 1515 N LEU I 157 80.110 7.587 8.442 1.00 0.00 N ATOM 1516 CA LEU I 157 79.057 6.622 8.744 1.00 0.00 C ATOM 1517 C LEU I 157 78.218 7.101 9.923 1.00 0.00 C ATOM 1518 O LEU I 157 77.109 7.606 9.750 1.00 0.00 O ATOM 1519 CB LEU I 157 79.659 5.257 9.078 1.00 0.00 C ATOM 1520 CG LEU I 157 80.049 4.546 7.782 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.866 5.496 6.904 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.887 3.310 8.113 1.00 0.00 C ATOM 0 H LEU I 157 81.050 7.289 8.702 1.00 0.00 H new ATOM 0 HA LEU I 157 78.423 6.529 7.862 1.00 0.00 H new ATOM 0 HB2 LEU I 157 80.534 5.379 9.717 1.00 0.00 H new ATOM 0 HB3 LEU I 157 78.940 4.656 9.634 1.00 0.00 H new ATOM 0 HG LEU I 157 79.148 4.243 7.248 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.144 4.989 5.980 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.270 6.378 6.669 1.00 0.00 H new ATOM 0 HD13 LEU I 157 81.767 5.799 7.437 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.166 2.802 7.190 1.00 0.00 H new ATOM 0 HD22 LEU I 157 81.788 3.613 8.647 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.305 2.633 8.738 1.00 0.00 H new