USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 981 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 79 TYR OH : rot 162:sc= 0 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 142:sc= 1.3 (180deg=1.12) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.981 USER MOD Set 3.1: A 52 SER OG : rot 162:sc= 1.08 USER MOD Set 3.2: A 55 THR OG1 : rot 110:sc= 1.07 USER MOD Set 3.3: A 57 THR OG1 : rot 180:sc= 1.96 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 32:sc= 1.28 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 16 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 141:sc= -0.394 (180deg=-0.919) USER MOD Single : A 33 TYR OH : rot 13:sc= 1.24 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 45 MET CE :methyl -158:sc= -0.478 (180deg=-0.857) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= 0.409 (180deg=0.0566) USER MOD Single : A 68 MET CE :methyl -173:sc= 0 (180deg=-0.0665) USER MOD Single : A 74 CYS SG : rot 81:sc= 0.283 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 172:sc= -0.0592 (180deg=-0.138) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 150:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 141:sc= 1.9 USER MOD Single : A 109 THR OG1 : rot 130:sc= 0.602 USER MOD Single : A 110 GLN : amide:sc= 1.29 K(o=1.3,f=-0.11) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -92:sc= 0.656 USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.862 -0.490 -6.396 1.00 0.00 N ATOM 2 CA MET A 1 10.829 -0.201 -4.942 1.00 0.00 C ATOM 3 C MET A 1 10.621 1.302 -4.721 1.00 0.00 C ATOM 4 O MET A 1 11.378 2.120 -5.253 1.00 0.00 O ATOM 5 CB MET A 1 12.106 -0.717 -4.242 1.00 0.00 C ATOM 6 CG MET A 1 12.029 -0.610 -2.712 1.00 0.00 C ATOM 7 SD MET A 1 13.481 -1.274 -1.848 1.00 0.00 S ATOM 8 CE MET A 1 12.996 -0.923 -0.135 1.00 0.00 C ATOM 0 H1 MET A 1 11.003 -1.510 -6.544 1.00 0.00 H new ATOM 0 H2 MET A 1 9.962 -0.199 -6.828 1.00 0.00 H new ATOM 0 H3 MET A 1 11.644 0.035 -6.837 1.00 0.00 H new ATOM 0 HA MET A 1 9.990 -0.732 -4.491 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.273 -1.757 -4.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.965 -0.149 -4.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.904 0.437 -2.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.141 -1.138 -2.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.778 -1.267 0.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.854 0.150 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.065 -1.441 0.093 1.00 0.00 H new ATOM 20 N ALA A 2 9.584 1.678 -3.961 1.00 0.00 N ATOM 21 CA ALA A 2 9.308 3.073 -3.616 1.00 0.00 C ATOM 22 C ALA A 2 10.421 3.662 -2.734 1.00 0.00 C ATOM 23 O ALA A 2 11.173 2.933 -2.082 1.00 0.00 O ATOM 24 CB ALA A 2 7.955 3.167 -2.893 1.00 0.00 C ATOM 0 H ALA A 2 8.912 1.018 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 2 9.271 3.654 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.751 4.207 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.167 2.793 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.987 2.568 -1.983 1.00 0.00 H new ATOM 30 N SER A 3 10.439 4.990 -2.644 1.00 0.00 N ATOM 31 CA SER A 3 11.336 5.787 -1.811 1.00 0.00 C ATOM 32 C SER A 3 10.529 6.681 -0.854 1.00 0.00 C ATOM 33 O SER A 3 11.020 7.705 -0.376 1.00 0.00 O ATOM 34 CB SER A 3 12.279 6.603 -2.705 1.00 0.00 C ATOM 35 OG SER A 3 12.938 5.779 -3.658 1.00 0.00 O ATOM 0 H SER A 3 9.793 5.570 -3.179 1.00 0.00 H new ATOM 0 HA SER A 3 11.946 5.127 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.712 7.377 -3.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.020 7.110 -2.087 1.00 0.00 H new ATOM 0 HG SER A 3 13.530 6.329 -4.213 1.00 0.00 H new ATOM 41 N VAL A 4 9.283 6.293 -0.571 1.00 0.00 N ATOM 42 CA VAL A 4 8.436 6.882 0.453 1.00 0.00 C ATOM 43 C VAL A 4 7.704 5.714 1.120 1.00 0.00 C ATOM 44 O VAL A 4 7.490 4.668 0.492 1.00 0.00 O ATOM 45 CB VAL A 4 7.526 7.969 -0.168 1.00 0.00 C ATOM 46 CG1 VAL A 4 6.470 7.409 -1.133 1.00 0.00 C ATOM 47 CG2 VAL A 4 6.829 8.825 0.898 1.00 0.00 C ATOM 0 H VAL A 4 8.825 5.531 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 4 8.991 7.417 1.223 1.00 0.00 H new ATOM 0 HB VAL A 4 8.207 8.596 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.869 8.227 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.966 6.892 -1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.825 6.710 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.202 9.573 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.210 8.187 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.579 9.324 1.512 1.00 0.00 H new ATOM 57 N GLU A 5 7.368 5.886 2.397 1.00 0.00 N ATOM 58 CA GLU A 5 6.741 4.878 3.246 1.00 0.00 C ATOM 59 C GLU A 5 5.357 4.475 2.709 1.00 0.00 C ATOM 60 O GLU A 5 4.846 5.081 1.762 1.00 0.00 O ATOM 61 CB GLU A 5 6.666 5.423 4.686 1.00 0.00 C ATOM 62 CG GLU A 5 8.049 5.727 5.294 1.00 0.00 C ATOM 63 CD GLU A 5 8.895 4.458 5.507 1.00 0.00 C ATOM 64 OE1 GLU A 5 8.650 3.714 6.484 1.00 0.00 O ATOM 65 OE2 GLU A 5 9.828 4.200 4.713 1.00 0.00 O ATOM 0 H GLU A 5 7.532 6.766 2.886 1.00 0.00 H new ATOM 0 HA GLU A 5 7.343 3.970 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.066 6.333 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.151 4.697 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.587 6.412 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.918 6.236 6.249 1.00 0.00 H new ATOM 72 N ARG A 6 4.752 3.438 3.311 1.00 0.00 N ATOM 73 CA ARG A 6 3.541 2.788 2.804 1.00 0.00 C ATOM 74 C ARG A 6 2.432 3.790 2.512 1.00 0.00 C ATOM 75 O ARG A 6 1.849 3.734 1.432 1.00 0.00 O ATOM 76 CB ARG A 6 3.098 1.654 3.760 1.00 0.00 C ATOM 77 CG ARG A 6 2.734 2.058 5.210 1.00 0.00 C ATOM 78 CD ARG A 6 1.236 2.318 5.455 1.00 0.00 C ATOM 79 NE ARG A 6 0.451 1.075 5.443 1.00 0.00 N ATOM 80 CZ ARG A 6 0.180 0.266 6.471 1.00 0.00 C ATOM 81 NH1 ARG A 6 0.640 0.511 7.696 1.00 0.00 N ATOM 82 NH2 ARG A 6 -0.567 -0.800 6.225 1.00 0.00 N ATOM 0 H ARG A 6 5.099 3.024 4.176 1.00 0.00 H new ATOM 0 HA ARG A 6 3.775 2.329 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.233 1.158 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.899 0.917 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.066 1.269 5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.291 2.957 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.107 2.819 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.856 2.994 4.689 1.00 0.00 H new ATOM 0 HE ARG A 6 0.067 0.796 4.540 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.216 1.335 7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.416 -0.125 8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.910 -0.975 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.799 -1.445 6.980 1.00 0.00 H new ATOM 96 N ASP A 7 2.214 4.720 3.449 1.00 0.00 N ATOM 97 CA ASP A 7 1.109 5.674 3.556 1.00 0.00 C ATOM 98 C ASP A 7 -0.274 5.019 3.427 1.00 0.00 C ATOM 99 O ASP A 7 -0.997 4.923 4.416 1.00 0.00 O ATOM 100 CB ASP A 7 1.307 6.850 2.593 1.00 0.00 C ATOM 101 CG ASP A 7 0.263 7.934 2.874 1.00 0.00 C ATOM 102 OD1 ASP A 7 -0.914 7.725 2.510 1.00 0.00 O ATOM 103 OD2 ASP A 7 0.620 8.977 3.468 1.00 0.00 O ATOM 0 H ASP A 7 2.869 4.832 4.223 1.00 0.00 H new ATOM 0 HA ASP A 7 1.130 6.075 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.310 7.260 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.219 6.506 1.562 1.00 0.00 H new ATOM 108 N GLU A 8 -0.591 4.496 2.243 1.00 0.00 N ATOM 109 CA GLU A 8 -1.810 3.840 1.768 1.00 0.00 C ATOM 110 C GLU A 8 -3.101 4.647 1.885 1.00 0.00 C ATOM 111 O GLU A 8 -3.993 4.477 1.054 1.00 0.00 O ATOM 112 CB GLU A 8 -1.979 2.427 2.354 1.00 0.00 C ATOM 113 CG GLU A 8 -0.833 1.474 1.988 1.00 0.00 C ATOM 114 CD GLU A 8 -1.180 0.020 2.347 1.00 0.00 C ATOM 115 OE1 GLU A 8 -0.975 -0.369 3.519 1.00 0.00 O ATOM 116 OE2 GLU A 8 -1.645 -0.743 1.469 1.00 0.00 O ATOM 0 H GLU A 8 0.098 4.528 1.491 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.642 3.760 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.050 2.498 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.920 2.005 2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.623 1.547 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.074 1.774 2.513 1.00 0.00 H new ATOM 123 N THR A 9 -3.197 5.571 2.830 1.00 0.00 N ATOM 124 CA THR A 9 -4.291 6.504 2.949 1.00 0.00 C ATOM 125 C THR A 9 -4.426 7.342 1.671 1.00 0.00 C ATOM 126 O THR A 9 -5.511 7.468 1.099 1.00 0.00 O ATOM 127 CB THR A 9 -4.011 7.336 4.214 1.00 0.00 C ATOM 128 OG1 THR A 9 -2.653 7.677 4.451 1.00 0.00 O ATOM 129 CG2 THR A 9 -4.404 6.527 5.461 1.00 0.00 C ATOM 0 H THR A 9 -2.489 5.690 3.555 1.00 0.00 H new ATOM 0 HA THR A 9 -5.255 6.006 3.055 1.00 0.00 H new ATOM 0 HB THR A 9 -4.583 8.248 4.042 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.187 7.780 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.205 7.117 6.355 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.465 6.282 5.416 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.821 5.607 5.497 1.00 0.00 H new ATOM 137 N ARG A 10 -3.301 7.848 1.170 1.00 0.00 N ATOM 138 CA ARG A 10 -3.247 8.619 -0.065 1.00 0.00 C ATOM 139 C ARG A 10 -3.455 7.708 -1.261 1.00 0.00 C ATOM 140 O ARG A 10 -4.165 8.108 -2.174 1.00 0.00 O ATOM 141 CB ARG A 10 -1.918 9.383 -0.182 1.00 0.00 C ATOM 142 CG ARG A 10 -1.865 10.572 0.791 1.00 0.00 C ATOM 143 CD ARG A 10 -0.521 11.302 0.690 1.00 0.00 C ATOM 144 NE ARG A 10 -0.498 12.534 1.501 1.00 0.00 N ATOM 145 CZ ARG A 10 -0.971 13.736 1.137 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.516 13.934 -0.055 1.00 0.00 N ATOM 147 NH2 ARG A 10 -0.900 14.769 1.971 1.00 0.00 N ATOM 0 H ARG A 10 -2.392 7.731 1.617 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.051 9.355 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.089 8.706 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.792 9.741 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.677 11.265 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.016 10.219 1.811 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.278 10.637 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.321 11.550 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.082 12.466 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.583 13.163 -0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.868 14.857 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.484 14.651 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.262 15.679 1.687 1.00 0.00 H new ATOM 161 N GLU A 11 -2.910 6.486 -1.264 1.00 0.00 N ATOM 162 CA GLU A 11 -3.116 5.553 -2.372 1.00 0.00 C ATOM 163 C GLU A 11 -4.613 5.273 -2.550 1.00 0.00 C ATOM 164 O GLU A 11 -5.111 5.290 -3.675 1.00 0.00 O ATOM 165 CB GLU A 11 -2.351 4.234 -2.170 1.00 0.00 C ATOM 166 CG GLU A 11 -0.824 4.393 -2.034 1.00 0.00 C ATOM 167 CD GLU A 11 -0.069 3.048 -2.084 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.665 1.978 -1.834 1.00 0.00 O ATOM 169 OE2 GLU A 11 1.135 3.047 -2.435 1.00 0.00 O ATOM 0 H GLU A 11 -2.324 6.123 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.722 6.022 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.733 3.741 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.561 3.575 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.459 5.038 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.599 4.894 -1.093 1.00 0.00 H new ATOM 176 N HIS A 12 -5.344 5.075 -1.446 1.00 0.00 N ATOM 177 CA HIS A 12 -6.785 4.869 -1.479 1.00 0.00 C ATOM 178 C HIS A 12 -7.499 6.103 -2.037 1.00 0.00 C ATOM 179 O HIS A 12 -8.375 5.967 -2.893 1.00 0.00 O ATOM 180 CB HIS A 12 -7.289 4.521 -0.070 1.00 0.00 C ATOM 181 CG HIS A 12 -8.769 4.226 -0.025 1.00 0.00 C ATOM 182 ND1 HIS A 12 -9.780 5.130 0.220 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.360 3.009 -0.240 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.950 4.472 0.154 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.748 3.169 -0.121 1.00 0.00 N ATOM 0 H HIS A 12 -4.946 5.054 -0.507 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.011 4.035 -2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.741 3.655 0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.069 5.350 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.846 2.086 -0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.919 4.926 0.301 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.460 2.446 -0.222 1.00 0.00 H new ATOM 193 N ARG A 13 -7.137 7.312 -1.590 1.00 0.00 N ATOM 194 CA ARG A 13 -7.764 8.536 -2.096 1.00 0.00 C ATOM 195 C ARG A 13 -7.467 8.744 -3.579 1.00 0.00 C ATOM 196 O ARG A 13 -8.376 9.092 -4.325 1.00 0.00 O ATOM 197 CB ARG A 13 -7.350 9.759 -1.274 1.00 0.00 C ATOM 198 CG ARG A 13 -8.002 9.720 0.120 1.00 0.00 C ATOM 199 CD ARG A 13 -7.937 11.083 0.809 1.00 0.00 C ATOM 200 NE ARG A 13 -8.815 12.053 0.137 1.00 0.00 N ATOM 201 CZ ARG A 13 -9.039 13.322 0.478 1.00 0.00 C ATOM 202 NH1 ARG A 13 -8.439 13.879 1.528 1.00 0.00 N ATOM 203 NH2 ARG A 13 -9.888 14.010 -0.272 1.00 0.00 N ATOM 0 H ARG A 13 -6.418 7.467 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.842 8.415 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.265 9.786 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.645 10.670 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.042 9.408 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.499 8.975 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.232 10.982 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.911 11.450 0.802 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.311 11.715 -0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.790 13.332 2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.629 14.852 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.339 13.565 -1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.091 14.985 -0.050 1.00 0.00 H new ATOM 217 N ILE A 14 -6.235 8.497 -4.028 1.00 0.00 N ATOM 218 CA ILE A 14 -5.863 8.552 -5.438 1.00 0.00 C ATOM 219 C ILE A 14 -6.787 7.604 -6.209 1.00 0.00 C ATOM 220 O ILE A 14 -7.466 8.026 -7.148 1.00 0.00 O ATOM 221 CB ILE A 14 -4.355 8.213 -5.581 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.465 9.356 -5.040 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.967 7.906 -7.037 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.035 8.920 -4.689 1.00 0.00 C ATOM 0 H ILE A 14 -5.460 8.250 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.992 9.548 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.185 7.317 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.419 10.151 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.934 9.778 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.903 7.674 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.542 7.052 -7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.180 8.774 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.474 9.777 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.068 8.147 -3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.546 8.525 -5.580 1.00 0.00 H new ATOM 236 N GLU A 15 -6.859 6.342 -5.780 1.00 0.00 N ATOM 237 CA GLU A 15 -7.644 5.311 -6.440 1.00 0.00 C ATOM 238 C GLU A 15 -9.124 5.697 -6.535 1.00 0.00 C ATOM 239 O GLU A 15 -9.733 5.478 -7.578 1.00 0.00 O ATOM 240 CB GLU A 15 -7.441 3.986 -5.689 1.00 0.00 C ATOM 241 CG GLU A 15 -8.215 2.818 -6.311 1.00 0.00 C ATOM 242 CD GLU A 15 -7.814 2.522 -7.768 1.00 0.00 C ATOM 243 OE1 GLU A 15 -6.607 2.517 -8.097 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.703 2.267 -8.610 1.00 0.00 O ATOM 0 H GLU A 15 -6.365 6.009 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.301 5.196 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.379 3.743 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.754 4.111 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.053 1.924 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.282 3.039 -6.274 1.00 0.00 H new ATOM 251 N THR A 16 -9.696 6.278 -5.479 1.00 0.00 N ATOM 252 CA THR A 16 -11.134 6.529 -5.386 1.00 0.00 C ATOM 253 C THR A 16 -11.558 7.929 -5.871 1.00 0.00 C ATOM 254 O THR A 16 -12.748 8.133 -6.119 1.00 0.00 O ATOM 255 CB THR A 16 -11.627 6.230 -3.955 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.874 6.911 -2.971 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.573 4.729 -3.646 1.00 0.00 C ATOM 0 H THR A 16 -9.172 6.589 -4.661 1.00 0.00 H new ATOM 0 HA THR A 16 -11.624 5.844 -6.078 1.00 0.00 H new ATOM 0 HB THR A 16 -12.658 6.582 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.053 6.410 -2.783 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.927 4.554 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.207 4.190 -4.350 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.546 4.375 -3.738 1.00 0.00 H new ATOM 265 N GLU A 17 -10.625 8.875 -6.049 1.00 0.00 N ATOM 266 CA GLU A 17 -10.964 10.275 -6.346 1.00 0.00 C ATOM 267 C GLU A 17 -10.210 10.855 -7.551 1.00 0.00 C ATOM 268 O GLU A 17 -10.615 11.907 -8.049 1.00 0.00 O ATOM 269 CB GLU A 17 -10.760 11.179 -5.113 1.00 0.00 C ATOM 270 CG GLU A 17 -11.546 10.733 -3.871 1.00 0.00 C ATOM 271 CD GLU A 17 -11.536 11.821 -2.784 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.510 11.989 -2.088 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.561 12.519 -2.607 1.00 0.00 O ATOM 0 H GLU A 17 -9.623 8.694 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.020 10.260 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.698 11.206 -4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.054 12.197 -5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.574 10.505 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.113 9.815 -3.474 1.00 0.00 H new ATOM 280 N ILE A 18 -9.159 10.194 -8.054 1.00 0.00 N ATOM 281 CA ILE A 18 -8.308 10.740 -9.119 1.00 0.00 C ATOM 282 C ILE A 18 -8.319 9.801 -10.332 1.00 0.00 C ATOM 283 O ILE A 18 -8.407 10.279 -11.463 1.00 0.00 O ATOM 284 CB ILE A 18 -6.881 11.034 -8.581 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.949 11.943 -7.327 1.00 0.00 C ATOM 286 CG2 ILE A 18 -6.004 11.677 -9.671 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.592 12.398 -6.779 1.00 0.00 C ATOM 0 H ILE A 18 -8.875 9.268 -7.735 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.708 11.696 -9.457 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.424 10.087 -8.296 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.540 12.826 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.481 11.410 -6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.010 11.873 -9.269 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.925 10.999 -10.521 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.456 12.614 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.746 13.028 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.002 11.526 -6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.062 12.964 -7.545 1.00 0.00 H new ATOM 299 N ILE A 19 -8.297 8.480 -10.119 1.00 0.00 N ATOM 300 CA ILE A 19 -8.204 7.486 -11.199 1.00 0.00 C ATOM 301 C ILE A 19 -9.320 6.433 -11.142 1.00 0.00 C ATOM 302 O ILE A 19 -9.251 5.417 -11.829 1.00 0.00 O ATOM 303 CB ILE A 19 -6.791 6.894 -11.273 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.398 6.221 -9.947 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.799 7.982 -11.737 1.00 0.00 C ATOM 306 CD1 ILE A 19 -4.953 5.763 -9.962 1.00 0.00 C ATOM 0 H ILE A 19 -8.343 8.067 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.375 8.003 -12.143 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.763 6.098 -12.017 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.551 6.920 -9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.050 5.366 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.795 7.561 -11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.092 8.345 -12.722 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.809 8.810 -11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.711 5.292 -9.009 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.807 5.045 -10.769 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.301 6.622 -10.119 1.00 0.00 H new ATOM 318 N VAL A 20 -10.368 6.683 -10.358 1.00 0.00 N ATOM 319 CA VAL A 20 -11.515 5.785 -10.206 1.00 0.00 C ATOM 320 C VAL A 20 -12.192 5.463 -11.549 1.00 0.00 C ATOM 321 O VAL A 20 -12.705 4.359 -11.737 1.00 0.00 O ATOM 322 CB VAL A 20 -12.479 6.398 -9.166 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.188 7.676 -9.645 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.507 5.384 -8.651 1.00 0.00 C ATOM 0 H VAL A 20 -10.446 7.532 -9.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.175 4.817 -9.839 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.832 6.688 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.846 8.044 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.445 8.437 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.776 7.454 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.160 5.866 -7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.104 5.015 -9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.989 4.549 -8.178 1.00 0.00 H new ATOM 334 N ASP A 21 -12.170 6.409 -12.496 1.00 0.00 N ATOM 335 CA ASP A 21 -12.837 6.300 -13.796 1.00 0.00 C ATOM 336 C ASP A 21 -11.867 5.814 -14.888 1.00 0.00 C ATOM 337 O ASP A 21 -12.176 5.878 -16.078 1.00 0.00 O ATOM 338 CB ASP A 21 -13.458 7.663 -14.142 1.00 0.00 C ATOM 339 CG ASP A 21 -14.365 7.615 -15.386 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.306 6.789 -15.429 1.00 0.00 O ATOM 341 OD2 ASP A 21 -14.191 8.453 -16.300 1.00 0.00 O ATOM 0 H ASP A 21 -11.675 7.293 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.627 5.551 -13.741 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.038 8.018 -13.290 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.661 8.387 -14.309 1.00 0.00 H new ATOM 346 N ALA A 22 -10.674 5.346 -14.501 1.00 0.00 N ATOM 347 CA ALA A 22 -9.571 5.045 -15.403 1.00 0.00 C ATOM 348 C ALA A 22 -8.940 3.706 -15.028 1.00 0.00 C ATOM 349 O ALA A 22 -8.938 3.321 -13.857 1.00 0.00 O ATOM 350 CB ALA A 22 -8.543 6.167 -15.262 1.00 0.00 C ATOM 0 H ALA A 22 -10.450 5.163 -13.523 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.924 4.976 -16.432 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.700 5.974 -15.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.004 7.118 -15.528 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.191 6.210 -14.231 1.00 0.00 H new ATOM 356 N GLU A 23 -8.337 3.015 -15.995 1.00 0.00 N ATOM 357 CA GLU A 23 -7.758 1.686 -15.801 1.00 0.00 C ATOM 358 C GLU A 23 -6.516 1.492 -16.675 1.00 0.00 C ATOM 359 O GLU A 23 -5.551 0.875 -16.219 1.00 0.00 O ATOM 360 CB GLU A 23 -8.786 0.587 -16.132 1.00 0.00 C ATOM 361 CG GLU A 23 -9.964 0.520 -15.149 1.00 0.00 C ATOM 362 CD GLU A 23 -10.870 -0.691 -15.438 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.621 -1.790 -14.891 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.855 -0.557 -16.200 1.00 0.00 O ATOM 0 H GLU A 23 -8.236 3.367 -16.947 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.470 1.608 -14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.173 0.756 -17.137 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.280 -0.378 -16.144 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.585 0.457 -14.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.548 1.438 -15.216 1.00 0.00 H new ATOM 371 N ASP A 24 -6.509 2.013 -17.906 1.00 0.00 N ATOM 372 CA ASP A 24 -5.336 1.952 -18.781 1.00 0.00 C ATOM 373 C ASP A 24 -4.362 3.053 -18.364 1.00 0.00 C ATOM 374 O ASP A 24 -4.755 4.010 -17.693 1.00 0.00 O ATOM 375 CB ASP A 24 -5.732 2.112 -20.258 1.00 0.00 C ATOM 376 CG ASP A 24 -4.786 1.344 -21.197 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.552 1.499 -21.081 1.00 0.00 O ATOM 378 OD2 ASP A 24 -5.278 0.578 -22.057 1.00 0.00 O ATOM 0 H ASP A 24 -7.312 2.486 -18.321 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.862 0.976 -18.679 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.752 1.755 -20.400 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.725 3.169 -20.522 1.00 0.00 H new ATOM 383 N LYS A 25 -3.102 2.978 -18.785 1.00 0.00 N ATOM 384 CA LYS A 25 -2.103 3.978 -18.403 1.00 0.00 C ATOM 385 C LYS A 25 -2.444 5.352 -18.971 1.00 0.00 C ATOM 386 O LYS A 25 -2.213 6.357 -18.304 1.00 0.00 O ATOM 387 CB LYS A 25 -0.686 3.527 -18.786 1.00 0.00 C ATOM 388 CG LYS A 25 -0.438 3.455 -20.302 1.00 0.00 C ATOM 389 CD LYS A 25 0.960 2.927 -20.651 1.00 0.00 C ATOM 390 CE LYS A 25 1.150 1.476 -20.185 1.00 0.00 C ATOM 391 NZ LYS A 25 2.473 0.927 -20.575 1.00 0.00 N ATOM 0 H LYS A 25 -2.747 2.237 -19.390 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.124 4.071 -17.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.035 4.215 -18.343 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.499 2.545 -18.351 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.189 2.810 -20.758 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.565 4.448 -20.734 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.113 2.987 -21.729 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.715 3.561 -20.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.045 1.428 -19.101 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.362 0.854 -20.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.555 -0.054 -20.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.565 0.947 -21.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.227 1.503 -20.149 1.00 0.00 H new ATOM 405 N GLU A 26 -3.023 5.395 -20.175 1.00 0.00 N ATOM 406 CA GLU A 26 -3.394 6.646 -20.821 1.00 0.00 C ATOM 407 C GLU A 26 -4.528 7.283 -20.019 1.00 0.00 C ATOM 408 O GLU A 26 -4.489 8.473 -19.713 1.00 0.00 O ATOM 409 CB GLU A 26 -3.828 6.390 -22.275 1.00 0.00 C ATOM 410 CG GLU A 26 -2.717 5.762 -23.131 1.00 0.00 C ATOM 411 CD GLU A 26 -3.144 5.631 -24.605 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.823 4.642 -24.964 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.788 6.504 -25.429 1.00 0.00 O ATOM 0 H GLU A 26 -3.245 4.564 -20.723 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.539 7.322 -20.847 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.697 5.733 -22.279 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.139 7.332 -22.727 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.817 6.373 -23.065 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.464 4.778 -22.736 1.00 0.00 H new ATOM 420 N GLU A 27 -5.512 6.474 -19.615 1.00 0.00 N ATOM 421 CA GLU A 27 -6.649 6.939 -18.838 1.00 0.00 C ATOM 422 C GLU A 27 -6.177 7.399 -17.463 1.00 0.00 C ATOM 423 O GLU A 27 -6.593 8.454 -16.994 1.00 0.00 O ATOM 424 CB GLU A 27 -7.675 5.813 -18.659 1.00 0.00 C ATOM 425 CG GLU A 27 -8.207 5.219 -19.967 1.00 0.00 C ATOM 426 CD GLU A 27 -9.187 4.065 -19.700 1.00 0.00 C ATOM 427 OE1 GLU A 27 -8.939 3.275 -18.762 1.00 0.00 O ATOM 428 OE2 GLU A 27 -10.196 3.943 -20.433 1.00 0.00 O ATOM 0 H GLU A 27 -5.536 5.476 -19.822 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.115 7.768 -19.371 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.220 5.015 -18.072 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.516 6.195 -18.080 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.707 5.996 -20.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.374 4.859 -20.570 1.00 0.00 H new ATOM 435 N ARG A 28 -5.317 6.619 -16.795 1.00 0.00 N ATOM 436 CA ARG A 28 -4.879 6.959 -15.439 1.00 0.00 C ATOM 437 C ARG A 28 -3.998 8.207 -15.441 1.00 0.00 C ATOM 438 O ARG A 28 -4.132 9.028 -14.532 1.00 0.00 O ATOM 439 CB ARG A 28 -4.250 5.740 -14.730 1.00 0.00 C ATOM 440 CG ARG A 28 -5.361 4.721 -14.418 1.00 0.00 C ATOM 441 CD ARG A 28 -5.028 3.603 -13.421 1.00 0.00 C ATOM 442 NE ARG A 28 -6.295 3.122 -12.835 1.00 0.00 N ATOM 443 CZ ARG A 28 -6.569 2.820 -11.562 1.00 0.00 C ATOM 444 NH1 ARG A 28 -5.617 2.578 -10.671 1.00 0.00 N ATOM 445 NH2 ARG A 28 -7.841 2.783 -11.197 1.00 0.00 N ATOM 0 H ARG A 28 -4.916 5.758 -17.168 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.753 7.220 -14.842 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.488 5.286 -15.364 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.755 6.052 -13.811 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.223 5.268 -14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.667 4.257 -15.356 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.507 2.788 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.364 3.974 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.067 3.004 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.636 2.619 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.865 2.351 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.573 2.981 -11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.089 2.556 -10.234 1.00 0.00 H new ATOM 459 N ALA A 29 -3.181 8.417 -16.476 1.00 0.00 N ATOM 460 CA ALA A 29 -2.474 9.674 -16.664 1.00 0.00 C ATOM 461 C ALA A 29 -3.471 10.828 -16.817 1.00 0.00 C ATOM 462 O ALA A 29 -3.301 11.870 -16.187 1.00 0.00 O ATOM 463 CB ALA A 29 -1.560 9.572 -17.887 1.00 0.00 C ATOM 0 H ALA A 29 -2.996 7.722 -17.199 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.860 9.877 -15.787 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.031 10.515 -18.026 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.838 8.770 -17.735 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.159 9.358 -18.772 1.00 0.00 H new ATOM 469 N MET A 30 -4.530 10.655 -17.616 1.00 0.00 N ATOM 470 CA MET A 30 -5.542 11.692 -17.795 1.00 0.00 C ATOM 471 C MET A 30 -6.348 11.949 -16.520 1.00 0.00 C ATOM 472 O MET A 30 -6.697 13.100 -16.258 1.00 0.00 O ATOM 473 CB MET A 30 -6.451 11.370 -18.988 1.00 0.00 C ATOM 474 CG MET A 30 -5.726 11.502 -20.336 1.00 0.00 C ATOM 475 SD MET A 30 -5.016 13.134 -20.709 1.00 0.00 S ATOM 476 CE MET A 30 -3.297 12.918 -20.156 1.00 0.00 C ATOM 0 H MET A 30 -4.705 9.803 -18.148 1.00 0.00 H new ATOM 0 HA MET A 30 -5.016 12.621 -18.015 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.835 10.355 -18.884 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.311 12.039 -18.975 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.924 10.764 -20.368 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.428 11.244 -21.129 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.625 13.419 -20.853 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.178 13.350 -19.162 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.057 11.855 -20.121 1.00 0.00 H new ATOM 486 N GLY A 31 -6.602 10.929 -15.698 1.00 0.00 N ATOM 487 CA GLY A 31 -7.263 11.089 -14.410 1.00 0.00 C ATOM 488 C GLY A 31 -6.477 12.057 -13.528 1.00 0.00 C ATOM 489 O GLY A 31 -7.033 13.049 -13.050 1.00 0.00 O ATOM 0 H GLY A 31 -6.351 9.964 -15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.277 11.462 -14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.348 10.122 -13.914 1.00 0.00 H new ATOM 493 N TRP A 32 -5.165 11.829 -13.397 1.00 0.00 N ATOM 494 CA TRP A 32 -4.275 12.770 -12.730 1.00 0.00 C ATOM 495 C TRP A 32 -4.323 14.144 -13.398 1.00 0.00 C ATOM 496 O TRP A 32 -4.482 15.143 -12.697 1.00 0.00 O ATOM 497 CB TRP A 32 -2.840 12.230 -12.713 1.00 0.00 C ATOM 498 CG TRP A 32 -2.526 11.298 -11.587 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.400 9.955 -11.662 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.236 11.648 -10.201 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.017 9.453 -10.433 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.886 10.459 -9.497 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.204 12.861 -9.480 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.496 10.485 -8.150 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.819 12.895 -8.126 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.456 11.709 -7.465 1.00 0.00 C ATOM 0 H TRP A 32 -4.699 10.993 -13.749 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.617 12.885 -11.701 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.651 11.714 -13.654 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.151 13.074 -12.668 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.573 9.363 -12.549 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.852 8.465 -10.242 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.480 13.780 -9.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.228 9.569 -7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.803 13.835 -7.594 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.147 11.740 -6.431 1.00 0.00 H new ATOM 517 N TYR A 33 -4.210 14.201 -14.728 1.00 0.00 N ATOM 518 CA TYR A 33 -4.097 15.461 -15.449 1.00 0.00 C ATOM 519 C TYR A 33 -5.290 16.368 -15.174 1.00 0.00 C ATOM 520 O TYR A 33 -5.102 17.512 -14.761 1.00 0.00 O ATOM 521 CB TYR A 33 -3.952 15.213 -16.955 1.00 0.00 C ATOM 522 CG TYR A 33 -3.915 16.500 -17.751 1.00 0.00 C ATOM 523 CD1 TYR A 33 -2.713 17.213 -17.876 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.103 17.030 -18.288 1.00 0.00 C ATOM 525 CE1 TYR A 33 -2.689 18.437 -18.562 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.100 18.279 -18.928 1.00 0.00 C ATOM 527 CZ TYR A 33 -3.883 18.981 -19.090 1.00 0.00 C ATOM 528 OH TYR A 33 -3.861 20.168 -19.754 1.00 0.00 O ATOM 0 H TYR A 33 -4.195 13.376 -15.328 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.200 15.966 -15.090 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.039 14.648 -17.141 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.783 14.599 -17.301 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.805 16.819 -17.444 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.024 16.471 -18.207 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.755 18.965 -18.687 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.023 18.702 -19.295 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.934 20.411 -19.959 1.00 0.00 H new ATOM 538 N TYR A 34 -6.514 15.880 -15.388 1.00 0.00 N ATOM 539 CA TYR A 34 -7.687 16.731 -15.284 1.00 0.00 C ATOM 540 C TYR A 34 -8.008 17.050 -13.824 1.00 0.00 C ATOM 541 O TYR A 34 -8.514 18.137 -13.551 1.00 0.00 O ATOM 542 CB TYR A 34 -8.876 16.110 -16.026 1.00 0.00 C ATOM 543 CG TYR A 34 -8.700 16.079 -17.538 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.636 17.284 -18.269 1.00 0.00 C ATOM 545 CD2 TYR A 34 -8.583 14.851 -18.217 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.485 17.263 -19.667 1.00 0.00 C ATOM 547 CE2 TYR A 34 -8.420 14.822 -19.614 1.00 0.00 C ATOM 548 CZ TYR A 34 -8.375 16.029 -20.348 1.00 0.00 C ATOM 549 OH TYR A 34 -8.226 15.991 -21.703 1.00 0.00 O ATOM 0 H TYR A 34 -6.711 14.909 -15.632 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.470 17.682 -15.770 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.028 15.093 -15.665 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.778 16.672 -15.785 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.703 18.229 -17.751 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.619 13.925 -17.662 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.453 18.190 -20.221 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.329 13.876 -20.127 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.166 15.059 -21.999 1.00 0.00 H new ATOM 559 N TYR A 35 -7.676 16.166 -12.874 1.00 0.00 N ATOM 560 CA TYR A 35 -7.809 16.473 -11.456 1.00 0.00 C ATOM 561 C TYR A 35 -6.882 17.636 -11.078 1.00 0.00 C ATOM 562 O TYR A 35 -7.315 18.593 -10.435 1.00 0.00 O ATOM 563 CB TYR A 35 -7.504 15.214 -10.636 1.00 0.00 C ATOM 564 CG TYR A 35 -7.670 15.395 -9.141 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.951 15.330 -8.563 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.544 15.628 -8.328 1.00 0.00 C ATOM 567 CE1 TYR A 35 -9.111 15.498 -7.176 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.696 15.802 -6.942 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.982 15.737 -6.358 1.00 0.00 C ATOM 570 OH TYR A 35 -8.117 15.897 -5.011 1.00 0.00 O ATOM 0 H TYR A 35 -7.313 15.233 -13.069 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.830 16.786 -11.237 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.159 14.409 -10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.481 14.898 -10.842 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.814 15.150 -9.187 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.560 15.673 -8.771 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.096 15.445 -6.735 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.830 15.985 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.236 16.051 -4.610 1.00 0.00 H new ATOM 580 N LEU A 36 -5.620 17.592 -11.517 1.00 0.00 N ATOM 581 CA LEU A 36 -4.644 18.646 -11.266 1.00 0.00 C ATOM 582 C LEU A 36 -5.090 19.933 -11.946 1.00 0.00 C ATOM 583 O LEU A 36 -5.103 20.976 -11.299 1.00 0.00 O ATOM 584 CB LEU A 36 -3.255 18.207 -11.768 1.00 0.00 C ATOM 585 CG LEU A 36 -2.346 17.580 -10.692 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.039 16.594 -9.743 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.187 16.856 -11.383 1.00 0.00 C ATOM 0 H LEU A 36 -5.248 16.814 -12.062 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.575 18.830 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.387 17.487 -12.576 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.747 19.073 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.013 18.411 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.314 16.210 -9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.842 17.104 -9.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.454 15.766 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.537 16.409 -10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.582 16.075 -12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.616 17.569 -11.978 1.00 0.00 H new ATOM 599 N ASP A 37 -5.511 19.869 -13.209 1.00 0.00 N ATOM 600 CA ASP A 37 -5.991 21.037 -13.941 1.00 0.00 C ATOM 601 C ASP A 37 -7.198 21.687 -13.256 1.00 0.00 C ATOM 602 O ASP A 37 -7.322 22.911 -13.266 1.00 0.00 O ATOM 603 CB ASP A 37 -6.344 20.648 -15.379 1.00 0.00 C ATOM 604 CG ASP A 37 -6.896 21.852 -16.159 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.099 22.729 -16.558 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.121 21.903 -16.411 1.00 0.00 O ATOM 0 H ASP A 37 -5.528 19.006 -13.752 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.187 21.772 -13.952 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.458 20.260 -15.882 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.083 19.846 -15.371 1.00 0.00 H new ATOM 611 N ASP A 38 -8.061 20.889 -12.618 1.00 0.00 N ATOM 612 CA ASP A 38 -9.219 21.391 -11.877 1.00 0.00 C ATOM 613 C ASP A 38 -8.837 21.957 -10.501 1.00 0.00 C ATOM 614 O ASP A 38 -9.565 22.787 -9.954 1.00 0.00 O ATOM 615 CB ASP A 38 -10.248 20.265 -11.704 1.00 0.00 C ATOM 616 CG ASP A 38 -11.500 20.747 -10.952 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.278 21.549 -11.518 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.747 20.287 -9.815 1.00 0.00 O ATOM 0 H ASP A 38 -7.974 19.873 -12.602 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.646 22.209 -12.457 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.537 19.883 -12.683 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.793 19.437 -11.160 1.00 0.00 H new ATOM 623 N THR A 39 -7.700 21.537 -9.939 1.00 0.00 N ATOM 624 CA THR A 39 -7.334 21.833 -8.554 1.00 0.00 C ATOM 625 C THR A 39 -6.359 23.012 -8.461 1.00 0.00 C ATOM 626 O THR A 39 -6.518 23.879 -7.601 1.00 0.00 O ATOM 627 CB THR A 39 -6.716 20.566 -7.932 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.658 19.514 -7.933 1.00 0.00 O ATOM 629 CG2 THR A 39 -6.227 20.796 -6.499 1.00 0.00 C ATOM 0 H THR A 39 -7.005 20.979 -10.436 1.00 0.00 H new ATOM 0 HA THR A 39 -8.230 22.124 -8.005 1.00 0.00 H new ATOM 0 HB THR A 39 -5.853 20.304 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.552 18.981 -8.748 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.801 19.872 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.467 21.577 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.065 21.102 -5.873 1.00 0.00 H new ATOM 637 N LEU A 40 -5.338 23.025 -9.317 1.00 0.00 N ATOM 638 CA LEU A 40 -4.209 23.939 -9.236 1.00 0.00 C ATOM 639 C LEU A 40 -4.676 25.372 -9.501 1.00 0.00 C ATOM 640 O LEU A 40 -5.221 25.665 -10.566 1.00 0.00 O ATOM 641 CB LEU A 40 -3.155 23.509 -10.270 1.00 0.00 C ATOM 642 CG LEU A 40 -2.436 22.182 -9.949 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.701 21.688 -11.198 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.425 22.294 -8.812 1.00 0.00 C ATOM 0 H LEU A 40 -5.276 22.381 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.771 23.907 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.637 23.418 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.408 24.299 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.210 21.484 -9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.192 20.751 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.418 21.528 -12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.968 22.433 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.959 21.323 -8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.659 23.023 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.934 22.616 -7.903 1.00 0.00 H new ATOM 656 N GLU A 41 -4.416 26.279 -8.561 1.00 0.00 N ATOM 657 CA GLU A 41 -4.761 27.698 -8.634 1.00 0.00 C ATOM 658 C GLU A 41 -3.706 28.468 -9.456 1.00 0.00 C ATOM 659 O GLU A 41 -3.190 29.498 -9.019 1.00 0.00 O ATOM 660 CB GLU A 41 -4.923 28.255 -7.202 1.00 0.00 C ATOM 661 CG GLU A 41 -6.143 27.698 -6.449 1.00 0.00 C ATOM 662 CD GLU A 41 -7.472 28.227 -7.021 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.917 29.327 -6.616 1.00 0.00 O ATOM 664 OE2 GLU A 41 -8.099 27.552 -7.868 1.00 0.00 O ATOM 0 H GLU A 41 -3.940 26.036 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.711 27.827 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.022 28.029 -6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.005 29.341 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.134 26.609 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.071 27.966 -5.395 1.00 0.00 H new ATOM 671 N PHE A 42 -3.315 27.940 -10.622 1.00 0.00 N ATOM 672 CA PHE A 42 -2.382 28.616 -11.524 1.00 0.00 C ATOM 673 C PHE A 42 -2.987 29.932 -12.060 1.00 0.00 C ATOM 674 O PHE A 42 -4.217 30.053 -12.105 1.00 0.00 O ATOM 675 CB PHE A 42 -1.957 27.662 -12.651 1.00 0.00 C ATOM 676 CG PHE A 42 -3.076 27.100 -13.510 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.673 27.888 -14.514 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.460 25.754 -13.365 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.669 27.341 -15.342 1.00 0.00 C ATOM 680 CE2 PHE A 42 -4.458 25.208 -14.191 1.00 0.00 C ATOM 681 CZ PHE A 42 -5.066 26.003 -15.177 1.00 0.00 C ATOM 0 H PHE A 42 -3.637 27.034 -10.964 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.484 28.891 -10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.258 28.189 -13.300 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.413 26.828 -12.207 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.365 28.914 -14.648 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.986 25.138 -12.616 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.130 27.950 -16.106 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.757 24.178 -14.068 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.838 25.586 -15.807 1.00 0.00 H new ATOM 691 N PRO A 43 -2.172 30.903 -12.523 1.00 0.00 N ATOM 692 CA PRO A 43 -0.712 30.942 -12.435 1.00 0.00 C ATOM 693 C PRO A 43 -0.253 31.084 -10.977 1.00 0.00 C ATOM 694 O PRO A 43 -0.939 31.716 -10.170 1.00 0.00 O ATOM 695 CB PRO A 43 -0.293 32.158 -13.270 1.00 0.00 C ATOM 696 CG PRO A 43 -1.488 33.101 -13.168 1.00 0.00 C ATOM 697 CD PRO A 43 -2.672 32.138 -13.115 1.00 0.00 C ATOM 0 HA PRO A 43 -0.257 30.023 -12.804 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.614 32.618 -12.878 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.089 31.882 -14.304 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.435 33.727 -12.277 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.549 33.771 -14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.484 32.554 -12.519 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.070 31.957 -14.113 1.00 0.00 H new ATOM 705 N PHE A 44 0.903 30.506 -10.636 1.00 0.00 N ATOM 706 CA PHE A 44 1.483 30.618 -9.296 1.00 0.00 C ATOM 707 C PHE A 44 3.003 30.529 -9.381 1.00 0.00 C ATOM 708 O PHE A 44 3.542 30.135 -10.409 1.00 0.00 O ATOM 709 CB PHE A 44 0.903 29.560 -8.341 1.00 0.00 C ATOM 710 CG PHE A 44 1.108 28.094 -8.697 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.371 27.491 -8.559 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.017 27.299 -9.091 1.00 0.00 C ATOM 713 CE1 PHE A 44 2.557 26.126 -8.828 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.203 25.939 -9.391 1.00 0.00 C ATOM 715 CZ PHE A 44 1.472 25.349 -9.262 1.00 0.00 C ATOM 0 H PHE A 44 1.462 29.948 -11.281 1.00 0.00 H new ATOM 0 HA PHE A 44 1.218 31.591 -8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.333 29.728 -7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.169 29.737 -8.256 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.212 28.089 -8.241 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.968 27.736 -9.163 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.531 25.676 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.635 25.343 -9.723 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.611 24.304 -9.495 1.00 0.00 H new ATOM 725 N MET A 45 3.715 30.879 -8.314 1.00 0.00 N ATOM 726 CA MET A 45 5.172 30.811 -8.279 1.00 0.00 C ATOM 727 C MET A 45 5.612 29.427 -7.798 1.00 0.00 C ATOM 728 O MET A 45 4.979 28.852 -6.913 1.00 0.00 O ATOM 729 CB MET A 45 5.648 31.905 -7.312 1.00 0.00 C ATOM 730 CG MET A 45 7.165 31.977 -7.166 1.00 0.00 C ATOM 731 SD MET A 45 7.693 33.160 -5.904 1.00 0.00 S ATOM 732 CE MET A 45 9.473 32.935 -6.093 1.00 0.00 C ATOM 0 H MET A 45 3.297 31.218 -7.448 1.00 0.00 H new ATOM 0 HA MET A 45 5.603 30.968 -9.268 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.279 32.870 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.205 31.729 -6.332 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.548 30.988 -6.914 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.605 32.254 -8.124 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.979 33.255 -5.182 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.689 31.883 -6.278 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.828 33.531 -6.934 1.00 0.00 H new ATOM 742 N GLY A 46 6.728 28.902 -8.301 1.00 0.00 N ATOM 743 CA GLY A 46 7.322 27.686 -7.785 1.00 0.00 C ATOM 744 C GLY A 46 8.821 27.676 -8.028 1.00 0.00 C ATOM 745 O GLY A 46 9.367 28.524 -8.737 1.00 0.00 O ATOM 0 H GLY A 46 7.241 29.315 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.121 27.602 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.865 26.820 -8.264 1.00 0.00 H new ATOM 749 N LYS A 47 9.498 26.713 -7.415 1.00 0.00 N ATOM 750 CA LYS A 47 10.895 26.427 -7.717 1.00 0.00 C ATOM 751 C LYS A 47 10.907 25.237 -8.669 1.00 0.00 C ATOM 752 O LYS A 47 10.332 24.193 -8.354 1.00 0.00 O ATOM 753 CB LYS A 47 11.679 26.114 -6.427 1.00 0.00 C ATOM 754 CG LYS A 47 13.201 26.225 -6.626 1.00 0.00 C ATOM 755 CD LYS A 47 13.723 27.673 -6.669 1.00 0.00 C ATOM 756 CE LYS A 47 13.633 28.375 -5.304 1.00 0.00 C ATOM 757 NZ LYS A 47 14.361 29.668 -5.294 1.00 0.00 N ATOM 0 H LYS A 47 9.096 26.110 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 47 11.379 27.289 -8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.367 26.800 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.432 25.108 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.703 25.693 -5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.473 25.724 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.760 27.672 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.151 28.240 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.586 28.547 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.043 27.722 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.954 30.290 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.365 29.499 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.274 30.123 -6.225 1.00 0.00 H new ATOM 771 N TRP A 48 11.537 25.387 -9.831 1.00 0.00 N ATOM 772 CA TRP A 48 11.817 24.279 -10.726 1.00 0.00 C ATOM 773 C TRP A 48 13.092 23.647 -10.177 1.00 0.00 C ATOM 774 O TRP A 48 14.184 24.198 -10.326 1.00 0.00 O ATOM 775 CB TRP A 48 11.972 24.778 -12.173 1.00 0.00 C ATOM 776 CG TRP A 48 12.110 23.731 -13.241 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.129 22.391 -13.056 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.220 23.918 -14.688 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.257 21.744 -14.263 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.317 22.636 -15.311 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.225 25.044 -15.540 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.416 22.483 -16.703 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.307 24.902 -16.940 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.405 23.625 -17.521 1.00 0.00 C ATOM 0 H TRP A 48 11.868 26.288 -10.176 1.00 0.00 H new ATOM 0 HA TRP A 48 11.009 23.548 -10.765 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.107 25.396 -12.413 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.848 25.425 -12.217 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.054 21.899 -12.097 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.302 20.730 -14.369 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.165 26.033 -15.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.500 21.499 -17.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.294 25.779 -17.570 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.472 23.523 -18.594 1.00 0.00 H new ATOM 795 N LYS A 49 12.949 22.523 -9.484 1.00 0.00 N ATOM 796 CA LYS A 49 14.019 21.736 -8.887 1.00 0.00 C ATOM 797 C LYS A 49 14.417 20.687 -9.930 1.00 0.00 C ATOM 798 O LYS A 49 14.158 19.491 -9.776 1.00 0.00 O ATOM 799 CB LYS A 49 13.493 21.118 -7.577 1.00 0.00 C ATOM 800 CG LYS A 49 13.122 22.183 -6.527 1.00 0.00 C ATOM 801 CD LYS A 49 12.535 21.562 -5.250 1.00 0.00 C ATOM 802 CE LYS A 49 13.562 20.818 -4.383 1.00 0.00 C ATOM 803 NZ LYS A 49 14.385 21.731 -3.550 1.00 0.00 N ATOM 0 H LYS A 49 12.030 22.114 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 49 14.899 22.324 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.617 20.506 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.251 20.453 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.009 22.763 -6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.400 22.877 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.076 22.350 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.741 20.869 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.040 20.114 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.218 20.232 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.126 21.185 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.827 22.451 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.780 22.197 -2.844 1.00 0.00 H new ATOM 817 N LYS A 50 14.937 21.169 -11.057 1.00 0.00 N ATOM 818 CA LYS A 50 15.230 20.349 -12.222 1.00 0.00 C ATOM 819 C LYS A 50 16.316 19.350 -11.841 1.00 0.00 C ATOM 820 O LYS A 50 17.330 19.752 -11.271 1.00 0.00 O ATOM 821 CB LYS A 50 15.657 21.240 -13.401 1.00 0.00 C ATOM 822 CG LYS A 50 15.589 20.460 -14.722 1.00 0.00 C ATOM 823 CD LYS A 50 16.001 21.322 -15.921 1.00 0.00 C ATOM 824 CE LYS A 50 15.927 20.477 -17.202 1.00 0.00 C ATOM 825 NZ LYS A 50 16.312 21.242 -18.414 1.00 0.00 N ATOM 0 H LYS A 50 15.168 22.154 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 50 14.344 19.801 -12.542 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.009 22.115 -13.456 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.672 21.604 -13.240 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.240 19.588 -14.662 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.575 20.091 -14.873 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.344 22.188 -16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.013 21.702 -15.780 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.582 19.612 -17.100 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.913 20.097 -17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.245 20.626 -19.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.672 22.054 -18.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.289 21.583 -18.313 1.00 0.00 H new ATOM 839 N LYS A 51 16.152 18.062 -12.147 1.00 0.00 N ATOM 840 CA LYS A 51 17.254 17.110 -12.003 1.00 0.00 C ATOM 841 C LYS A 51 18.445 17.604 -12.828 1.00 0.00 C ATOM 842 O LYS A 51 18.257 18.168 -13.910 1.00 0.00 O ATOM 843 CB LYS A 51 16.822 15.697 -12.412 1.00 0.00 C ATOM 844 CG LYS A 51 15.900 15.073 -11.350 1.00 0.00 C ATOM 845 CD LYS A 51 15.440 13.653 -11.709 1.00 0.00 C ATOM 846 CE LYS A 51 14.506 13.644 -12.928 1.00 0.00 C ATOM 847 NZ LYS A 51 14.020 12.278 -13.249 1.00 0.00 N ATOM 0 H LYS A 51 15.281 17.659 -12.491 1.00 0.00 H new ATOM 0 HA LYS A 51 17.551 17.050 -10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.305 15.734 -13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.702 15.069 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.423 15.048 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.025 15.709 -11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.311 13.030 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.927 13.211 -10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.654 14.296 -12.736 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.032 14.053 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.393 12.318 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.831 11.661 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.495 11.896 -12.436 1.00 0.00 H new ATOM 861 N SER A 52 19.657 17.414 -12.310 1.00 0.00 N ATOM 862 CA SER A 52 20.886 17.889 -12.929 1.00 0.00 C ATOM 863 C SER A 52 21.095 17.321 -14.340 1.00 0.00 C ATOM 864 O SER A 52 20.453 16.352 -14.757 1.00 0.00 O ATOM 865 CB SER A 52 22.066 17.541 -12.019 1.00 0.00 C ATOM 866 OG SER A 52 21.886 18.115 -10.744 1.00 0.00 O ATOM 0 H SER A 52 19.812 16.917 -11.433 1.00 0.00 H new ATOM 0 HA SER A 52 20.812 18.970 -13.047 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.157 16.459 -11.928 1.00 0.00 H new ATOM 0 HB3 SER A 52 22.994 17.903 -12.461 1.00 0.00 H new ATOM 0 HG SER A 52 22.475 17.671 -10.099 1.00 0.00 H new ATOM 872 N ARG A 53 22.043 17.927 -15.066 1.00 0.00 N ATOM 873 CA ARG A 53 22.348 17.637 -16.469 1.00 0.00 C ATOM 874 C ARG A 53 22.623 16.152 -16.738 1.00 0.00 C ATOM 875 O ARG A 53 22.314 15.678 -17.832 1.00 0.00 O ATOM 876 CB ARG A 53 23.529 18.536 -16.887 1.00 0.00 C ATOM 877 CG ARG A 53 23.972 18.426 -18.359 1.00 0.00 C ATOM 878 CD ARG A 53 22.878 18.745 -19.389 1.00 0.00 C ATOM 879 NE ARG A 53 22.416 20.143 -19.302 1.00 0.00 N ATOM 880 CZ ARG A 53 21.510 20.714 -20.108 1.00 0.00 C ATOM 881 NH1 ARG A 53 20.920 20.011 -21.073 1.00 0.00 N ATOM 882 NH2 ARG A 53 21.199 21.996 -19.944 1.00 0.00 N ATOM 0 H ARG A 53 22.639 18.658 -14.677 1.00 0.00 H new ATOM 0 HA ARG A 53 21.471 17.860 -17.077 1.00 0.00 H new ATOM 0 HB2 ARG A 53 23.260 19.573 -16.685 1.00 0.00 H new ATOM 0 HB3 ARG A 53 24.383 18.299 -16.252 1.00 0.00 H new ATOM 0 HG2 ARG A 53 24.812 19.101 -18.522 1.00 0.00 H new ATOM 0 HG3 ARG A 53 24.336 17.415 -18.539 1.00 0.00 H new ATOM 0 HD2 ARG A 53 23.259 18.553 -20.392 1.00 0.00 H new ATOM 0 HD3 ARG A 53 22.032 18.075 -19.236 1.00 0.00 H new ATOM 0 HE ARG A 53 22.820 20.724 -18.567 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.156 19.027 -21.205 1.00 0.00 H new ATOM 0 HH12 ARG A 53 20.232 20.456 -21.680 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.649 22.540 -19.208 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.510 22.436 -20.554 1.00 0.00 H new ATOM 896 N LYS A 54 23.180 15.412 -15.771 1.00 0.00 N ATOM 897 CA LYS A 54 23.403 13.969 -15.900 1.00 0.00 C ATOM 898 C LYS A 54 23.254 13.260 -14.556 1.00 0.00 C ATOM 899 O LYS A 54 22.651 12.187 -14.504 1.00 0.00 O ATOM 900 CB LYS A 54 24.800 13.730 -16.512 1.00 0.00 C ATOM 901 CG LYS A 54 25.113 12.261 -16.853 1.00 0.00 C ATOM 902 CD LYS A 54 24.127 11.586 -17.827 1.00 0.00 C ATOM 903 CE LYS A 54 23.931 12.328 -19.161 1.00 0.00 C ATOM 904 NZ LYS A 54 25.150 12.332 -20.011 1.00 0.00 N ATOM 0 H LYS A 54 23.488 15.798 -14.878 1.00 0.00 H new ATOM 0 HA LYS A 54 22.646 13.547 -16.561 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.890 14.326 -17.420 1.00 0.00 H new ATOM 0 HB3 LYS A 54 25.554 14.095 -15.815 1.00 0.00 H new ATOM 0 HG2 LYS A 54 26.114 12.210 -17.282 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.134 11.687 -15.927 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.479 10.576 -18.037 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.159 11.490 -17.335 1.00 0.00 H new ATOM 0 HE2 LYS A 54 23.113 11.863 -19.712 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.634 13.357 -18.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 24.956 12.846 -20.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 25.927 12.800 -19.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 25.422 11.353 -20.233 1.00 0.00 H new ATOM 918 N THR A 55 23.790 13.834 -13.480 1.00 0.00 N ATOM 919 CA THR A 55 23.704 13.278 -12.136 1.00 0.00 C ATOM 920 C THR A 55 22.256 13.306 -11.619 1.00 0.00 C ATOM 921 O THR A 55 21.415 14.066 -12.107 1.00 0.00 O ATOM 922 CB THR A 55 24.674 14.065 -11.231 1.00 0.00 C ATOM 923 OG1 THR A 55 24.605 15.453 -11.506 1.00 0.00 O ATOM 924 CG2 THR A 55 26.124 13.629 -11.472 1.00 0.00 C ATOM 0 H THR A 55 24.305 14.714 -13.521 1.00 0.00 H new ATOM 0 HA THR A 55 23.997 12.228 -12.137 1.00 0.00 H new ATOM 0 HB THR A 55 24.380 13.862 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.185 15.916 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 55 26.788 14.199 -10.822 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.226 12.566 -11.253 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.391 13.812 -12.513 1.00 0.00 H new ATOM 932 N SER A 56 21.970 12.499 -10.593 1.00 0.00 N ATOM 933 CA SER A 56 20.666 12.428 -9.931 1.00 0.00 C ATOM 934 C SER A 56 20.418 13.606 -8.966 1.00 0.00 C ATOM 935 O SER A 56 19.419 13.606 -8.242 1.00 0.00 O ATOM 936 CB SER A 56 20.573 11.088 -9.182 1.00 0.00 C ATOM 937 OG SER A 56 20.974 10.005 -10.012 1.00 0.00 O ATOM 0 H SER A 56 22.657 11.861 -10.190 1.00 0.00 H new ATOM 0 HA SER A 56 19.892 12.497 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.203 11.121 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.550 10.929 -8.842 1.00 0.00 H new ATOM 0 HG SER A 56 20.907 9.166 -9.510 1.00 0.00 H new ATOM 943 N THR A 57 21.331 14.579 -8.904 1.00 0.00 N ATOM 944 CA THR A 57 21.236 15.772 -8.075 1.00 0.00 C ATOM 945 C THR A 57 20.180 16.747 -8.640 1.00 0.00 C ATOM 946 O THR A 57 19.446 16.416 -9.577 1.00 0.00 O ATOM 947 CB THR A 57 22.657 16.364 -7.939 1.00 0.00 C ATOM 948 OG1 THR A 57 23.336 16.389 -9.187 1.00 0.00 O ATOM 949 CG2 THR A 57 23.508 15.514 -6.990 1.00 0.00 C ATOM 0 H THR A 57 22.189 14.551 -9.454 1.00 0.00 H new ATOM 0 HA THR A 57 20.879 15.541 -7.071 1.00 0.00 H new ATOM 0 HB THR A 57 22.532 17.377 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 57 24.230 16.770 -9.065 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.505 15.948 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.041 15.489 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.585 14.499 -7.380 1.00 0.00 H new ATOM 957 N ILE A 58 20.074 17.944 -8.055 1.00 0.00 N ATOM 958 CA ILE A 58 19.041 18.931 -8.347 1.00 0.00 C ATOM 959 C ILE A 58 19.749 20.262 -8.619 1.00 0.00 C ATOM 960 O ILE A 58 20.675 20.651 -7.901 1.00 0.00 O ATOM 961 CB ILE A 58 18.066 19.006 -7.144 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.311 17.678 -6.884 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.059 20.164 -7.260 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.268 17.284 -7.938 1.00 0.00 C ATOM 0 H ILE A 58 20.730 18.259 -7.341 1.00 0.00 H new ATOM 0 HA ILE A 58 18.447 18.668 -9.222 1.00 0.00 H new ATOM 0 HB ILE A 58 18.710 19.198 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.044 16.875 -6.808 1.00 0.00 H new ATOM 0 HG13 ILE A 58 16.813 17.749 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.404 20.165 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.597 21.111 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.462 20.038 -8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.803 16.340 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.505 18.060 -8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.754 17.172 -8.907 1.00 0.00 H new ATOM 976 N GLU A 59 19.265 20.961 -9.639 1.00 0.00 N ATOM 977 CA GLU A 59 19.582 22.331 -9.998 1.00 0.00 C ATOM 978 C GLU A 59 18.271 23.093 -9.768 1.00 0.00 C ATOM 979 O GLU A 59 17.188 22.518 -9.905 1.00 0.00 O ATOM 980 CB GLU A 59 20.002 22.401 -11.480 1.00 0.00 C ATOM 981 CG GLU A 59 21.373 21.774 -11.787 1.00 0.00 C ATOM 982 CD GLU A 59 22.537 22.642 -11.275 1.00 0.00 C ATOM 983 OE1 GLU A 59 22.994 23.544 -12.013 1.00 0.00 O ATOM 984 OE2 GLU A 59 23.025 22.428 -10.142 1.00 0.00 O ATOM 0 H GLU A 59 18.590 20.550 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 59 20.407 22.745 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 59 19.245 21.900 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.017 23.446 -11.791 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.430 20.786 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.473 21.633 -12.863 1.00 0.00 H new ATOM 991 N GLU A 60 18.331 24.371 -9.397 1.00 0.00 N ATOM 992 CA GLU A 60 17.145 25.100 -8.958 1.00 0.00 C ATOM 993 C GLU A 60 17.029 26.411 -9.726 1.00 0.00 C ATOM 994 O GLU A 60 17.995 27.175 -9.811 1.00 0.00 O ATOM 995 CB GLU A 60 17.183 25.329 -7.439 1.00 0.00 C ATOM 996 CG GLU A 60 17.115 24.003 -6.669 1.00 0.00 C ATOM 997 CD GLU A 60 16.957 24.207 -5.155 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.859 24.789 -4.509 1.00 0.00 O ATOM 999 OE2 GLU A 60 15.938 23.745 -4.594 1.00 0.00 O ATOM 0 H GLU A 60 19.189 24.922 -9.392 1.00 0.00 H new ATOM 0 HA GLU A 60 16.257 24.505 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.097 25.859 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.348 25.965 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.278 23.413 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.021 23.428 -6.862 1.00 0.00 H new ATOM 1006 N LYS A 61 15.833 26.681 -10.254 1.00 0.00 N ATOM 1007 CA LYS A 61 15.477 27.937 -10.905 1.00 0.00 C ATOM 1008 C LYS A 61 14.152 28.382 -10.311 1.00 0.00 C ATOM 1009 O LYS A 61 13.311 27.546 -9.976 1.00 0.00 O ATOM 1010 CB LYS A 61 15.337 27.744 -12.425 1.00 0.00 C ATOM 1011 CG LYS A 61 16.666 27.382 -13.106 1.00 0.00 C ATOM 1012 CD LYS A 61 16.543 27.288 -14.635 1.00 0.00 C ATOM 1013 CE LYS A 61 15.628 26.133 -15.076 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.541 26.021 -16.555 1.00 0.00 N ATOM 0 H LYS A 61 15.065 26.010 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 61 16.253 28.685 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.608 26.958 -12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.945 28.660 -12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.416 28.131 -12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.022 26.429 -12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.152 28.228 -15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.533 27.151 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.003 25.196 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.630 26.285 -14.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.599 25.669 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.695 26.956 -16.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.267 25.359 -16.896 1.00 0.00 H new ATOM 1028 N THR A 62 13.952 29.683 -10.185 1.00 0.00 N ATOM 1029 CA THR A 62 12.740 30.244 -9.606 1.00 0.00 C ATOM 1030 C THR A 62 11.836 30.628 -10.773 1.00 0.00 C ATOM 1031 O THR A 62 12.270 31.346 -11.676 1.00 0.00 O ATOM 1032 CB THR A 62 13.131 31.414 -8.695 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.149 31.000 -7.798 1.00 0.00 O ATOM 1034 CG2 THR A 62 11.958 31.864 -7.838 1.00 0.00 C ATOM 0 H THR A 62 14.629 30.385 -10.483 1.00 0.00 H new ATOM 0 HA THR A 62 12.191 29.546 -8.975 1.00 0.00 H new ATOM 0 HB THR A 62 13.462 32.228 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.399 31.749 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.268 32.694 -7.204 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.139 32.185 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.625 31.035 -7.213 1.00 0.00 H new ATOM 1042 N VAL A 63 10.595 30.140 -10.787 1.00 0.00 N ATOM 1043 CA VAL A 63 9.726 30.251 -11.950 1.00 0.00 C ATOM 1044 C VAL A 63 8.306 30.632 -11.542 1.00 0.00 C ATOM 1045 O VAL A 63 7.864 30.394 -10.419 1.00 0.00 O ATOM 1046 CB VAL A 63 9.744 28.942 -12.776 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.150 28.570 -13.275 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.175 27.725 -12.028 1.00 0.00 C ATOM 0 H VAL A 63 10.169 29.660 -9.994 1.00 0.00 H new ATOM 0 HA VAL A 63 10.109 31.051 -12.584 1.00 0.00 H new ATOM 0 HB VAL A 63 9.096 29.170 -13.622 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.100 27.644 -13.848 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.534 29.369 -13.910 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.815 28.434 -12.422 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.222 26.847 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.761 27.545 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.138 27.919 -11.754 1.00 0.00 H new ATOM 1058 N GLU A 64 7.584 31.223 -12.480 1.00 0.00 N ATOM 1059 CA GLU A 64 6.157 31.468 -12.394 1.00 0.00 C ATOM 1060 C GLU A 64 5.537 30.436 -13.329 1.00 0.00 C ATOM 1061 O GLU A 64 5.841 30.432 -14.522 1.00 0.00 O ATOM 1062 CB GLU A 64 5.840 32.917 -12.796 1.00 0.00 C ATOM 1063 CG GLU A 64 4.340 33.212 -12.662 1.00 0.00 C ATOM 1064 CD GLU A 64 4.035 34.705 -12.878 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.859 35.139 -14.039 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.950 35.461 -11.883 1.00 0.00 O ATOM 0 H GLU A 64 7.992 31.557 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 64 5.757 31.363 -11.386 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.406 33.604 -12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.157 33.090 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.785 32.618 -13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.996 32.909 -11.673 1.00 0.00 H new ATOM 1073 N VAL A 65 4.742 29.514 -12.794 1.00 0.00 N ATOM 1074 CA VAL A 65 3.951 28.601 -13.609 1.00 0.00 C ATOM 1075 C VAL A 65 2.797 29.396 -14.214 1.00 0.00 C ATOM 1076 O VAL A 65 2.216 30.254 -13.542 1.00 0.00 O ATOM 1077 CB VAL A 65 3.482 27.337 -12.844 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.525 26.824 -11.832 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.111 27.431 -12.163 1.00 0.00 C ATOM 0 H VAL A 65 4.629 29.380 -11.789 1.00 0.00 H new ATOM 0 HA VAL A 65 4.577 28.198 -14.405 1.00 0.00 H new ATOM 0 HB VAL A 65 3.368 26.614 -13.652 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.138 25.938 -11.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.446 26.571 -12.356 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.729 27.600 -11.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.889 26.490 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.123 28.239 -11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.345 27.631 -12.913 1.00 0.00 H new ATOM 1089 N LEU A 66 2.429 29.077 -15.455 1.00 0.00 N ATOM 1090 CA LEU A 66 1.330 29.731 -16.159 1.00 0.00 C ATOM 1091 C LEU A 66 0.092 28.835 -16.182 1.00 0.00 C ATOM 1092 O LEU A 66 -1.023 29.346 -16.290 1.00 0.00 O ATOM 1093 CB LEU A 66 1.730 30.118 -17.597 1.00 0.00 C ATOM 1094 CG LEU A 66 2.877 31.138 -17.769 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.798 32.313 -16.786 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.260 30.487 -17.669 1.00 0.00 C ATOM 0 H LEU A 66 2.890 28.351 -16.003 1.00 0.00 H new ATOM 0 HA LEU A 66 1.094 30.646 -15.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.009 29.206 -18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.847 30.518 -18.096 1.00 0.00 H new ATOM 0 HG LEU A 66 2.743 31.532 -18.777 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.633 32.991 -16.962 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.860 32.848 -16.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.845 31.936 -15.764 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.030 31.248 -17.797 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.372 30.018 -16.691 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.364 29.731 -18.448 1.00 0.00 H new ATOM 1108 N GLY A 67 0.266 27.516 -16.064 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.800 26.539 -16.120 1.00 0.00 C ATOM 1110 C GLY A 67 -0.214 25.172 -16.428 1.00 0.00 C ATOM 1111 O GLY A 67 0.992 25.032 -16.643 1.00 0.00 O ATOM 0 H GLY A 67 1.185 27.096 -15.923 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.334 26.512 -15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.524 26.818 -16.886 1.00 0.00 H new ATOM 1115 N MET A 68 -1.072 24.159 -16.441 1.00 0.00 N ATOM 1116 CA MET A 68 -0.713 22.831 -16.927 1.00 0.00 C ATOM 1117 C MET A 68 -0.329 22.920 -18.406 1.00 0.00 C ATOM 1118 O MET A 68 -0.861 23.751 -19.151 1.00 0.00 O ATOM 1119 CB MET A 68 -1.883 21.848 -16.744 1.00 0.00 C ATOM 1120 CG MET A 68 -2.177 21.506 -15.277 1.00 0.00 C ATOM 1121 SD MET A 68 -0.922 20.499 -14.432 1.00 0.00 S ATOM 1122 CE MET A 68 -1.190 18.891 -15.225 1.00 0.00 C ATOM 0 H MET A 68 -2.036 24.234 -16.115 1.00 0.00 H new ATOM 0 HA MET A 68 0.135 22.461 -16.350 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.779 22.275 -17.195 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.661 20.928 -17.285 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.301 22.437 -14.724 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.130 20.979 -15.231 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.582 18.135 -14.729 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.243 18.618 -15.148 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.907 18.952 -16.276 1.00 0.00 H new ATOM 1132 N ALA A 69 0.586 22.047 -18.829 1.00 0.00 N ATOM 1133 CA ALA A 69 0.900 21.848 -20.239 1.00 0.00 C ATOM 1134 C ALA A 69 -0.330 21.243 -20.948 1.00 0.00 C ATOM 1135 O ALA A 69 -1.269 20.814 -20.266 1.00 0.00 O ATOM 1136 CB ALA A 69 2.116 20.920 -20.332 1.00 0.00 C ATOM 0 H ALA A 69 1.130 21.458 -18.199 1.00 0.00 H new ATOM 0 HA ALA A 69 1.140 22.792 -20.729 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.370 20.757 -21.379 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.963 21.378 -19.821 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.882 19.965 -19.862 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.359 21.177 -22.292 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.385 20.430 -23.007 1.00 0.00 C ATOM 1144 C PRO A 70 -1.502 18.993 -22.491 1.00 0.00 C ATOM 1145 O PRO A 70 -0.502 18.363 -22.132 1.00 0.00 O ATOM 1146 CB PRO A 70 -0.978 20.464 -24.483 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.133 21.732 -24.587 1.00 0.00 C ATOM 1148 CD PRO A 70 0.567 21.791 -23.230 1.00 0.00 C ATOM 0 HA PRO A 70 -2.369 20.874 -22.857 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.409 19.578 -24.764 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.848 20.505 -25.139 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.582 21.674 -25.408 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.749 22.614 -24.762 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.516 21.255 -23.254 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.789 22.820 -22.947 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.718 18.448 -22.520 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.982 17.069 -22.110 1.00 0.00 C ATOM 1158 C ASP A 71 -2.167 16.078 -22.947 1.00 0.00 C ATOM 1159 O ASP A 71 -1.732 15.053 -22.428 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.481 16.741 -22.192 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.957 16.449 -23.627 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.159 17.415 -24.398 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.152 15.268 -23.989 1.00 0.00 O ATOM 0 H ASP A 71 -3.549 18.951 -22.829 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.671 16.972 -21.070 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.693 15.877 -21.562 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.053 17.577 -21.789 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.891 16.415 -24.213 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.121 15.577 -25.129 1.00 0.00 C ATOM 1170 C ASP A 72 0.335 15.404 -24.681 1.00 0.00 C ATOM 1171 O ASP A 72 0.960 14.385 -24.979 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.165 16.175 -26.539 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.426 15.281 -27.551 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.913 14.167 -27.848 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.614 15.709 -28.099 1.00 0.00 O ATOM 0 H ASP A 72 -2.203 17.291 -24.632 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.579 14.588 -25.128 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.202 16.300 -26.851 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.713 17.167 -26.530 1.00 0.00 H new ATOM 1180 N GLU A 73 0.877 16.372 -23.935 1.00 0.00 N ATOM 1181 CA GLU A 73 2.213 16.273 -23.353 1.00 0.00 C ATOM 1182 C GLU A 73 2.182 15.419 -22.080 1.00 0.00 C ATOM 1183 O GLU A 73 3.181 14.790 -21.732 1.00 0.00 O ATOM 1184 CB GLU A 73 2.751 17.672 -22.993 1.00 0.00 C ATOM 1185 CG GLU A 73 2.919 18.621 -24.189 1.00 0.00 C ATOM 1186 CD GLU A 73 3.921 18.100 -25.236 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.111 17.894 -24.905 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.541 17.924 -26.415 1.00 0.00 O ATOM 0 H GLU A 73 0.398 17.246 -23.719 1.00 0.00 H new ATOM 0 HA GLU A 73 2.864 15.808 -24.093 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.074 18.133 -22.273 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.715 17.559 -22.497 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.950 18.771 -24.665 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.252 19.595 -23.829 1.00 0.00 H new ATOM 1195 N CYS A 74 1.034 15.357 -21.398 1.00 0.00 N ATOM 1196 CA CYS A 74 0.907 14.782 -20.067 1.00 0.00 C ATOM 1197 C CYS A 74 0.451 13.318 -20.082 1.00 0.00 C ATOM 1198 O CYS A 74 -0.214 12.858 -19.152 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.011 15.669 -19.219 1.00 0.00 C ATOM 1200 SG CYS A 74 0.644 17.363 -19.141 1.00 0.00 S ATOM 0 H CYS A 74 0.153 15.714 -21.768 1.00 0.00 H new ATOM 0 HA CYS A 74 1.898 14.759 -19.613 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.014 15.679 -19.646 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.097 15.258 -18.213 1.00 0.00 H new ATOM 0 HG CYS A 74 0.311 18.007 -20.220 1.00 0.00 H new ATOM 1206 N LEU A 75 0.770 12.577 -21.148 1.00 0.00 N ATOM 1207 CA LEU A 75 0.336 11.192 -21.319 1.00 0.00 C ATOM 1208 C LEU A 75 1.117 10.213 -20.437 1.00 0.00 C ATOM 1209 O LEU A 75 0.657 9.089 -20.234 1.00 0.00 O ATOM 1210 CB LEU A 75 0.466 10.772 -22.799 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.870 10.581 -23.536 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.759 9.508 -22.892 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.645 11.894 -23.677 1.00 0.00 C ATOM 0 H LEU A 75 1.340 12.926 -21.919 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.708 11.149 -21.008 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.051 11.526 -23.326 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.029 9.840 -22.849 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.602 10.232 -24.533 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.688 9.418 -23.456 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.237 8.551 -22.898 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.985 9.791 -21.864 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.581 11.709 -24.204 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.859 12.298 -22.688 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.047 12.611 -24.240 1.00 0.00 H new ATOM 1225 N LYS A 76 2.300 10.608 -19.947 1.00 0.00 N ATOM 1226 CA LYS A 76 3.234 9.705 -19.260 1.00 0.00 C ATOM 1227 C LYS A 76 3.738 10.251 -17.923 1.00 0.00 C ATOM 1228 O LYS A 76 4.279 9.490 -17.122 1.00 0.00 O ATOM 1229 CB LYS A 76 4.425 9.375 -20.180 1.00 0.00 C ATOM 1230 CG LYS A 76 4.012 8.641 -21.467 1.00 0.00 C ATOM 1231 CD LYS A 76 5.242 8.250 -22.298 1.00 0.00 C ATOM 1232 CE LYS A 76 4.804 7.529 -23.581 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.959 7.127 -24.422 1.00 0.00 N ATOM 0 H LYS A 76 2.638 11.568 -20.016 1.00 0.00 H new ATOM 0 HA LYS A 76 2.675 8.798 -19.032 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.938 10.300 -20.445 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.139 8.760 -19.632 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.442 7.748 -21.213 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.357 9.280 -22.059 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.818 9.140 -22.550 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.895 7.603 -21.713 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.223 6.645 -23.318 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.148 8.182 -24.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.615 6.644 -25.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.500 7.972 -24.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.573 6.483 -23.884 1.00 0.00 H new ATOM 1247 N ASP A 77 3.575 11.548 -17.683 1.00 0.00 N ATOM 1248 CA ASP A 77 4.090 12.314 -16.548 1.00 0.00 C ATOM 1249 C ASP A 77 3.330 13.643 -16.594 1.00 0.00 C ATOM 1250 O ASP A 77 2.749 13.967 -17.633 1.00 0.00 O ATOM 1251 CB ASP A 77 5.606 12.505 -16.726 1.00 0.00 C ATOM 1252 CG ASP A 77 6.296 13.425 -15.710 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.820 13.589 -14.564 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.388 13.921 -16.059 1.00 0.00 O ATOM 0 H ASP A 77 3.041 12.136 -18.322 1.00 0.00 H new ATOM 0 HA ASP A 77 3.947 11.825 -15.585 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.083 11.526 -16.681 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.787 12.901 -17.725 1.00 0.00 H new ATOM 1259 N MET A 78 3.262 14.393 -15.499 1.00 0.00 N ATOM 1260 CA MET A 78 2.525 15.656 -15.449 1.00 0.00 C ATOM 1261 C MET A 78 3.481 16.796 -15.792 1.00 0.00 C ATOM 1262 O MET A 78 4.640 16.763 -15.377 1.00 0.00 O ATOM 1263 CB MET A 78 1.926 15.855 -14.049 1.00 0.00 C ATOM 1264 CG MET A 78 0.809 14.857 -13.727 1.00 0.00 C ATOM 1265 SD MET A 78 -0.663 14.970 -14.781 1.00 0.00 S ATOM 1266 CE MET A 78 -0.397 13.535 -15.859 1.00 0.00 C ATOM 0 H MET A 78 3.715 14.145 -14.620 1.00 0.00 H new ATOM 0 HA MET A 78 1.708 15.642 -16.170 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.717 15.759 -13.305 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.534 16.869 -13.969 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.213 13.848 -13.804 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.505 15.000 -12.690 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.282 13.374 -16.475 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.465 13.717 -16.501 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.214 12.651 -15.249 1.00 0.00 H new ATOM 1276 N TYR A 79 3.006 17.833 -16.490 1.00 0.00 N ATOM 1277 CA TYR A 79 3.836 18.958 -16.921 1.00 0.00 C ATOM 1278 C TYR A 79 3.070 20.275 -16.797 1.00 0.00 C ATOM 1279 O TYR A 79 1.838 20.303 -16.841 1.00 0.00 O ATOM 1280 CB TYR A 79 4.301 18.767 -18.377 1.00 0.00 C ATOM 1281 CG TYR A 79 5.161 17.551 -18.671 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.546 16.318 -18.950 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.564 17.659 -18.736 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.319 15.189 -19.262 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.347 16.533 -19.053 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.728 15.285 -19.303 1.00 0.00 C ATOM 1287 OH TYR A 79 7.491 14.190 -19.589 1.00 0.00 O ATOM 0 H TYR A 79 2.029 17.914 -16.772 1.00 0.00 H new ATOM 0 HA TYR A 79 4.710 18.994 -16.271 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.416 18.718 -19.012 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.858 19.656 -18.674 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.469 16.239 -18.924 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.040 18.609 -18.542 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.836 14.246 -19.471 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.422 16.622 -19.106 1.00 0.00 H new ATOM 0 HH TYR A 79 8.389 14.478 -19.857 1.00 0.00 H new ATOM 1297 N VAL A 80 3.820 21.370 -16.691 1.00 0.00 N ATOM 1298 CA VAL A 80 3.329 22.723 -16.479 1.00 0.00 C ATOM 1299 C VAL A 80 4.155 23.661 -17.352 1.00 0.00 C ATOM 1300 O VAL A 80 5.356 23.455 -17.533 1.00 0.00 O ATOM 1301 CB VAL A 80 3.415 23.122 -14.984 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.205 22.595 -14.204 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.700 22.650 -14.279 1.00 0.00 C ATOM 0 H VAL A 80 4.837 21.332 -16.754 1.00 0.00 H new ATOM 0 HA VAL A 80 2.277 22.787 -16.756 1.00 0.00 H new ATOM 0 HB VAL A 80 3.427 24.212 -14.986 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.290 22.889 -13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.291 23.013 -14.625 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.173 21.508 -14.274 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.682 22.970 -13.237 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.761 21.563 -14.324 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.568 23.083 -14.776 1.00 0.00 H new ATOM 1313 N GLU A 81 3.508 24.679 -17.907 1.00 0.00 N ATOM 1314 CA GLU A 81 4.195 25.771 -18.583 1.00 0.00 C ATOM 1315 C GLU A 81 4.746 26.691 -17.495 1.00 0.00 C ATOM 1316 O GLU A 81 4.032 26.990 -16.533 1.00 0.00 O ATOM 1317 CB GLU A 81 3.230 26.538 -19.499 1.00 0.00 C ATOM 1318 CG GLU A 81 2.741 25.680 -20.673 1.00 0.00 C ATOM 1319 CD GLU A 81 1.918 26.512 -21.673 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.716 26.760 -21.428 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.462 26.914 -22.727 1.00 0.00 O ATOM 0 H GLU A 81 2.492 24.770 -17.901 1.00 0.00 H new ATOM 0 HA GLU A 81 4.998 25.389 -19.213 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.373 26.878 -18.918 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.727 27.428 -19.884 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.597 25.237 -21.183 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.134 24.857 -20.296 1.00 0.00 H new ATOM 1328 N VAL A 82 5.990 27.150 -17.635 1.00 0.00 N ATOM 1329 CA VAL A 82 6.664 27.966 -16.626 1.00 0.00 C ATOM 1330 C VAL A 82 7.494 29.057 -17.307 1.00 0.00 C ATOM 1331 O VAL A 82 7.973 28.856 -18.420 1.00 0.00 O ATOM 1332 CB VAL A 82 7.515 27.086 -15.675 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.720 25.948 -15.016 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.755 26.463 -16.335 1.00 0.00 C ATOM 0 H VAL A 82 6.562 26.964 -18.459 1.00 0.00 H new ATOM 0 HA VAL A 82 5.914 28.457 -16.006 1.00 0.00 H new ATOM 0 HB VAL A 82 7.835 27.800 -14.916 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.379 25.374 -14.364 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.904 26.367 -14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.313 25.294 -15.787 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.295 25.863 -15.602 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.445 25.829 -17.166 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.406 27.255 -16.706 1.00 0.00 H new ATOM 1344 N ALA A 83 7.714 30.190 -16.642 1.00 0.00 N ATOM 1345 CA ALA A 83 8.566 31.277 -17.114 1.00 0.00 C ATOM 1346 C ALA A 83 9.553 31.617 -16.001 1.00 0.00 C ATOM 1347 O ALA A 83 9.198 31.588 -14.822 1.00 0.00 O ATOM 1348 CB ALA A 83 7.718 32.497 -17.484 1.00 0.00 C ATOM 0 H ALA A 83 7.291 30.381 -15.734 1.00 0.00 H new ATOM 0 HA ALA A 83 9.108 30.973 -18.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.368 33.299 -17.834 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.017 32.227 -18.274 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.165 32.835 -16.608 1.00 0.00 H new ATOM 1354 N ASP A 84 10.797 31.909 -16.371 1.00 0.00 N ATOM 1355 CA ASP A 84 11.871 32.162 -15.411 1.00 0.00 C ATOM 1356 C ASP A 84 11.698 33.530 -14.752 1.00 0.00 C ATOM 1357 O ASP A 84 11.629 34.544 -15.445 1.00 0.00 O ATOM 1358 CB ASP A 84 13.230 32.104 -16.115 1.00 0.00 C ATOM 1359 CG ASP A 84 14.356 32.527 -15.166 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.436 31.990 -14.041 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.135 33.427 -15.542 1.00 0.00 O ATOM 0 H ASP A 84 11.091 31.977 -17.345 1.00 0.00 H new ATOM 0 HA ASP A 84 11.826 31.392 -14.641 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.414 31.092 -16.476 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.220 32.757 -16.988 1.00 0.00 H new ATOM 1366 N ILE A 85 11.657 33.569 -13.420 1.00 0.00 N ATOM 1367 CA ILE A 85 11.603 34.814 -12.655 1.00 0.00 C ATOM 1368 C ILE A 85 13.029 35.384 -12.508 1.00 0.00 C ATOM 1369 O ILE A 85 13.184 36.594 -12.338 1.00 0.00 O ATOM 1370 CB ILE A 85 10.895 34.572 -11.294 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.456 34.036 -11.498 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.802 35.851 -10.444 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.740 33.647 -10.196 1.00 0.00 C ATOM 0 H ILE A 85 11.660 32.731 -12.838 1.00 0.00 H new ATOM 0 HA ILE A 85 11.010 35.562 -13.181 1.00 0.00 H new ATOM 0 HB ILE A 85 11.507 33.837 -10.772 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.866 34.796 -12.011 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.494 33.166 -12.153 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.299 35.627 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.805 36.225 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.236 36.608 -10.987 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.739 33.282 -10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.305 32.864 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.667 34.519 -9.546 1.00 0.00 H new ATOM 1385 N GLY A 86 14.071 34.544 -12.595 1.00 0.00 N ATOM 1386 CA GLY A 86 15.462 34.938 -12.393 1.00 0.00 C ATOM 1387 C GLY A 86 15.892 36.077 -13.320 1.00 0.00 C ATOM 1388 O GLY A 86 16.538 37.026 -12.867 1.00 0.00 O ATOM 0 H GLY A 86 13.962 33.553 -12.812 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.602 35.246 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.108 34.076 -12.559 1.00 0.00 H new ATOM 1392 N GLY A 87 15.496 36.023 -14.594 1.00 0.00 N ATOM 1393 CA GLY A 87 15.739 37.089 -15.555 1.00 0.00 C ATOM 1394 C GLY A 87 15.155 36.826 -16.941 1.00 0.00 C ATOM 1395 O GLY A 87 14.770 37.776 -17.624 1.00 0.00 O ATOM 0 H GLY A 87 14.993 35.227 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.319 38.017 -15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.814 37.241 -15.649 1.00 0.00 H new ATOM 1399 N LYS A 88 15.039 35.565 -17.366 1.00 0.00 N ATOM 1400 CA LYS A 88 14.600 35.190 -18.714 1.00 0.00 C ATOM 1401 C LYS A 88 13.068 35.150 -18.804 1.00 0.00 C ATOM 1402 O LYS A 88 12.501 34.281 -19.465 1.00 0.00 O ATOM 1403 CB LYS A 88 15.270 33.867 -19.134 1.00 0.00 C ATOM 1404 CG LYS A 88 16.805 33.961 -19.152 1.00 0.00 C ATOM 1405 CD LYS A 88 17.432 32.637 -19.605 1.00 0.00 C ATOM 1406 CE LYS A 88 18.961 32.761 -19.632 1.00 0.00 C ATOM 1407 NZ LYS A 88 19.621 31.506 -20.071 1.00 0.00 N ATOM 0 H LYS A 88 15.251 34.762 -16.774 1.00 0.00 H new ATOM 0 HA LYS A 88 14.919 35.951 -19.426 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.966 33.076 -18.448 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.915 33.583 -20.125 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.116 34.763 -19.822 1.00 0.00 H new ATOM 0 HG3 LYS A 88 17.169 34.218 -18.157 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.136 31.835 -18.929 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.063 32.371 -20.596 1.00 0.00 H new ATOM 0 HE2 LYS A 88 19.246 33.572 -20.302 1.00 0.00 H new ATOM 0 HE3 LYS A 88 19.319 33.029 -18.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.653 31.639 -20.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.372 30.736 -19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 19.301 31.263 -21.030 1.00 0.00 H new ATOM 1421 N ASP A 89 12.392 36.090 -18.139 1.00 0.00 N ATOM 1422 CA ASP A 89 10.932 36.234 -18.132 1.00 0.00 C ATOM 1423 C ASP A 89 10.376 36.503 -19.537 1.00 0.00 C ATOM 1424 O ASP A 89 9.206 36.242 -19.813 1.00 0.00 O ATOM 1425 CB ASP A 89 10.549 37.382 -17.191 1.00 0.00 C ATOM 1426 CG ASP A 89 9.031 37.633 -17.174 1.00 0.00 C ATOM 1427 OD1 ASP A 89 8.280 36.805 -16.613 1.00 0.00 O ATOM 1428 OD2 ASP A 89 8.587 38.691 -17.677 1.00 0.00 O ATOM 0 H ASP A 89 12.861 36.796 -17.571 1.00 0.00 H new ATOM 0 HA ASP A 89 10.497 35.297 -17.784 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.889 37.152 -16.181 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.063 38.292 -17.501 1.00 0.00 H new ATOM 1433 N ASP A 90 11.229 37.002 -20.439 1.00 0.00 N ATOM 1434 CA ASP A 90 10.929 37.241 -21.850 1.00 0.00 C ATOM 1435 C ASP A 90 10.613 35.950 -22.627 1.00 0.00 C ATOM 1436 O ASP A 90 10.116 36.019 -23.752 1.00 0.00 O ATOM 1437 CB ASP A 90 12.122 37.968 -22.487 1.00 0.00 C ATOM 1438 CG ASP A 90 11.865 38.354 -23.955 1.00 0.00 C ATOM 1439 OD1 ASP A 90 10.980 39.199 -24.219 1.00 0.00 O ATOM 1440 OD2 ASP A 90 12.591 37.864 -24.850 1.00 0.00 O ATOM 0 H ASP A 90 12.185 37.260 -20.193 1.00 0.00 H new ATOM 0 HA ASP A 90 10.029 37.853 -21.903 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.344 38.867 -21.912 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.003 37.329 -22.432 1.00 0.00 H new ATOM 1445 N ASP A 91 10.865 34.770 -22.047 1.00 0.00 N ATOM 1446 CA ASP A 91 10.649 33.470 -22.679 1.00 0.00 C ATOM 1447 C ASP A 91 9.969 32.510 -21.694 1.00 0.00 C ATOM 1448 O ASP A 91 9.915 32.766 -20.487 1.00 0.00 O ATOM 1449 CB ASP A 91 11.991 32.916 -23.190 1.00 0.00 C ATOM 1450 CG ASP A 91 11.837 31.680 -24.097 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.772 31.508 -24.733 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.808 30.901 -24.221 1.00 0.00 O ATOM 0 H ASP A 91 11.235 34.695 -21.099 1.00 0.00 H new ATOM 0 HA ASP A 91 9.984 33.581 -23.535 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.513 33.699 -23.741 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.617 32.655 -22.336 1.00 0.00 H new ATOM 1457 N VAL A 92 9.419 31.414 -22.213 1.00 0.00 N ATOM 1458 CA VAL A 92 8.570 30.475 -21.490 1.00 0.00 C ATOM 1459 C VAL A 92 9.017 29.058 -21.876 1.00 0.00 C ATOM 1460 O VAL A 92 9.548 28.826 -22.967 1.00 0.00 O ATOM 1461 CB VAL A 92 7.075 30.735 -21.806 1.00 0.00 C ATOM 1462 CG1 VAL A 92 6.131 30.012 -20.833 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.690 32.228 -21.779 1.00 0.00 C ATOM 0 H VAL A 92 9.559 31.147 -23.187 1.00 0.00 H new ATOM 0 HA VAL A 92 8.673 30.601 -20.412 1.00 0.00 H new ATOM 0 HB VAL A 92 6.956 30.345 -22.817 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.097 30.229 -21.101 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.303 28.937 -20.890 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.323 30.356 -19.817 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.630 32.335 -22.009 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.889 32.637 -20.789 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.278 32.769 -22.520 1.00 0.00 H new ATOM 1473 N TYR A 93 8.791 28.118 -20.966 1.00 0.00 N ATOM 1474 CA TYR A 93 9.299 26.758 -20.988 1.00 0.00 C ATOM 1475 C TYR A 93 8.194 25.806 -20.521 1.00 0.00 C ATOM 1476 O TYR A 93 7.103 26.233 -20.135 1.00 0.00 O ATOM 1477 CB TYR A 93 10.520 26.669 -20.046 1.00 0.00 C ATOM 1478 CG TYR A 93 11.555 27.771 -20.215 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.598 27.627 -21.149 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.452 28.954 -19.455 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.533 28.662 -21.329 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.372 30.001 -19.643 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.419 29.857 -20.583 1.00 0.00 C ATOM 1484 OH TYR A 93 14.321 30.859 -20.772 1.00 0.00 O ATOM 0 H TYR A 93 8.213 28.299 -20.145 1.00 0.00 H new ATOM 0 HA TYR A 93 9.604 26.479 -21.997 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.165 26.682 -19.016 1.00 0.00 H new ATOM 0 HB3 TYR A 93 11.009 25.707 -20.202 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.681 26.720 -21.729 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.663 29.057 -18.725 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.339 28.544 -22.038 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.279 30.912 -19.071 1.00 0.00 H new ATOM 0 HH TYR A 93 13.893 31.722 -20.595 1.00 0.00 H new ATOM 1494 N THR A 94 8.514 24.516 -20.491 1.00 0.00 N ATOM 1495 CA THR A 94 7.679 23.479 -19.903 1.00 0.00 C ATOM 1496 C THR A 94 8.565 22.704 -18.930 1.00 0.00 C ATOM 1497 O THR A 94 9.709 22.373 -19.256 1.00 0.00 O ATOM 1498 CB THR A 94 7.068 22.591 -21.005 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.509 23.377 -22.044 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.959 21.689 -20.458 1.00 0.00 C ATOM 0 H THR A 94 9.383 24.156 -20.885 1.00 0.00 H new ATOM 0 HA THR A 94 6.829 23.895 -19.362 1.00 0.00 H new ATOM 0 HB THR A 94 7.885 21.979 -21.389 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.130 22.790 -22.731 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.554 21.079 -21.266 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.367 21.040 -19.683 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.165 22.304 -20.035 1.00 0.00 H new ATOM 1508 N ALA A 95 8.032 22.429 -17.742 1.00 0.00 N ATOM 1509 CA ALA A 95 8.691 21.688 -16.683 1.00 0.00 C ATOM 1510 C ALA A 95 7.780 20.526 -16.313 1.00 0.00 C ATOM 1511 O ALA A 95 6.555 20.657 -16.359 1.00 0.00 O ATOM 1512 CB ALA A 95 8.913 22.610 -15.478 1.00 0.00 C ATOM 0 H ALA A 95 7.092 22.731 -17.486 1.00 0.00 H new ATOM 0 HA ALA A 95 9.664 21.315 -17.003 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.408 22.055 -14.681 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.537 23.453 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.952 22.979 -15.120 1.00 0.00 H new ATOM 1518 N LYS A 96 8.359 19.384 -15.943 1.00 0.00 N ATOM 1519 CA LYS A 96 7.571 18.308 -15.367 1.00 0.00 C ATOM 1520 C LYS A 96 7.179 18.742 -13.966 1.00 0.00 C ATOM 1521 O LYS A 96 8.010 19.260 -13.220 1.00 0.00 O ATOM 1522 CB LYS A 96 8.283 16.955 -15.436 1.00 0.00 C ATOM 1523 CG LYS A 96 9.715 16.900 -14.890 1.00 0.00 C ATOM 1524 CD LYS A 96 10.377 15.551 -15.199 1.00 0.00 C ATOM 1525 CE LYS A 96 10.606 15.329 -16.707 1.00 0.00 C ATOM 1526 NZ LYS A 96 9.840 14.172 -17.233 1.00 0.00 N ATOM 0 H LYS A 96 9.356 19.186 -16.032 1.00 0.00 H new ATOM 0 HA LYS A 96 6.665 18.136 -15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.683 16.227 -14.890 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.304 16.634 -16.478 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.305 17.706 -15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.702 17.063 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.333 15.493 -14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.753 14.747 -14.809 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.319 16.229 -17.251 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.669 15.171 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.485 14.394 -18.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.460 13.338 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.038 13.971 -16.603 1.00 0.00 H new ATOM 1540 N LEU A 97 5.927 18.498 -13.586 1.00 0.00 N ATOM 1541 CA LEU A 97 5.454 18.736 -12.226 1.00 0.00 C ATOM 1542 C LEU A 97 6.259 17.885 -11.236 1.00 0.00 C ATOM 1543 O LEU A 97 6.453 18.276 -10.089 1.00 0.00 O ATOM 1544 CB LEU A 97 3.950 18.429 -12.127 1.00 0.00 C ATOM 1545 CG LEU A 97 3.275 19.044 -10.883 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.246 20.577 -10.967 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.837 18.530 -10.782 1.00 0.00 C ATOM 0 H LEU A 97 5.212 18.130 -14.213 1.00 0.00 H new ATOM 0 HA LEU A 97 5.601 19.786 -11.972 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.452 18.802 -13.022 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.809 17.348 -12.110 1.00 0.00 H new ATOM 0 HG LEU A 97 3.851 18.752 -10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.765 20.981 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.265 20.957 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.687 20.882 -11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.357 18.962 -9.904 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.284 18.817 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.844 17.444 -10.693 1.00 0.00 H new ATOM 1559 N SER A 98 6.788 16.756 -11.716 1.00 0.00 N ATOM 1560 CA SER A 98 7.704 15.874 -11.007 1.00 0.00 C ATOM 1561 C SER A 98 9.017 16.562 -10.579 1.00 0.00 C ATOM 1562 O SER A 98 9.714 16.036 -9.711 1.00 0.00 O ATOM 1563 CB SER A 98 7.954 14.670 -11.924 1.00 0.00 C ATOM 1564 OG SER A 98 6.717 14.012 -12.130 1.00 0.00 O ATOM 0 H SER A 98 6.575 16.421 -12.656 1.00 0.00 H new ATOM 0 HA SER A 98 7.255 15.562 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.375 14.996 -12.875 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.676 13.990 -11.472 1.00 0.00 H new ATOM 0 HG SER A 98 6.656 13.714 -13.062 1.00 0.00 H new ATOM 1570 N ASP A 99 9.328 17.747 -11.122 1.00 0.00 N ATOM 1571 CA ASP A 99 10.544 18.516 -10.837 1.00 0.00 C ATOM 1572 C ASP A 99 10.161 19.921 -10.340 1.00 0.00 C ATOM 1573 O ASP A 99 11.009 20.804 -10.291 1.00 0.00 O ATOM 1574 CB ASP A 99 11.460 18.592 -12.084 1.00 0.00 C ATOM 1575 CG ASP A 99 12.356 17.362 -12.336 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.972 16.219 -12.007 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.451 17.550 -12.915 1.00 0.00 O ATOM 0 H ASP A 99 8.718 18.211 -11.795 1.00 0.00 H new ATOM 0 HA ASP A 99 11.108 18.009 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.834 18.747 -12.962 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.099 19.470 -11.989 1.00 0.00 H new ATOM 1582 N ILE A 100 8.906 20.172 -9.961 1.00 0.00 N ATOM 1583 CA ILE A 100 8.442 21.470 -9.469 1.00 0.00 C ATOM 1584 C ILE A 100 8.008 21.310 -8.019 1.00 0.00 C ATOM 1585 O ILE A 100 7.504 20.267 -7.599 1.00 0.00 O ATOM 1586 CB ILE A 100 7.323 22.019 -10.396 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.955 22.736 -11.608 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.254 22.910 -9.725 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.246 24.233 -11.443 1.00 0.00 C ATOM 0 H ILE A 100 8.171 19.466 -9.988 1.00 0.00 H new ATOM 0 HA ILE A 100 9.241 22.211 -9.492 1.00 0.00 H new ATOM 0 HB ILE A 100 6.763 21.139 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.890 22.232 -11.853 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.291 22.610 -12.463 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.528 23.232 -10.472 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.745 22.343 -8.945 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.733 23.784 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.688 24.621 -12.361 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.317 24.764 -11.235 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.940 24.380 -10.616 1.00 0.00 H new ATOM 1601 N GLU A 101 8.181 22.394 -7.274 1.00 0.00 N ATOM 1602 CA GLU A 101 7.650 22.564 -5.934 1.00 0.00 C ATOM 1603 C GLU A 101 7.020 23.955 -5.901 1.00 0.00 C ATOM 1604 O GLU A 101 7.601 24.914 -6.412 1.00 0.00 O ATOM 1605 CB GLU A 101 8.760 22.374 -4.890 1.00 0.00 C ATOM 1606 CG GLU A 101 8.276 22.603 -3.447 1.00 0.00 C ATOM 1607 CD GLU A 101 7.115 21.675 -3.033 1.00 0.00 C ATOM 1608 OE1 GLU A 101 5.950 21.960 -3.397 1.00 0.00 O ATOM 1609 OE2 GLU A 101 7.368 20.674 -2.324 1.00 0.00 O ATOM 0 H GLU A 101 8.712 23.202 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 101 6.896 21.817 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.163 21.365 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.577 23.063 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.112 22.453 -2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.958 23.640 -3.339 1.00 0.00 H new ATOM 1616 N ALA A 102 5.808 24.058 -5.367 1.00 0.00 N ATOM 1617 CA ALA A 102 5.038 25.290 -5.390 1.00 0.00 C ATOM 1618 C ALA A 102 5.458 26.201 -4.233 1.00 0.00 C ATOM 1619 O ALA A 102 5.870 25.731 -3.170 1.00 0.00 O ATOM 1620 CB ALA A 102 3.550 24.949 -5.311 1.00 0.00 C ATOM 0 H ALA A 102 5.332 23.283 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 102 5.229 25.827 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.965 25.868 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.273 24.327 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.349 24.408 -4.386 1.00 0.00 H new ATOM 1626 N ILE A 103 5.307 27.510 -4.433 1.00 0.00 N ATOM 1627 CA ILE A 103 5.620 28.545 -3.451 1.00 0.00 C ATOM 1628 C ILE A 103 4.364 29.410 -3.268 1.00 0.00 C ATOM 1629 O ILE A 103 3.767 29.869 -4.241 1.00 0.00 O ATOM 1630 CB ILE A 103 6.851 29.359 -3.926 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.115 28.470 -4.036 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.139 30.545 -2.987 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.292 29.152 -4.745 1.00 0.00 C ATOM 0 H ILE A 103 4.952 27.890 -5.311 1.00 0.00 H new ATOM 0 HA ILE A 103 5.888 28.118 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 103 6.606 29.744 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.428 28.174 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.860 27.556 -4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.008 31.094 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.275 31.209 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.338 30.173 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.140 28.468 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 103 8.998 29.423 -5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.576 30.051 -4.197 1.00 0.00 H new ATOM 1645 N ASP A 104 4.006 29.663 -2.003 1.00 0.00 N ATOM 1646 CA ASP A 104 2.925 30.565 -1.578 1.00 0.00 C ATOM 1647 C ASP A 104 1.583 30.308 -2.291 1.00 0.00 C ATOM 1648 O ASP A 104 0.853 31.234 -2.652 1.00 0.00 O ATOM 1649 CB ASP A 104 3.403 32.026 -1.651 1.00 0.00 C ATOM 1650 CG ASP A 104 2.414 33.010 -0.997 1.00 0.00 C ATOM 1651 OD1 ASP A 104 1.941 32.751 0.133 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.152 34.088 -1.579 1.00 0.00 O ATOM 0 H ASP A 104 4.481 29.227 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 104 2.697 30.344 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 104 4.372 32.112 -1.160 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.549 32.304 -2.695 1.00 0.00 H new ATOM 1657 N VAL A 105 1.261 29.032 -2.518 1.00 0.00 N ATOM 1658 CA VAL A 105 -0.010 28.600 -3.101 1.00 0.00 C ATOM 1659 C VAL A 105 -1.040 28.288 -2.006 1.00 0.00 C ATOM 1660 O VAL A 105 -0.730 28.321 -0.810 1.00 0.00 O ATOM 1661 CB VAL A 105 0.212 27.379 -4.016 1.00 0.00 C ATOM 1662 CG1 VAL A 105 0.948 27.783 -5.291 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.915 26.209 -3.313 1.00 0.00 C ATOM 0 H VAL A 105 1.887 28.258 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.408 29.416 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.779 27.012 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.093 26.905 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.359 28.524 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.918 28.208 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.039 25.384 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.893 26.533 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.313 25.878 -2.467 1.00 0.00 H new ATOM 1673 N ASP A 106 -2.272 27.977 -2.422 1.00 0.00 N ATOM 1674 CA ASP A 106 -3.296 27.441 -1.529 1.00 0.00 C ATOM 1675 C ASP A 106 -2.905 26.021 -1.110 1.00 0.00 C ATOM 1676 O ASP A 106 -2.099 25.356 -1.765 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.663 27.399 -2.221 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.808 27.146 -1.231 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -6.269 28.108 -0.577 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -6.224 25.976 -1.085 1.00 0.00 O ATOM 0 H ASP A 106 -2.584 28.091 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.367 28.091 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.835 28.343 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.661 26.615 -2.979 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.542 25.532 -0.055 1.00 0.00 N ATOM 1686 CA ASP A 107 -3.357 24.182 0.468 1.00 0.00 C ATOM 1687 C ASP A 107 -3.764 23.140 -0.564 1.00 0.00 C ATOM 1688 O ASP A 107 -3.069 22.140 -0.710 1.00 0.00 O ATOM 1689 CB ASP A 107 -4.182 24.003 1.745 1.00 0.00 C ATOM 1690 CG ASP A 107 -4.063 22.568 2.287 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -3.009 22.225 2.868 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -5.046 21.800 2.190 1.00 0.00 O ATOM 0 H ASP A 107 -4.221 26.077 0.477 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.301 24.042 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.843 24.710 2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.228 24.232 1.541 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.837 23.376 -1.324 1.00 0.00 N ATOM 1698 CA ASP A 108 -5.335 22.389 -2.279 1.00 0.00 C ATOM 1699 C ASP A 108 -4.390 22.272 -3.481 1.00 0.00 C ATOM 1700 O ASP A 108 -4.192 21.186 -4.023 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.758 22.768 -2.719 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.590 21.584 -3.246 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -7.315 20.412 -2.906 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.602 21.841 -3.938 1.00 0.00 O ATOM 0 H ASP A 108 -5.375 24.242 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.371 21.412 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.280 23.218 -1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.696 23.529 -3.497 1.00 0.00 H new ATOM 1709 N THR A 109 -3.741 23.379 -3.866 1.00 0.00 N ATOM 1710 CA THR A 109 -2.725 23.388 -4.912 1.00 0.00 C ATOM 1711 C THR A 109 -1.459 22.720 -4.366 1.00 0.00 C ATOM 1712 O THR A 109 -0.913 21.837 -5.024 1.00 0.00 O ATOM 1713 CB THR A 109 -2.496 24.850 -5.329 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.694 25.355 -5.881 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.413 25.077 -6.386 1.00 0.00 C ATOM 0 H THR A 109 -3.912 24.296 -3.454 1.00 0.00 H new ATOM 0 HA THR A 109 -3.032 22.828 -5.795 1.00 0.00 H new ATOM 0 HB THR A 109 -2.170 25.351 -4.417 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.914 26.211 -5.457 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.336 26.142 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.456 24.713 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.674 24.538 -7.296 1.00 0.00 H new ATOM 1723 N GLN A 110 -1.010 23.068 -3.153 1.00 0.00 N ATOM 1724 CA GLN A 110 0.175 22.463 -2.561 1.00 0.00 C ATOM 1725 C GLN A 110 -0.004 20.951 -2.425 1.00 0.00 C ATOM 1726 O GLN A 110 0.941 20.207 -2.683 1.00 0.00 O ATOM 1727 CB GLN A 110 0.466 23.110 -1.200 1.00 0.00 C ATOM 1728 CG GLN A 110 1.751 22.603 -0.539 1.00 0.00 C ATOM 1729 CD GLN A 110 3.017 22.808 -1.378 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.677 23.837 -1.274 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.388 21.840 -2.203 1.00 0.00 N ATOM 0 H GLN A 110 -1.458 23.771 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 110 1.028 22.638 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.536 24.190 -1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.374 22.922 -0.531 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.878 23.110 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 110 1.640 21.540 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.828 20.991 -2.277 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.234 21.944 -2.764 1.00 0.00 H new ATOM 1740 N GLU A 111 -1.202 20.500 -2.053 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.547 19.093 -1.967 1.00 0.00 C ATOM 1742 C GLU A 111 -1.459 18.424 -3.325 1.00 0.00 C ATOM 1743 O GLU A 111 -0.934 17.323 -3.401 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.958 18.926 -1.384 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.913 18.882 0.147 1.00 0.00 C ATOM 1746 CD GLU A 111 -2.272 17.580 0.678 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.471 16.497 0.087 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -1.559 17.598 1.705 1.00 0.00 O ATOM 0 H GLU A 111 -1.971 21.120 -1.799 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.829 18.610 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.591 19.751 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.408 18.009 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.349 19.739 0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.925 18.973 0.541 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.909 19.069 -4.400 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.808 18.486 -5.733 1.00 0.00 C ATOM 1757 C ALA A 112 -0.342 18.214 -6.106 1.00 0.00 C ATOM 1758 O ALA A 112 -0.037 17.130 -6.606 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.495 19.392 -6.753 1.00 0.00 C ATOM 0 H ALA A 112 -2.345 19.991 -4.373 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.321 17.524 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.415 18.949 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.547 19.504 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.014 20.370 -6.753 1.00 0.00 H new ATOM 1765 N ILE A 113 0.570 19.157 -5.828 1.00 0.00 N ATOM 1766 CA ILE A 113 2.002 18.945 -6.044 1.00 0.00 C ATOM 1767 C ILE A 113 2.494 17.833 -5.113 1.00 0.00 C ATOM 1768 O ILE A 113 3.107 16.876 -5.582 1.00 0.00 O ATOM 1769 CB ILE A 113 2.806 20.258 -5.861 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.675 21.203 -7.075 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.311 20.031 -5.686 1.00 0.00 C ATOM 1772 CD1 ILE A 113 1.493 22.142 -6.933 1.00 0.00 C ATOM 0 H ILE A 113 0.336 20.076 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 113 2.166 18.632 -7.075 1.00 0.00 H new ATOM 0 HB ILE A 113 2.374 20.695 -4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 113 3.590 21.785 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 113 2.563 20.613 -7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.812 20.991 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.486 19.415 -4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.707 19.525 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.436 22.790 -7.808 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.574 21.561 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.618 22.751 -6.038 1.00 0.00 H new ATOM 1784 N ALA A 114 2.247 17.948 -3.805 1.00 0.00 N ATOM 1785 CA ALA A 114 2.834 17.056 -2.816 1.00 0.00 C ATOM 1786 C ALA A 114 2.386 15.616 -3.066 1.00 0.00 C ATOM 1787 O ALA A 114 3.206 14.706 -3.091 1.00 0.00 O ATOM 1788 CB ALA A 114 2.440 17.520 -1.410 1.00 0.00 C ATOM 0 H ALA A 114 1.636 18.662 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 114 3.920 17.086 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.880 16.852 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.805 18.534 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.354 17.505 -1.313 1.00 0.00 H new ATOM 1794 N ASP A 115 1.093 15.421 -3.306 1.00 0.00 N ATOM 1795 CA ASP A 115 0.482 14.117 -3.528 1.00 0.00 C ATOM 1796 C ASP A 115 0.992 13.471 -4.815 1.00 0.00 C ATOM 1797 O ASP A 115 1.238 12.264 -4.849 1.00 0.00 O ATOM 1798 CB ASP A 115 -1.041 14.272 -3.554 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.751 12.928 -3.400 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.601 12.316 -2.318 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.521 12.552 -4.307 1.00 0.00 O ATOM 0 H ASP A 115 0.423 16.189 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 115 0.762 13.453 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.352 14.941 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.343 14.737 -4.492 1.00 0.00 H new ATOM 1806 N TRP A 116 1.230 14.282 -5.852 1.00 0.00 N ATOM 1807 CA TRP A 116 1.867 13.818 -7.077 1.00 0.00 C ATOM 1808 C TRP A 116 3.316 13.399 -6.808 1.00 0.00 C ATOM 1809 O TRP A 116 3.749 12.346 -7.277 1.00 0.00 O ATOM 1810 CB TRP A 116 1.804 14.904 -8.159 1.00 0.00 C ATOM 1811 CG TRP A 116 2.545 14.550 -9.410 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.727 15.077 -9.806 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.228 13.509 -10.383 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.155 14.439 -10.951 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.260 13.478 -11.363 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.193 12.561 -10.517 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.243 12.577 -12.435 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.169 11.646 -11.587 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.191 11.655 -12.550 1.00 0.00 C ATOM 0 H TRP A 116 0.986 15.272 -5.860 1.00 0.00 H new ATOM 0 HA TRP A 116 1.325 12.944 -7.438 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.760 15.097 -8.408 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.212 15.831 -7.755 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.254 15.874 -9.303 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.028 14.653 -11.433 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.401 12.536 -9.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.035 12.592 -13.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.361 10.934 -11.667 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.168 10.957 -13.374 1.00 0.00 H new ATOM 1830 N LEU A 117 4.071 14.185 -6.033 1.00 0.00 N ATOM 1831 CA LEU A 117 5.451 13.856 -5.688 1.00 0.00 C ATOM 1832 C LEU A 117 5.513 12.599 -4.816 1.00 0.00 C ATOM 1833 O LEU A 117 6.453 11.817 -4.956 1.00 0.00 O ATOM 1834 CB LEU A 117 6.148 15.039 -4.996 1.00 0.00 C ATOM 1835 CG LEU A 117 6.407 16.253 -5.915 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.941 17.417 -5.076 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.394 15.942 -7.047 1.00 0.00 C ATOM 0 H LEU A 117 3.741 15.062 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 117 5.985 13.650 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.538 15.361 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.100 14.697 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 117 5.458 16.516 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.125 18.276 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.207 17.685 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.872 17.120 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.537 16.832 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.350 15.636 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.997 15.136 -7.665 1.00 0.00 H new ATOM 1849 N TYR A 118 4.521 12.352 -3.955 1.00 0.00 N ATOM 1850 CA TYR A 118 4.455 11.108 -3.201 1.00 0.00 C ATOM 1851 C TYR A 118 4.200 9.937 -4.148 1.00 0.00 C ATOM 1852 O TYR A 118 4.887 8.933 -4.023 1.00 0.00 O ATOM 1853 CB TYR A 118 3.410 11.169 -2.075 1.00 0.00 C ATOM 1854 CG TYR A 118 3.599 12.287 -1.058 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.881 12.645 -0.589 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.475 12.993 -0.590 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.038 13.726 0.298 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.624 14.092 0.270 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.909 14.464 0.723 1.00 0.00 C ATOM 1860 OH TYR A 118 4.045 15.527 1.565 1.00 0.00 O ATOM 0 H TYR A 118 3.756 13.000 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 118 5.418 10.955 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.423 11.276 -2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.417 10.216 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.747 12.086 -0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.486 12.685 -0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.022 13.992 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.757 14.653 0.585 1.00 0.00 H new ATOM 0 HH TYR A 118 3.163 15.914 1.749 1.00 0.00 H new ATOM 1870 N TRP A 119 3.296 10.052 -5.128 1.00 0.00 N ATOM 1871 CA TRP A 119 3.080 9.016 -6.146 1.00 0.00 C ATOM 1872 C TRP A 119 4.346 8.764 -6.973 1.00 0.00 C ATOM 1873 O TRP A 119 4.689 7.609 -7.243 1.00 0.00 O ATOM 1874 CB TRP A 119 1.877 9.413 -7.012 1.00 0.00 C ATOM 1875 CG TRP A 119 1.744 8.801 -8.380 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.493 9.128 -9.459 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.751 7.846 -8.876 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.060 8.428 -10.562 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.954 7.669 -10.276 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.326 7.136 -8.302 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.122 6.867 -11.065 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.193 6.356 -9.092 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.979 6.229 -10.475 1.00 0.00 C ATOM 0 H TRP A 119 2.693 10.867 -5.238 1.00 0.00 H new ATOM 0 HA TRP A 119 2.856 8.067 -5.659 1.00 0.00 H new ATOM 0 HB2 TRP A 119 0.973 9.174 -6.453 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.899 10.496 -7.134 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.310 9.834 -9.455 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.506 8.469 -11.478 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.488 7.192 -7.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.326 6.740 -12.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -2.029 5.851 -8.631 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.657 5.645 -11.079 1.00 0.00 H new ATOM 1894 N LEU A 120 5.079 9.820 -7.336 1.00 0.00 N ATOM 1895 CA LEU A 120 6.360 9.715 -8.024 1.00 0.00 C ATOM 1896 C LEU A 120 7.328 8.892 -7.175 1.00 0.00 C ATOM 1897 O LEU A 120 7.882 7.907 -7.662 1.00 0.00 O ATOM 1898 CB LEU A 120 6.885 11.134 -8.303 1.00 0.00 C ATOM 1899 CG LEU A 120 8.319 11.220 -8.856 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.429 10.637 -10.268 1.00 0.00 C ATOM 1901 CD2 LEU A 120 8.736 12.692 -8.868 1.00 0.00 C ATOM 0 H LEU A 120 4.792 10.782 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 120 6.252 9.201 -8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.213 11.617 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.838 11.707 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 120 8.977 10.631 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.458 10.720 -10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.134 9.588 -10.252 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.773 11.188 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.751 12.780 -9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.054 13.258 -9.503 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.701 13.088 -7.853 1.00 0.00 H new ATOM 1913 N ALA A 121 7.476 9.238 -5.892 1.00 0.00 N ATOM 1914 CA ALA A 121 8.304 8.485 -4.956 1.00 0.00 C ATOM 1915 C ALA A 121 7.745 7.082 -4.679 1.00 0.00 C ATOM 1916 O ALA A 121 8.501 6.200 -4.282 1.00 0.00 O ATOM 1917 CB ALA A 121 8.457 9.279 -3.656 1.00 0.00 C ATOM 0 H ALA A 121 7.022 10.051 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 121 9.283 8.343 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.076 8.716 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.930 10.238 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.474 9.449 -3.216 1.00 0.00 H new ATOM 1923 N ARG A 122 6.448 6.839 -4.891 1.00 0.00 N ATOM 1924 CA ARG A 122 5.823 5.519 -4.754 1.00 0.00 C ATOM 1925 C ARG A 122 6.237 4.597 -5.906 1.00 0.00 C ATOM 1926 O ARG A 122 5.980 3.396 -5.843 1.00 0.00 O ATOM 1927 CB ARG A 122 4.288 5.660 -4.696 1.00 0.00 C ATOM 1928 CG ARG A 122 3.579 4.700 -3.727 1.00 0.00 C ATOM 1929 CD ARG A 122 3.683 5.116 -2.244 1.00 0.00 C ATOM 1930 NE ARG A 122 4.725 4.396 -1.488 1.00 0.00 N ATOM 1931 CZ ARG A 122 4.642 3.141 -1.028 1.00 0.00 C ATOM 1932 NH1 ARG A 122 3.580 2.378 -1.283 1.00 0.00 N ATOM 1933 NH2 ARG A 122 5.650 2.654 -0.310 1.00 0.00 N ATOM 0 H ARG A 122 5.790 7.568 -5.168 1.00 0.00 H new ATOM 0 HA ARG A 122 6.168 5.070 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.044 6.684 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.887 5.502 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.526 4.634 -4.002 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.003 3.703 -3.845 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.885 6.186 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.719 4.949 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 122 5.590 4.902 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.809 2.747 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.538 1.425 -0.922 1.00 0.00 H new ATOM 0 HH21 ARG A 122 6.467 3.234 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.606 1.700 0.049 1.00 0.00 H new ATOM 1947 N GLY A 123 6.857 5.143 -6.956 1.00 0.00 N ATOM 1948 CA GLY A 123 7.200 4.398 -8.154 1.00 0.00 C ATOM 1949 C GLY A 123 5.966 4.167 -9.027 1.00 0.00 C ATOM 1950 O GLY A 123 5.895 3.128 -9.687 1.00 0.00 O ATOM 0 H GLY A 123 7.134 6.124 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.955 4.942 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.639 3.439 -7.877 1.00 0.00 H new ATOM 1954 N TYR A 124 5.027 5.131 -9.045 1.00 0.00 N ATOM 1955 CA TYR A 124 3.789 5.135 -9.826 1.00 0.00 C ATOM 1956 C TYR A 124 2.894 3.917 -9.531 1.00 0.00 C ATOM 1957 O TYR A 124 3.192 3.101 -8.654 1.00 0.00 O ATOM 1958 CB TYR A 124 4.158 5.266 -11.317 1.00 0.00 C ATOM 1959 CG TYR A 124 4.333 6.668 -11.863 1.00 0.00 C ATOM 1960 CD1 TYR A 124 5.202 7.582 -11.238 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.673 7.031 -13.053 1.00 0.00 C ATOM 1962 CE1 TYR A 124 5.437 8.841 -11.814 1.00 0.00 C ATOM 1963 CE2 TYR A 124 3.922 8.280 -13.644 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.832 9.179 -13.046 1.00 0.00 C ATOM 1965 OH TYR A 124 5.138 10.342 -13.681 1.00 0.00 O ATOM 0 H TYR A 124 5.124 5.975 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 124 3.180 5.991 -9.534 1.00 0.00 H new ATOM 0 HB2 TYR A 124 5.086 4.719 -11.485 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.384 4.769 -11.902 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.690 7.314 -10.312 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.974 6.347 -13.512 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.080 9.551 -11.316 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.416 8.554 -14.558 1.00 0.00 H new ATOM 0 HH TYR A 124 4.505 11.039 -13.410 1.00 0.00 H new ATOM 1975 N LYS A 125 1.772 3.805 -10.254 1.00 0.00 N ATOM 1976 CA LYS A 125 0.926 2.606 -10.255 1.00 0.00 C ATOM 1977 C LYS A 125 0.617 2.146 -11.678 1.00 0.00 C ATOM 1978 O LYS A 125 0.654 0.937 -11.918 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.383 2.825 -9.473 1.00 0.00 C ATOM 1980 CG LYS A 125 -0.194 3.250 -8.009 1.00 0.00 C ATOM 1981 CD LYS A 125 0.345 2.115 -7.124 1.00 0.00 C ATOM 1982 CE LYS A 125 0.593 2.642 -5.707 1.00 0.00 C ATOM 1983 NZ LYS A 125 1.129 1.597 -4.802 1.00 0.00 N ATOM 0 H LYS A 125 1.424 4.549 -10.858 1.00 0.00 H new ATOM 0 HA LYS A 125 1.492 1.823 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.973 3.586 -9.984 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.963 1.903 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.493 4.095 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.148 3.594 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.368 1.291 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.271 1.721 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.293 3.476 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.340 3.030 -5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 1.360 2.021 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.416 0.852 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.988 1.185 -5.218 1.00 0.00 H new ATOM 1997 N PHE A 126 0.324 3.059 -12.616 1.00 0.00 N ATOM 1998 CA PHE A 126 0.221 2.670 -14.020 1.00 0.00 C ATOM 1999 C PHE A 126 1.615 2.350 -14.567 1.00 0.00 C ATOM 2000 O PHE A 126 2.614 2.914 -14.071 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.555 3.689 -14.870 1.00 0.00 C ATOM 2002 CG PHE A 126 0.024 5.082 -15.067 1.00 0.00 C ATOM 2003 CD1 PHE A 126 1.115 5.290 -15.934 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -0.600 6.194 -14.469 1.00 0.00 C ATOM 2005 CE1 PHE A 126 1.578 6.593 -16.196 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -0.137 7.497 -14.729 1.00 0.00 C ATOM 2007 CZ PHE A 126 0.948 7.698 -15.598 1.00 0.00 C ATOM 2008 OXT PHE A 126 1.709 1.510 -15.485 1.00 0.00 O ATOM 0 H PHE A 126 0.159 4.048 -12.430 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.379 1.762 -14.084 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.700 3.251 -15.857 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -1.543 3.804 -14.424 1.00 0.00 H new ATOM 0 HD1 PHE A 126 1.599 4.445 -16.400 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -1.440 6.046 -13.806 1.00 0.00 H new ATOM 0 HE1 PHE A 126 2.418 6.744 -16.857 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -0.616 8.343 -14.260 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.297 8.699 -15.806 1.00 0.00 H new TER 2018 PHE A 126