USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=30 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 68 MET CE :methyl -178:sc= 0 (180deg=-0.00646) USER MOD Set 1.2: A 74 CYS SG : rot -178:sc= 0.351 USER MOD Set 2.1: A 52 SER OG : rot -179:sc= 0.479 USER MOD Set 2.2: A 96 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0.795) 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 94:sc= 1.26 USER MOD Single : A 12 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot -87:sc= 1.28 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.2) USER MOD Single : A 30 MET CE :methyl 142:sc= -0.932 (180deg=-2.93!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 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 89:sc= 1.32 USER MOD Single : A 45 MET CE :methyl -174:sc= -0.213 (180deg=-0.29) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) 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 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 57 THR OG1 : rot -30:sc= 1.16 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0.0738 (180deg=0.0675) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 3.11 (180deg=3.11) USER MOD Single : A 78 MET CE :methyl -154:sc= -0.0205 (180deg=-0.0432) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 135:sc= 1.98 USER MOD Single : A 109 THR OG1 : rot 110:sc= 0.386 USER MOD Single : A 110 GLN : amide:sc= 0.323 X(o=0.32,f=-0.12) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -36:sc= 0.391 USER MOD Single : A 125 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.476 -1.402 -1.879 1.00 0.00 N ATOM 2 CA MET A 1 9.228 -0.755 -0.567 1.00 0.00 C ATOM 3 C MET A 1 8.311 0.462 -0.750 1.00 0.00 C ATOM 4 O MET A 1 7.095 0.322 -0.611 1.00 0.00 O ATOM 5 CB MET A 1 10.545 -0.464 0.191 1.00 0.00 C ATOM 6 CG MET A 1 10.308 -0.047 1.650 1.00 0.00 C ATOM 7 SD MET A 1 9.475 -1.276 2.702 1.00 0.00 S ATOM 8 CE MET A 1 10.795 -2.508 2.903 1.00 0.00 C ATOM 0 H1 MET A 1 10.098 -2.225 -1.748 1.00 0.00 H new ATOM 0 H2 MET A 1 8.572 -1.712 -2.289 1.00 0.00 H new ATOM 0 H3 MET A 1 9.932 -0.722 -2.521 1.00 0.00 H new ATOM 0 HA MET A 1 8.694 -1.447 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.176 -1.352 0.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.090 0.327 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.271 0.195 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.716 0.868 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.436 -3.327 3.526 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.083 -2.895 1.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.658 -2.042 3.378 1.00 0.00 H new ATOM 20 N ALA A 2 8.874 1.625 -1.118 1.00 0.00 N ATOM 21 CA ALA A 2 8.173 2.873 -1.439 1.00 0.00 C ATOM 22 C ALA A 2 7.029 3.202 -0.465 1.00 0.00 C ATOM 23 O ALA A 2 5.889 3.407 -0.882 1.00 0.00 O ATOM 24 CB ALA A 2 7.731 2.865 -2.910 1.00 0.00 C ATOM 0 H ALA A 2 9.886 1.722 -1.203 1.00 0.00 H new ATOM 0 HA ALA A 2 8.879 3.692 -1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.211 3.795 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.606 2.771 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.061 2.023 -3.084 1.00 0.00 H new ATOM 30 N SER A 3 7.337 3.286 0.829 1.00 0.00 N ATOM 31 CA SER A 3 6.390 3.551 1.917 1.00 0.00 C ATOM 32 C SER A 3 5.953 5.030 1.983 1.00 0.00 C ATOM 33 O SER A 3 5.642 5.557 3.054 1.00 0.00 O ATOM 34 CB SER A 3 7.021 3.093 3.240 1.00 0.00 C ATOM 35 OG SER A 3 7.581 1.793 3.118 1.00 0.00 O ATOM 0 H SER A 3 8.293 3.167 1.164 1.00 0.00 H new ATOM 0 HA SER A 3 5.478 2.986 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.795 3.799 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.266 3.095 4.026 1.00 0.00 H new ATOM 0 HG SER A 3 7.978 1.526 3.973 1.00 0.00 H new ATOM 41 N VAL A 4 6.024 5.736 0.854 1.00 0.00 N ATOM 42 CA VAL A 4 5.759 7.162 0.716 1.00 0.00 C ATOM 43 C VAL A 4 4.295 7.545 0.987 1.00 0.00 C ATOM 44 O VAL A 4 4.029 8.718 1.254 1.00 0.00 O ATOM 45 CB VAL A 4 6.216 7.632 -0.684 1.00 0.00 C ATOM 46 CG1 VAL A 4 7.742 7.780 -0.748 1.00 0.00 C ATOM 47 CG2 VAL A 4 5.764 6.720 -1.829 1.00 0.00 C ATOM 0 H VAL A 4 6.282 5.303 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 4 6.334 7.678 1.485 1.00 0.00 H new ATOM 0 HB VAL A 4 5.730 8.598 -0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.034 8.112 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.068 8.514 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.210 6.819 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.125 7.120 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.169 5.719 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.675 6.671 -1.847 1.00 0.00 H new ATOM 57 N GLU A 5 3.343 6.606 0.928 1.00 0.00 N ATOM 58 CA GLU A 5 1.941 6.896 1.215 1.00 0.00 C ATOM 59 C GLU A 5 1.770 7.352 2.673 1.00 0.00 C ATOM 60 O GLU A 5 2.484 6.888 3.567 1.00 0.00 O ATOM 61 CB GLU A 5 1.044 5.688 0.873 1.00 0.00 C ATOM 62 CG GLU A 5 1.075 4.503 1.859 1.00 0.00 C ATOM 63 CD GLU A 5 2.443 3.813 2.016 1.00 0.00 C ATOM 64 OE1 GLU A 5 3.225 3.774 1.039 1.00 0.00 O ATOM 65 OE2 GLU A 5 2.712 3.256 3.106 1.00 0.00 O ATOM 0 H GLU A 5 3.525 5.633 0.682 1.00 0.00 H new ATOM 0 HA GLU A 5 1.619 7.719 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.015 6.039 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.330 5.319 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.751 4.857 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.347 3.760 1.532 1.00 0.00 H new ATOM 72 N ARG A 6 0.795 8.235 2.930 1.00 0.00 N ATOM 73 CA ARG A 6 0.425 8.618 4.292 1.00 0.00 C ATOM 74 C ARG A 6 -0.162 7.404 5.017 1.00 0.00 C ATOM 75 O ARG A 6 0.173 7.155 6.174 1.00 0.00 O ATOM 76 CB ARG A 6 -0.527 9.830 4.216 1.00 0.00 C ATOM 77 CG ARG A 6 -1.143 10.260 5.558 1.00 0.00 C ATOM 78 CD ARG A 6 -2.520 9.618 5.772 1.00 0.00 C ATOM 79 NE ARG A 6 -3.052 9.903 7.117 1.00 0.00 N ATOM 80 CZ ARG A 6 -4.234 9.490 7.595 1.00 0.00 C ATOM 81 NH1 ARG A 6 -5.075 8.800 6.827 1.00 0.00 N ATOM 82 NH2 ARG A 6 -4.569 9.772 8.850 1.00 0.00 N ATOM 0 H ARG A 6 0.248 8.698 2.204 1.00 0.00 H new ATOM 0 HA ARG A 6 1.289 8.930 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.019 10.675 3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.334 9.596 3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.477 9.977 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.237 11.346 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.216 9.990 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.444 8.540 5.632 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.469 10.464 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.822 8.580 5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.972 8.491 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.928 10.300 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.467 9.461 9.220 1.00 0.00 H new ATOM 96 N ASP A 7 -1.021 6.650 4.330 1.00 0.00 N ATOM 97 CA ASP A 7 -1.645 5.403 4.765 1.00 0.00 C ATOM 98 C ASP A 7 -2.229 4.759 3.503 1.00 0.00 C ATOM 99 O ASP A 7 -2.381 5.450 2.492 1.00 0.00 O ATOM 100 CB ASP A 7 -2.763 5.704 5.778 1.00 0.00 C ATOM 101 CG ASP A 7 -3.454 4.424 6.260 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.845 3.662 7.043 1.00 0.00 O ATOM 103 OD2 ASP A 7 -4.602 4.183 5.829 1.00 0.00 O ATOM 0 H ASP A 7 -1.319 6.914 3.391 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.929 4.741 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.345 6.236 6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.500 6.365 5.321 1.00 0.00 H new ATOM 108 N GLU A 8 -2.609 3.479 3.525 1.00 0.00 N ATOM 109 CA GLU A 8 -3.326 2.856 2.409 1.00 0.00 C ATOM 110 C GLU A 8 -4.645 3.581 2.086 1.00 0.00 C ATOM 111 O GLU A 8 -5.092 3.558 0.940 1.00 0.00 O ATOM 112 CB GLU A 8 -3.535 1.354 2.664 1.00 0.00 C ATOM 113 CG GLU A 8 -4.430 1.036 3.872 1.00 0.00 C ATOM 114 CD GLU A 8 -4.605 -0.482 4.058 1.00 0.00 C ATOM 115 OE1 GLU A 8 -5.557 -1.065 3.492 1.00 0.00 O ATOM 116 OE2 GLU A 8 -3.802 -1.110 4.786 1.00 0.00 O ATOM 0 H GLU A 8 -2.431 2.850 4.308 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.703 2.956 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.973 0.904 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.563 0.884 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.994 1.466 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.406 1.502 3.736 1.00 0.00 H new ATOM 123 N THR A 9 -5.237 4.290 3.052 1.00 0.00 N ATOM 124 CA THR A 9 -6.365 5.185 2.819 1.00 0.00 C ATOM 125 C THR A 9 -6.038 6.230 1.740 1.00 0.00 C ATOM 126 O THR A 9 -6.917 6.575 0.952 1.00 0.00 O ATOM 127 CB THR A 9 -6.776 5.838 4.151 1.00 0.00 C ATOM 128 OG1 THR A 9 -6.997 4.854 5.140 1.00 0.00 O ATOM 129 CG2 THR A 9 -8.043 6.694 4.041 1.00 0.00 C ATOM 0 H THR A 9 -4.940 4.255 4.027 1.00 0.00 H new ATOM 0 HA THR A 9 -7.209 4.609 2.440 1.00 0.00 H new ATOM 0 HB THR A 9 -5.946 6.490 4.425 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.176 4.722 5.659 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.277 7.125 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.880 7.495 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.875 6.072 3.710 1.00 0.00 H new ATOM 137 N ARG A 10 -4.791 6.716 1.641 1.00 0.00 N ATOM 138 CA ARG A 10 -4.421 7.658 0.584 1.00 0.00 C ATOM 139 C ARG A 10 -4.538 6.971 -0.770 1.00 0.00 C ATOM 140 O ARG A 10 -5.123 7.539 -1.686 1.00 0.00 O ATOM 141 CB ARG A 10 -3.002 8.218 0.825 1.00 0.00 C ATOM 142 CG ARG A 10 -2.572 9.270 -0.214 1.00 0.00 C ATOM 143 CD ARG A 10 -3.383 10.573 -0.129 1.00 0.00 C ATOM 144 NE ARG A 10 -3.595 11.149 -1.465 1.00 0.00 N ATOM 145 CZ ARG A 10 -4.704 11.744 -1.919 1.00 0.00 C ATOM 146 NH1 ARG A 10 -5.747 11.960 -1.119 1.00 0.00 N ATOM 147 NH2 ARG A 10 -4.762 12.129 -3.186 1.00 0.00 N ATOM 0 H ARG A 10 -4.031 6.472 2.276 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.104 8.507 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.959 8.662 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.288 7.394 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.515 9.498 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.678 8.848 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.346 10.376 0.343 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.859 11.291 0.502 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.812 11.088 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.709 11.670 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.584 12.415 -1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.966 11.971 -3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.602 12.584 -3.543 1.00 0.00 H new ATOM 161 N GLU A 11 -4.035 5.744 -0.892 1.00 0.00 N ATOM 162 CA GLU A 11 -4.138 4.970 -2.124 1.00 0.00 C ATOM 163 C GLU A 11 -5.603 4.728 -2.488 1.00 0.00 C ATOM 164 O GLU A 11 -5.967 4.849 -3.656 1.00 0.00 O ATOM 165 CB GLU A 11 -3.374 3.644 -2.008 1.00 0.00 C ATOM 166 CG GLU A 11 -1.907 3.864 -1.618 1.00 0.00 C ATOM 167 CD GLU A 11 -1.063 2.611 -1.861 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.884 2.240 -3.044 1.00 0.00 O ATOM 169 OE2 GLU A 11 -0.456 2.075 -0.909 1.00 0.00 O ATOM 0 H GLU A 11 -3.545 5.260 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.680 5.548 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.857 3.010 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.422 3.113 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.498 4.695 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.848 4.144 -0.566 1.00 0.00 H new ATOM 176 N HIS A 12 -6.458 4.451 -1.501 1.00 0.00 N ATOM 177 CA HIS A 12 -7.887 4.294 -1.742 1.00 0.00 C ATOM 178 C HIS A 12 -8.518 5.614 -2.212 1.00 0.00 C ATOM 179 O HIS A 12 -9.359 5.609 -3.109 1.00 0.00 O ATOM 180 CB HIS A 12 -8.579 3.747 -0.488 1.00 0.00 C ATOM 181 CG HIS A 12 -10.017 3.349 -0.722 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.511 2.603 -1.773 1.00 0.00 N ATOM 183 CD2 HIS A 12 -11.079 3.648 0.090 1.00 0.00 C ATOM 184 CE1 HIS A 12 -11.834 2.459 -1.595 1.00 0.00 C ATOM 185 NE2 HIS A 12 -12.233 3.079 -0.467 1.00 0.00 N ATOM 0 H HIS A 12 -6.181 4.331 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.027 3.571 -2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.025 2.882 -0.124 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.542 4.502 0.297 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.966 2.227 -2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -11.035 4.223 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.489 1.920 -2.264 1.00 0.00 H new ATOM 193 N ARG A 13 -8.110 6.762 -1.661 1.00 0.00 N ATOM 194 CA ARG A 13 -8.614 8.068 -2.095 1.00 0.00 C ATOM 195 C ARG A 13 -8.137 8.401 -3.509 1.00 0.00 C ATOM 196 O ARG A 13 -8.930 8.908 -4.297 1.00 0.00 O ATOM 197 CB ARG A 13 -8.221 9.156 -1.082 1.00 0.00 C ATOM 198 CG ARG A 13 -9.066 9.037 0.199 1.00 0.00 C ATOM 199 CD ARG A 13 -8.578 9.990 1.295 1.00 0.00 C ATOM 200 NE ARG A 13 -9.399 9.866 2.514 1.00 0.00 N ATOM 201 CZ ARG A 13 -9.164 10.469 3.688 1.00 0.00 C ATOM 202 NH1 ARG A 13 -8.119 11.279 3.841 1.00 0.00 N ATOM 203 NH2 ARG A 13 -9.983 10.252 4.712 1.00 0.00 N ATOM 0 H ARG A 13 -7.425 6.812 -0.906 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.703 8.027 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.163 9.065 -0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.362 10.141 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.109 9.253 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.027 8.011 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.536 9.773 1.531 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.615 11.017 0.931 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.222 9.266 2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.485 11.447 3.060 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.952 11.732 4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.784 9.630 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.811 10.707 5.608 1.00 0.00 H new ATOM 217 N ILE A 14 -6.891 8.077 -3.866 1.00 0.00 N ATOM 218 CA ILE A 14 -6.394 8.180 -5.241 1.00 0.00 C ATOM 219 C ILE A 14 -7.312 7.346 -6.143 1.00 0.00 C ATOM 220 O ILE A 14 -7.849 7.852 -7.132 1.00 0.00 O ATOM 221 CB ILE A 14 -4.911 7.724 -5.291 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.994 8.752 -4.588 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.425 7.448 -6.727 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.580 8.226 -4.309 1.00 0.00 C ATOM 0 H ILE A 14 -6.194 7.734 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.414 9.209 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.854 6.779 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.924 9.646 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.453 9.051 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.382 7.133 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.033 6.660 -7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.516 8.356 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.994 9.001 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.639 7.349 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.101 7.954 -5.249 1.00 0.00 H new ATOM 236 N GLU A 15 -7.517 6.082 -5.773 1.00 0.00 N ATOM 237 CA GLU A 15 -8.289 5.106 -6.527 1.00 0.00 C ATOM 238 C GLU A 15 -9.740 5.555 -6.747 1.00 0.00 C ATOM 239 O GLU A 15 -10.314 5.244 -7.789 1.00 0.00 O ATOM 240 CB GLU A 15 -8.199 3.769 -5.767 1.00 0.00 C ATOM 241 CG GLU A 15 -9.190 2.679 -6.189 1.00 0.00 C ATOM 242 CD GLU A 15 -9.033 1.429 -5.304 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.401 1.478 -4.107 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.554 0.384 -5.804 1.00 0.00 O ATOM 0 H GLU A 15 -7.134 5.700 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.877 4.996 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.189 3.377 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.342 3.969 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.209 3.058 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.024 2.414 -7.233 1.00 0.00 H new ATOM 251 N THR A 16 -10.325 6.299 -5.805 1.00 0.00 N ATOM 252 CA THR A 16 -11.746 6.650 -5.814 1.00 0.00 C ATOM 253 C THR A 16 -11.994 8.120 -6.201 1.00 0.00 C ATOM 254 O THR A 16 -13.140 8.572 -6.158 1.00 0.00 O ATOM 255 CB THR A 16 -12.398 6.250 -4.474 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.714 6.793 -3.364 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.459 4.726 -4.307 1.00 0.00 C ATOM 0 H THR A 16 -9.818 6.679 -5.005 1.00 0.00 H new ATOM 0 HA THR A 16 -12.235 6.075 -6.601 1.00 0.00 H new ATOM 0 HB THR A 16 -13.409 6.657 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.986 6.192 -3.102 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.924 4.483 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.047 4.294 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.449 4.316 -4.333 1.00 0.00 H new ATOM 265 N GLU A 17 -10.960 8.862 -6.625 1.00 0.00 N ATOM 266 CA GLU A 17 -11.106 10.269 -7.001 1.00 0.00 C ATOM 267 C GLU A 17 -10.241 10.629 -8.211 1.00 0.00 C ATOM 268 O GLU A 17 -10.754 11.201 -9.173 1.00 0.00 O ATOM 269 CB GLU A 17 -10.763 11.157 -5.788 1.00 0.00 C ATOM 270 CG GLU A 17 -11.131 12.637 -5.977 1.00 0.00 C ATOM 271 CD GLU A 17 -12.654 12.866 -6.013 1.00 0.00 C ATOM 272 OE1 GLU A 17 -13.280 12.997 -4.936 1.00 0.00 O ATOM 273 OE2 GLU A 17 -13.239 12.946 -7.116 1.00 0.00 O ATOM 0 H GLU A 17 -10.009 8.504 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.141 10.444 -7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.282 10.773 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.695 11.081 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.698 13.222 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.690 13.002 -6.904 1.00 0.00 H new ATOM 280 N ILE A 18 -8.948 10.290 -8.196 1.00 0.00 N ATOM 281 CA ILE A 18 -8.016 10.733 -9.233 1.00 0.00 C ATOM 282 C ILE A 18 -8.160 9.831 -10.461 1.00 0.00 C ATOM 283 O ILE A 18 -8.271 10.331 -11.580 1.00 0.00 O ATOM 284 CB ILE A 18 -6.565 10.768 -8.693 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.487 11.630 -7.410 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.612 11.315 -9.770 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.064 11.904 -6.910 1.00 0.00 C ATOM 0 H ILE A 18 -8.524 9.708 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.257 11.753 -9.532 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.260 9.752 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.982 12.583 -7.598 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.046 11.131 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.595 11.335 -9.379 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.650 10.673 -10.650 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.915 12.325 -10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.107 12.514 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.569 10.959 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.503 12.434 -7.680 1.00 0.00 H new ATOM 299 N ILE A 19 -8.191 8.509 -10.261 1.00 0.00 N ATOM 300 CA ILE A 19 -8.135 7.528 -11.349 1.00 0.00 C ATOM 301 C ILE A 19 -9.373 6.620 -11.381 1.00 0.00 C ATOM 302 O ILE A 19 -9.391 5.628 -12.106 1.00 0.00 O ATOM 303 CB ILE A 19 -6.798 6.773 -11.315 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.636 6.024 -9.980 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.631 7.740 -11.615 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.398 5.146 -10.005 1.00 0.00 C ATOM 0 H ILE A 19 -8.256 8.088 -9.334 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.168 8.058 -12.301 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.786 6.014 -12.098 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.564 6.740 -9.162 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.518 5.412 -9.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.689 7.193 -11.588 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.767 8.179 -12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.612 8.531 -10.866 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.302 4.625 -9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.486 4.416 -10.810 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.516 5.765 -10.171 1.00 0.00 H new ATOM 318 N VAL A 20 -10.423 6.965 -10.632 1.00 0.00 N ATOM 319 CA VAL A 20 -11.676 6.210 -10.587 1.00 0.00 C ATOM 320 C VAL A 20 -12.297 6.035 -11.983 1.00 0.00 C ATOM 321 O VAL A 20 -12.885 4.992 -12.274 1.00 0.00 O ATOM 322 CB VAL A 20 -12.619 6.885 -9.568 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.130 8.269 -9.999 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.799 5.987 -9.178 1.00 0.00 C ATOM 0 H VAL A 20 -10.426 7.789 -10.031 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.484 5.192 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.991 7.042 -8.691 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.785 8.672 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.284 8.941 -10.143 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.684 8.178 -10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.431 6.509 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.382 5.746 -10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.424 5.067 -8.730 1.00 0.00 H new ATOM 334 N ASP A 21 -12.140 7.034 -12.860 1.00 0.00 N ATOM 335 CA ASP A 21 -12.694 7.027 -14.216 1.00 0.00 C ATOM 336 C ASP A 21 -11.733 6.386 -15.231 1.00 0.00 C ATOM 337 O ASP A 21 -12.107 6.162 -16.384 1.00 0.00 O ATOM 338 CB ASP A 21 -13.016 8.474 -14.619 1.00 0.00 C ATOM 339 CG ASP A 21 -13.726 8.564 -15.981 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.859 8.046 -16.116 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.188 9.212 -16.907 1.00 0.00 O ATOM 0 H ASP A 21 -11.616 7.882 -12.643 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.600 6.422 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.646 8.929 -13.854 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.092 9.051 -14.656 1.00 0.00 H new ATOM 346 N ALA A 22 -10.489 6.103 -14.826 1.00 0.00 N ATOM 347 CA ALA A 22 -9.454 5.586 -15.714 1.00 0.00 C ATOM 348 C ALA A 22 -9.641 4.086 -15.993 1.00 0.00 C ATOM 349 O ALA A 22 -10.473 3.417 -15.374 1.00 0.00 O ATOM 350 CB ALA A 22 -8.068 5.885 -15.130 1.00 0.00 C ATOM 0 H ALA A 22 -10.175 6.229 -13.864 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.540 6.093 -16.675 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.300 5.496 -15.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.943 6.962 -15.022 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.974 5.409 -14.154 1.00 0.00 H new ATOM 356 N GLU A 23 -8.839 3.551 -16.920 1.00 0.00 N ATOM 357 CA GLU A 23 -8.902 2.157 -17.361 1.00 0.00 C ATOM 358 C GLU A 23 -7.525 1.696 -17.858 1.00 0.00 C ATOM 359 O GLU A 23 -7.078 0.600 -17.514 1.00 0.00 O ATOM 360 CB GLU A 23 -9.958 2.042 -18.478 1.00 0.00 C ATOM 361 CG GLU A 23 -10.264 0.599 -18.908 1.00 0.00 C ATOM 362 CD GLU A 23 -10.981 -0.208 -17.808 1.00 0.00 C ATOM 363 OE1 GLU A 23 -12.228 -0.144 -17.716 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.311 -0.937 -17.042 1.00 0.00 O ATOM 0 H GLU A 23 -8.113 4.088 -17.394 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.186 1.513 -16.528 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.881 2.512 -18.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.614 2.603 -19.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.884 0.615 -19.804 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.333 0.098 -19.173 1.00 0.00 H new ATOM 371 N ASP A 24 -6.802 2.554 -18.585 1.00 0.00 N ATOM 372 CA ASP A 24 -5.482 2.267 -19.156 1.00 0.00 C ATOM 373 C ASP A 24 -4.545 3.435 -18.835 1.00 0.00 C ATOM 374 O ASP A 24 -4.981 4.459 -18.311 1.00 0.00 O ATOM 375 CB ASP A 24 -5.611 2.039 -20.674 1.00 0.00 C ATOM 376 CG ASP A 24 -4.415 1.328 -21.339 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.403 1.026 -20.666 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.483 1.077 -22.562 1.00 0.00 O ATOM 0 H ASP A 24 -7.129 3.496 -18.799 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.065 1.358 -18.723 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.511 1.453 -20.861 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.753 3.005 -21.159 1.00 0.00 H new ATOM 383 N LYS A 25 -3.262 3.295 -19.148 1.00 0.00 N ATOM 384 CA LYS A 25 -2.186 4.219 -18.788 1.00 0.00 C ATOM 385 C LYS A 25 -2.446 5.654 -19.235 1.00 0.00 C ATOM 386 O LYS A 25 -2.169 6.585 -18.482 1.00 0.00 O ATOM 387 CB LYS A 25 -0.851 3.680 -19.330 1.00 0.00 C ATOM 388 CG LYS A 25 -0.779 3.525 -20.864 1.00 0.00 C ATOM 389 CD LYS A 25 0.394 2.638 -21.308 1.00 0.00 C ATOM 390 CE LYS A 25 0.284 1.175 -20.839 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.819 0.423 -21.492 1.00 0.00 N ATOM 0 H LYS A 25 -2.925 2.497 -19.686 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.140 4.269 -17.700 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.051 4.348 -19.010 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.657 2.709 -18.873 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.713 3.096 -21.227 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.680 4.509 -21.322 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.459 2.656 -22.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.322 3.063 -20.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.227 0.666 -21.038 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.135 1.158 -19.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.667 -0.598 -21.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.726 0.695 -21.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.836 0.644 -22.508 1.00 0.00 H new ATOM 405 N GLU A 26 -3.008 5.832 -20.432 1.00 0.00 N ATOM 406 CA GLU A 26 -3.335 7.154 -20.956 1.00 0.00 C ATOM 407 C GLU A 26 -4.452 7.765 -20.111 1.00 0.00 C ATOM 408 O GLU A 26 -4.386 8.934 -19.736 1.00 0.00 O ATOM 409 CB GLU A 26 -3.760 7.046 -22.430 1.00 0.00 C ATOM 410 CG GLU A 26 -2.594 6.640 -23.343 1.00 0.00 C ATOM 411 CD GLU A 26 -3.029 6.566 -24.817 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.489 5.493 -25.270 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.895 7.573 -25.550 1.00 0.00 O ATOM 0 H GLU A 26 -3.247 5.066 -21.061 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.458 7.799 -20.904 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.563 6.314 -22.522 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.162 8.003 -22.761 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.782 7.359 -23.238 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.205 5.672 -23.029 1.00 0.00 H new ATOM 420 N GLU A 27 -5.455 6.963 -19.750 1.00 0.00 N ATOM 421 CA GLU A 27 -6.574 7.416 -18.939 1.00 0.00 C ATOM 422 C GLU A 27 -6.112 7.706 -17.509 1.00 0.00 C ATOM 423 O GLU A 27 -6.598 8.654 -16.898 1.00 0.00 O ATOM 424 CB GLU A 27 -7.709 6.380 -18.949 1.00 0.00 C ATOM 425 CG GLU A 27 -8.150 5.910 -20.345 1.00 0.00 C ATOM 426 CD GLU A 27 -8.576 7.065 -21.273 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.478 7.850 -20.906 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.038 7.174 -22.398 1.00 0.00 O ATOM 0 H GLU A 27 -5.509 5.980 -20.015 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.960 8.340 -19.369 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.392 5.511 -18.373 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.572 6.804 -18.436 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.331 5.362 -20.811 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.981 5.213 -20.240 1.00 0.00 H new ATOM 435 N ARG A 28 -5.157 6.938 -16.966 1.00 0.00 N ATOM 436 CA ARG A 28 -4.606 7.209 -15.638 1.00 0.00 C ATOM 437 C ARG A 28 -3.819 8.517 -15.657 1.00 0.00 C ATOM 438 O ARG A 28 -3.973 9.319 -14.737 1.00 0.00 O ATOM 439 CB ARG A 28 -3.756 6.025 -15.137 1.00 0.00 C ATOM 440 CG ARG A 28 -4.628 4.841 -14.690 1.00 0.00 C ATOM 441 CD ARG A 28 -3.819 3.675 -14.095 1.00 0.00 C ATOM 442 NE ARG A 28 -3.258 2.775 -15.119 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.905 1.808 -15.778 1.00 0.00 C ATOM 444 NH1 ARG A 28 -5.206 1.593 -15.594 1.00 0.00 N ATOM 445 NH2 ARG A 28 -3.213 1.065 -16.628 1.00 0.00 N ATOM 0 H ARG A 28 -4.752 6.124 -17.429 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.427 7.324 -14.930 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.083 5.701 -15.930 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.133 6.352 -14.304 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.348 5.189 -13.949 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.200 4.478 -15.544 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.007 4.077 -13.489 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.460 3.100 -13.427 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.273 2.903 -15.349 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.731 2.172 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.678 0.849 -16.108 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.217 1.239 -16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.676 0.319 -17.147 1.00 0.00 H new ATOM 459 N ALA A 29 -3.026 8.768 -16.703 1.00 0.00 N ATOM 460 CA ALA A 29 -2.317 10.030 -16.865 1.00 0.00 C ATOM 461 C ALA A 29 -3.314 11.190 -16.950 1.00 0.00 C ATOM 462 O ALA A 29 -3.130 12.201 -16.273 1.00 0.00 O ATOM 463 CB ALA A 29 -1.398 9.947 -18.090 1.00 0.00 C ATOM 0 H ALA A 29 -2.861 8.101 -17.457 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.687 10.221 -15.996 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.867 10.891 -18.211 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.677 9.141 -17.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.995 9.749 -18.980 1.00 0.00 H new ATOM 469 N MET A 30 -4.404 11.032 -17.707 1.00 0.00 N ATOM 470 CA MET A 30 -5.462 12.036 -17.774 1.00 0.00 C ATOM 471 C MET A 30 -6.166 12.227 -16.431 1.00 0.00 C ATOM 472 O MET A 30 -6.440 13.367 -16.066 1.00 0.00 O ATOM 473 CB MET A 30 -6.452 11.715 -18.897 1.00 0.00 C ATOM 474 CG MET A 30 -5.837 11.898 -20.293 1.00 0.00 C ATOM 475 SD MET A 30 -5.331 13.587 -20.748 1.00 0.00 S ATOM 476 CE MET A 30 -3.608 13.660 -20.169 1.00 0.00 C ATOM 0 H MET A 30 -4.574 10.209 -18.286 1.00 0.00 H new ATOM 0 HA MET A 30 -4.990 12.990 -18.010 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.799 10.688 -18.788 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.326 12.359 -18.801 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.964 11.249 -20.368 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.559 11.548 -21.031 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.008 14.226 -20.882 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.572 14.148 -19.195 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.210 12.649 -20.083 1.00 0.00 H new ATOM 486 N GLY A 31 -6.405 11.163 -15.664 1.00 0.00 N ATOM 487 CA GLY A 31 -7.000 11.256 -14.339 1.00 0.00 C ATOM 488 C GLY A 31 -6.162 12.154 -13.429 1.00 0.00 C ATOM 489 O GLY A 31 -6.677 13.121 -12.860 1.00 0.00 O ATOM 0 H GLY A 31 -6.188 10.208 -15.950 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.012 11.653 -14.417 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.081 10.261 -13.901 1.00 0.00 H new ATOM 493 N TRP A 32 -4.852 11.890 -13.361 1.00 0.00 N ATOM 494 CA TRP A 32 -3.923 12.734 -12.619 1.00 0.00 C ATOM 495 C TRP A 32 -3.928 14.168 -13.145 1.00 0.00 C ATOM 496 O TRP A 32 -4.032 15.104 -12.352 1.00 0.00 O ATOM 497 CB TRP A 32 -2.510 12.140 -12.660 1.00 0.00 C ATOM 498 CG TRP A 32 -2.259 11.100 -11.616 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.323 9.762 -11.781 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.922 11.310 -10.212 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.019 9.129 -10.594 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.798 10.038 -9.579 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.724 12.455 -9.409 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.498 9.915 -8.213 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.403 12.340 -8.044 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.288 11.072 -7.448 1.00 0.00 C ATOM 0 H TRP A 32 -4.414 11.090 -13.817 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.255 12.766 -11.581 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.339 11.702 -13.643 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.785 12.945 -12.539 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.575 9.262 -12.705 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.964 8.117 -10.480 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.821 13.436 -9.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.430 8.939 -7.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.244 13.229 -7.452 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.038 10.989 -6.401 1.00 0.00 H new ATOM 517 N TYR A 33 -3.847 14.345 -14.464 1.00 0.00 N ATOM 518 CA TYR A 33 -3.761 15.652 -15.095 1.00 0.00 C ATOM 519 C TYR A 33 -4.982 16.501 -14.754 1.00 0.00 C ATOM 520 O TYR A 33 -4.820 17.642 -14.322 1.00 0.00 O ATOM 521 CB TYR A 33 -3.619 15.455 -16.608 1.00 0.00 C ATOM 522 CG TYR A 33 -3.865 16.681 -17.467 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.170 17.884 -17.238 1.00 0.00 C ATOM 524 CD2 TYR A 33 -4.828 16.620 -18.489 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.443 19.018 -18.024 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.130 17.757 -19.256 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.431 18.964 -19.033 1.00 0.00 C ATOM 528 OH TYR A 33 -4.709 20.077 -19.769 1.00 0.00 O ATOM 0 H TYR A 33 -3.840 13.571 -15.128 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.889 16.188 -14.720 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.613 15.089 -16.813 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.313 14.674 -16.919 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.426 17.936 -16.457 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.341 15.690 -18.686 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.895 19.934 -17.856 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.896 17.709 -20.016 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.411 19.871 -20.421 1.00 0.00 H new ATOM 538 N TYR A 34 -6.191 15.955 -14.903 1.00 0.00 N ATOM 539 CA TYR A 34 -7.420 16.693 -14.659 1.00 0.00 C ATOM 540 C TYR A 34 -7.528 17.064 -13.178 1.00 0.00 C ATOM 541 O TYR A 34 -7.908 18.189 -12.859 1.00 0.00 O ATOM 542 CB TYR A 34 -8.637 15.854 -15.079 1.00 0.00 C ATOM 543 CG TYR A 34 -8.753 15.401 -16.532 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.018 15.996 -17.583 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.651 14.356 -16.825 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.200 15.558 -18.909 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.830 13.909 -18.146 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.107 14.514 -19.197 1.00 0.00 C ATOM 549 OH TYR A 34 -9.291 14.077 -20.476 1.00 0.00 O ATOM 0 H TYR A 34 -6.339 14.989 -15.196 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.400 17.607 -15.252 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.654 14.962 -14.453 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.532 16.429 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.316 16.788 -17.369 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.209 13.892 -16.025 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.643 16.023 -19.710 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.519 13.104 -18.356 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.951 13.353 -20.482 1.00 0.00 H new ATOM 559 N TYR A 35 -7.182 16.142 -12.272 1.00 0.00 N ATOM 560 CA TYR A 35 -7.256 16.388 -10.838 1.00 0.00 C ATOM 561 C TYR A 35 -6.292 17.508 -10.433 1.00 0.00 C ATOM 562 O TYR A 35 -6.684 18.437 -9.725 1.00 0.00 O ATOM 563 CB TYR A 35 -6.956 15.084 -10.090 1.00 0.00 C ATOM 564 CG TYR A 35 -7.066 15.201 -8.583 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.333 15.233 -7.968 1.00 0.00 C ATOM 566 CD2 TYR A 35 -5.903 15.271 -7.793 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.436 15.337 -6.570 1.00 0.00 C ATOM 568 CE2 TYR A 35 -5.997 15.382 -6.396 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.269 15.416 -5.776 1.00 0.00 C ATOM 570 OH TYR A 35 -7.382 15.513 -4.421 1.00 0.00 O ATOM 0 H TYR A 35 -6.845 15.211 -12.516 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.260 16.719 -10.572 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.643 14.312 -10.436 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.950 14.753 -10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.227 15.178 -8.572 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.932 15.239 -8.264 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.409 15.357 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.101 15.441 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.489 15.557 -4.021 1.00 0.00 H new ATOM 580 N LEU A 36 -5.045 17.461 -10.909 1.00 0.00 N ATOM 581 CA LEU A 36 -4.041 18.476 -10.609 1.00 0.00 C ATOM 582 C LEU A 36 -4.458 19.811 -11.212 1.00 0.00 C ATOM 583 O LEU A 36 -4.408 20.822 -10.517 1.00 0.00 O ATOM 584 CB LEU A 36 -2.663 18.033 -11.135 1.00 0.00 C ATOM 585 CG LEU A 36 -1.773 17.349 -10.077 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.473 16.250 -9.268 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.556 16.738 -10.776 1.00 0.00 C ATOM 0 H LEU A 36 -4.706 16.714 -11.515 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.964 18.598 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.808 17.347 -11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.138 18.905 -11.526 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.497 18.127 -9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.772 15.825 -8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.324 16.676 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.820 15.467 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.081 16.251 -10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.888 16.003 -11.509 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.007 17.524 -11.279 1.00 0.00 H new ATOM 599 N ASP A 37 -4.924 19.825 -12.461 1.00 0.00 N ATOM 600 CA ASP A 37 -5.391 21.042 -13.117 1.00 0.00 C ATOM 601 C ASP A 37 -6.556 21.688 -12.363 1.00 0.00 C ATOM 602 O ASP A 37 -6.653 22.915 -12.314 1.00 0.00 O ATOM 603 CB ASP A 37 -5.798 20.730 -14.562 1.00 0.00 C ATOM 604 CG ASP A 37 -6.371 21.968 -15.267 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.580 22.822 -15.723 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.611 22.067 -15.413 1.00 0.00 O ATOM 0 H ASP A 37 -4.988 18.991 -13.045 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.569 21.758 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.932 20.364 -15.114 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.540 19.931 -14.567 1.00 0.00 H new ATOM 611 N ASP A 38 -7.412 20.881 -11.731 1.00 0.00 N ATOM 612 CA ASP A 38 -8.529 21.375 -10.926 1.00 0.00 C ATOM 613 C ASP A 38 -8.091 21.839 -9.530 1.00 0.00 C ATOM 614 O ASP A 38 -8.779 22.652 -8.910 1.00 0.00 O ATOM 615 CB ASP A 38 -9.598 20.281 -10.800 1.00 0.00 C ATOM 616 CG ASP A 38 -10.819 20.768 -10.001 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.569 21.635 -10.505 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.071 20.250 -8.890 1.00 0.00 O ATOM 0 H ASP A 38 -7.349 19.864 -11.764 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.939 22.245 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.916 19.966 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.168 19.407 -10.311 1.00 0.00 H new ATOM 623 N THR A 39 -6.949 21.356 -9.033 1.00 0.00 N ATOM 624 CA THR A 39 -6.541 21.552 -7.644 1.00 0.00 C ATOM 625 C THR A 39 -5.509 22.675 -7.493 1.00 0.00 C ATOM 626 O THR A 39 -5.633 23.509 -6.594 1.00 0.00 O ATOM 627 CB THR A 39 -5.989 20.220 -7.104 1.00 0.00 C ATOM 628 OG1 THR A 39 -6.983 19.217 -7.168 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.504 20.349 -5.658 1.00 0.00 C ATOM 0 H THR A 39 -6.282 20.817 -9.586 1.00 0.00 H new ATOM 0 HA THR A 39 -7.411 21.860 -7.064 1.00 0.00 H new ATOM 0 HB THR A 39 -5.140 19.946 -7.730 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.944 18.773 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.122 19.387 -5.315 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.710 21.094 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.334 20.658 -5.022 1.00 0.00 H new ATOM 637 N LEU A 40 -4.478 22.679 -8.338 1.00 0.00 N ATOM 638 CA LEU A 40 -3.314 23.545 -8.189 1.00 0.00 C ATOM 639 C LEU A 40 -3.749 24.997 -8.418 1.00 0.00 C ATOM 640 O LEU A 40 -4.402 25.289 -9.421 1.00 0.00 O ATOM 641 CB LEU A 40 -2.237 23.138 -9.211 1.00 0.00 C ATOM 642 CG LEU A 40 -1.657 21.712 -9.068 1.00 0.00 C ATOM 643 CD1 LEU A 40 -0.937 21.332 -10.366 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.675 21.521 -7.916 1.00 0.00 C ATOM 0 H LEU A 40 -4.430 22.071 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.896 23.448 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.660 23.236 -10.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.414 23.850 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.515 21.074 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.525 20.327 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.644 21.359 -11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.129 22.039 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.327 20.488 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.176 22.189 -8.049 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.172 21.749 -6.973 1.00 0.00 H new ATOM 656 N GLU A 41 -3.376 25.919 -7.527 1.00 0.00 N ATOM 657 CA GLU A 41 -3.863 27.305 -7.532 1.00 0.00 C ATOM 658 C GLU A 41 -3.181 28.206 -8.586 1.00 0.00 C ATOM 659 O GLU A 41 -3.103 29.422 -8.398 1.00 0.00 O ATOM 660 CB GLU A 41 -3.782 27.901 -6.109 1.00 0.00 C ATOM 661 CG GLU A 41 -2.362 28.249 -5.609 1.00 0.00 C ATOM 662 CD GLU A 41 -2.351 29.019 -4.273 1.00 0.00 C ATOM 663 OE1 GLU A 41 -3.320 29.744 -3.943 1.00 0.00 O ATOM 664 OE2 GLU A 41 -1.325 28.948 -3.564 1.00 0.00 O ATOM 0 H GLU A 41 -2.719 25.724 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.908 27.273 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.390 28.805 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.229 27.192 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.791 27.328 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.855 28.846 -6.367 1.00 0.00 H new ATOM 671 N PHE A 42 -2.637 27.626 -9.662 1.00 0.00 N ATOM 672 CA PHE A 42 -1.781 28.315 -10.623 1.00 0.00 C ATOM 673 C PHE A 42 -2.406 29.616 -11.182 1.00 0.00 C ATOM 674 O PHE A 42 -3.636 29.705 -11.273 1.00 0.00 O ATOM 675 CB PHE A 42 -1.370 27.352 -11.749 1.00 0.00 C ATOM 676 CG PHE A 42 -2.502 26.851 -12.628 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.044 27.676 -13.635 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.967 25.531 -12.489 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.060 27.192 -14.477 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.984 25.048 -13.331 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.534 25.879 -14.322 1.00 0.00 C ATOM 0 H PHE A 42 -2.785 26.643 -9.890 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.888 28.633 -10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.637 27.852 -12.381 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.872 26.491 -11.303 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.677 28.684 -13.760 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.542 24.887 -11.734 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.476 27.830 -15.243 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.343 24.036 -13.216 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.320 25.509 -14.963 1.00 0.00 H new ATOM 691 N PRO A 43 -1.601 30.589 -11.664 1.00 0.00 N ATOM 692 CA PRO A 43 -0.142 30.663 -11.566 1.00 0.00 C ATOM 693 C PRO A 43 0.370 30.604 -10.119 1.00 0.00 C ATOM 694 O PRO A 43 -0.267 31.172 -9.228 1.00 0.00 O ATOM 695 CB PRO A 43 0.252 31.999 -12.217 1.00 0.00 C ATOM 696 CG PRO A 43 -0.903 32.297 -13.167 1.00 0.00 C ATOM 697 CD PRO A 43 -2.104 31.728 -12.417 1.00 0.00 C ATOM 0 HA PRO A 43 0.306 29.803 -12.064 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.371 32.787 -11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.199 31.920 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.010 33.366 -13.353 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.765 31.817 -14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.539 32.474 -11.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.888 31.423 -13.110 1.00 0.00 H new ATOM 705 N PHE A 44 1.494 29.920 -9.871 1.00 0.00 N ATOM 706 CA PHE A 44 2.118 29.881 -8.545 1.00 0.00 C ATOM 707 C PHE A 44 3.640 29.850 -8.695 1.00 0.00 C ATOM 708 O PHE A 44 4.157 29.375 -9.704 1.00 0.00 O ATOM 709 CB PHE A 44 1.576 28.712 -7.694 1.00 0.00 C ATOM 710 CG PHE A 44 1.959 27.296 -8.102 1.00 0.00 C ATOM 711 CD1 PHE A 44 3.260 26.824 -7.854 1.00 0.00 C ATOM 712 CD2 PHE A 44 1.012 26.419 -8.668 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.637 25.520 -8.207 1.00 0.00 C ATOM 714 CE2 PHE A 44 1.382 25.103 -9.005 1.00 0.00 C ATOM 715 CZ PHE A 44 2.694 24.652 -8.779 1.00 0.00 C ATOM 0 H PHE A 44 1.993 29.382 -10.580 1.00 0.00 H new ATOM 0 HA PHE A 44 1.854 30.787 -8.000 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.907 28.865 -6.667 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.488 28.777 -7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.981 27.476 -7.384 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.001 26.757 -8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.650 25.185 -8.039 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.653 24.436 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.975 23.643 -9.044 1.00 0.00 H new ATOM 725 N MET A 45 4.376 30.336 -7.696 1.00 0.00 N ATOM 726 CA MET A 45 5.832 30.415 -7.767 1.00 0.00 C ATOM 727 C MET A 45 6.433 29.076 -7.345 1.00 0.00 C ATOM 728 O MET A 45 5.926 28.438 -6.420 1.00 0.00 O ATOM 729 CB MET A 45 6.300 31.545 -6.837 1.00 0.00 C ATOM 730 CG MET A 45 7.810 31.774 -6.903 1.00 0.00 C ATOM 731 SD MET A 45 8.396 33.045 -5.756 1.00 0.00 S ATOM 732 CE MET A 45 10.161 32.915 -6.124 1.00 0.00 C ATOM 0 H MET A 45 3.982 30.683 -6.822 1.00 0.00 H new ATOM 0 HA MET A 45 6.159 30.629 -8.784 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.784 32.467 -7.104 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.017 31.307 -5.812 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.322 30.836 -6.687 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.083 32.059 -7.919 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.723 33.549 -5.439 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.482 31.880 -6.007 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.344 33.237 -7.149 1.00 0.00 H new ATOM 742 N GLY A 46 7.550 28.664 -7.944 1.00 0.00 N ATOM 743 CA GLY A 46 8.272 27.486 -7.505 1.00 0.00 C ATOM 744 C GLY A 46 9.732 27.525 -7.920 1.00 0.00 C ATOM 745 O GLY A 46 10.172 28.413 -8.652 1.00 0.00 O ATOM 0 H GLY A 46 7.972 29.139 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.206 27.404 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.801 26.596 -7.922 1.00 0.00 H new ATOM 749 N LYS A 47 10.495 26.555 -7.431 1.00 0.00 N ATOM 750 CA LYS A 47 11.852 26.303 -7.895 1.00 0.00 C ATOM 751 C LYS A 47 11.775 25.094 -8.817 1.00 0.00 C ATOM 752 O LYS A 47 11.270 24.043 -8.417 1.00 0.00 O ATOM 753 CB LYS A 47 12.795 26.017 -6.706 1.00 0.00 C ATOM 754 CG LYS A 47 14.283 26.149 -7.087 1.00 0.00 C ATOM 755 CD LYS A 47 14.755 27.615 -7.130 1.00 0.00 C ATOM 756 CE LYS A 47 14.984 28.227 -5.738 1.00 0.00 C ATOM 757 NZ LYS A 47 16.279 27.825 -5.131 1.00 0.00 N ATOM 0 H LYS A 47 10.187 25.918 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 47 12.253 27.172 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.569 26.707 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.607 25.011 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.889 25.597 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.447 25.689 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.682 27.673 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.014 28.211 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.947 29.314 -5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.171 27.927 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.277 28.064 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.412 26.800 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.056 28.329 -5.605 1.00 0.00 H new ATOM 771 N TRP A 48 12.253 25.235 -10.046 1.00 0.00 N ATOM 772 CA TRP A 48 12.454 24.119 -10.948 1.00 0.00 C ATOM 773 C TRP A 48 13.793 23.530 -10.513 1.00 0.00 C ATOM 774 O TRP A 48 14.838 24.148 -10.720 1.00 0.00 O ATOM 775 CB TRP A 48 12.454 24.624 -12.402 1.00 0.00 C ATOM 776 CG TRP A 48 12.585 23.605 -13.497 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.688 22.266 -13.345 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.604 23.829 -14.941 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.789 21.653 -14.573 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.747 22.570 -15.600 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.485 24.971 -15.763 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.785 22.454 -16.998 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.498 24.866 -17.168 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.656 23.611 -17.785 1.00 0.00 C ATOM 0 H TRP A 48 12.513 26.137 -10.444 1.00 0.00 H new ATOM 0 HA TRP A 48 11.670 23.363 -10.909 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.527 25.174 -12.565 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.271 25.337 -12.509 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.691 21.751 -12.396 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.883 20.646 -14.706 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.382 25.944 -15.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.912 21.488 -17.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.386 25.753 -17.774 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.678 23.537 -18.862 1.00 0.00 H new ATOM 795 N LYS A 49 13.769 22.373 -9.854 1.00 0.00 N ATOM 796 CA LYS A 49 14.947 21.614 -9.453 1.00 0.00 C ATOM 797 C LYS A 49 15.228 20.604 -10.565 1.00 0.00 C ATOM 798 O LYS A 49 15.055 19.400 -10.374 1.00 0.00 O ATOM 799 CB LYS A 49 14.703 20.925 -8.097 1.00 0.00 C ATOM 800 CG LYS A 49 14.489 21.906 -6.935 1.00 0.00 C ATOM 801 CD LYS A 49 14.927 21.336 -5.573 1.00 0.00 C ATOM 802 CE LYS A 49 14.458 19.903 -5.264 1.00 0.00 C ATOM 803 NZ LYS A 49 13.003 19.802 -5.000 1.00 0.00 N ATOM 0 H LYS A 49 12.896 21.924 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 49 15.812 22.263 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.830 20.278 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.554 20.284 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.045 22.822 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.434 22.177 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.016 21.360 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.557 21.996 -4.788 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.713 19.257 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.003 19.529 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.754 18.812 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.757 20.394 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.475 20.129 -5.834 1.00 0.00 H new ATOM 817 N LYS A 50 15.561 21.107 -11.757 1.00 0.00 N ATOM 818 CA LYS A 50 15.782 20.297 -12.952 1.00 0.00 C ATOM 819 C LYS A 50 16.800 19.206 -12.632 1.00 0.00 C ATOM 820 O LYS A 50 17.969 19.518 -12.424 1.00 0.00 O ATOM 821 CB LYS A 50 16.232 21.193 -14.117 1.00 0.00 C ATOM 822 CG LYS A 50 16.307 20.401 -15.432 1.00 0.00 C ATOM 823 CD LYS A 50 16.631 21.325 -16.614 1.00 0.00 C ATOM 824 CE LYS A 50 16.701 20.517 -17.919 1.00 0.00 C ATOM 825 NZ LYS A 50 16.967 21.375 -19.102 1.00 0.00 N ATOM 0 H LYS A 50 15.686 22.106 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 50 14.856 19.813 -13.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.536 22.024 -14.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.208 21.623 -13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.070 19.627 -15.351 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.358 19.895 -15.611 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.869 22.100 -16.698 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.581 21.830 -16.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.485 19.764 -17.836 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.761 19.984 -18.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.005 20.785 -19.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.206 22.077 -19.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.876 21.865 -18.978 1.00 0.00 H new ATOM 839 N LYS A 51 16.373 17.942 -12.582 1.00 0.00 N ATOM 840 CA LYS A 51 17.238 16.804 -12.268 1.00 0.00 C ATOM 841 C LYS A 51 17.958 16.305 -13.517 1.00 0.00 C ATOM 842 O LYS A 51 18.938 15.575 -13.416 1.00 0.00 O ATOM 843 CB LYS A 51 16.383 15.701 -11.617 1.00 0.00 C ATOM 844 CG LYS A 51 17.230 14.590 -10.969 1.00 0.00 C ATOM 845 CD LYS A 51 16.397 13.648 -10.082 1.00 0.00 C ATOM 846 CE LYS A 51 15.289 12.879 -10.823 1.00 0.00 C ATOM 847 NZ LYS A 51 15.816 11.871 -11.780 1.00 0.00 N ATOM 0 H LYS A 51 15.404 17.678 -12.761 1.00 0.00 H new ATOM 0 HA LYS A 51 18.014 17.110 -11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.738 16.147 -10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.731 15.261 -12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.718 14.008 -11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.019 15.044 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 51 17.067 12.929 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.942 14.232 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.652 12.379 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.661 13.589 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.022 11.387 -12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.402 12.345 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.393 11.174 -11.267 1.00 0.00 H new ATOM 861 N SER A 52 17.480 16.675 -14.703 1.00 0.00 N ATOM 862 CA SER A 52 18.031 16.197 -15.960 1.00 0.00 C ATOM 863 C SER A 52 19.346 16.894 -16.351 1.00 0.00 C ATOM 864 O SER A 52 19.921 16.550 -17.386 1.00 0.00 O ATOM 865 CB SER A 52 16.957 16.345 -17.039 1.00 0.00 C ATOM 866 OG SER A 52 15.716 15.822 -16.575 1.00 0.00 O ATOM 0 H SER A 52 16.696 17.318 -14.815 1.00 0.00 H new ATOM 0 HA SER A 52 18.302 15.147 -15.847 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.840 17.396 -17.304 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.265 15.820 -17.943 1.00 0.00 H new ATOM 0 HG SER A 52 15.040 15.909 -17.279 1.00 0.00 H new ATOM 872 N ARG A 53 19.845 17.870 -15.575 1.00 0.00 N ATOM 873 CA ARG A 53 21.154 18.472 -15.841 1.00 0.00 C ATOM 874 C ARG A 53 22.211 17.385 -15.645 1.00 0.00 C ATOM 875 O ARG A 53 22.122 16.611 -14.691 1.00 0.00 O ATOM 876 CB ARG A 53 21.373 19.683 -14.915 1.00 0.00 C ATOM 877 CG ARG A 53 22.635 20.517 -15.204 1.00 0.00 C ATOM 878 CD ARG A 53 22.574 21.362 -16.490 1.00 0.00 C ATOM 879 NE ARG A 53 22.893 20.605 -17.718 1.00 0.00 N ATOM 880 CZ ARG A 53 24.122 20.344 -18.188 1.00 0.00 C ATOM 881 NH1 ARG A 53 25.205 20.718 -17.511 1.00 0.00 N ATOM 882 NH2 ARG A 53 24.260 19.680 -19.331 1.00 0.00 N ATOM 0 H ARG A 53 19.362 18.255 -14.763 1.00 0.00 H new ATOM 0 HA ARG A 53 21.221 18.848 -16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 53 20.503 20.336 -14.987 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.421 19.328 -13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 53 22.815 21.181 -14.359 1.00 0.00 H new ATOM 0 HG3 ARG A 53 23.490 19.844 -15.269 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.575 21.788 -16.586 1.00 0.00 H new ATOM 0 HD3 ARG A 53 23.269 22.197 -16.398 1.00 0.00 H new ATOM 0 HE ARG A 53 22.105 20.248 -18.259 1.00 0.00 H new ATOM 0 HH11 ARG A 53 25.107 21.210 -16.623 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.133 20.513 -17.880 1.00 0.00 H new ATOM 0 HH21 ARG A 53 23.434 19.372 -19.845 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.191 19.478 -19.694 1.00 0.00 H new ATOM 896 N LYS A 54 23.202 17.304 -16.543 1.00 0.00 N ATOM 897 CA LYS A 54 24.164 16.191 -16.618 1.00 0.00 C ATOM 898 C LYS A 54 23.449 14.834 -16.507 1.00 0.00 C ATOM 899 O LYS A 54 23.937 13.917 -15.846 1.00 0.00 O ATOM 900 CB LYS A 54 25.304 16.361 -15.592 1.00 0.00 C ATOM 901 CG LYS A 54 26.059 17.694 -15.732 1.00 0.00 C ATOM 902 CD LYS A 54 27.214 17.837 -14.729 1.00 0.00 C ATOM 903 CE LYS A 54 26.706 17.924 -13.281 1.00 0.00 C ATOM 904 NZ LYS A 54 27.809 18.139 -12.310 1.00 0.00 N ATOM 0 H LYS A 54 23.362 18.021 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 54 24.637 16.212 -17.600 1.00 0.00 H new ATOM 0 HB2 LYS A 54 24.891 16.290 -14.586 1.00 0.00 H new ATOM 0 HB3 LYS A 54 26.010 15.538 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 54 26.452 17.778 -16.745 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.359 18.518 -15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 54 27.888 16.986 -14.827 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.792 18.730 -14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 54 25.988 18.740 -13.198 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.176 17.006 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 27.419 18.191 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 28.482 17.348 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 28.300 19.028 -12.533 1.00 0.00 H new ATOM 918 N THR A 55 22.268 14.725 -17.120 1.00 0.00 N ATOM 919 CA THR A 55 21.347 13.591 -17.095 1.00 0.00 C ATOM 920 C THR A 55 20.714 13.315 -15.716 1.00 0.00 C ATOM 921 O THR A 55 19.527 12.977 -15.688 1.00 0.00 O ATOM 922 CB THR A 55 22.015 12.341 -17.714 1.00 0.00 C ATOM 923 OG1 THR A 55 22.672 12.670 -18.930 1.00 0.00 O ATOM 924 CG2 THR A 55 21.010 11.232 -18.043 1.00 0.00 C ATOM 0 H THR A 55 21.904 15.488 -17.691 1.00 0.00 H new ATOM 0 HA THR A 55 20.496 13.867 -17.718 1.00 0.00 H new ATOM 0 HB THR A 55 22.718 11.986 -16.960 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.089 11.866 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 55 21.536 10.380 -18.474 1.00 0.00 H new ATOM 0 HG22 THR A 55 20.501 10.920 -17.131 1.00 0.00 H new ATOM 0 HG23 THR A 55 20.277 11.606 -18.758 1.00 0.00 H new ATOM 932 N SER A 56 21.424 13.499 -14.593 1.00 0.00 N ATOM 933 CA SER A 56 20.958 13.035 -13.285 1.00 0.00 C ATOM 934 C SER A 56 21.443 13.896 -12.098 1.00 0.00 C ATOM 935 O SER A 56 21.693 13.350 -11.019 1.00 0.00 O ATOM 936 CB SER A 56 21.404 11.566 -13.099 1.00 0.00 C ATOM 937 OG SER A 56 21.106 10.736 -14.216 1.00 0.00 O ATOM 0 H SER A 56 22.329 13.970 -14.569 1.00 0.00 H new ATOM 0 HA SER A 56 19.872 13.124 -13.280 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.478 11.541 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.919 11.157 -12.213 1.00 0.00 H new ATOM 0 HG SER A 56 21.414 9.823 -14.036 1.00 0.00 H new ATOM 943 N THR A 57 21.599 15.214 -12.252 1.00 0.00 N ATOM 944 CA THR A 57 21.983 16.109 -11.156 1.00 0.00 C ATOM 945 C THR A 57 21.002 17.284 -11.072 1.00 0.00 C ATOM 946 O THR A 57 20.521 17.772 -12.095 1.00 0.00 O ATOM 947 CB THR A 57 23.448 16.563 -11.308 1.00 0.00 C ATOM 948 OG1 THR A 57 23.688 17.229 -12.530 1.00 0.00 O ATOM 949 CG2 THR A 57 24.436 15.394 -11.215 1.00 0.00 C ATOM 0 H THR A 57 21.462 15.692 -13.143 1.00 0.00 H new ATOM 0 HA THR A 57 21.925 15.570 -10.210 1.00 0.00 H new ATOM 0 HB THR A 57 23.608 17.251 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.079 16.884 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 57 25.454 15.768 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 57 24.334 14.908 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 57 24.224 14.674 -12.006 1.00 0.00 H new ATOM 957 N ILE A 58 20.677 17.722 -9.850 1.00 0.00 N ATOM 958 CA ILE A 58 19.782 18.853 -9.630 1.00 0.00 C ATOM 959 C ILE A 58 20.502 20.146 -10.033 1.00 0.00 C ATOM 960 O ILE A 58 21.676 20.349 -9.711 1.00 0.00 O ATOM 961 CB ILE A 58 19.308 18.911 -8.152 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.594 17.620 -7.685 1.00 0.00 C ATOM 963 CG2 ILE A 58 18.400 20.133 -7.891 1.00 0.00 C ATOM 964 CD1 ILE A 58 17.226 17.357 -8.328 1.00 0.00 C ATOM 0 H ILE A 58 21.029 17.300 -8.991 1.00 0.00 H new ATOM 0 HA ILE A 58 18.891 18.733 -10.246 1.00 0.00 H new ATOM 0 HB ILE A 58 20.220 19.010 -7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.244 16.770 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.466 17.667 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.089 20.139 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.950 21.048 -8.111 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.520 20.076 -8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.811 16.430 -7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.552 18.182 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.342 17.272 -9.408 1.00 0.00 H new ATOM 976 N GLU A 59 19.760 21.042 -10.675 1.00 0.00 N ATOM 977 CA GLU A 59 20.121 22.418 -10.963 1.00 0.00 C ATOM 978 C GLU A 59 18.849 23.206 -10.637 1.00 0.00 C ATOM 979 O GLU A 59 17.745 22.731 -10.911 1.00 0.00 O ATOM 980 CB GLU A 59 20.556 22.562 -12.430 1.00 0.00 C ATOM 981 CG GLU A 59 20.916 24.014 -12.772 1.00 0.00 C ATOM 982 CD GLU A 59 21.482 24.149 -14.196 1.00 0.00 C ATOM 983 OE1 GLU A 59 20.694 24.197 -15.167 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.721 24.245 -14.349 1.00 0.00 O ATOM 0 H GLU A 59 18.832 20.808 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 59 20.970 22.780 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.415 21.919 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.753 22.222 -13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.029 24.640 -12.674 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.648 24.384 -12.055 1.00 0.00 H new ATOM 991 N GLU A 60 18.982 24.379 -10.018 1.00 0.00 N ATOM 992 CA GLU A 60 17.849 25.112 -9.466 1.00 0.00 C ATOM 993 C GLU A 60 17.621 26.395 -10.261 1.00 0.00 C ATOM 994 O GLU A 60 18.560 27.162 -10.496 1.00 0.00 O ATOM 995 CB GLU A 60 18.106 25.431 -7.986 1.00 0.00 C ATOM 996 CG GLU A 60 18.065 24.179 -7.102 1.00 0.00 C ATOM 997 CD GLU A 60 18.167 24.538 -5.610 1.00 0.00 C ATOM 998 OE1 GLU A 60 17.274 25.248 -5.095 1.00 0.00 O ATOM 999 OE2 GLU A 60 19.139 24.114 -4.943 1.00 0.00 O ATOM 0 H GLU A 60 19.879 24.846 -9.886 1.00 0.00 H new ATOM 0 HA GLU A 60 16.952 24.497 -9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.079 25.912 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.360 26.144 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.138 23.634 -7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.884 23.514 -7.374 1.00 0.00 H new ATOM 1006 N LYS A 61 16.366 26.644 -10.644 1.00 0.00 N ATOM 1007 CA LYS A 61 15.954 27.821 -11.404 1.00 0.00 C ATOM 1008 C LYS A 61 14.635 28.304 -10.812 1.00 0.00 C ATOM 1009 O LYS A 61 13.676 27.537 -10.759 1.00 0.00 O ATOM 1010 CB LYS A 61 15.806 27.395 -12.876 1.00 0.00 C ATOM 1011 CG LYS A 61 15.492 28.555 -13.834 1.00 0.00 C ATOM 1012 CD LYS A 61 15.063 28.067 -15.229 1.00 0.00 C ATOM 1013 CE LYS A 61 16.051 27.058 -15.841 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.678 26.662 -17.224 1.00 0.00 N ATOM 0 H LYS A 61 15.592 26.016 -10.428 1.00 0.00 H new ATOM 0 HA LYS A 61 16.677 28.636 -11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.728 26.911 -13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.013 26.651 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.699 29.170 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.372 29.191 -13.930 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.077 27.607 -15.160 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.968 28.925 -15.895 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.051 27.492 -15.848 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.094 26.169 -15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.418 26.049 -17.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.775 26.147 -17.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.580 27.513 -17.814 1.00 0.00 H new ATOM 1028 N THR A 62 14.577 29.533 -10.316 1.00 0.00 N ATOM 1029 CA THR A 62 13.359 30.088 -9.736 1.00 0.00 C ATOM 1030 C THR A 62 12.402 30.466 -10.871 1.00 0.00 C ATOM 1031 O THR A 62 12.812 31.115 -11.836 1.00 0.00 O ATOM 1032 CB THR A 62 13.741 31.283 -8.848 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.854 30.937 -8.038 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.590 31.670 -7.926 1.00 0.00 C ATOM 0 H THR A 62 15.371 30.173 -10.304 1.00 0.00 H new ATOM 0 HA THR A 62 12.843 29.364 -9.105 1.00 0.00 H new ATOM 0 HB THR A 62 13.981 32.122 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.098 31.700 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.887 32.518 -7.309 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.721 31.944 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.338 30.825 -7.285 1.00 0.00 H new ATOM 1042 N VAL A 63 11.132 30.064 -10.776 1.00 0.00 N ATOM 1043 CA VAL A 63 10.172 30.199 -11.859 1.00 0.00 C ATOM 1044 C VAL A 63 8.777 30.522 -11.319 1.00 0.00 C ATOM 1045 O VAL A 63 8.433 30.237 -10.172 1.00 0.00 O ATOM 1046 CB VAL A 63 10.127 28.912 -12.723 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.433 28.625 -13.477 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.755 27.648 -11.930 1.00 0.00 C ATOM 0 H VAL A 63 10.745 29.633 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 63 10.498 31.027 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 63 9.338 29.133 -13.442 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.324 27.710 -14.059 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.657 29.456 -14.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.247 28.506 -12.762 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.743 26.788 -12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.490 27.484 -11.142 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.768 27.775 -11.485 1.00 0.00 H new ATOM 1058 N GLU A 64 7.965 31.119 -12.178 1.00 0.00 N ATOM 1059 CA GLU A 64 6.538 31.317 -11.985 1.00 0.00 C ATOM 1060 C GLU A 64 5.909 30.227 -12.851 1.00 0.00 C ATOM 1061 O GLU A 64 6.131 30.232 -14.062 1.00 0.00 O ATOM 1062 CB GLU A 64 6.146 32.724 -12.476 1.00 0.00 C ATOM 1063 CG GLU A 64 4.664 33.068 -12.265 1.00 0.00 C ATOM 1064 CD GLU A 64 4.378 33.577 -10.841 1.00 0.00 C ATOM 1065 OE1 GLU A 64 4.128 32.752 -9.938 1.00 0.00 O ATOM 1066 OE2 GLU A 64 4.381 34.811 -10.626 1.00 0.00 O ATOM 0 H GLU A 64 8.297 31.494 -13.066 1.00 0.00 H new ATOM 0 HA GLU A 64 6.216 31.252 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.757 33.462 -11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.380 32.806 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.364 33.828 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.057 32.184 -12.461 1.00 0.00 H new ATOM 1073 N VAL A 65 5.199 29.256 -12.277 1.00 0.00 N ATOM 1074 CA VAL A 65 4.410 28.336 -13.092 1.00 0.00 C ATOM 1075 C VAL A 65 3.173 29.105 -13.541 1.00 0.00 C ATOM 1076 O VAL A 65 2.551 29.779 -12.720 1.00 0.00 O ATOM 1077 CB VAL A 65 4.081 26.989 -12.402 1.00 0.00 C ATOM 1078 CG1 VAL A 65 5.221 26.480 -11.501 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.746 26.903 -11.652 1.00 0.00 C ATOM 0 H VAL A 65 5.154 29.088 -11.272 1.00 0.00 H new ATOM 0 HA VAL A 65 4.997 28.015 -13.952 1.00 0.00 H new ATOM 0 HB VAL A 65 3.968 26.328 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.930 25.533 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.120 26.334 -12.099 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.421 27.212 -10.719 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.637 25.910 -11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.725 27.652 -10.860 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.926 27.086 -12.347 1.00 0.00 H new ATOM 1089 N LEU A 66 2.805 29.011 -14.817 1.00 0.00 N ATOM 1090 CA LEU A 66 1.658 29.723 -15.377 1.00 0.00 C ATOM 1091 C LEU A 66 0.435 28.808 -15.482 1.00 0.00 C ATOM 1092 O LEU A 66 -0.685 29.312 -15.559 1.00 0.00 O ATOM 1093 CB LEU A 66 2.024 30.329 -16.747 1.00 0.00 C ATOM 1094 CG LEU A 66 2.597 31.759 -16.650 1.00 0.00 C ATOM 1095 CD1 LEU A 66 3.873 31.850 -15.805 1.00 0.00 C ATOM 1096 CD2 LEU A 66 2.897 32.294 -18.054 1.00 0.00 C ATOM 0 H LEU A 66 3.299 28.433 -15.497 1.00 0.00 H new ATOM 0 HA LEU A 66 1.395 30.537 -14.702 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.754 29.685 -17.238 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.136 30.343 -17.379 1.00 0.00 H new ATOM 0 HG LEU A 66 1.835 32.360 -16.153 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.220 32.883 -15.780 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.662 31.514 -14.790 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.645 31.218 -16.243 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.301 33.304 -17.980 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.625 31.646 -18.542 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.978 32.313 -18.640 1.00 0.00 H new ATOM 1108 N GLY A 67 0.620 27.486 -15.459 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.449 26.512 -15.519 1.00 0.00 C ATOM 1110 C GLY A 67 0.121 25.148 -15.859 1.00 0.00 C ATOM 1111 O GLY A 67 1.319 25.010 -16.110 1.00 0.00 O ATOM 0 H GLY A 67 1.546 27.062 -15.396 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.971 26.471 -14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.182 26.808 -16.269 1.00 0.00 H new ATOM 1115 N MET A 68 -0.737 24.135 -15.858 1.00 0.00 N ATOM 1116 CA MET A 68 -0.384 22.816 -16.374 1.00 0.00 C ATOM 1117 C MET A 68 -0.105 22.928 -17.877 1.00 0.00 C ATOM 1118 O MET A 68 -0.687 23.768 -18.571 1.00 0.00 O ATOM 1119 CB MET A 68 -1.504 21.797 -16.107 1.00 0.00 C ATOM 1120 CG MET A 68 -1.715 21.485 -14.619 1.00 0.00 C ATOM 1121 SD MET A 68 -0.357 20.603 -13.794 1.00 0.00 S ATOM 1122 CE MET A 68 -0.544 18.942 -14.499 1.00 0.00 C ATOM 0 H MET A 68 -1.691 24.202 -15.502 1.00 0.00 H new ATOM 0 HA MET A 68 0.509 22.460 -15.860 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.436 22.178 -16.525 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.273 20.871 -16.634 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.887 22.423 -14.092 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.623 20.891 -14.517 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.199 18.275 -14.061 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.543 18.565 -14.282 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.400 18.987 -15.578 1.00 0.00 H new ATOM 1132 N ALA A 69 0.780 22.066 -18.377 1.00 0.00 N ATOM 1133 CA ALA A 69 1.052 21.918 -19.803 1.00 0.00 C ATOM 1134 C ALA A 69 -0.202 21.420 -20.550 1.00 0.00 C ATOM 1135 O ALA A 69 -1.124 20.902 -19.910 1.00 0.00 O ATOM 1136 CB ALA A 69 2.206 20.925 -19.955 1.00 0.00 C ATOM 0 H ALA A 69 1.336 21.442 -17.792 1.00 0.00 H new ATOM 0 HA ALA A 69 1.323 22.880 -20.238 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.435 20.792 -21.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.086 21.308 -19.439 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.920 19.966 -19.522 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.243 21.523 -21.894 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.289 20.892 -22.688 1.00 0.00 C ATOM 1144 C PRO A 70 -1.289 19.371 -22.488 1.00 0.00 C ATOM 1145 O PRO A 70 -0.251 18.752 -22.227 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.021 21.294 -24.143 1.00 0.00 C ATOM 1147 CG PRO A 70 0.465 21.645 -24.157 1.00 0.00 C ATOM 1148 CD PRO A 70 0.690 22.228 -22.763 1.00 0.00 C ATOM 0 HA PRO A 70 -2.282 21.222 -22.383 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.246 20.479 -24.831 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.635 22.143 -24.443 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.086 20.767 -24.333 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.703 22.365 -24.940 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.719 22.080 -22.437 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.503 23.302 -22.751 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.468 18.769 -22.653 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.739 17.376 -22.310 1.00 0.00 C ATOM 1158 C ASP A 71 -1.813 16.373 -22.994 1.00 0.00 C ATOM 1159 O ASP A 71 -1.551 15.322 -22.417 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.199 17.012 -22.607 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.455 16.666 -24.086 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.526 17.597 -24.919 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -4.629 15.473 -24.418 1.00 0.00 O ATOM 0 H ASP A 71 -3.280 19.251 -23.039 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.544 17.303 -21.240 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.487 16.162 -21.988 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.839 17.847 -22.321 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.285 16.687 -24.182 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.405 15.766 -24.903 1.00 0.00 C ATOM 1170 C ASP A 72 0.866 15.478 -24.107 1.00 0.00 C ATOM 1171 O ASP A 72 1.365 14.353 -24.104 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.034 16.309 -26.287 1.00 0.00 C ATOM 1173 CG ASP A 72 0.807 15.278 -27.061 1.00 0.00 C ATOM 1174 OD1 ASP A 72 0.216 14.377 -27.699 1.00 0.00 O ATOM 1175 OD2 ASP A 72 2.055 15.366 -27.053 1.00 0.00 O ATOM 0 H ASP A 72 -1.452 17.571 -24.663 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.959 14.836 -25.032 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.939 16.543 -26.847 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.525 17.239 -26.182 1.00 0.00 H new ATOM 1180 N GLU A 73 1.380 16.478 -23.391 1.00 0.00 N ATOM 1181 CA GLU A 73 2.544 16.307 -22.527 1.00 0.00 C ATOM 1182 C GLU A 73 2.119 15.576 -21.259 1.00 0.00 C ATOM 1183 O GLU A 73 2.813 14.665 -20.802 1.00 0.00 O ATOM 1184 CB GLU A 73 3.184 17.668 -22.205 1.00 0.00 C ATOM 1185 CG GLU A 73 3.819 18.352 -23.427 1.00 0.00 C ATOM 1186 CD GLU A 73 5.078 17.621 -23.936 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.956 16.520 -24.521 1.00 0.00 O ATOM 1188 OE2 GLU A 73 6.197 18.160 -23.779 1.00 0.00 O ATOM 0 H GLU A 73 1.002 17.425 -23.394 1.00 0.00 H new ATOM 0 HA GLU A 73 3.298 15.710 -23.040 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.425 18.327 -21.784 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.947 17.530 -21.439 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.085 18.403 -24.231 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.080 19.378 -23.168 1.00 0.00 H new ATOM 1195 N CYS A 74 0.934 15.902 -20.742 1.00 0.00 N ATOM 1196 CA CYS A 74 0.390 15.307 -19.532 1.00 0.00 C ATOM 1197 C CYS A 74 -0.042 13.839 -19.688 1.00 0.00 C ATOM 1198 O CYS A 74 -0.605 13.269 -18.756 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.722 16.196 -18.979 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.072 17.867 -18.681 1.00 0.00 S ATOM 0 H CYS A 74 0.319 16.599 -21.163 1.00 0.00 H new ATOM 0 HA CYS A 74 1.199 15.260 -18.803 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.553 16.238 -19.684 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.111 15.775 -18.052 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.010 18.614 -18.178 1.00 0.00 H new ATOM 1206 N LEU A 75 0.216 13.219 -20.843 1.00 0.00 N ATOM 1207 CA LEU A 75 0.071 11.781 -21.084 1.00 0.00 C ATOM 1208 C LEU A 75 1.382 11.032 -20.800 1.00 0.00 C ATOM 1209 O LEU A 75 1.387 9.800 -20.804 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.307 11.532 -22.558 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.776 11.831 -22.901 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.943 11.899 -24.421 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.714 10.752 -22.345 1.00 0.00 C ATOM 0 H LEU A 75 0.544 13.724 -21.666 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.708 11.415 -20.416 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.333 12.146 -23.192 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.095 10.491 -22.803 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.038 12.786 -22.445 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.984 12.111 -24.664 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.309 12.690 -24.822 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.655 10.945 -24.862 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.744 10.995 -22.606 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.450 9.785 -22.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.615 10.708 -21.260 1.00 0.00 H new ATOM 1225 N LYS A 76 2.490 11.747 -20.571 1.00 0.00 N ATOM 1226 CA LYS A 76 3.838 11.172 -20.513 1.00 0.00 C ATOM 1227 C LYS A 76 4.439 11.317 -19.116 1.00 0.00 C ATOM 1228 O LYS A 76 5.073 10.390 -18.614 1.00 0.00 O ATOM 1229 CB LYS A 76 4.753 11.861 -21.550 1.00 0.00 C ATOM 1230 CG LYS A 76 4.169 11.999 -22.970 1.00 0.00 C ATOM 1231 CD LYS A 76 5.221 12.574 -23.936 1.00 0.00 C ATOM 1232 CE LYS A 76 4.656 12.901 -25.329 1.00 0.00 C ATOM 1233 NZ LYS A 76 3.836 14.133 -25.328 1.00 0.00 N ATOM 0 H LYS A 76 2.474 12.755 -20.419 1.00 0.00 H new ATOM 0 HA LYS A 76 3.762 10.110 -20.745 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.004 12.856 -21.182 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.686 11.300 -21.614 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.833 11.025 -23.327 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.294 12.649 -22.948 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.645 13.479 -23.502 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.036 11.858 -24.041 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.479 13.016 -26.035 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.051 12.065 -25.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.477 14.312 -26.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.035 14.016 -24.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.419 14.938 -25.020 1.00 0.00 H new ATOM 1247 N ASP A 77 4.224 12.468 -18.488 1.00 0.00 N ATOM 1248 CA ASP A 77 4.630 12.837 -17.129 1.00 0.00 C ATOM 1249 C ASP A 77 3.691 13.988 -16.745 1.00 0.00 C ATOM 1250 O ASP A 77 2.922 14.439 -17.598 1.00 0.00 O ATOM 1251 CB ASP A 77 6.102 13.299 -17.119 1.00 0.00 C ATOM 1252 CG ASP A 77 6.790 13.163 -15.751 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.339 13.795 -14.771 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.816 12.449 -15.677 1.00 0.00 O ATOM 0 H ASP A 77 3.723 13.228 -18.948 1.00 0.00 H new ATOM 0 HA ASP A 77 4.562 12.004 -16.429 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.659 12.718 -17.854 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.147 14.341 -17.435 1.00 0.00 H new ATOM 1259 N MET A 78 3.698 14.486 -15.511 1.00 0.00 N ATOM 1260 CA MET A 78 2.975 15.725 -15.219 1.00 0.00 C ATOM 1261 C MET A 78 3.897 16.878 -15.618 1.00 0.00 C ATOM 1262 O MET A 78 5.086 16.853 -15.294 1.00 0.00 O ATOM 1263 CB MET A 78 2.570 15.804 -13.742 1.00 0.00 C ATOM 1264 CG MET A 78 1.429 14.843 -13.384 1.00 0.00 C ATOM 1265 SD MET A 78 -0.142 15.100 -14.264 1.00 0.00 S ATOM 1266 CE MET A 78 -0.074 13.716 -15.435 1.00 0.00 C ATOM 0 H MET A 78 4.181 14.067 -14.716 1.00 0.00 H new ATOM 0 HA MET A 78 2.043 15.771 -15.782 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.437 15.579 -13.120 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.266 16.824 -13.508 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.766 13.824 -13.575 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.239 14.920 -12.313 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.666 13.957 -16.318 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.961 13.538 -15.729 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.476 12.820 -14.963 1.00 0.00 H new ATOM 1276 N TYR A 79 3.371 17.908 -16.284 1.00 0.00 N ATOM 1277 CA TYR A 79 4.156 19.032 -16.790 1.00 0.00 C ATOM 1278 C TYR A 79 3.407 20.340 -16.539 1.00 0.00 C ATOM 1279 O TYR A 79 2.177 20.362 -16.453 1.00 0.00 O ATOM 1280 CB TYR A 79 4.408 18.877 -18.299 1.00 0.00 C ATOM 1281 CG TYR A 79 5.442 17.864 -18.745 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.782 18.258 -18.922 1.00 0.00 C ATOM 1283 CD2 TYR A 79 5.041 16.569 -19.115 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.719 17.360 -19.462 1.00 0.00 C ATOM 1285 CE2 TYR A 79 5.968 15.671 -19.669 1.00 0.00 C ATOM 1286 CZ TYR A 79 7.318 16.057 -19.835 1.00 0.00 C ATOM 1287 OH TYR A 79 8.236 15.194 -20.354 1.00 0.00 O ATOM 0 H TYR A 79 2.375 17.984 -16.489 1.00 0.00 H new ATOM 0 HA TYR A 79 5.113 19.047 -16.268 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.460 18.618 -18.771 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.703 19.851 -18.690 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.091 19.254 -18.642 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.015 16.263 -18.973 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.747 17.666 -19.592 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.649 14.684 -19.969 1.00 0.00 H new ATOM 0 HH TYR A 79 7.802 14.339 -20.558 1.00 0.00 H new ATOM 1297 N VAL A 80 4.160 21.435 -16.483 1.00 0.00 N ATOM 1298 CA VAL A 80 3.680 22.772 -16.178 1.00 0.00 C ATOM 1299 C VAL A 80 4.418 23.749 -17.083 1.00 0.00 C ATOM 1300 O VAL A 80 5.604 23.570 -17.364 1.00 0.00 O ATOM 1301 CB VAL A 80 3.891 23.112 -14.682 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.770 22.528 -13.816 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.241 22.637 -14.113 1.00 0.00 C ATOM 0 H VAL A 80 5.165 21.409 -16.657 1.00 0.00 H new ATOM 0 HA VAL A 80 2.607 22.838 -16.360 1.00 0.00 H new ATOM 0 HB VAL A 80 3.881 24.201 -14.644 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.947 22.784 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.812 22.940 -14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.752 21.444 -13.926 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.310 22.914 -13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.315 21.554 -14.209 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.054 23.107 -14.666 1.00 0.00 H new ATOM 1313 N GLU A 81 3.715 24.772 -17.554 1.00 0.00 N ATOM 1314 CA GLU A 81 4.324 25.895 -18.246 1.00 0.00 C ATOM 1315 C GLU A 81 4.947 26.781 -17.168 1.00 0.00 C ATOM 1316 O GLU A 81 4.300 27.037 -16.148 1.00 0.00 O ATOM 1317 CB GLU A 81 3.271 26.678 -19.043 1.00 0.00 C ATOM 1318 CG GLU A 81 2.657 25.841 -20.173 1.00 0.00 C ATOM 1319 CD GLU A 81 1.745 26.693 -21.075 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.599 27.004 -20.679 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.160 27.046 -22.203 1.00 0.00 O ATOM 0 H GLU A 81 2.701 24.844 -17.465 1.00 0.00 H new ATOM 0 HA GLU A 81 5.075 25.554 -18.959 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.481 27.010 -18.369 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.728 27.573 -19.464 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.452 25.398 -20.773 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.083 25.018 -19.747 1.00 0.00 H new ATOM 1328 N VAL A 82 6.176 27.255 -17.368 1.00 0.00 N ATOM 1329 CA VAL A 82 6.910 28.023 -16.368 1.00 0.00 C ATOM 1330 C VAL A 82 7.651 29.186 -17.028 1.00 0.00 C ATOM 1331 O VAL A 82 8.103 29.064 -18.167 1.00 0.00 O ATOM 1332 CB VAL A 82 7.858 27.111 -15.553 1.00 0.00 C ATOM 1333 CG1 VAL A 82 7.142 25.920 -14.900 1.00 0.00 C ATOM 1334 CG2 VAL A 82 9.050 26.564 -16.354 1.00 0.00 C ATOM 0 H VAL A 82 6.693 27.115 -18.236 1.00 0.00 H new ATOM 0 HA VAL A 82 6.198 28.448 -15.661 1.00 0.00 H new ATOM 0 HB VAL A 82 8.234 27.783 -14.781 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.864 25.322 -14.344 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.374 26.286 -14.219 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.679 25.306 -15.672 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.664 25.935 -15.709 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.684 25.974 -17.194 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.649 27.394 -16.728 1.00 0.00 H new ATOM 1344 N ALA A 83 7.808 30.301 -16.316 1.00 0.00 N ATOM 1345 CA ALA A 83 8.504 31.494 -16.774 1.00 0.00 C ATOM 1346 C ALA A 83 9.626 31.789 -15.783 1.00 0.00 C ATOM 1347 O ALA A 83 9.424 31.746 -14.569 1.00 0.00 O ATOM 1348 CB ALA A 83 7.518 32.662 -16.878 1.00 0.00 C ATOM 0 H ALA A 83 7.439 30.398 -15.370 1.00 0.00 H new ATOM 0 HA ALA A 83 8.931 31.344 -17.765 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.044 33.553 -17.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.729 32.410 -17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.078 32.855 -15.900 1.00 0.00 H new ATOM 1354 N ASP A 84 10.821 32.049 -16.305 1.00 0.00 N ATOM 1355 CA ASP A 84 12.048 32.210 -15.524 1.00 0.00 C ATOM 1356 C ASP A 84 12.134 33.622 -14.945 1.00 0.00 C ATOM 1357 O ASP A 84 12.642 34.545 -15.587 1.00 0.00 O ATOM 1358 CB ASP A 84 13.252 31.864 -16.408 1.00 0.00 C ATOM 1359 CG ASP A 84 14.593 32.298 -15.798 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.873 31.962 -14.627 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.386 32.931 -16.528 1.00 0.00 O ATOM 0 H ASP A 84 10.969 32.157 -17.308 1.00 0.00 H new ATOM 0 HA ASP A 84 12.044 31.527 -14.675 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.270 30.788 -16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.130 32.342 -17.380 1.00 0.00 H new ATOM 1366 N ILE A 85 11.576 33.783 -13.741 1.00 0.00 N ATOM 1367 CA ILE A 85 11.537 35.032 -12.981 1.00 0.00 C ATOM 1368 C ILE A 85 12.934 35.668 -12.954 1.00 0.00 C ATOM 1369 O ILE A 85 13.910 35.028 -12.551 1.00 0.00 O ATOM 1370 CB ILE A 85 11.013 34.788 -11.543 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.609 34.141 -11.522 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.978 36.102 -10.735 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.167 33.685 -10.123 1.00 0.00 C ATOM 0 H ILE A 85 11.121 33.013 -13.251 1.00 0.00 H new ATOM 0 HA ILE A 85 10.848 35.720 -13.471 1.00 0.00 H new ATOM 0 HB ILE A 85 11.713 34.091 -11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.882 34.855 -11.909 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.603 33.283 -12.194 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.606 35.901 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.983 36.518 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.319 36.816 -11.230 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.173 33.241 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.872 32.947 -9.741 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.141 34.543 -9.452 1.00 0.00 H new ATOM 1385 N GLY A 86 13.014 36.947 -13.326 1.00 0.00 N ATOM 1386 CA GLY A 86 14.207 37.768 -13.160 1.00 0.00 C ATOM 1387 C GLY A 86 15.383 37.366 -14.055 1.00 0.00 C ATOM 1388 O GLY A 86 16.492 37.859 -13.835 1.00 0.00 O ATOM 0 H GLY A 86 12.237 37.446 -13.758 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.949 38.807 -13.365 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.525 37.718 -12.119 1.00 0.00 H new ATOM 1392 N GLY A 87 15.168 36.505 -15.054 1.00 0.00 N ATOM 1393 CA GLY A 87 16.178 36.122 -16.031 1.00 0.00 C ATOM 1394 C GLY A 87 15.606 36.365 -17.417 1.00 0.00 C ATOM 1395 O GLY A 87 15.668 37.494 -17.910 1.00 0.00 O ATOM 0 H GLY A 87 14.268 36.049 -15.205 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.088 36.704 -15.887 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.448 35.073 -15.909 1.00 0.00 H new ATOM 1399 N LYS A 88 14.994 35.344 -18.027 1.00 0.00 N ATOM 1400 CA LYS A 88 14.230 35.533 -19.265 1.00 0.00 C ATOM 1401 C LYS A 88 13.044 36.458 -18.991 1.00 0.00 C ATOM 1402 O LYS A 88 12.795 37.365 -19.781 1.00 0.00 O ATOM 1403 CB LYS A 88 13.765 34.188 -19.851 1.00 0.00 C ATOM 1404 CG LYS A 88 14.907 33.203 -20.165 1.00 0.00 C ATOM 1405 CD LYS A 88 15.876 33.720 -21.243 1.00 0.00 C ATOM 1406 CE LYS A 88 16.902 32.655 -21.662 1.00 0.00 C ATOM 1407 NZ LYS A 88 17.879 32.333 -20.590 1.00 0.00 N ATOM 0 H LYS A 88 15.012 34.383 -17.686 1.00 0.00 H new ATOM 0 HA LYS A 88 14.877 35.995 -20.011 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.078 33.717 -19.148 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.204 34.378 -20.766 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.465 33.001 -19.251 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.480 32.255 -20.494 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.308 34.038 -22.117 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.400 34.598 -20.867 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.375 31.745 -21.950 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.440 33.005 -22.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.544 31.610 -20.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.405 33.192 -20.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.373 31.972 -19.756 1.00 0.00 H new ATOM 1421 N ASP A 89 12.367 36.248 -17.855 1.00 0.00 N ATOM 1422 CA ASP A 89 11.328 37.057 -17.200 1.00 0.00 C ATOM 1423 C ASP A 89 10.062 37.393 -18.006 1.00 0.00 C ATOM 1424 O ASP A 89 9.040 37.741 -17.415 1.00 0.00 O ATOM 1425 CB ASP A 89 11.964 38.320 -16.602 1.00 0.00 C ATOM 1426 CG ASP A 89 11.036 38.989 -15.576 1.00 0.00 C ATOM 1427 OD1 ASP A 89 10.818 38.391 -14.498 1.00 0.00 O ATOM 1428 OD2 ASP A 89 10.585 40.134 -15.811 1.00 0.00 O ATOM 0 H ASP A 89 12.556 35.408 -17.308 1.00 0.00 H new ATOM 0 HA ASP A 89 10.931 36.401 -16.425 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.909 38.061 -16.124 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.193 39.026 -17.400 1.00 0.00 H new ATOM 1433 N ASP A 90 10.084 37.253 -19.332 1.00 0.00 N ATOM 1434 CA ASP A 90 9.037 37.702 -20.256 1.00 0.00 C ATOM 1435 C ASP A 90 8.829 36.677 -21.383 1.00 0.00 C ATOM 1436 O ASP A 90 8.280 36.981 -22.442 1.00 0.00 O ATOM 1437 CB ASP A 90 9.427 39.085 -20.800 1.00 0.00 C ATOM 1438 CG ASP A 90 8.312 39.742 -21.635 1.00 0.00 C ATOM 1439 OD1 ASP A 90 7.160 39.845 -21.155 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.595 40.227 -22.755 1.00 0.00 O ATOM 0 H ASP A 90 10.864 36.805 -19.814 1.00 0.00 H new ATOM 0 HA ASP A 90 8.084 37.785 -19.733 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.681 39.739 -19.966 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.323 38.988 -21.413 1.00 0.00 H new ATOM 1445 N ASP A 91 9.279 35.440 -21.159 1.00 0.00 N ATOM 1446 CA ASP A 91 9.070 34.292 -22.041 1.00 0.00 C ATOM 1447 C ASP A 91 8.817 33.057 -21.172 1.00 0.00 C ATOM 1448 O ASP A 91 9.119 33.069 -19.974 1.00 0.00 O ATOM 1449 CB ASP A 91 10.274 34.100 -22.978 1.00 0.00 C ATOM 1450 CG ASP A 91 10.015 33.062 -24.089 1.00 0.00 C ATOM 1451 OD1 ASP A 91 8.841 32.801 -24.437 1.00 0.00 O ATOM 1452 OD2 ASP A 91 10.998 32.537 -24.657 1.00 0.00 O ATOM 0 H ASP A 91 9.819 35.203 -20.327 1.00 0.00 H new ATOM 0 HA ASP A 91 8.203 34.459 -22.680 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.528 35.057 -23.435 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.138 33.788 -22.391 1.00 0.00 H new ATOM 1457 N VAL A 92 8.265 31.998 -21.761 1.00 0.00 N ATOM 1458 CA VAL A 92 7.755 30.834 -21.052 1.00 0.00 C ATOM 1459 C VAL A 92 8.264 29.544 -21.712 1.00 0.00 C ATOM 1460 O VAL A 92 8.542 29.496 -22.915 1.00 0.00 O ATOM 1461 CB VAL A 92 6.211 30.958 -21.002 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.545 30.853 -22.385 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.540 29.963 -20.046 1.00 0.00 C ATOM 0 H VAL A 92 8.159 31.927 -22.773 1.00 0.00 H new ATOM 0 HA VAL A 92 8.120 30.788 -20.026 1.00 0.00 H new ATOM 0 HB VAL A 92 6.052 31.964 -20.613 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.465 30.948 -22.277 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.917 31.650 -23.029 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.781 29.887 -22.830 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.460 30.111 -20.066 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.772 28.945 -20.359 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.910 30.125 -19.034 1.00 0.00 H new ATOM 1473 N TYR A 93 8.380 28.506 -20.890 1.00 0.00 N ATOM 1474 CA TYR A 93 8.947 27.197 -21.182 1.00 0.00 C ATOM 1475 C TYR A 93 8.048 26.140 -20.524 1.00 0.00 C ATOM 1476 O TYR A 93 7.001 26.480 -19.970 1.00 0.00 O ATOM 1477 CB TYR A 93 10.388 27.152 -20.633 1.00 0.00 C ATOM 1478 CG TYR A 93 11.316 28.197 -21.232 1.00 0.00 C ATOM 1479 CD1 TYR A 93 11.388 29.489 -20.671 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.080 27.888 -22.374 1.00 0.00 C ATOM 1481 CE1 TYR A 93 12.189 30.479 -21.267 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.903 28.864 -22.961 1.00 0.00 C ATOM 1483 CZ TYR A 93 12.954 30.169 -22.418 1.00 0.00 C ATOM 1484 OH TYR A 93 13.740 31.109 -23.014 1.00 0.00 O ATOM 0 H TYR A 93 8.053 28.565 -19.926 1.00 0.00 H new ATOM 0 HA TYR A 93 8.991 27.000 -22.253 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.357 27.287 -19.552 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.805 26.162 -20.819 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.825 29.719 -19.779 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.033 26.897 -22.800 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.221 31.474 -20.848 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.498 28.617 -23.828 1.00 0.00 H new ATOM 0 HH TYR A 93 14.191 30.714 -23.789 1.00 0.00 H new ATOM 1494 N THR A 94 8.454 24.871 -20.544 1.00 0.00 N ATOM 1495 CA THR A 94 7.723 23.784 -19.894 1.00 0.00 C ATOM 1496 C THR A 94 8.708 23.000 -19.025 1.00 0.00 C ATOM 1497 O THR A 94 9.845 22.754 -19.437 1.00 0.00 O ATOM 1498 CB THR A 94 7.011 22.898 -20.940 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.468 23.669 -22.000 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.855 22.106 -20.322 1.00 0.00 C ATOM 0 H THR A 94 9.306 24.566 -21.015 1.00 0.00 H new ATOM 0 HA THR A 94 6.934 24.180 -19.254 1.00 0.00 H new ATOM 0 HB THR A 94 7.776 22.220 -21.317 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.027 23.076 -22.643 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.380 21.496 -21.090 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.238 21.461 -19.531 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.123 22.797 -19.904 1.00 0.00 H new ATOM 1508 N ALA A 95 8.259 22.610 -17.833 1.00 0.00 N ATOM 1509 CA ALA A 95 9.012 21.842 -16.855 1.00 0.00 C ATOM 1510 C ALA A 95 8.156 20.656 -16.425 1.00 0.00 C ATOM 1511 O ALA A 95 6.926 20.730 -16.450 1.00 0.00 O ATOM 1512 CB ALA A 95 9.332 22.732 -15.648 1.00 0.00 C ATOM 0 H ALA A 95 7.317 22.833 -17.513 1.00 0.00 H new ATOM 0 HA ALA A 95 9.950 21.486 -17.282 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.897 22.159 -14.913 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.924 23.588 -15.973 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.403 23.083 -15.199 1.00 0.00 H new ATOM 1518 N LYS A 96 8.793 19.560 -16.011 1.00 0.00 N ATOM 1519 CA LYS A 96 8.087 18.460 -15.382 1.00 0.00 C ATOM 1520 C LYS A 96 7.654 18.950 -14.009 1.00 0.00 C ATOM 1521 O LYS A 96 8.466 19.519 -13.277 1.00 0.00 O ATOM 1522 CB LYS A 96 9.019 17.249 -15.237 1.00 0.00 C ATOM 1523 CG LYS A 96 9.378 16.584 -16.576 1.00 0.00 C ATOM 1524 CD LYS A 96 10.541 15.596 -16.404 1.00 0.00 C ATOM 1525 CE LYS A 96 11.898 16.321 -16.438 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.949 15.592 -15.692 1.00 0.00 N ATOM 0 H LYS A 96 9.799 19.417 -16.103 1.00 0.00 H new ATOM 0 HA LYS A 96 7.229 18.151 -15.979 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.936 17.565 -14.740 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.544 16.511 -14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.507 16.061 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.650 17.348 -17.305 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.433 15.065 -15.458 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.506 14.848 -17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.213 16.447 -17.474 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.784 17.319 -16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.870 16.046 -15.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.730 15.611 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.986 14.606 -16.019 1.00 0.00 H new ATOM 1540 N LEU A 97 6.415 18.671 -13.614 1.00 0.00 N ATOM 1541 CA LEU A 97 5.983 18.891 -12.234 1.00 0.00 C ATOM 1542 C LEU A 97 6.826 18.002 -11.303 1.00 0.00 C ATOM 1543 O LEU A 97 7.102 18.369 -10.165 1.00 0.00 O ATOM 1544 CB LEU A 97 4.484 18.583 -12.085 1.00 0.00 C ATOM 1545 CG LEU A 97 3.902 18.977 -10.710 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.942 20.495 -10.486 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.452 18.500 -10.617 1.00 0.00 C ATOM 0 H LEU A 97 5.693 18.293 -14.227 1.00 0.00 H new ATOM 0 HA LEU A 97 6.131 19.936 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.935 19.109 -12.866 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.324 17.517 -12.245 1.00 0.00 H new ATOM 0 HG LEU A 97 4.514 18.503 -9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.523 20.730 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.974 20.843 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.357 20.992 -11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.039 18.777 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.864 18.966 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.418 17.416 -10.730 1.00 0.00 H new ATOM 1559 N SER A 98 7.299 16.869 -11.830 1.00 0.00 N ATOM 1560 CA SER A 98 8.213 15.934 -11.183 1.00 0.00 C ATOM 1561 C SER A 98 9.593 16.542 -10.871 1.00 0.00 C ATOM 1562 O SER A 98 10.375 15.936 -10.137 1.00 0.00 O ATOM 1563 CB SER A 98 8.336 14.719 -12.108 1.00 0.00 C ATOM 1564 OG SER A 98 7.040 14.188 -12.307 1.00 0.00 O ATOM 0 H SER A 98 7.039 16.567 -12.769 1.00 0.00 H new ATOM 0 HA SER A 98 7.810 15.654 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.780 15.009 -13.061 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.992 13.969 -11.666 1.00 0.00 H new ATOM 0 HG SER A 98 6.910 13.990 -13.258 1.00 0.00 H new ATOM 1570 N ASP A 99 9.878 17.746 -11.378 1.00 0.00 N ATOM 1571 CA ASP A 99 11.134 18.470 -11.188 1.00 0.00 C ATOM 1572 C ASP A 99 10.844 19.837 -10.546 1.00 0.00 C ATOM 1573 O ASP A 99 11.724 20.689 -10.499 1.00 0.00 O ATOM 1574 CB ASP A 99 11.875 18.641 -12.533 1.00 0.00 C ATOM 1575 CG ASP A 99 12.596 17.393 -13.056 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.994 16.301 -13.152 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.761 17.525 -13.491 1.00 0.00 O ATOM 0 H ASP A 99 9.212 18.261 -11.954 1.00 0.00 H new ATOM 0 HA ASP A 99 11.781 17.896 -10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.155 18.965 -13.285 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.606 19.442 -12.425 1.00 0.00 H new ATOM 1582 N ILE A 100 9.630 20.084 -10.047 1.00 0.00 N ATOM 1583 CA ILE A 100 9.219 21.368 -9.479 1.00 0.00 C ATOM 1584 C ILE A 100 8.978 21.191 -7.985 1.00 0.00 C ATOM 1585 O ILE A 100 8.518 20.149 -7.515 1.00 0.00 O ATOM 1586 CB ILE A 100 7.992 21.913 -10.257 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.479 22.659 -11.518 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.998 22.774 -9.449 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.804 24.147 -11.342 1.00 0.00 C ATOM 0 H ILE A 100 8.891 19.381 -10.027 1.00 0.00 H new ATOM 0 HA ILE A 100 10.001 22.120 -9.585 1.00 0.00 H new ATOM 0 HB ILE A 100 7.404 21.035 -10.522 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.371 22.155 -11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.714 22.564 -12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.184 23.096 -10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.593 22.186 -8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.513 23.648 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.135 24.562 -12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.913 24.677 -11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.595 24.261 -10.601 1.00 0.00 H new ATOM 1601 N GLU A 101 9.263 22.265 -7.259 1.00 0.00 N ATOM 1602 CA GLU A 101 8.966 22.428 -5.847 1.00 0.00 C ATOM 1603 C GLU A 101 8.262 23.776 -5.713 1.00 0.00 C ATOM 1604 O GLU A 101 8.866 24.815 -5.984 1.00 0.00 O ATOM 1605 CB GLU A 101 10.277 22.358 -5.050 1.00 0.00 C ATOM 1606 CG GLU A 101 10.046 22.457 -3.536 1.00 0.00 C ATOM 1607 CD GLU A 101 11.366 22.367 -2.751 1.00 0.00 C ATOM 1608 OE1 GLU A 101 12.097 21.363 -2.910 1.00 0.00 O ATOM 1609 OE2 GLU A 101 11.672 23.285 -1.957 1.00 0.00 O ATOM 0 H GLU A 101 9.728 23.080 -7.659 1.00 0.00 H new ATOM 0 HA GLU A 101 8.320 21.644 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.788 21.422 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.936 23.166 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.549 23.399 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.378 21.657 -3.217 1.00 0.00 H new ATOM 1616 N ALA A 102 6.976 23.776 -5.359 1.00 0.00 N ATOM 1617 CA ALA A 102 6.231 25.016 -5.191 1.00 0.00 C ATOM 1618 C ALA A 102 6.750 25.769 -3.964 1.00 0.00 C ATOM 1619 O ALA A 102 7.153 25.162 -2.968 1.00 0.00 O ATOM 1620 CB ALA A 102 4.739 24.722 -5.044 1.00 0.00 C ATOM 0 H ALA A 102 6.433 22.930 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 102 6.373 25.639 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.194 25.658 -4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.380 24.209 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.577 24.089 -4.172 1.00 0.00 H new ATOM 1626 N ILE A 103 6.688 27.096 -4.031 1.00 0.00 N ATOM 1627 CA ILE A 103 7.135 28.004 -2.983 1.00 0.00 C ATOM 1628 C ILE A 103 5.902 28.756 -2.477 1.00 0.00 C ATOM 1629 O ILE A 103 5.132 29.300 -3.270 1.00 0.00 O ATOM 1630 CB ILE A 103 8.229 28.948 -3.542 1.00 0.00 C ATOM 1631 CG1 ILE A 103 9.508 28.168 -3.933 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.596 30.045 -2.526 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.481 28.991 -4.789 1.00 0.00 C ATOM 0 H ILE A 103 6.312 27.584 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 103 7.588 27.471 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 103 7.812 29.414 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.018 27.842 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.224 27.269 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.366 30.690 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.711 30.639 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.971 29.584 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.356 28.386 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.986 29.295 -5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.793 29.877 -4.236 1.00 0.00 H new ATOM 1645 N ASP A 104 5.762 28.809 -1.146 1.00 0.00 N ATOM 1646 CA ASP A 104 4.739 29.567 -0.415 1.00 0.00 C ATOM 1647 C ASP A 104 3.321 29.367 -0.980 1.00 0.00 C ATOM 1648 O ASP A 104 2.540 30.312 -1.118 1.00 0.00 O ATOM 1649 CB ASP A 104 5.164 31.041 -0.305 1.00 0.00 C ATOM 1650 CG ASP A 104 4.250 31.856 0.630 1.00 0.00 C ATOM 1651 OD1 ASP A 104 3.930 31.386 1.746 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.897 33.007 0.285 1.00 0.00 O ATOM 0 H ASP A 104 6.388 28.301 -0.521 1.00 0.00 H new ATOM 0 HA ASP A 104 4.673 29.169 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.190 31.093 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.156 31.492 -1.297 1.00 0.00 H new ATOM 1657 N VAL A 105 3.004 28.128 -1.365 1.00 0.00 N ATOM 1658 CA VAL A 105 1.757 27.788 -2.044 1.00 0.00 C ATOM 1659 C VAL A 105 0.714 27.299 -1.032 1.00 0.00 C ATOM 1660 O VAL A 105 1.045 26.993 0.120 1.00 0.00 O ATOM 1661 CB VAL A 105 2.064 26.793 -3.184 1.00 0.00 C ATOM 1662 CG1 VAL A 105 2.103 25.315 -2.766 1.00 0.00 C ATOM 1663 CG2 VAL A 105 1.164 27.033 -4.391 1.00 0.00 C ATOM 0 H VAL A 105 3.615 27.326 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 105 1.309 28.666 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 105 3.091 27.008 -3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.326 24.697 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.876 25.171 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.135 25.028 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.407 26.315 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.121 26.911 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.319 28.045 -4.765 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.550 27.237 -1.453 1.00 0.00 N ATOM 1674 CA ASP A 106 -1.646 26.760 -0.617 1.00 0.00 C ATOM 1675 C ASP A 106 -1.478 25.284 -0.291 1.00 0.00 C ATOM 1676 O ASP A 106 -0.826 24.519 -1.002 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.010 26.968 -1.281 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.178 26.456 -0.428 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -4.352 26.951 0.708 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -4.860 25.500 -0.853 1.00 0.00 O ATOM 0 H ASP A 106 -0.841 27.518 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.612 27.348 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.152 28.030 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.020 26.458 -2.244 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.153 24.894 0.776 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.138 23.544 1.317 1.00 0.00 C ATOM 1687 C ASP A 107 -2.571 22.525 0.268 1.00 0.00 C ATOM 1688 O ASP A 107 -1.920 21.495 0.121 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.050 23.461 2.543 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.098 22.027 3.098 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.116 21.594 3.742 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.138 21.350 2.943 1.00 0.00 O ATOM 0 H ASP A 107 -2.747 25.529 1.309 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.116 23.308 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.691 24.142 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.056 23.785 2.275 1.00 0.00 H new ATOM 1697 N ASP A 108 -3.621 22.810 -0.508 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.168 21.836 -1.449 1.00 0.00 C ATOM 1699 C ASP A 108 -3.278 21.722 -2.693 1.00 0.00 C ATOM 1700 O ASP A 108 -3.139 20.640 -3.263 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.608 22.229 -1.812 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.483 21.058 -2.298 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.169 19.875 -2.036 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.562 21.333 -2.870 1.00 0.00 O ATOM 0 H ASP A 108 -4.107 23.707 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.188 20.852 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.079 22.681 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.579 22.992 -2.590 1.00 0.00 H new ATOM 1709 N THR A 109 -2.609 22.818 -3.077 1.00 0.00 N ATOM 1710 CA THR A 109 -1.608 22.807 -4.145 1.00 0.00 C ATOM 1711 C THR A 109 -0.413 21.969 -3.685 1.00 0.00 C ATOM 1712 O THR A 109 0.009 21.054 -4.395 1.00 0.00 O ATOM 1713 CB THR A 109 -1.232 24.259 -4.526 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.420 24.927 -4.912 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.301 24.348 -5.736 1.00 0.00 C ATOM 0 H THR A 109 -2.749 23.736 -2.654 1.00 0.00 H new ATOM 0 HA THR A 109 -2.001 22.347 -5.051 1.00 0.00 H new ATOM 0 HB THR A 109 -0.731 24.692 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.657 25.592 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.078 25.394 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.626 23.816 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.786 23.898 -6.602 1.00 0.00 H new ATOM 1723 N GLN A 110 0.094 22.221 -2.475 1.00 0.00 N ATOM 1724 CA GLN A 110 1.245 21.513 -1.946 1.00 0.00 C ATOM 1725 C GLN A 110 0.940 20.022 -1.769 1.00 0.00 C ATOM 1726 O GLN A 110 1.802 19.195 -2.071 1.00 0.00 O ATOM 1727 CB GLN A 110 1.694 22.186 -0.642 1.00 0.00 C ATOM 1728 CG GLN A 110 2.990 21.606 -0.063 1.00 0.00 C ATOM 1729 CD GLN A 110 4.172 21.626 -1.037 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.941 22.582 -1.086 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.344 20.577 -1.828 1.00 0.00 N ATOM 0 H GLN A 110 -0.288 22.923 -1.841 1.00 0.00 H new ATOM 0 HA GLN A 110 2.071 21.568 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.832 23.252 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.900 22.089 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.260 22.168 0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.808 20.578 0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.698 19.789 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.122 20.557 -2.487 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.266 19.669 -1.320 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.675 18.281 -1.164 1.00 0.00 C ATOM 1742 C GLU A 111 -0.747 17.582 -2.516 1.00 0.00 C ATOM 1743 O GLU A 111 -0.260 16.462 -2.624 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.027 18.184 -0.439 1.00 0.00 C ATOM 1745 CG GLU A 111 -1.900 18.370 1.079 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.248 17.157 1.768 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.954 16.164 2.055 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.029 17.192 2.052 1.00 0.00 O ATOM 0 H GLU A 111 -0.985 20.343 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 111 0.077 17.778 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.704 18.940 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.476 17.213 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.308 19.262 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.889 18.538 1.505 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.296 18.221 -3.554 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.376 17.613 -4.878 1.00 0.00 C ATOM 1757 C ALA A 112 0.019 17.314 -5.437 1.00 0.00 C ATOM 1758 O ALA A 112 0.237 16.251 -6.019 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.148 18.541 -5.815 1.00 0.00 C ATOM 0 H ALA A 112 -1.691 19.160 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.904 16.663 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.209 18.089 -6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.154 18.698 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.632 19.499 -5.885 1.00 0.00 H new ATOM 1765 N ILE A 113 0.967 18.235 -5.239 1.00 0.00 N ATOM 1766 CA ILE A 113 2.351 18.061 -5.670 1.00 0.00 C ATOM 1767 C ILE A 113 2.974 16.901 -4.894 1.00 0.00 C ATOM 1768 O ILE A 113 3.515 15.980 -5.501 1.00 0.00 O ATOM 1769 CB ILE A 113 3.134 19.371 -5.456 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.592 20.478 -6.381 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.645 19.182 -5.685 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.892 21.860 -5.811 1.00 0.00 C ATOM 0 H ILE A 113 0.792 19.125 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 113 2.387 17.824 -6.733 1.00 0.00 H new ATOM 0 HB ILE A 113 2.992 19.669 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 113 3.041 20.383 -7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.516 20.358 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.159 20.130 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.029 18.438 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.819 18.844 -6.707 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.499 22.624 -6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.422 21.960 -4.833 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.970 21.986 -5.710 1.00 0.00 H new ATOM 1784 N ALA A 114 2.896 16.938 -3.562 1.00 0.00 N ATOM 1785 CA ALA A 114 3.472 15.898 -2.716 1.00 0.00 C ATOM 1786 C ALA A 114 2.900 14.523 -3.081 1.00 0.00 C ATOM 1787 O ALA A 114 3.646 13.557 -3.218 1.00 0.00 O ATOM 1788 CB ALA A 114 3.215 16.225 -1.242 1.00 0.00 C ATOM 0 H ALA A 114 2.434 17.686 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 114 4.549 15.864 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.647 15.445 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.673 17.183 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.141 16.280 -1.063 1.00 0.00 H new ATOM 1794 N ASP A 115 1.587 14.444 -3.290 1.00 0.00 N ATOM 1795 CA ASP A 115 0.893 13.206 -3.617 1.00 0.00 C ATOM 1796 C ASP A 115 1.307 12.660 -4.984 1.00 0.00 C ATOM 1797 O ASP A 115 1.503 11.453 -5.144 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.614 13.449 -3.567 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.395 12.143 -3.679 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.158 11.233 -2.857 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.354 12.084 -4.478 1.00 0.00 O ATOM 0 H ASP A 115 0.968 15.253 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 115 1.170 12.452 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.872 13.950 -2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.903 14.118 -4.378 1.00 0.00 H new ATOM 1806 N TRP A 116 1.515 13.551 -5.958 1.00 0.00 N ATOM 1807 CA TRP A 116 2.069 13.180 -7.252 1.00 0.00 C ATOM 1808 C TRP A 116 3.495 12.644 -7.083 1.00 0.00 C ATOM 1809 O TRP A 116 3.851 11.633 -7.687 1.00 0.00 O ATOM 1810 CB TRP A 116 2.042 14.378 -8.214 1.00 0.00 C ATOM 1811 CG TRP A 116 2.867 14.168 -9.445 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.045 14.775 -9.719 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.667 13.189 -10.509 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.587 14.232 -10.865 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.789 13.240 -11.386 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.670 12.234 -10.802 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.917 12.389 -12.492 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.775 11.389 -11.922 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.901 11.461 -12.761 1.00 0.00 C ATOM 0 H TRP A 116 1.303 14.545 -5.867 1.00 0.00 H new ATOM 0 HA TRP A 116 1.455 12.389 -7.683 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.011 14.577 -8.506 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.402 15.264 -7.690 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.492 15.563 -9.131 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.472 14.530 -11.276 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.810 12.150 -10.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.787 12.447 -13.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.988 10.682 -12.138 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.983 10.802 -13.612 1.00 0.00 H new ATOM 1830 N LEU A 117 4.312 13.287 -6.245 1.00 0.00 N ATOM 1831 CA LEU A 117 5.681 12.851 -6.005 1.00 0.00 C ATOM 1832 C LEU A 117 5.710 11.491 -5.301 1.00 0.00 C ATOM 1833 O LEU A 117 6.631 10.720 -5.560 1.00 0.00 O ATOM 1834 CB LEU A 117 6.473 13.916 -5.229 1.00 0.00 C ATOM 1835 CG LEU A 117 6.753 15.198 -6.042 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.311 16.282 -5.116 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.729 14.962 -7.203 1.00 0.00 C ATOM 0 H LEU A 117 4.041 14.118 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 117 6.171 12.725 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.920 14.182 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.422 13.487 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 117 5.806 15.518 -6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.508 17.186 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.585 16.501 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.238 15.931 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.889 15.897 -7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.680 14.601 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.312 14.220 -7.884 1.00 0.00 H new ATOM 1849 N TYR A 118 4.716 11.143 -4.474 1.00 0.00 N ATOM 1850 CA TYR A 118 4.615 9.796 -3.914 1.00 0.00 C ATOM 1851 C TYR A 118 4.362 8.782 -5.030 1.00 0.00 C ATOM 1852 O TYR A 118 5.047 7.764 -5.101 1.00 0.00 O ATOM 1853 CB TYR A 118 3.498 9.690 -2.861 1.00 0.00 C ATOM 1854 CG TYR A 118 3.530 10.669 -1.700 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.744 11.178 -1.193 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.312 11.065 -1.114 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.739 12.087 -0.122 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.295 12.002 -0.068 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.512 12.512 0.441 1.00 0.00 C ATOM 1860 OH TYR A 118 3.488 13.407 1.469 1.00 0.00 O ATOM 0 H TYR A 118 3.973 11.777 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 118 5.562 9.578 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.542 9.806 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.519 8.681 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.681 10.867 -1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.384 10.645 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.672 12.462 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.354 12.333 0.347 1.00 0.00 H new ATOM 0 HH TYR A 118 2.559 13.584 1.727 1.00 0.00 H new ATOM 1870 N TRP A 119 3.408 9.059 -5.923 1.00 0.00 N ATOM 1871 CA TRP A 119 3.096 8.192 -7.055 1.00 0.00 C ATOM 1872 C TRP A 119 4.318 8.024 -7.968 1.00 0.00 C ATOM 1873 O TRP A 119 4.607 6.915 -8.426 1.00 0.00 O ATOM 1874 CB TRP A 119 1.881 8.781 -7.782 1.00 0.00 C ATOM 1875 CG TRP A 119 1.543 8.206 -9.122 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.148 8.546 -10.279 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.461 7.302 -9.497 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.558 7.888 -11.336 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.460 7.163 -10.919 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.566 6.644 -8.786 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.541 6.447 -11.592 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.591 5.953 -9.458 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.591 5.871 -10.861 1.00 0.00 C ATOM 0 H TRP A 119 2.829 9.897 -5.878 1.00 0.00 H new ATOM 0 HA TRP A 119 2.844 7.187 -6.716 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.011 8.666 -7.135 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.047 9.851 -7.905 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.976 9.235 -10.364 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.889 7.931 -12.300 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.565 6.672 -7.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.504 6.340 -12.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -2.382 5.483 -8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.396 5.367 -11.375 1.00 0.00 H new ATOM 1894 N LEU A 120 5.077 9.099 -8.196 1.00 0.00 N ATOM 1895 CA LEU A 120 6.321 9.061 -8.951 1.00 0.00 C ATOM 1896 C LEU A 120 7.348 8.170 -8.250 1.00 0.00 C ATOM 1897 O LEU A 120 7.889 7.255 -8.870 1.00 0.00 O ATOM 1898 CB LEU A 120 6.840 10.499 -9.100 1.00 0.00 C ATOM 1899 CG LEU A 120 8.130 10.616 -9.929 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.872 10.312 -11.409 1.00 0.00 C ATOM 1901 CD2 LEU A 120 8.683 12.034 -9.766 1.00 0.00 C ATOM 0 H LEU A 120 4.837 10.030 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 120 6.147 8.635 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.065 11.108 -9.565 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.019 10.914 -8.108 1.00 0.00 H new ATOM 0 HG LEU A 120 8.854 9.885 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 120 8.804 10.403 -11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.487 9.297 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.142 11.019 -11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 120 9.599 12.136 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.946 12.755 -10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.898 12.222 -8.714 1.00 0.00 H new ATOM 1913 N ALA A 121 7.588 8.401 -6.954 1.00 0.00 N ATOM 1914 CA ALA A 121 8.544 7.637 -6.157 1.00 0.00 C ATOM 1915 C ALA A 121 8.161 6.155 -6.065 1.00 0.00 C ATOM 1916 O ALA A 121 9.034 5.303 -5.894 1.00 0.00 O ATOM 1917 CB ALA A 121 8.650 8.250 -4.757 1.00 0.00 C ATOM 0 H ALA A 121 7.115 9.135 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 121 9.513 7.687 -6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.364 7.679 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.989 9.283 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.673 8.225 -4.274 1.00 0.00 H new ATOM 1923 N ARG A 122 6.871 5.831 -6.210 1.00 0.00 N ATOM 1924 CA ARG A 122 6.375 4.459 -6.269 1.00 0.00 C ATOM 1925 C ARG A 122 6.875 3.689 -7.492 1.00 0.00 C ATOM 1926 O ARG A 122 6.723 2.467 -7.526 1.00 0.00 O ATOM 1927 CB ARG A 122 4.832 4.475 -6.279 1.00 0.00 C ATOM 1928 CG ARG A 122 4.233 3.666 -5.129 1.00 0.00 C ATOM 1929 CD ARG A 122 4.199 4.547 -3.872 1.00 0.00 C ATOM 1930 NE ARG A 122 3.735 3.837 -2.671 1.00 0.00 N ATOM 1931 CZ ARG A 122 2.516 3.329 -2.457 1.00 0.00 C ATOM 1932 NH1 ARG A 122 1.590 3.370 -3.409 1.00 0.00 N ATOM 1933 NH2 ARG A 122 2.216 2.784 -1.290 1.00 0.00 N ATOM 0 H ARG A 122 6.133 6.530 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 122 6.759 3.945 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.482 5.505 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.473 4.074 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.227 3.334 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.828 2.771 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.198 4.942 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.547 5.401 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 122 4.416 3.719 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.806 3.791 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.663 2.980 -3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.915 2.750 -0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.285 2.398 -1.132 1.00 0.00 H new ATOM 1947 N GLY A 123 7.430 4.367 -8.500 1.00 0.00 N ATOM 1948 CA GLY A 123 7.723 3.747 -9.782 1.00 0.00 C ATOM 1949 C GLY A 123 6.426 3.553 -10.574 1.00 0.00 C ATOM 1950 O GLY A 123 6.316 2.577 -11.317 1.00 0.00 O ATOM 0 H GLY A 123 7.685 5.353 -8.445 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.415 4.370 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.213 2.786 -9.628 1.00 0.00 H new ATOM 1954 N TYR A 124 5.476 4.492 -10.414 1.00 0.00 N ATOM 1955 CA TYR A 124 4.182 4.611 -11.075 1.00 0.00 C ATOM 1956 C TYR A 124 3.234 3.414 -10.952 1.00 0.00 C ATOM 1957 O TYR A 124 3.582 2.321 -10.501 1.00 0.00 O ATOM 1958 CB TYR A 124 4.437 4.938 -12.557 1.00 0.00 C ATOM 1959 CG TYR A 124 4.847 6.341 -12.948 1.00 0.00 C ATOM 1960 CD1 TYR A 124 4.722 7.437 -12.075 1.00 0.00 C ATOM 1961 CD2 TYR A 124 5.297 6.545 -14.264 1.00 0.00 C ATOM 1962 CE1 TYR A 124 5.013 8.732 -12.524 1.00 0.00 C ATOM 1963 CE2 TYR A 124 5.619 7.835 -14.714 1.00 0.00 C ATOM 1964 CZ TYR A 124 5.470 8.940 -13.846 1.00 0.00 C ATOM 1965 OH TYR A 124 5.751 10.196 -14.285 1.00 0.00 O ATOM 0 H TYR A 124 5.618 5.256 -9.753 1.00 0.00 H new ATOM 0 HA TYR A 124 3.651 5.406 -10.551 1.00 0.00 H new ATOM 0 HB2 TYR A 124 5.212 4.259 -12.913 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.527 4.698 -13.106 1.00 0.00 H new ATOM 0 HD1 TYR A 124 4.401 7.280 -11.056 1.00 0.00 H new ATOM 0 HD2 TYR A 124 5.396 5.703 -14.934 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.888 9.574 -11.859 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.980 7.983 -15.721 1.00 0.00 H new ATOM 0 HH TYR A 124 5.119 10.831 -13.887 1.00 0.00 H new ATOM 1975 N LYS A 125 1.995 3.666 -11.393 1.00 0.00 N ATOM 1976 CA LYS A 125 0.963 2.646 -11.610 1.00 0.00 C ATOM 1977 C LYS A 125 0.266 2.833 -12.964 1.00 0.00 C ATOM 1978 O LYS A 125 -0.700 2.122 -13.247 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.096 2.629 -10.502 1.00 0.00 C ATOM 1980 CG LYS A 125 0.432 2.591 -9.064 1.00 0.00 C ATOM 1981 CD LYS A 125 -0.744 2.331 -8.107 1.00 0.00 C ATOM 1982 CE LYS A 125 -0.306 2.296 -6.638 1.00 0.00 C ATOM 1983 NZ LYS A 125 -1.427 1.911 -5.741 1.00 0.00 N ATOM 0 H LYS A 125 1.675 4.609 -11.614 1.00 0.00 H new ATOM 0 HA LYS A 125 1.487 1.690 -11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.723 3.513 -10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.738 1.761 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.183 1.808 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.918 3.535 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.496 3.109 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.216 1.383 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.515 1.589 -6.519 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.073 3.276 -6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.118 1.980 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.232 2.550 -5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.716 0.933 -5.946 1.00 0.00 H new ATOM 1997 N PHE A 126 0.710 3.805 -13.774 1.00 0.00 N ATOM 1998 CA PHE A 126 0.290 3.953 -15.164 1.00 0.00 C ATOM 1999 C PHE A 126 0.339 2.584 -15.846 1.00 0.00 C ATOM 2000 O PHE A 126 1.416 1.946 -15.857 1.00 0.00 O ATOM 2001 CB PHE A 126 1.189 4.957 -15.907 1.00 0.00 C ATOM 2002 CG PHE A 126 1.105 6.428 -15.529 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -0.100 7.008 -15.091 1.00 0.00 C ATOM 2004 CD2 PHE A 126 2.241 7.247 -15.675 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -0.152 8.367 -14.738 1.00 0.00 C ATOM 2006 CE2 PHE A 126 2.181 8.616 -15.361 1.00 0.00 C ATOM 2007 CZ PHE A 126 0.984 9.177 -14.884 1.00 0.00 C ATOM 2008 OXT PHE A 126 -0.724 2.153 -16.336 1.00 0.00 O ATOM 0 H PHE A 126 1.378 4.515 -13.474 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.729 4.340 -15.191 1.00 0.00 H new ATOM 0 HB2 PHE A 126 2.223 4.639 -15.772 1.00 0.00 H new ATOM 0 HB3 PHE A 126 0.967 4.875 -16.971 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -0.992 6.403 -15.026 1.00 0.00 H new ATOM 0 HD2 PHE A 126 3.167 6.820 -16.031 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -1.069 8.789 -14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 126 3.056 9.237 -15.486 1.00 0.00 H new ATOM 0 HZ PHE A 126 0.939 10.226 -14.631 1.00 0.00 H new TER 2018 PHE A 126