USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=33 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 -179:sc= 0 (180deg=-0.00115) USER MOD Set 1.2: A 74 CYS SG : rot 76:sc= 0.229 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 141:sc= 0.0688 (180deg=0) USER MOD Set 2.2: A 93 TYR OH : rot 29:sc= 1.25 USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 1.12 USER MOD Set 3.2: A 57 THR OG1 : rot 121:sc= 1.18 USER MOD Set 4.1: A 47 LYS NZ :NH3+ 166:sc= 0.992 (180deg=0) USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 0.86 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0501) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.325 (180deg=0.13) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot -80:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.17) USER MOD Single : A 30 MET CE :methyl 143:sc= -0.903 (180deg=-3.39!) 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 83:sc= 1.31 USER MOD Single : A 45 MET CE :methyl -169:sc= -0.591 (180deg=-0.749) USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.2) 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 52 SER OG : rot 180:sc=-0.000787 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.17) USER MOD Single : A 78 MET CE :methyl 173:sc= -0.0953 (180deg=-0.141) 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 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0.906 (180deg=0.826) USER MOD Single : A 98 SER OG : rot 137:sc= 0.811 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 110 GLN : amide:sc= -0.0511 K(o=-0.051,f=-0.72) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -91:sc= 0.124 USER MOD Single : A 125 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.041 -15.190 -4.345 1.00 0.00 N ATOM 2 CA MET A 1 5.841 -14.910 -3.130 1.00 0.00 C ATOM 3 C MET A 1 7.055 -14.044 -3.489 1.00 0.00 C ATOM 4 O MET A 1 7.684 -14.252 -4.530 1.00 0.00 O ATOM 5 CB MET A 1 6.255 -16.210 -2.407 1.00 0.00 C ATOM 6 CG MET A 1 6.967 -15.951 -1.069 1.00 0.00 C ATOM 7 SD MET A 1 6.100 -14.858 0.099 1.00 0.00 S ATOM 8 CE MET A 1 4.707 -15.920 0.574 1.00 0.00 C ATOM 0 H1 MET A 1 4.465 -16.042 -4.193 1.00 0.00 H new ATOM 0 H2 MET A 1 4.418 -14.382 -4.544 1.00 0.00 H new ATOM 0 H3 MET A 1 5.678 -15.343 -5.153 1.00 0.00 H new ATOM 0 HA MET A 1 5.220 -14.352 -2.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.368 -16.819 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.913 -16.787 -3.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.138 -16.910 -0.580 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.947 -15.521 -1.279 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.157 -15.454 1.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.043 -16.053 -0.280 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.083 -16.891 0.896 1.00 0.00 H new ATOM 20 N ALA A 2 7.403 -13.086 -2.622 1.00 0.00 N ATOM 21 CA ALA A 2 8.636 -12.302 -2.678 1.00 0.00 C ATOM 22 C ALA A 2 9.026 -11.925 -1.244 1.00 0.00 C ATOM 23 O ALA A 2 8.247 -12.158 -0.315 1.00 0.00 O ATOM 24 CB ALA A 2 8.434 -11.041 -3.537 1.00 0.00 C ATOM 0 H ALA A 2 6.809 -12.828 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 2 9.433 -12.887 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.362 -10.469 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.153 -11.332 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.644 -10.428 -3.103 1.00 0.00 H new ATOM 30 N SER A 3 10.175 -11.269 -1.083 1.00 0.00 N ATOM 31 CA SER A 3 10.734 -10.858 0.208 1.00 0.00 C ATOM 32 C SER A 3 11.073 -9.355 0.182 1.00 0.00 C ATOM 33 O SER A 3 12.049 -8.907 0.784 1.00 0.00 O ATOM 34 CB SER A 3 11.946 -11.746 0.536 1.00 0.00 C ATOM 35 OG SER A 3 11.615 -13.127 0.450 1.00 0.00 O ATOM 0 H SER A 3 10.763 -11.000 -1.872 1.00 0.00 H new ATOM 0 HA SER A 3 10.004 -10.995 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.760 -11.522 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.305 -11.518 1.540 1.00 0.00 H new ATOM 0 HG SER A 3 12.405 -13.667 0.662 1.00 0.00 H new ATOM 41 N VAL A 4 10.283 -8.579 -0.571 1.00 0.00 N ATOM 42 CA VAL A 4 10.492 -7.153 -0.836 1.00 0.00 C ATOM 43 C VAL A 4 10.293 -6.274 0.419 1.00 0.00 C ATOM 44 O VAL A 4 10.716 -5.117 0.432 1.00 0.00 O ATOM 45 CB VAL A 4 9.574 -6.764 -2.020 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.084 -6.794 -1.645 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.921 -5.410 -2.652 1.00 0.00 C ATOM 0 H VAL A 4 9.448 -8.944 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 4 11.531 -6.969 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 4 9.763 -7.532 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.485 -6.513 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.810 -7.799 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.899 -6.091 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.235 -5.206 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.832 -4.625 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.943 -5.436 -3.030 1.00 0.00 H new ATOM 57 N GLU A 5 9.650 -6.802 1.468 1.00 0.00 N ATOM 58 CA GLU A 5 9.407 -6.090 2.724 1.00 0.00 C ATOM 59 C GLU A 5 10.727 -5.674 3.397 1.00 0.00 C ATOM 60 O GLU A 5 11.782 -6.270 3.155 1.00 0.00 O ATOM 61 CB GLU A 5 8.559 -6.968 3.660 1.00 0.00 C ATOM 62 CG GLU A 5 7.095 -7.021 3.193 1.00 0.00 C ATOM 63 CD GLU A 5 6.204 -8.006 3.967 1.00 0.00 C ATOM 64 OE1 GLU A 5 6.616 -8.539 5.019 1.00 0.00 O ATOM 65 OE2 GLU A 5 5.091 -8.297 3.471 1.00 0.00 O ATOM 0 H GLU A 5 9.279 -7.752 1.465 1.00 0.00 H new ATOM 0 HA GLU A 5 8.857 -5.175 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.971 -7.977 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.606 -6.574 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.666 -6.023 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.075 -7.289 2.137 1.00 0.00 H new ATOM 72 N ARG A 6 10.657 -4.650 4.260 1.00 0.00 N ATOM 73 CA ARG A 6 11.802 -4.012 4.898 1.00 0.00 C ATOM 74 C ARG A 6 12.712 -5.023 5.596 1.00 0.00 C ATOM 75 O ARG A 6 13.919 -5.029 5.353 1.00 0.00 O ATOM 76 CB ARG A 6 11.219 -2.982 5.873 1.00 0.00 C ATOM 77 CG ARG A 6 12.256 -2.121 6.597 1.00 0.00 C ATOM 78 CD ARG A 6 11.472 -1.149 7.479 1.00 0.00 C ATOM 79 NE ARG A 6 12.361 -0.213 8.191 1.00 0.00 N ATOM 80 CZ ARG A 6 12.005 0.961 8.730 1.00 0.00 C ATOM 81 NH1 ARG A 6 10.754 1.408 8.633 1.00 0.00 N ATOM 82 NH2 ARG A 6 12.912 1.691 9.370 1.00 0.00 N ATOM 0 H ARG A 6 9.768 -4.234 4.538 1.00 0.00 H new ATOM 0 HA ARG A 6 12.444 -3.531 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.543 -2.326 5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.620 -3.506 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.922 -2.740 7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.879 -1.582 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.770 -0.586 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.882 -1.711 8.203 1.00 0.00 H new ATOM 0 HE ARG A 6 13.340 -0.485 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.051 0.854 8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.499 2.304 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.872 1.357 9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.648 2.586 9.783 1.00 0.00 H new ATOM 96 N ASP A 7 12.131 -5.870 6.444 1.00 0.00 N ATOM 97 CA ASP A 7 12.781 -6.948 7.182 1.00 0.00 C ATOM 98 C ASP A 7 11.657 -7.823 7.758 1.00 0.00 C ATOM 99 O ASP A 7 10.475 -7.494 7.606 1.00 0.00 O ATOM 100 CB ASP A 7 13.687 -6.369 8.293 1.00 0.00 C ATOM 101 CG ASP A 7 14.492 -7.431 9.061 1.00 0.00 C ATOM 102 OD1 ASP A 7 14.807 -8.498 8.488 1.00 0.00 O ATOM 103 OD2 ASP A 7 14.830 -7.191 10.241 1.00 0.00 O ATOM 0 H ASP A 7 11.132 -5.817 6.645 1.00 0.00 H new ATOM 0 HA ASP A 7 13.428 -7.544 6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.380 -5.655 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.069 -5.815 9.000 1.00 0.00 H new ATOM 108 N GLU A 8 11.990 -8.920 8.443 1.00 0.00 N ATOM 109 CA GLU A 8 11.033 -9.799 9.118 1.00 0.00 C ATOM 110 C GLU A 8 10.204 -9.083 10.200 1.00 0.00 C ATOM 111 O GLU A 8 9.243 -9.655 10.713 1.00 0.00 O ATOM 112 CB GLU A 8 11.747 -11.045 9.672 1.00 0.00 C ATOM 113 CG GLU A 8 12.693 -10.755 10.848 1.00 0.00 C ATOM 114 CD GLU A 8 13.366 -12.043 11.355 1.00 0.00 C ATOM 115 OE1 GLU A 8 14.430 -12.436 10.822 1.00 0.00 O ATOM 116 OE2 GLU A 8 12.850 -12.673 12.306 1.00 0.00 O ATOM 0 H GLU A 8 12.957 -9.229 8.546 1.00 0.00 H new ATOM 0 HA GLU A 8 10.310 -10.118 8.367 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.997 -11.768 9.993 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.316 -11.512 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.456 -10.042 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.135 -10.290 11.660 1.00 0.00 H new ATOM 123 N THR A 9 10.538 -7.836 10.541 1.00 0.00 N ATOM 124 CA THR A 9 9.731 -6.964 11.372 1.00 0.00 C ATOM 125 C THR A 9 8.310 -6.883 10.811 1.00 0.00 C ATOM 126 O THR A 9 7.334 -7.045 11.544 1.00 0.00 O ATOM 127 CB THR A 9 10.390 -5.575 11.345 1.00 0.00 C ATOM 128 OG1 THR A 9 10.811 -5.248 10.029 1.00 0.00 O ATOM 129 CG2 THR A 9 11.614 -5.497 12.258 1.00 0.00 C ATOM 0 H THR A 9 11.407 -7.399 10.232 1.00 0.00 H new ATOM 0 HA THR A 9 9.671 -7.342 12.393 1.00 0.00 H new ATOM 0 HB THR A 9 9.635 -4.872 11.698 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.227 -4.361 10.030 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.045 -4.497 12.205 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.316 -5.710 13.285 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.355 -6.229 11.936 1.00 0.00 H new ATOM 137 N ARG A 10 8.191 -6.679 9.496 1.00 0.00 N ATOM 138 CA ARG A 10 6.900 -6.606 8.825 1.00 0.00 C ATOM 139 C ARG A 10 6.155 -7.929 8.966 1.00 0.00 C ATOM 140 O ARG A 10 4.990 -7.903 9.349 1.00 0.00 O ATOM 141 CB ARG A 10 7.080 -6.223 7.346 1.00 0.00 C ATOM 142 CG ARG A 10 7.638 -4.810 7.096 1.00 0.00 C ATOM 143 CD ARG A 10 6.756 -3.697 7.690 1.00 0.00 C ATOM 144 NE ARG A 10 6.442 -2.649 6.706 1.00 0.00 N ATOM 145 CZ ARG A 10 6.724 -1.341 6.773 1.00 0.00 C ATOM 146 NH1 ARG A 10 7.408 -0.828 7.791 1.00 0.00 N ATOM 147 NH2 ARG A 10 6.316 -0.531 5.803 1.00 0.00 N ATOM 0 H ARG A 10 8.989 -6.561 8.872 1.00 0.00 H new ATOM 0 HA ARG A 10 6.302 -5.828 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.747 -6.947 6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.116 -6.309 6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.638 -4.740 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.739 -4.651 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.829 -4.132 8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.265 -3.250 8.544 1.00 0.00 H new ATOM 0 HE ARG A 10 5.948 -2.957 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.731 -1.434 8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.609 0.172 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.791 -0.906 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.528 0.466 5.848 1.00 0.00 H new ATOM 161 N GLU A 11 6.812 -9.072 8.743 1.00 0.00 N ATOM 162 CA GLU A 11 6.179 -10.386 8.880 1.00 0.00 C ATOM 163 C GLU A 11 5.638 -10.558 10.305 1.00 0.00 C ATOM 164 O GLU A 11 4.498 -10.992 10.489 1.00 0.00 O ATOM 165 CB GLU A 11 7.180 -11.515 8.564 1.00 0.00 C ATOM 166 CG GLU A 11 7.637 -11.596 7.100 1.00 0.00 C ATOM 167 CD GLU A 11 6.651 -12.349 6.194 1.00 0.00 C ATOM 168 OE1 GLU A 11 5.454 -11.993 6.110 1.00 0.00 O ATOM 169 OE2 GLU A 11 7.059 -13.301 5.494 1.00 0.00 O ATOM 0 H GLU A 11 7.792 -9.112 8.464 1.00 0.00 H new ATOM 0 HA GLU A 11 5.356 -10.445 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.059 -11.386 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.727 -12.467 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.775 -10.586 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.608 -12.089 7.057 1.00 0.00 H new ATOM 176 N HIS A 12 6.434 -10.181 11.311 1.00 0.00 N ATOM 177 CA HIS A 12 6.050 -10.268 12.712 1.00 0.00 C ATOM 178 C HIS A 12 4.836 -9.381 13.000 1.00 0.00 C ATOM 179 O HIS A 12 3.872 -9.849 13.606 1.00 0.00 O ATOM 180 CB HIS A 12 7.250 -9.890 13.593 1.00 0.00 C ATOM 181 CG HIS A 12 6.963 -9.956 15.073 1.00 0.00 C ATOM 182 ND1 HIS A 12 6.966 -11.088 15.859 1.00 0.00 N ATOM 183 CD2 HIS A 12 6.674 -8.897 15.893 1.00 0.00 C ATOM 184 CE1 HIS A 12 6.692 -10.718 17.121 1.00 0.00 C ATOM 185 NE2 HIS A 12 6.508 -9.386 17.196 1.00 0.00 N ATOM 0 H HIS A 12 7.371 -9.804 11.168 1.00 0.00 H new ATOM 0 HA HIS A 12 5.758 -11.292 12.945 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.082 -10.556 13.363 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.571 -8.880 13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.589 -7.864 15.588 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.628 -11.395 17.960 1.00 0.00 H new ATOM 0 HE2 HIS A 12 6.292 -8.843 18.032 1.00 0.00 H new ATOM 193 N ARG A 13 4.843 -8.117 12.560 1.00 0.00 N ATOM 194 CA ARG A 13 3.730 -7.194 12.798 1.00 0.00 C ATOM 195 C ARG A 13 2.465 -7.678 12.095 1.00 0.00 C ATOM 196 O ARG A 13 1.393 -7.624 12.695 1.00 0.00 O ATOM 197 CB ARG A 13 4.096 -5.773 12.333 1.00 0.00 C ATOM 198 CG ARG A 13 5.183 -5.092 13.183 1.00 0.00 C ATOM 199 CD ARG A 13 4.697 -4.698 14.583 1.00 0.00 C ATOM 200 NE ARG A 13 5.775 -4.070 15.365 1.00 0.00 N ATOM 201 CZ ARG A 13 5.654 -3.589 16.610 1.00 0.00 C ATOM 202 NH1 ARG A 13 4.487 -3.629 17.245 1.00 0.00 N ATOM 203 NH2 ARG A 13 6.713 -3.064 17.218 1.00 0.00 N ATOM 0 H ARG A 13 5.615 -7.709 12.033 1.00 0.00 H new ATOM 0 HA ARG A 13 3.535 -7.166 13.870 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.435 -5.817 11.298 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.198 -5.155 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.036 -5.764 13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.536 -4.201 12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.857 -4.009 14.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.332 -5.582 15.106 1.00 0.00 H new ATOM 0 HE ARG A 13 6.691 -3.995 14.922 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.669 -4.029 16.785 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.409 -3.259 18.192 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.612 -3.029 16.737 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.627 -2.696 18.166 1.00 0.00 H new ATOM 217 N ILE A 14 2.579 -8.176 10.861 1.00 0.00 N ATOM 218 CA ILE A 14 1.461 -8.744 10.117 1.00 0.00 C ATOM 219 C ILE A 14 0.842 -9.856 10.967 1.00 0.00 C ATOM 220 O ILE A 14 -0.349 -9.806 11.285 1.00 0.00 O ATOM 221 CB ILE A 14 1.944 -9.199 8.714 1.00 0.00 C ATOM 222 CG1 ILE A 14 2.221 -7.968 7.819 1.00 0.00 C ATOM 223 CG2 ILE A 14 0.932 -10.124 8.013 1.00 0.00 C ATOM 224 CD1 ILE A 14 3.096 -8.269 6.595 1.00 0.00 C ATOM 0 H ILE A 14 3.461 -8.195 10.349 1.00 0.00 H new ATOM 0 HA ILE A 14 0.677 -8.010 9.929 1.00 0.00 H new ATOM 0 HB ILE A 14 2.862 -9.767 8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.270 -7.557 7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.706 -7.198 8.419 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.319 -10.413 7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.774 -11.016 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.015 -9.599 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.243 -7.355 6.020 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.063 -8.651 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.604 -9.015 5.971 1.00 0.00 H new ATOM 236 N GLU A 15 1.652 -10.829 11.383 1.00 0.00 N ATOM 237 CA GLU A 15 1.174 -11.990 12.113 1.00 0.00 C ATOM 238 C GLU A 15 0.556 -11.598 13.461 1.00 0.00 C ATOM 239 O GLU A 15 -0.493 -12.127 13.819 1.00 0.00 O ATOM 240 CB GLU A 15 2.348 -12.968 12.284 1.00 0.00 C ATOM 241 CG GLU A 15 1.970 -14.217 13.088 1.00 0.00 C ATOM 242 CD GLU A 15 3.114 -15.246 13.103 1.00 0.00 C ATOM 243 OE1 GLU A 15 3.163 -16.123 12.210 1.00 0.00 O ATOM 244 OE2 GLU A 15 3.965 -15.207 14.020 1.00 0.00 O ATOM 0 H GLU A 15 2.659 -10.829 11.220 1.00 0.00 H new ATOM 0 HA GLU A 15 0.377 -12.474 11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.709 -13.270 11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.171 -12.456 12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.723 -13.932 14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.077 -14.671 12.659 1.00 0.00 H new ATOM 251 N THR A 16 1.175 -10.683 14.207 1.00 0.00 N ATOM 252 CA THR A 16 0.779 -10.413 15.588 1.00 0.00 C ATOM 253 C THR A 16 -0.327 -9.354 15.711 1.00 0.00 C ATOM 254 O THR A 16 -1.041 -9.359 16.717 1.00 0.00 O ATOM 255 CB THR A 16 2.014 -10.044 16.434 1.00 0.00 C ATOM 256 OG1 THR A 16 2.763 -8.993 15.858 1.00 0.00 O ATOM 257 CG2 THR A 16 2.941 -11.250 16.633 1.00 0.00 C ATOM 0 H THR A 16 1.955 -10.115 13.876 1.00 0.00 H new ATOM 0 HA THR A 16 0.344 -11.333 15.979 1.00 0.00 H new ATOM 0 HB THR A 16 1.625 -9.715 17.398 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.326 -9.348 15.139 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.801 -10.953 17.234 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.399 -12.045 17.144 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.283 -11.610 15.663 1.00 0.00 H new ATOM 265 N GLU A 17 -0.508 -8.476 14.716 1.00 0.00 N ATOM 266 CA GLU A 17 -1.384 -7.307 14.850 1.00 0.00 C ATOM 267 C GLU A 17 -2.329 -7.097 13.661 1.00 0.00 C ATOM 268 O GLU A 17 -3.229 -6.261 13.770 1.00 0.00 O ATOM 269 CB GLU A 17 -0.548 -6.037 15.110 1.00 0.00 C ATOM 270 CG GLU A 17 0.200 -6.078 16.450 1.00 0.00 C ATOM 271 CD GLU A 17 0.879 -4.734 16.755 1.00 0.00 C ATOM 272 OE1 GLU A 17 2.051 -4.542 16.363 1.00 0.00 O ATOM 273 OE2 GLU A 17 0.257 -3.871 17.417 1.00 0.00 O ATOM 0 H GLU A 17 -0.056 -8.555 13.805 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.026 -7.508 15.708 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.172 -5.910 14.302 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.204 -5.167 15.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.498 -6.325 17.250 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.950 -6.869 16.426 1.00 0.00 H new ATOM 280 N ILE A 18 -2.194 -7.850 12.561 1.00 0.00 N ATOM 281 CA ILE A 18 -3.048 -7.674 11.381 1.00 0.00 C ATOM 282 C ILE A 18 -3.907 -8.925 11.176 1.00 0.00 C ATOM 283 O ILE A 18 -5.111 -8.788 10.963 1.00 0.00 O ATOM 284 CB ILE A 18 -2.220 -7.277 10.130 1.00 0.00 C ATOM 285 CG1 ILE A 18 -1.256 -6.111 10.462 1.00 0.00 C ATOM 286 CG2 ILE A 18 -3.155 -6.889 8.971 1.00 0.00 C ATOM 287 CD1 ILE A 18 -0.545 -5.474 9.261 1.00 0.00 C ATOM 0 H ILE A 18 -1.498 -8.590 12.465 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.728 -6.839 11.547 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.625 -8.137 9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.819 -5.335 10.981 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.500 -6.476 11.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.560 -6.613 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.794 -7.736 8.720 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.774 -6.043 9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.104 -4.670 9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.053 -6.229 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.286 -5.070 8.571 1.00 0.00 H new ATOM 299 N ILE A 19 -3.339 -10.132 11.289 1.00 0.00 N ATOM 300 CA ILE A 19 -4.025 -11.368 10.901 1.00 0.00 C ATOM 301 C ILE A 19 -3.937 -12.474 11.975 1.00 0.00 C ATOM 302 O ILE A 19 -4.087 -13.650 11.659 1.00 0.00 O ATOM 303 CB ILE A 19 -3.528 -11.810 9.513 1.00 0.00 C ATOM 304 CG1 ILE A 19 -2.005 -12.016 9.546 1.00 0.00 C ATOM 305 CG2 ILE A 19 -3.940 -10.809 8.408 1.00 0.00 C ATOM 306 CD1 ILE A 19 -1.560 -12.935 8.427 1.00 0.00 C ATOM 0 H ILE A 19 -2.396 -10.278 11.650 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.094 -11.166 10.827 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.004 -12.759 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.502 -11.054 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.712 -12.438 10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.570 -11.158 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.027 -10.733 8.373 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.514 -9.830 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.479 -13.065 8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.047 -13.904 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.834 -12.498 7.467 1.00 0.00 H new ATOM 318 N VAL A 20 -3.691 -12.121 13.239 1.00 0.00 N ATOM 319 CA VAL A 20 -3.435 -13.067 14.335 1.00 0.00 C ATOM 320 C VAL A 20 -4.453 -14.218 14.449 1.00 0.00 C ATOM 321 O VAL A 20 -4.053 -15.357 14.702 1.00 0.00 O ATOM 322 CB VAL A 20 -3.267 -12.276 15.651 1.00 0.00 C ATOM 323 CG1 VAL A 20 -4.580 -11.652 16.151 1.00 0.00 C ATOM 324 CG2 VAL A 20 -2.658 -13.143 16.760 1.00 0.00 C ATOM 0 H VAL A 20 -3.663 -11.147 13.539 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.507 -13.589 14.104 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.582 -11.463 15.413 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.395 -11.110 17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.965 -10.963 15.399 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.312 -12.440 16.331 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.556 -12.551 17.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.308 -13.996 16.953 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.677 -13.499 16.446 1.00 0.00 H new ATOM 334 N ASP A 21 -5.747 -13.952 14.237 1.00 0.00 N ATOM 335 CA ASP A 21 -6.837 -14.935 14.351 1.00 0.00 C ATOM 336 C ASP A 21 -7.449 -15.261 12.973 1.00 0.00 C ATOM 337 O ASP A 21 -8.458 -15.983 12.853 1.00 0.00 O ATOM 338 CB ASP A 21 -7.917 -14.420 15.319 1.00 0.00 C ATOM 339 CG ASP A 21 -8.902 -13.434 14.663 1.00 0.00 C ATOM 340 OD1 ASP A 21 -8.453 -12.424 14.077 1.00 0.00 O ATOM 341 OD2 ASP A 21 -10.132 -13.640 14.773 1.00 0.00 O ATOM 0 H ASP A 21 -6.076 -13.023 13.974 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.419 -15.859 14.750 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.474 -15.269 15.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.434 -13.931 16.165 1.00 0.00 H new ATOM 346 N ALA A 22 -6.831 -14.696 11.931 1.00 0.00 N ATOM 347 CA ALA A 22 -7.332 -14.678 10.581 1.00 0.00 C ATOM 348 C ALA A 22 -6.525 -15.641 9.716 1.00 0.00 C ATOM 349 O ALA A 22 -5.298 -15.579 9.643 1.00 0.00 O ATOM 350 CB ALA A 22 -7.280 -13.254 10.031 1.00 0.00 C ATOM 0 H ALA A 22 -5.932 -14.223 12.024 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.371 -15.007 10.569 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.660 -13.244 9.009 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.893 -12.601 10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.250 -12.899 10.038 1.00 0.00 H new ATOM 356 N GLU A 23 -7.252 -16.478 8.988 1.00 0.00 N ATOM 357 CA GLU A 23 -6.719 -17.352 7.941 1.00 0.00 C ATOM 358 C GLU A 23 -7.718 -17.441 6.787 1.00 0.00 C ATOM 359 O GLU A 23 -7.318 -17.582 5.629 1.00 0.00 O ATOM 360 CB GLU A 23 -6.443 -18.798 8.404 1.00 0.00 C ATOM 361 CG GLU A 23 -5.741 -19.021 9.753 1.00 0.00 C ATOM 362 CD GLU A 23 -6.752 -19.047 10.907 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.633 -19.936 10.954 1.00 0.00 O ATOM 364 OE2 GLU A 23 -6.766 -18.143 11.764 1.00 0.00 O ATOM 0 H GLU A 23 -8.260 -16.573 9.110 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.771 -16.902 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.398 -19.322 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.841 -19.282 7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.190 -19.961 9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.012 -18.228 9.922 1.00 0.00 H new ATOM 371 N ASP A 24 -9.015 -17.370 7.093 1.00 0.00 N ATOM 372 CA ASP A 24 -10.091 -17.526 6.147 1.00 0.00 C ATOM 373 C ASP A 24 -10.106 -16.221 5.342 1.00 0.00 C ATOM 374 O ASP A 24 -9.765 -15.163 5.881 1.00 0.00 O ATOM 375 CB ASP A 24 -11.377 -17.802 6.953 1.00 0.00 C ATOM 376 CG ASP A 24 -11.271 -19.041 7.885 1.00 0.00 C ATOM 377 OD1 ASP A 24 -10.865 -18.928 9.076 1.00 0.00 O ATOM 378 OD2 ASP A 24 -11.614 -20.153 7.422 1.00 0.00 O ATOM 0 H ASP A 24 -9.343 -17.196 8.043 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.988 -18.358 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.615 -16.924 7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.206 -17.948 6.260 1.00 0.00 H new ATOM 383 N LYS A 25 -10.463 -16.270 4.053 1.00 0.00 N ATOM 384 CA LYS A 25 -10.300 -15.129 3.133 1.00 0.00 C ATOM 385 C LYS A 25 -10.904 -13.858 3.691 1.00 0.00 C ATOM 386 O LYS A 25 -10.294 -12.790 3.629 1.00 0.00 O ATOM 387 CB LYS A 25 -10.996 -15.390 1.786 1.00 0.00 C ATOM 388 CG LYS A 25 -10.560 -16.666 1.078 1.00 0.00 C ATOM 389 CD LYS A 25 -9.127 -16.586 0.535 1.00 0.00 C ATOM 390 CE LYS A 25 -8.704 -17.963 0.013 1.00 0.00 C ATOM 391 NZ LYS A 25 -7.564 -17.884 -0.931 1.00 0.00 N ATOM 0 H LYS A 25 -10.872 -17.096 3.616 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.224 -15.013 3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.072 -15.433 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.809 -14.543 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.635 -17.504 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.244 -16.871 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.070 -15.848 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.446 -16.258 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.432 -18.600 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.551 -18.436 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.009 -18.762 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.923 -17.757 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.959 -17.077 -0.678 1.00 0.00 H new ATOM 405 N GLU A 26 -12.119 -13.993 4.215 1.00 0.00 N ATOM 406 CA GLU A 26 -12.898 -12.855 4.639 1.00 0.00 C ATOM 407 C GLU A 26 -12.228 -12.242 5.869 1.00 0.00 C ATOM 408 O GLU A 26 -12.152 -11.021 5.988 1.00 0.00 O ATOM 409 CB GLU A 26 -14.345 -13.282 4.931 1.00 0.00 C ATOM 410 CG GLU A 26 -15.045 -13.836 3.679 1.00 0.00 C ATOM 411 CD GLU A 26 -16.507 -14.217 3.973 1.00 0.00 C ATOM 412 OE1 GLU A 26 -16.766 -15.355 4.429 1.00 0.00 O ATOM 413 OE2 GLU A 26 -17.419 -13.393 3.733 1.00 0.00 O ATOM 0 H GLU A 26 -12.581 -14.892 4.353 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.939 -12.105 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.348 -14.040 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.905 -12.428 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.015 -13.091 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.506 -14.711 3.316 1.00 0.00 H new ATOM 420 N GLU A 27 -11.680 -13.080 6.759 1.00 0.00 N ATOM 421 CA GLU A 27 -11.008 -12.618 7.959 1.00 0.00 C ATOM 422 C GLU A 27 -9.719 -11.913 7.589 1.00 0.00 C ATOM 423 O GLU A 27 -9.470 -10.832 8.111 1.00 0.00 O ATOM 424 CB GLU A 27 -10.625 -13.781 8.870 1.00 0.00 C ATOM 425 CG GLU A 27 -11.784 -14.668 9.307 1.00 0.00 C ATOM 426 CD GLU A 27 -11.249 -15.837 10.137 1.00 0.00 C ATOM 427 OE1 GLU A 27 -10.117 -16.322 9.880 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.945 -16.288 11.075 1.00 0.00 O ATOM 0 H GLU A 27 -11.695 -14.095 6.658 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.700 -11.951 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.889 -14.399 8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.139 -13.381 9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.498 -14.089 9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.318 -15.043 8.434 1.00 0.00 H new ATOM 435 N ARG A 28 -8.876 -12.505 6.727 1.00 0.00 N ATOM 436 CA ARG A 28 -7.607 -11.849 6.408 1.00 0.00 C ATOM 437 C ARG A 28 -7.849 -10.535 5.675 1.00 0.00 C ATOM 438 O ARG A 28 -7.172 -9.558 5.995 1.00 0.00 O ATOM 439 CB ARG A 28 -6.625 -12.785 5.684 1.00 0.00 C ATOM 440 CG ARG A 28 -6.003 -13.749 6.709 1.00 0.00 C ATOM 441 CD ARG A 28 -4.790 -14.527 6.193 1.00 0.00 C ATOM 442 NE ARG A 28 -5.178 -15.702 5.398 1.00 0.00 N ATOM 443 CZ ARG A 28 -4.343 -16.522 4.751 1.00 0.00 C ATOM 444 NH1 ARG A 28 -3.042 -16.258 4.702 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.842 -17.595 4.151 1.00 0.00 N ATOM 0 H ARG A 28 -9.042 -13.396 6.259 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.112 -11.600 7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.144 -13.346 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.845 -12.204 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.706 -13.180 7.590 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.765 -14.459 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.170 -13.868 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.181 -14.848 7.038 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.174 -15.910 5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.673 -15.425 5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.412 -16.889 4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.844 -17.781 4.189 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.223 -18.234 3.652 1.00 0.00 H new ATOM 459 N ALA A 29 -8.844 -10.457 4.785 1.00 0.00 N ATOM 460 CA ALA A 29 -9.218 -9.200 4.158 1.00 0.00 C ATOM 461 C ALA A 29 -9.618 -8.170 5.224 1.00 0.00 C ATOM 462 O ALA A 29 -9.110 -7.049 5.213 1.00 0.00 O ATOM 463 CB ALA A 29 -10.347 -9.450 3.153 1.00 0.00 C ATOM 0 H ALA A 29 -9.402 -11.257 4.487 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.366 -8.789 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.629 -8.509 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.007 -10.150 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.209 -9.869 3.671 1.00 0.00 H new ATOM 469 N MET A 30 -10.478 -8.547 6.177 1.00 0.00 N ATOM 470 CA MET A 30 -10.893 -7.648 7.251 1.00 0.00 C ATOM 471 C MET A 30 -9.733 -7.256 8.166 1.00 0.00 C ATOM 472 O MET A 30 -9.646 -6.094 8.551 1.00 0.00 O ATOM 473 CB MET A 30 -12.057 -8.246 8.049 1.00 0.00 C ATOM 474 CG MET A 30 -13.372 -8.270 7.258 1.00 0.00 C ATOM 475 SD MET A 30 -14.070 -6.660 6.776 1.00 0.00 S ATOM 476 CE MET A 30 -13.277 -6.365 5.166 1.00 0.00 C ATOM 0 H MET A 30 -10.900 -9.474 6.223 1.00 0.00 H new ATOM 0 HA MET A 30 -11.241 -6.729 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.801 -9.262 8.350 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.199 -7.669 8.963 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.213 -8.856 6.353 1.00 0.00 H new ATOM 0 HG3 MET A 30 -14.117 -8.799 7.853 1.00 0.00 H new ATOM 0 HE1 MET A 30 -13.986 -5.880 4.495 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.407 -5.722 5.301 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.962 -7.316 4.736 1.00 0.00 H new ATOM 486 N GLY A 31 -8.819 -8.172 8.480 1.00 0.00 N ATOM 487 CA GLY A 31 -7.665 -7.894 9.319 1.00 0.00 C ATOM 488 C GLY A 31 -6.795 -6.812 8.688 1.00 0.00 C ATOM 489 O GLY A 31 -6.473 -5.815 9.342 1.00 0.00 O ATOM 0 H GLY A 31 -8.863 -9.137 8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.995 -7.573 10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.081 -8.804 9.458 1.00 0.00 H new ATOM 493 N TRP A 32 -6.486 -6.967 7.394 1.00 0.00 N ATOM 494 CA TRP A 32 -5.774 -5.947 6.638 1.00 0.00 C ATOM 495 C TRP A 32 -6.548 -4.629 6.648 1.00 0.00 C ATOM 496 O TRP A 32 -5.966 -3.598 6.974 1.00 0.00 O ATOM 497 CB TRP A 32 -5.483 -6.430 5.210 1.00 0.00 C ATOM 498 CG TRP A 32 -4.237 -7.254 5.111 1.00 0.00 C ATOM 499 CD1 TRP A 32 -4.159 -8.601 5.069 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.858 -6.782 5.100 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.835 -8.994 5.054 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.986 -7.909 5.121 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.262 -5.505 5.095 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.592 -7.769 5.190 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -0.864 -5.354 5.127 1.00 0.00 C ATOM 506 CH2 TRP A 32 -0.029 -6.483 5.183 1.00 0.00 C ATOM 0 H TRP A 32 -6.723 -7.798 6.852 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.813 -5.765 7.120 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.329 -7.017 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.393 -5.566 4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.006 -9.271 5.050 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.524 -9.964 5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.890 -4.627 5.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.042 -8.642 5.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.430 -4.365 5.108 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.043 -6.362 5.221 1.00 0.00 H new ATOM 517 N TYR A 33 -7.849 -4.660 6.348 1.00 0.00 N ATOM 518 CA TYR A 33 -8.689 -3.470 6.265 1.00 0.00 C ATOM 519 C TYR A 33 -8.685 -2.685 7.579 1.00 0.00 C ATOM 520 O TYR A 33 -8.480 -1.469 7.558 1.00 0.00 O ATOM 521 CB TYR A 33 -10.107 -3.901 5.859 1.00 0.00 C ATOM 522 CG TYR A 33 -11.215 -2.887 6.079 1.00 0.00 C ATOM 523 CD1 TYR A 33 -11.136 -1.599 5.519 1.00 0.00 C ATOM 524 CD2 TYR A 33 -12.335 -3.241 6.854 1.00 0.00 C ATOM 525 CE1 TYR A 33 -12.165 -0.666 5.743 1.00 0.00 C ATOM 526 CE2 TYR A 33 -13.360 -2.312 7.093 1.00 0.00 C ATOM 527 CZ TYR A 33 -13.283 -1.016 6.533 1.00 0.00 C ATOM 528 OH TYR A 33 -14.267 -0.099 6.758 1.00 0.00 O ATOM 0 H TYR A 33 -8.352 -5.526 6.154 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.289 -2.793 5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.093 -4.166 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -10.359 -4.806 6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.283 -1.326 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -12.407 -4.236 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.100 0.321 5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -14.207 -2.587 7.704 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.964 -0.498 7.319 1.00 0.00 H new ATOM 538 N TYR A 34 -8.875 -3.359 8.717 1.00 0.00 N ATOM 539 CA TYR A 34 -8.970 -2.706 10.013 1.00 0.00 C ATOM 540 C TYR A 34 -7.644 -2.032 10.364 1.00 0.00 C ATOM 541 O TYR A 34 -7.638 -0.874 10.783 1.00 0.00 O ATOM 542 CB TYR A 34 -9.340 -3.729 11.101 1.00 0.00 C ATOM 543 CG TYR A 34 -10.670 -4.468 10.989 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.713 -4.033 10.141 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.860 -5.619 11.779 1.00 0.00 C ATOM 546 CE1 TYR A 34 -12.934 -4.732 10.100 1.00 0.00 C ATOM 547 CE2 TYR A 34 -12.075 -6.326 11.738 1.00 0.00 C ATOM 548 CZ TYR A 34 -13.122 -5.882 10.901 1.00 0.00 C ATOM 549 OH TYR A 34 -14.297 -6.572 10.871 1.00 0.00 O ATOM 0 H TYR A 34 -8.967 -4.374 8.759 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.751 -1.947 9.961 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.548 -4.477 11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.330 -3.210 12.060 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.573 -3.160 9.521 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.064 -5.962 12.423 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.729 -4.389 9.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.207 -7.208 12.347 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.245 -7.334 11.485 1.00 0.00 H new ATOM 559 N TYR A 35 -6.520 -2.734 10.190 1.00 0.00 N ATOM 560 CA TYR A 35 -5.218 -2.195 10.553 1.00 0.00 C ATOM 561 C TYR A 35 -4.812 -1.066 9.606 1.00 0.00 C ATOM 562 O TYR A 35 -4.242 -0.070 10.057 1.00 0.00 O ATOM 563 CB TYR A 35 -4.180 -3.320 10.536 1.00 0.00 C ATOM 564 CG TYR A 35 -2.838 -2.913 11.110 1.00 0.00 C ATOM 565 CD1 TYR A 35 -2.592 -3.056 12.490 1.00 0.00 C ATOM 566 CD2 TYR A 35 -1.827 -2.414 10.267 1.00 0.00 C ATOM 567 CE1 TYR A 35 -1.340 -2.708 13.025 1.00 0.00 C ATOM 568 CE2 TYR A 35 -0.573 -2.062 10.794 1.00 0.00 C ATOM 569 CZ TYR A 35 -0.322 -2.210 12.179 1.00 0.00 C ATOM 570 OH TYR A 35 0.891 -1.880 12.708 1.00 0.00 O ATOM 0 H TYR A 35 -6.492 -3.676 9.800 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.274 -1.776 11.558 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.566 -4.168 11.101 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.040 -3.659 9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.368 -3.434 13.139 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.016 -2.301 9.210 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.155 -2.821 14.083 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.199 -1.679 10.143 1.00 0.00 H new ATOM 0 HH TYR A 35 1.481 -1.555 11.996 1.00 0.00 H new ATOM 580 N LEU A 36 -5.108 -1.187 8.307 1.00 0.00 N ATOM 581 CA LEU A 36 -4.783 -0.152 7.339 1.00 0.00 C ATOM 582 C LEU A 36 -5.585 1.094 7.644 1.00 0.00 C ATOM 583 O LEU A 36 -4.951 2.140 7.755 1.00 0.00 O ATOM 584 CB LEU A 36 -5.000 -0.625 5.894 1.00 0.00 C ATOM 585 CG LEU A 36 -3.713 -1.160 5.234 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.851 -2.078 6.114 1.00 0.00 C ATOM 587 CD2 LEU A 36 -4.093 -1.916 3.958 1.00 0.00 C ATOM 0 H LEU A 36 -5.576 -2.001 7.907 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.722 0.081 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.759 -1.407 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.388 0.203 5.301 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.098 -0.282 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.972 -2.398 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.536 -1.536 7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.432 -2.952 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.192 -2.300 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.752 -2.747 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.606 -1.240 3.274 1.00 0.00 H new ATOM 599 N ASP A 37 -6.908 1.008 7.874 1.00 0.00 N ATOM 600 CA ASP A 37 -7.638 2.184 8.353 1.00 0.00 C ATOM 601 C ASP A 37 -6.943 2.714 9.562 1.00 0.00 C ATOM 602 O ASP A 37 -6.677 3.918 9.598 1.00 0.00 O ATOM 603 CB ASP A 37 -9.102 1.952 8.784 1.00 0.00 C ATOM 604 CG ASP A 37 -9.784 3.175 9.496 1.00 0.00 C ATOM 605 OD1 ASP A 37 -9.247 3.840 10.432 1.00 0.00 O ATOM 606 OD2 ASP A 37 -10.949 3.448 9.131 1.00 0.00 O ATOM 0 H ASP A 37 -7.471 0.168 7.741 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.656 2.856 7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.688 1.690 7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.136 1.094 9.455 1.00 0.00 H new ATOM 611 N ASP A 38 -6.636 1.865 10.553 1.00 0.00 N ATOM 612 CA ASP A 38 -6.213 2.490 11.774 1.00 0.00 C ATOM 613 C ASP A 38 -4.909 3.265 11.629 1.00 0.00 C ATOM 614 O ASP A 38 -4.797 4.355 12.194 1.00 0.00 O ATOM 615 CB ASP A 38 -6.326 1.678 13.055 1.00 0.00 C ATOM 616 CG ASP A 38 -6.466 2.703 14.216 1.00 0.00 C ATOM 617 OD1 ASP A 38 -7.022 3.820 14.000 1.00 0.00 O ATOM 618 OD2 ASP A 38 -6.034 2.391 15.348 1.00 0.00 O ATOM 0 H ASP A 38 -6.671 0.846 10.530 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.995 3.231 11.940 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.189 1.013 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.446 1.050 13.195 1.00 0.00 H new ATOM 623 N THR A 39 -4.038 2.798 10.738 1.00 0.00 N ATOM 624 CA THR A 39 -2.738 3.392 10.504 1.00 0.00 C ATOM 625 C THR A 39 -2.905 4.713 9.740 1.00 0.00 C ATOM 626 O THR A 39 -2.292 5.723 10.091 1.00 0.00 O ATOM 627 CB THR A 39 -1.896 2.375 9.716 1.00 0.00 C ATOM 628 OG1 THR A 39 -1.839 1.130 10.387 1.00 0.00 O ATOM 629 CG2 THR A 39 -0.469 2.880 9.553 1.00 0.00 C ATOM 0 H THR A 39 -4.225 1.984 10.153 1.00 0.00 H new ATOM 0 HA THR A 39 -2.232 3.625 11.441 1.00 0.00 H new ATOM 0 HB THR A 39 -2.372 2.249 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.646 0.612 10.184 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.114 2.149 8.993 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.478 3.827 9.013 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.020 3.026 10.536 1.00 0.00 H new ATOM 637 N LEU A 40 -3.741 4.705 8.700 1.00 0.00 N ATOM 638 CA LEU A 40 -4.082 5.886 7.920 1.00 0.00 C ATOM 639 C LEU A 40 -4.797 6.904 8.819 1.00 0.00 C ATOM 640 O LEU A 40 -5.656 6.550 9.638 1.00 0.00 O ATOM 641 CB LEU A 40 -5.004 5.501 6.746 1.00 0.00 C ATOM 642 CG LEU A 40 -4.439 4.467 5.747 1.00 0.00 C ATOM 643 CD1 LEU A 40 -5.582 3.854 4.930 1.00 0.00 C ATOM 644 CD2 LEU A 40 -3.413 5.036 4.772 1.00 0.00 C ATOM 0 H LEU A 40 -4.207 3.858 8.374 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.167 6.325 7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.935 5.109 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.255 6.408 6.196 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.930 3.721 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.177 3.126 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.284 3.359 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.099 4.641 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.067 4.246 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.872 5.831 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.567 5.438 5.328 1.00 0.00 H new ATOM 656 N GLU A 41 -4.509 8.185 8.598 1.00 0.00 N ATOM 657 CA GLU A 41 -5.173 9.316 9.245 1.00 0.00 C ATOM 658 C GLU A 41 -5.719 10.235 8.144 1.00 0.00 C ATOM 659 O GLU A 41 -5.379 11.416 8.046 1.00 0.00 O ATOM 660 CB GLU A 41 -4.217 9.996 10.242 1.00 0.00 C ATOM 661 CG GLU A 41 -3.917 9.114 11.465 1.00 0.00 C ATOM 662 CD GLU A 41 -5.136 8.954 12.398 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.344 9.819 13.279 1.00 0.00 O ATOM 664 OE2 GLU A 41 -5.894 7.961 12.276 1.00 0.00 O ATOM 0 H GLU A 41 -3.783 8.474 7.942 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.023 9.000 9.850 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.283 10.240 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.654 10.937 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.592 8.130 11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.090 9.548 12.026 1.00 0.00 H new ATOM 671 N PHE A 42 -6.529 9.640 7.262 1.00 0.00 N ATOM 672 CA PHE A 42 -7.233 10.319 6.178 1.00 0.00 C ATOM 673 C PHE A 42 -8.181 11.422 6.703 1.00 0.00 C ATOM 674 O PHE A 42 -8.573 11.368 7.875 1.00 0.00 O ATOM 675 CB PHE A 42 -7.949 9.255 5.321 1.00 0.00 C ATOM 676 CG PHE A 42 -8.833 8.265 6.059 1.00 0.00 C ATOM 677 CD1 PHE A 42 -10.070 8.674 6.594 1.00 0.00 C ATOM 678 CD2 PHE A 42 -8.467 6.904 6.114 1.00 0.00 C ATOM 679 CE1 PHE A 42 -10.923 7.736 7.198 1.00 0.00 C ATOM 680 CE2 PHE A 42 -9.319 5.967 6.724 1.00 0.00 C ATOM 681 CZ PHE A 42 -10.548 6.383 7.263 1.00 0.00 C ATOM 0 H PHE A 42 -6.716 8.638 7.287 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.519 10.848 5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.560 9.770 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.192 8.693 4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.363 9.712 6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.529 6.581 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.868 8.055 7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.029 4.928 6.778 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.205 5.663 7.728 1.00 0.00 H new ATOM 691 N PRO A 43 -8.601 12.400 5.871 1.00 0.00 N ATOM 692 CA PRO A 43 -8.255 12.572 4.459 1.00 0.00 C ATOM 693 C PRO A 43 -6.782 12.948 4.251 1.00 0.00 C ATOM 694 O PRO A 43 -6.159 13.554 5.125 1.00 0.00 O ATOM 695 CB PRO A 43 -9.194 13.664 3.934 1.00 0.00 C ATOM 696 CG PRO A 43 -9.497 14.501 5.173 1.00 0.00 C ATOM 697 CD PRO A 43 -9.507 13.460 6.291 1.00 0.00 C ATOM 0 HA PRO A 43 -8.379 11.635 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.720 14.259 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.102 13.240 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.739 15.266 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.455 15.014 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -9.181 13.899 7.234 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.513 13.071 6.451 1.00 0.00 H new ATOM 705 N PHE A 44 -6.230 12.589 3.089 1.00 0.00 N ATOM 706 CA PHE A 44 -4.870 12.938 2.676 1.00 0.00 C ATOM 707 C PHE A 44 -4.820 13.056 1.152 1.00 0.00 C ATOM 708 O PHE A 44 -5.728 12.593 0.470 1.00 0.00 O ATOM 709 CB PHE A 44 -3.854 11.902 3.192 1.00 0.00 C ATOM 710 CG PHE A 44 -3.964 10.488 2.635 1.00 0.00 C ATOM 711 CD1 PHE A 44 -4.763 9.524 3.274 1.00 0.00 C ATOM 712 CD2 PHE A 44 -3.222 10.114 1.501 1.00 0.00 C ATOM 713 CE1 PHE A 44 -4.856 8.217 2.762 1.00 0.00 C ATOM 714 CE2 PHE A 44 -3.316 8.813 0.979 1.00 0.00 C ATOM 715 CZ PHE A 44 -4.137 7.863 1.608 1.00 0.00 C ATOM 0 H PHE A 44 -6.729 12.034 2.393 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.597 13.899 3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.852 12.274 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.947 11.847 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.311 9.789 4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.573 10.835 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.480 7.486 3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.757 8.544 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.215 6.864 1.206 1.00 0.00 H new ATOM 725 N MET A 45 -3.780 13.673 0.594 1.00 0.00 N ATOM 726 CA MET A 45 -3.622 13.821 -0.853 1.00 0.00 C ATOM 727 C MET A 45 -2.819 12.636 -1.394 1.00 0.00 C ATOM 728 O MET A 45 -1.869 12.201 -0.742 1.00 0.00 O ATOM 729 CB MET A 45 -2.879 15.141 -1.098 1.00 0.00 C ATOM 730 CG MET A 45 -2.716 15.469 -2.581 1.00 0.00 C ATOM 731 SD MET A 45 -1.640 16.893 -2.872 1.00 0.00 S ATOM 732 CE MET A 45 -1.637 16.814 -4.674 1.00 0.00 C ATOM 0 H MET A 45 -3.020 14.086 1.134 1.00 0.00 H new ATOM 0 HA MET A 45 -4.586 13.837 -1.362 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.420 15.952 -0.610 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.895 15.089 -0.633 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.308 14.600 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.697 15.666 -3.014 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.875 17.487 -5.066 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.420 15.795 -4.993 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.614 17.113 -5.053 1.00 0.00 H new ATOM 742 N GLY A 46 -3.112 12.141 -2.599 1.00 0.00 N ATOM 743 CA GLY A 46 -2.311 11.108 -3.222 1.00 0.00 C ATOM 744 C GLY A 46 -2.393 11.189 -4.734 1.00 0.00 C ATOM 745 O GLY A 46 -3.166 11.960 -5.304 1.00 0.00 O ATOM 0 H GLY A 46 -3.907 12.448 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.273 11.208 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.653 10.128 -2.888 1.00 0.00 H new ATOM 749 N LYS A 47 -1.566 10.392 -5.394 1.00 0.00 N ATOM 750 CA LYS A 47 -1.649 10.173 -6.826 1.00 0.00 C ATOM 751 C LYS A 47 -2.331 8.825 -7.022 1.00 0.00 C ATOM 752 O LYS A 47 -1.844 7.815 -6.509 1.00 0.00 O ATOM 753 CB LYS A 47 -0.233 10.181 -7.436 1.00 0.00 C ATOM 754 CG LYS A 47 -0.268 10.307 -8.964 1.00 0.00 C ATOM 755 CD LYS A 47 -0.620 11.716 -9.472 1.00 0.00 C ATOM 756 CE LYS A 47 0.514 12.728 -9.250 1.00 0.00 C ATOM 757 NZ LYS A 47 0.242 14.028 -9.915 1.00 0.00 N ATOM 0 H LYS A 47 -0.811 9.875 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.218 10.958 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.338 11.009 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.286 9.263 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.705 10.021 -9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.995 9.598 -9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.854 11.666 -10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.519 12.067 -8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.650 12.890 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.448 12.315 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.899 14.748 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.372 13.926 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.736 14.321 -9.717 1.00 0.00 H new ATOM 771 N TRP A 48 -3.453 8.801 -7.737 1.00 0.00 N ATOM 772 CA TRP A 48 -4.067 7.563 -8.183 1.00 0.00 C ATOM 773 C TRP A 48 -3.291 7.180 -9.438 1.00 0.00 C ATOM 774 O TRP A 48 -3.476 7.787 -10.490 1.00 0.00 O ATOM 775 CB TRP A 48 -5.568 7.759 -8.461 1.00 0.00 C ATOM 776 CG TRP A 48 -6.341 6.539 -8.882 1.00 0.00 C ATOM 777 CD1 TRP A 48 -5.864 5.276 -8.957 1.00 0.00 C ATOM 778 CD2 TRP A 48 -7.747 6.439 -9.271 1.00 0.00 C ATOM 779 NE1 TRP A 48 -6.853 4.414 -9.373 1.00 0.00 N ATOM 780 CE2 TRP A 48 -8.044 5.075 -9.578 1.00 0.00 C ATOM 781 CE3 TRP A 48 -8.810 7.362 -9.375 1.00 0.00 C ATOM 782 CZ2 TRP A 48 -9.326 4.652 -9.961 1.00 0.00 C ATOM 783 CZ3 TRP A 48 -10.102 6.948 -9.753 1.00 0.00 C ATOM 784 CH2 TRP A 48 -10.362 5.597 -10.044 1.00 0.00 C ATOM 0 H TRP A 48 -3.958 9.641 -8.021 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.020 6.776 -7.430 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.031 8.162 -7.560 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.674 8.515 -9.239 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.851 4.985 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.721 3.412 -9.512 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.629 8.405 -9.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.514 3.613 -10.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.899 7.674 -9.820 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.356 5.287 -10.331 1.00 0.00 H new ATOM 795 N LYS A 49 -2.381 6.219 -9.320 1.00 0.00 N ATOM 796 CA LYS A 49 -1.538 5.693 -10.388 1.00 0.00 C ATOM 797 C LYS A 49 -2.235 4.446 -10.945 1.00 0.00 C ATOM 798 O LYS A 49 -1.776 3.319 -10.765 1.00 0.00 O ATOM 799 CB LYS A 49 -0.138 5.403 -9.815 1.00 0.00 C ATOM 800 CG LYS A 49 0.580 6.675 -9.322 1.00 0.00 C ATOM 801 CD LYS A 49 1.937 6.373 -8.669 1.00 0.00 C ATOM 802 CE LYS A 49 3.017 5.898 -9.655 1.00 0.00 C ATOM 803 NZ LYS A 49 3.645 7.009 -10.416 1.00 0.00 N ATOM 0 H LYS A 49 -2.202 5.761 -8.427 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.402 6.401 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.227 4.698 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.470 4.921 -10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.729 7.353 -10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.057 7.192 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.292 7.271 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.798 5.609 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.790 5.360 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.574 5.191 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.327 6.620 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.910 7.540 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.139 7.645 -9.758 1.00 0.00 H new ATOM 817 N LYS A 50 -3.410 4.665 -11.536 1.00 0.00 N ATOM 818 CA LYS A 50 -4.313 3.628 -12.028 1.00 0.00 C ATOM 819 C LYS A 50 -3.575 2.709 -13.003 1.00 0.00 C ATOM 820 O LYS A 50 -3.194 3.144 -14.090 1.00 0.00 O ATOM 821 CB LYS A 50 -5.539 4.306 -12.662 1.00 0.00 C ATOM 822 CG LYS A 50 -6.671 3.308 -12.939 1.00 0.00 C ATOM 823 CD LYS A 50 -7.908 4.032 -13.489 1.00 0.00 C ATOM 824 CE LYS A 50 -9.064 3.043 -13.698 1.00 0.00 C ATOM 825 NZ LYS A 50 -10.286 3.709 -14.217 1.00 0.00 N ATOM 0 H LYS A 50 -3.771 5.606 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.661 2.997 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.902 5.091 -11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.245 4.788 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.334 2.558 -13.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.930 2.780 -12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.214 4.817 -12.797 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.662 4.517 -14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.753 2.265 -14.395 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.294 2.551 -12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.039 3.003 -14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.600 4.434 -13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.075 4.157 -15.132 1.00 0.00 H new ATOM 839 N LYS A 51 -3.372 1.440 -12.649 1.00 0.00 N ATOM 840 CA LYS A 51 -2.609 0.471 -13.436 1.00 0.00 C ATOM 841 C LYS A 51 -3.528 -0.226 -14.448 1.00 0.00 C ATOM 842 O LYS A 51 -3.535 -1.455 -14.532 1.00 0.00 O ATOM 843 CB LYS A 51 -1.889 -0.488 -12.463 1.00 0.00 C ATOM 844 CG LYS A 51 -0.732 -1.250 -13.133 1.00 0.00 C ATOM 845 CD LYS A 51 0.079 -2.058 -12.111 1.00 0.00 C ATOM 846 CE LYS A 51 1.256 -2.754 -12.811 1.00 0.00 C ATOM 847 NZ LYS A 51 2.075 -3.559 -11.869 1.00 0.00 N ATOM 0 H LYS A 51 -3.743 1.047 -11.784 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.839 0.957 -14.035 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.503 0.081 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.608 -1.204 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.130 -1.921 -13.895 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.076 -0.543 -13.642 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.450 -1.400 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.560 -2.799 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.875 -3.400 -13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.887 -2.004 -13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.857 -4.010 -12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.461 -2.940 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.481 -4.292 -11.432 1.00 0.00 H new ATOM 861 N SER A 52 -4.331 0.543 -15.187 1.00 0.00 N ATOM 862 CA SER A 52 -5.402 0.002 -16.022 1.00 0.00 C ATOM 863 C SER A 52 -5.570 0.773 -17.341 1.00 0.00 C ATOM 864 O SER A 52 -6.670 0.786 -17.898 1.00 0.00 O ATOM 865 CB SER A 52 -6.715 -0.018 -15.214 1.00 0.00 C ATOM 866 OG SER A 52 -6.544 -0.500 -13.886 1.00 0.00 O ATOM 0 H SER A 52 -4.255 1.560 -15.222 1.00 0.00 H new ATOM 0 HA SER A 52 -5.131 -1.016 -16.303 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.128 0.990 -15.178 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.443 -0.643 -15.730 1.00 0.00 H new ATOM 0 HG SER A 52 -7.406 -0.489 -13.421 1.00 0.00 H new ATOM 872 N ARG A 53 -4.524 1.453 -17.843 1.00 0.00 N ATOM 873 CA ARG A 53 -4.630 2.273 -19.062 1.00 0.00 C ATOM 874 C ARG A 53 -5.172 1.462 -20.248 1.00 0.00 C ATOM 875 O ARG A 53 -6.007 1.967 -20.999 1.00 0.00 O ATOM 876 CB ARG A 53 -3.267 2.927 -19.362 1.00 0.00 C ATOM 877 CG ARG A 53 -3.219 3.849 -20.597 1.00 0.00 C ATOM 878 CD ARG A 53 -4.201 5.033 -20.562 1.00 0.00 C ATOM 879 NE ARG A 53 -5.514 4.701 -21.140 1.00 0.00 N ATOM 880 CZ ARG A 53 -6.489 5.558 -21.460 1.00 0.00 C ATOM 881 NH1 ARG A 53 -6.386 6.852 -21.176 1.00 0.00 N ATOM 882 NH2 ARG A 53 -7.577 5.100 -22.072 1.00 0.00 N ATOM 0 H ARG A 53 -3.595 1.450 -17.422 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.356 3.068 -18.894 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.963 3.505 -18.489 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.528 2.137 -19.494 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.207 4.239 -20.702 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.424 3.252 -21.486 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.335 5.358 -19.530 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.771 5.873 -21.108 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.699 3.713 -21.315 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.553 7.206 -20.706 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.140 7.491 -21.428 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.659 4.107 -22.291 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.329 5.741 -22.322 1.00 0.00 H new ATOM 896 N LYS A 54 -4.730 0.216 -20.414 1.00 0.00 N ATOM 897 CA LYS A 54 -5.304 -0.748 -21.355 1.00 0.00 C ATOM 898 C LYS A 54 -4.872 -2.103 -20.819 1.00 0.00 C ATOM 899 O LYS A 54 -5.696 -2.889 -20.354 1.00 0.00 O ATOM 900 CB LYS A 54 -4.811 -0.479 -22.794 1.00 0.00 C ATOM 901 CG LYS A 54 -5.394 -1.490 -23.797 1.00 0.00 C ATOM 902 CD LYS A 54 -4.921 -1.251 -25.239 1.00 0.00 C ATOM 903 CE LYS A 54 -5.443 0.075 -25.815 1.00 0.00 C ATOM 904 NZ LYS A 54 -5.039 0.269 -27.230 1.00 0.00 N ATOM 0 H LYS A 54 -3.944 -0.161 -19.885 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.390 -0.684 -21.425 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.092 0.531 -23.091 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.722 -0.528 -22.820 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.114 -2.498 -23.492 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.482 -1.438 -23.765 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.831 -1.252 -25.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.256 -2.075 -25.870 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.530 0.097 -25.743 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.067 0.903 -25.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.413 1.175 -27.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.001 0.274 -27.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.420 -0.507 -27.809 1.00 0.00 H new ATOM 918 N THR A 55 -3.563 -2.324 -20.832 1.00 0.00 N ATOM 919 CA THR A 55 -2.892 -3.421 -20.167 1.00 0.00 C ATOM 920 C THR A 55 -2.717 -3.008 -18.693 1.00 0.00 C ATOM 921 O THR A 55 -3.193 -1.940 -18.275 1.00 0.00 O ATOM 922 CB THR A 55 -1.558 -3.653 -20.910 1.00 0.00 C ATOM 923 OG1 THR A 55 -0.932 -2.411 -21.201 1.00 0.00 O ATOM 924 CG2 THR A 55 -1.804 -4.376 -22.239 1.00 0.00 C ATOM 0 H THR A 55 -2.916 -1.713 -21.330 1.00 0.00 H new ATOM 0 HA THR A 55 -3.444 -4.361 -20.184 1.00 0.00 H new ATOM 0 HB THR A 55 -0.920 -4.257 -20.264 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.087 -2.573 -21.670 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.854 -4.532 -22.750 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.275 -5.340 -22.047 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.458 -3.771 -22.867 1.00 0.00 H new ATOM 932 N SER A 56 -2.025 -3.829 -17.900 1.00 0.00 N ATOM 933 CA SER A 56 -1.605 -3.522 -16.536 1.00 0.00 C ATOM 934 C SER A 56 -0.511 -2.433 -16.532 1.00 0.00 C ATOM 935 O SER A 56 0.632 -2.686 -16.145 1.00 0.00 O ATOM 936 CB SER A 56 -1.154 -4.821 -15.846 1.00 0.00 C ATOM 937 OG SER A 56 -2.140 -5.836 -15.987 1.00 0.00 O ATOM 0 H SER A 56 -1.733 -4.758 -18.203 1.00 0.00 H new ATOM 0 HA SER A 56 -2.442 -3.113 -15.970 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.212 -5.160 -16.278 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.969 -4.631 -14.789 1.00 0.00 H new ATOM 0 HG SER A 56 -1.833 -6.654 -15.543 1.00 0.00 H new ATOM 943 N THR A 57 -0.854 -1.225 -16.982 1.00 0.00 N ATOM 944 CA THR A 57 0.066 -0.129 -17.258 1.00 0.00 C ATOM 945 C THR A 57 -0.494 1.141 -16.609 1.00 0.00 C ATOM 946 O THR A 57 -1.711 1.349 -16.584 1.00 0.00 O ATOM 947 CB THR A 57 0.236 -0.013 -18.787 1.00 0.00 C ATOM 948 OG1 THR A 57 0.710 -1.242 -19.305 1.00 0.00 O ATOM 949 CG2 THR A 57 1.230 1.078 -19.202 1.00 0.00 C ATOM 0 H THR A 57 -1.825 -0.976 -17.171 1.00 0.00 H new ATOM 0 HA THR A 57 1.056 -0.299 -16.836 1.00 0.00 H new ATOM 0 HB THR A 57 -0.745 0.247 -19.185 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.072 -1.587 -19.964 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.304 1.108 -20.289 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.884 2.044 -18.835 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.210 0.858 -18.778 1.00 0.00 H new ATOM 957 N ILE A 58 0.401 1.948 -16.033 1.00 0.00 N ATOM 958 CA ILE A 58 0.058 3.085 -15.188 1.00 0.00 C ATOM 959 C ILE A 58 -0.396 4.274 -16.044 1.00 0.00 C ATOM 960 O ILE A 58 0.163 4.563 -17.104 1.00 0.00 O ATOM 961 CB ILE A 58 1.278 3.480 -14.304 1.00 0.00 C ATOM 962 CG1 ILE A 58 1.838 2.314 -13.452 1.00 0.00 C ATOM 963 CG2 ILE A 58 0.981 4.680 -13.375 1.00 0.00 C ATOM 964 CD1 ILE A 58 0.957 1.888 -12.272 1.00 0.00 C ATOM 0 H ILE A 58 1.407 1.822 -16.147 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.768 2.801 -14.536 1.00 0.00 H new ATOM 0 HB ILE A 58 2.040 3.766 -15.028 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.991 1.452 -14.101 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.817 2.602 -13.069 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.867 4.910 -12.783 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.711 5.548 -13.977 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.155 4.429 -12.709 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.435 1.066 -11.739 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.823 2.731 -11.595 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.015 1.563 -12.643 1.00 0.00 H new ATOM 976 N GLU A 59 -1.381 4.988 -15.515 1.00 0.00 N ATOM 977 CA GLU A 59 -1.866 6.289 -15.936 1.00 0.00 C ATOM 978 C GLU A 59 -2.158 6.957 -14.591 1.00 0.00 C ATOM 979 O GLU A 59 -2.677 6.294 -13.688 1.00 0.00 O ATOM 980 CB GLU A 59 -3.119 6.187 -16.818 1.00 0.00 C ATOM 981 CG GLU A 59 -3.605 7.594 -17.198 1.00 0.00 C ATOM 982 CD GLU A 59 -4.811 7.582 -18.146 1.00 0.00 C ATOM 983 OE1 GLU A 59 -5.936 7.247 -17.712 1.00 0.00 O ATOM 984 OE2 GLU A 59 -4.644 7.934 -19.336 1.00 0.00 O ATOM 0 H GLU A 59 -1.903 4.639 -14.712 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.162 6.840 -16.559 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.895 5.614 -17.718 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.906 5.652 -16.287 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.870 8.137 -16.291 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.787 8.139 -17.669 1.00 0.00 H new ATOM 991 N GLU A 60 -1.805 8.230 -14.410 1.00 0.00 N ATOM 992 CA GLU A 60 -1.853 8.831 -13.085 1.00 0.00 C ATOM 993 C GLU A 60 -2.632 10.143 -13.038 1.00 0.00 C ATOM 994 O GLU A 60 -2.592 10.943 -13.976 1.00 0.00 O ATOM 995 CB GLU A 60 -0.455 8.876 -12.469 1.00 0.00 C ATOM 996 CG GLU A 60 0.499 9.831 -13.177 1.00 0.00 C ATOM 997 CD GLU A 60 1.879 9.895 -12.496 1.00 0.00 C ATOM 998 OE1 GLU A 60 2.385 8.852 -12.021 1.00 0.00 O ATOM 999 OE2 GLU A 60 2.474 10.996 -12.446 1.00 0.00 O ATOM 0 H GLU A 60 -1.488 8.853 -15.153 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.447 8.185 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.538 9.170 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.029 7.873 -12.485 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.622 9.515 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.061 10.829 -13.198 1.00 0.00 H new ATOM 1006 N LYS A 61 -3.354 10.341 -11.929 1.00 0.00 N ATOM 1007 CA LYS A 61 -4.256 11.465 -11.705 1.00 0.00 C ATOM 1008 C LYS A 61 -4.116 11.881 -10.247 1.00 0.00 C ATOM 1009 O LYS A 61 -4.052 11.023 -9.367 1.00 0.00 O ATOM 1010 CB LYS A 61 -5.687 10.998 -12.034 1.00 0.00 C ATOM 1011 CG LYS A 61 -6.747 12.100 -11.870 1.00 0.00 C ATOM 1012 CD LYS A 61 -8.108 11.700 -12.465 1.00 0.00 C ATOM 1013 CE LYS A 61 -8.734 10.473 -11.776 1.00 0.00 C ATOM 1014 NZ LYS A 61 -10.048 10.113 -12.373 1.00 0.00 N ATOM 0 H LYS A 61 -3.322 9.698 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.022 12.322 -12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.713 10.630 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.944 10.159 -11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.870 12.327 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.396 13.012 -12.353 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.794 12.543 -12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.985 11.489 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.054 9.625 -11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.862 10.679 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.134 9.078 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.814 10.495 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.116 10.514 -13.330 1.00 0.00 H new ATOM 1028 N THR A 62 -4.027 13.177 -9.978 1.00 0.00 N ATOM 1029 CA THR A 62 -3.930 13.701 -8.623 1.00 0.00 C ATOM 1030 C THR A 62 -5.302 13.589 -7.957 1.00 0.00 C ATOM 1031 O THR A 62 -6.310 13.949 -8.571 1.00 0.00 O ATOM 1032 CB THR A 62 -3.443 15.153 -8.710 1.00 0.00 C ATOM 1033 OG1 THR A 62 -2.343 15.229 -9.605 1.00 0.00 O ATOM 1034 CG2 THR A 62 -2.962 15.653 -7.357 1.00 0.00 C ATOM 0 H THR A 62 -4.020 13.898 -10.699 1.00 0.00 H new ATOM 0 HA THR A 62 -3.220 13.137 -8.017 1.00 0.00 H new ATOM 0 HB THR A 62 -4.279 15.763 -9.052 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.032 16.156 -9.663 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.623 16.685 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.780 15.603 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.137 15.030 -7.011 1.00 0.00 H new ATOM 1042 N VAL A 63 -5.365 13.110 -6.712 1.00 0.00 N ATOM 1043 CA VAL A 63 -6.621 12.896 -6.012 1.00 0.00 C ATOM 1044 C VAL A 63 -6.468 13.242 -4.529 1.00 0.00 C ATOM 1045 O VAL A 63 -5.377 13.239 -3.960 1.00 0.00 O ATOM 1046 CB VAL A 63 -7.134 11.443 -6.191 1.00 0.00 C ATOM 1047 CG1 VAL A 63 -7.272 10.994 -7.656 1.00 0.00 C ATOM 1048 CG2 VAL A 63 -6.267 10.391 -5.478 1.00 0.00 C ATOM 0 H VAL A 63 -4.541 12.861 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.367 13.559 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.122 11.491 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.636 9.967 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.977 11.646 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.300 11.051 -8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.686 9.399 -5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.252 10.428 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.248 10.599 -4.408 1.00 0.00 H new ATOM 1058 N GLU A 64 -7.593 13.536 -3.901 1.00 0.00 N ATOM 1059 CA GLU A 64 -7.736 13.658 -2.464 1.00 0.00 C ATOM 1060 C GLU A 64 -8.365 12.327 -2.045 1.00 0.00 C ATOM 1061 O GLU A 64 -9.408 11.944 -2.570 1.00 0.00 O ATOM 1062 CB GLU A 64 -8.613 14.873 -2.123 1.00 0.00 C ATOM 1063 CG GLU A 64 -8.752 15.039 -0.603 1.00 0.00 C ATOM 1064 CD GLU A 64 -9.460 16.357 -0.242 1.00 0.00 C ATOM 1065 OE1 GLU A 64 -10.710 16.398 -0.208 1.00 0.00 O ATOM 1066 OE2 GLU A 64 -8.769 17.366 0.030 1.00 0.00 O ATOM 0 H GLU A 64 -8.467 13.703 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.798 13.831 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.176 15.774 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.599 14.752 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.314 14.199 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.765 15.017 -0.142 1.00 0.00 H new ATOM 1073 N VAL A 65 -7.710 11.584 -1.163 1.00 0.00 N ATOM 1074 CA VAL A 65 -8.205 10.342 -0.592 1.00 0.00 C ATOM 1075 C VAL A 65 -9.082 10.736 0.589 1.00 0.00 C ATOM 1076 O VAL A 65 -8.598 11.346 1.545 1.00 0.00 O ATOM 1077 CB VAL A 65 -7.030 9.436 -0.161 1.00 0.00 C ATOM 1078 CG1 VAL A 65 -7.561 8.127 0.446 1.00 0.00 C ATOM 1079 CG2 VAL A 65 -6.107 9.123 -1.353 1.00 0.00 C ATOM 0 H VAL A 65 -6.786 11.840 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.780 9.765 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.451 9.971 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.722 7.498 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.174 8.353 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.163 7.600 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.289 8.484 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.676 8.611 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.702 10.052 -1.754 1.00 0.00 H new ATOM 1089 N LEU A 66 -10.372 10.413 0.513 1.00 0.00 N ATOM 1090 CA LEU A 66 -11.335 10.736 1.557 1.00 0.00 C ATOM 1091 C LEU A 66 -11.205 9.741 2.708 1.00 0.00 C ATOM 1092 O LEU A 66 -11.324 10.141 3.865 1.00 0.00 O ATOM 1093 CB LEU A 66 -12.773 10.716 0.999 1.00 0.00 C ATOM 1094 CG LEU A 66 -13.204 11.949 0.176 1.00 0.00 C ATOM 1095 CD1 LEU A 66 -13.163 13.242 1.000 1.00 0.00 C ATOM 1096 CD2 LEU A 66 -12.385 12.143 -1.104 1.00 0.00 C ATOM 0 H LEU A 66 -10.778 9.917 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.124 11.740 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -12.885 9.831 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.463 10.604 1.835 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.234 11.739 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.475 14.080 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.837 13.152 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.148 13.413 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.741 13.027 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.334 12.273 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.497 11.268 -1.744 1.00 0.00 H new ATOM 1108 N GLY A 67 -10.939 8.465 2.411 1.00 0.00 N ATOM 1109 CA GLY A 67 -10.726 7.428 3.396 1.00 0.00 C ATOM 1110 C GLY A 67 -10.812 6.066 2.731 1.00 0.00 C ATOM 1111 O GLY A 67 -10.979 5.967 1.514 1.00 0.00 O ATOM 0 H GLY A 67 -10.866 8.128 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.750 7.553 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.472 7.505 4.187 1.00 0.00 H new ATOM 1115 N MET A 68 -10.686 5.011 3.528 1.00 0.00 N ATOM 1116 CA MET A 68 -10.918 3.643 3.067 1.00 0.00 C ATOM 1117 C MET A 68 -12.372 3.497 2.609 1.00 0.00 C ATOM 1118 O MET A 68 -13.278 4.138 3.152 1.00 0.00 O ATOM 1119 CB MET A 68 -10.591 2.617 4.165 1.00 0.00 C ATOM 1120 CG MET A 68 -9.099 2.543 4.520 1.00 0.00 C ATOM 1121 SD MET A 68 -7.999 1.883 3.232 1.00 0.00 S ATOM 1122 CE MET A 68 -8.419 0.119 3.282 1.00 0.00 C ATOM 0 H MET A 68 -10.421 5.077 4.511 1.00 0.00 H new ATOM 0 HA MET A 68 -10.253 3.444 2.227 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.156 2.867 5.063 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.927 1.632 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.759 3.545 4.780 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.989 1.927 5.413 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.810 -0.421 2.557 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.226 -0.273 4.281 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.473 -0.011 3.038 1.00 0.00 H new ATOM 1132 N ALA A 69 -12.587 2.640 1.611 1.00 0.00 N ATOM 1133 CA ALA A 69 -13.911 2.257 1.137 1.00 0.00 C ATOM 1134 C ALA A 69 -14.662 1.453 2.219 1.00 0.00 C ATOM 1135 O ALA A 69 -14.039 1.022 3.196 1.00 0.00 O ATOM 1136 CB ALA A 69 -13.735 1.440 -0.147 1.00 0.00 C ATOM 0 H ALA A 69 -11.829 2.185 1.102 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.511 3.142 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.713 1.140 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.227 2.046 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.140 0.552 0.066 1.00 0.00 H new ATOM 1142 N PRO A 70 -15.980 1.222 2.063 1.00 0.00 N ATOM 1143 CA PRO A 70 -16.739 0.330 2.932 1.00 0.00 C ATOM 1144 C PRO A 70 -16.109 -1.061 3.057 1.00 0.00 C ATOM 1145 O PRO A 70 -15.434 -1.548 2.143 1.00 0.00 O ATOM 1146 CB PRO A 70 -18.141 0.243 2.316 1.00 0.00 C ATOM 1147 CG PRO A 70 -18.280 1.570 1.576 1.00 0.00 C ATOM 1148 CD PRO A 70 -16.862 1.816 1.067 1.00 0.00 C ATOM 0 HA PRO A 70 -16.759 0.722 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -18.231 -0.607 1.639 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -18.910 0.125 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -18.999 1.505 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -18.618 2.369 2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.712 1.360 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -16.665 2.882 0.955 1.00 0.00 H new ATOM 1156 N ASP A 71 -16.419 -1.746 4.158 1.00 0.00 N ATOM 1157 CA ASP A 71 -15.999 -3.126 4.398 1.00 0.00 C ATOM 1158 C ASP A 71 -16.491 -4.074 3.300 1.00 0.00 C ATOM 1159 O ASP A 71 -15.812 -5.048 2.990 1.00 0.00 O ATOM 1160 CB ASP A 71 -16.473 -3.613 5.775 1.00 0.00 C ATOM 1161 CG ASP A 71 -17.931 -4.106 5.782 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -18.852 -3.260 5.737 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -18.165 -5.331 5.872 1.00 0.00 O ATOM 0 H ASP A 71 -16.976 -1.353 4.917 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.909 -3.135 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.823 -4.421 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.369 -2.801 6.495 1.00 0.00 H new ATOM 1168 N ASP A 72 -17.630 -3.767 2.669 1.00 0.00 N ATOM 1169 CA ASP A 72 -18.191 -4.571 1.583 1.00 0.00 C ATOM 1170 C ASP A 72 -17.266 -4.605 0.363 1.00 0.00 C ATOM 1171 O ASP A 72 -17.191 -5.615 -0.336 1.00 0.00 O ATOM 1172 CB ASP A 72 -19.562 -4.020 1.180 1.00 0.00 C ATOM 1173 CG ASP A 72 -20.181 -4.844 0.038 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -20.593 -6.001 0.277 1.00 0.00 O ATOM 1175 OD2 ASP A 72 -20.311 -4.320 -1.091 1.00 0.00 O ATOM 0 H ASP A 72 -18.191 -2.947 2.901 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.297 -5.592 1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.229 -4.031 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -19.461 -2.980 0.868 1.00 0.00 H new ATOM 1180 N GLU A 73 -16.522 -3.520 0.132 1.00 0.00 N ATOM 1181 CA GLU A 73 -15.495 -3.468 -0.901 1.00 0.00 C ATOM 1182 C GLU A 73 -14.215 -4.099 -0.355 1.00 0.00 C ATOM 1183 O GLU A 73 -13.586 -4.917 -1.031 1.00 0.00 O ATOM 1184 CB GLU A 73 -15.243 -2.013 -1.339 1.00 0.00 C ATOM 1185 CG GLU A 73 -16.435 -1.357 -2.056 1.00 0.00 C ATOM 1186 CD GLU A 73 -16.661 -1.912 -3.475 1.00 0.00 C ATOM 1187 OE1 GLU A 73 -17.087 -3.080 -3.621 1.00 0.00 O ATOM 1188 OE2 GLU A 73 -16.433 -1.173 -4.460 1.00 0.00 O ATOM 0 H GLU A 73 -16.619 -2.653 0.660 1.00 0.00 H new ATOM 0 HA GLU A 73 -15.828 -4.024 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.990 -1.419 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.377 -1.989 -2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.337 -1.510 -1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.270 -0.281 -2.114 1.00 0.00 H new ATOM 1195 N CYS A 74 -13.855 -3.774 0.892 1.00 0.00 N ATOM 1196 CA CYS A 74 -12.588 -4.177 1.490 1.00 0.00 C ATOM 1197 C CYS A 74 -12.494 -5.672 1.845 1.00 0.00 C ATOM 1198 O CYS A 74 -11.514 -6.103 2.449 1.00 0.00 O ATOM 1199 CB CYS A 74 -12.232 -3.266 2.667 1.00 0.00 C ATOM 1200 SG CYS A 74 -12.149 -1.541 2.101 1.00 0.00 S ATOM 0 H CYS A 74 -14.443 -3.220 1.515 1.00 0.00 H new ATOM 0 HA CYS A 74 -11.832 -4.046 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.978 -3.365 3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -11.275 -3.565 3.095 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.353 -1.079 1.939 1.00 0.00 H new ATOM 1206 N LEU A 75 -13.494 -6.470 1.469 1.00 0.00 N ATOM 1207 CA LEU A 75 -13.483 -7.931 1.537 1.00 0.00 C ATOM 1208 C LEU A 75 -12.818 -8.550 0.300 1.00 0.00 C ATOM 1209 O LEU A 75 -12.551 -9.753 0.300 1.00 0.00 O ATOM 1210 CB LEU A 75 -14.934 -8.445 1.631 1.00 0.00 C ATOM 1211 CG LEU A 75 -15.496 -8.448 3.064 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -17.020 -8.572 3.018 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -14.913 -9.599 3.897 1.00 0.00 C ATOM 0 H LEU A 75 -14.368 -6.101 1.094 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.910 -8.223 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.572 -7.825 1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.978 -9.458 1.230 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.211 -7.509 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.416 -8.574 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.437 -7.729 2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.295 -9.502 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.333 -9.569 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.163 -10.551 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.829 -9.495 3.953 1.00 0.00 H new ATOM 1225 N LYS A 76 -12.559 -7.761 -0.750 1.00 0.00 N ATOM 1226 CA LYS A 76 -12.140 -8.267 -2.061 1.00 0.00 C ATOM 1227 C LYS A 76 -10.752 -7.761 -2.440 1.00 0.00 C ATOM 1228 O LYS A 76 -9.964 -8.511 -3.015 1.00 0.00 O ATOM 1229 CB LYS A 76 -13.173 -7.830 -3.116 1.00 0.00 C ATOM 1230 CG LYS A 76 -14.575 -8.423 -2.874 1.00 0.00 C ATOM 1231 CD LYS A 76 -15.644 -7.824 -3.801 1.00 0.00 C ATOM 1232 CE LYS A 76 -15.928 -6.356 -3.443 1.00 0.00 C ATOM 1233 NZ LYS A 76 -17.008 -5.764 -4.269 1.00 0.00 N ATOM 0 H LYS A 76 -12.635 -6.745 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.087 -9.355 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.241 -6.742 -3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.824 -8.131 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.538 -9.503 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.863 -8.251 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.311 -7.891 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.563 -8.405 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.203 -6.290 -2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.017 -5.772 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.045 -4.737 -4.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.818 -5.951 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.920 -6.188 -4.004 1.00 0.00 H new ATOM 1247 N ASP A 77 -10.441 -6.514 -2.102 1.00 0.00 N ATOM 1248 CA ASP A 77 -9.133 -5.874 -2.269 1.00 0.00 C ATOM 1249 C ASP A 77 -9.126 -4.698 -1.287 1.00 0.00 C ATOM 1250 O ASP A 77 -10.177 -4.387 -0.725 1.00 0.00 O ATOM 1251 CB ASP A 77 -8.939 -5.384 -3.718 1.00 0.00 C ATOM 1252 CG ASP A 77 -7.461 -5.288 -4.133 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -6.646 -4.724 -3.374 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -7.124 -5.770 -5.240 1.00 0.00 O ATOM 0 H ASP A 77 -11.127 -5.887 -1.682 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.317 -6.569 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.457 -6.062 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.405 -4.405 -3.829 1.00 0.00 H new ATOM 1259 N MET A 78 -8.002 -4.030 -1.047 1.00 0.00 N ATOM 1260 CA MET A 78 -8.019 -2.793 -0.271 1.00 0.00 C ATOM 1261 C MET A 78 -8.429 -1.666 -1.214 1.00 0.00 C ATOM 1262 O MET A 78 -7.828 -1.496 -2.277 1.00 0.00 O ATOM 1263 CB MET A 78 -6.654 -2.520 0.368 1.00 0.00 C ATOM 1264 CG MET A 78 -6.306 -3.537 1.461 1.00 0.00 C ATOM 1265 SD MET A 78 -7.443 -3.618 2.875 1.00 0.00 S ATOM 1266 CE MET A 78 -8.317 -5.160 2.480 1.00 0.00 C ATOM 0 H MET A 78 -7.080 -4.318 -1.373 1.00 0.00 H new ATOM 0 HA MET A 78 -8.731 -2.871 0.551 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.884 -2.542 -0.403 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.650 -1.517 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.256 -4.526 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.309 -3.308 1.836 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.970 -5.431 3.310 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.914 -5.019 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.592 -5.957 2.314 1.00 0.00 H new ATOM 1276 N TYR A 79 -9.423 -0.868 -0.820 1.00 0.00 N ATOM 1277 CA TYR A 79 -9.983 0.194 -1.644 1.00 0.00 C ATOM 1278 C TYR A 79 -10.127 1.463 -0.809 1.00 0.00 C ATOM 1279 O TYR A 79 -10.249 1.410 0.417 1.00 0.00 O ATOM 1280 CB TYR A 79 -11.359 -0.225 -2.190 1.00 0.00 C ATOM 1281 CG TYR A 79 -11.386 -1.312 -3.247 1.00 0.00 C ATOM 1282 CD1 TYR A 79 -11.135 -0.993 -4.595 1.00 0.00 C ATOM 1283 CD2 TYR A 79 -11.772 -2.620 -2.901 1.00 0.00 C ATOM 1284 CE1 TYR A 79 -11.272 -1.974 -5.593 1.00 0.00 C ATOM 1285 CE2 TYR A 79 -11.927 -3.603 -3.893 1.00 0.00 C ATOM 1286 CZ TYR A 79 -11.670 -3.285 -5.247 1.00 0.00 C ATOM 1287 OH TYR A 79 -11.802 -4.226 -6.225 1.00 0.00 O ATOM 0 H TYR A 79 -9.865 -0.946 0.096 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.314 0.382 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.969 -0.557 -1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.841 0.660 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.836 0.009 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -11.950 -2.870 -1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.073 -1.725 -6.625 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -12.242 -4.600 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.081 -5.076 -5.825 1.00 0.00 H new ATOM 1297 N VAL A 80 -10.163 2.601 -1.494 1.00 0.00 N ATOM 1298 CA VAL A 80 -10.217 3.931 -0.915 1.00 0.00 C ATOM 1299 C VAL A 80 -11.176 4.765 -1.754 1.00 0.00 C ATOM 1300 O VAL A 80 -11.206 4.642 -2.979 1.00 0.00 O ATOM 1301 CB VAL A 80 -8.809 4.569 -0.859 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -8.039 4.129 0.389 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -7.930 4.279 -2.088 1.00 0.00 C ATOM 0 H VAL A 80 -10.155 2.618 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.575 3.882 0.113 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.007 5.641 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.055 4.597 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.588 4.431 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.925 3.045 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.961 4.764 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.787 3.203 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.418 4.665 -2.983 1.00 0.00 H new ATOM 1313 N GLU A 81 -11.974 5.595 -1.093 1.00 0.00 N ATOM 1314 CA GLU A 81 -12.781 6.607 -1.754 1.00 0.00 C ATOM 1315 C GLU A 81 -11.841 7.774 -2.036 1.00 0.00 C ATOM 1316 O GLU A 81 -11.116 8.217 -1.140 1.00 0.00 O ATOM 1317 CB GLU A 81 -13.947 7.051 -0.860 1.00 0.00 C ATOM 1318 CG GLU A 81 -14.999 5.945 -0.710 1.00 0.00 C ATOM 1319 CD GLU A 81 -16.220 6.433 0.091 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -16.200 6.375 1.341 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -17.222 6.864 -0.523 1.00 0.00 O ATOM 0 H GLU A 81 -12.078 5.583 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.225 6.221 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.567 7.328 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.412 7.941 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.320 5.610 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.555 5.084 -0.210 1.00 0.00 H new ATOM 1328 N VAL A 82 -11.841 8.274 -3.268 1.00 0.00 N ATOM 1329 CA VAL A 82 -10.926 9.322 -3.701 1.00 0.00 C ATOM 1330 C VAL A 82 -11.704 10.300 -4.573 1.00 0.00 C ATOM 1331 O VAL A 82 -12.615 9.883 -5.282 1.00 0.00 O ATOM 1332 CB VAL A 82 -9.689 8.729 -4.423 1.00 0.00 C ATOM 1333 CG1 VAL A 82 -8.992 7.629 -3.606 1.00 0.00 C ATOM 1334 CG2 VAL A 82 -9.983 8.150 -5.817 1.00 0.00 C ATOM 0 H VAL A 82 -12.481 7.960 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.529 9.858 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 82 -9.036 9.594 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.134 7.252 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.656 8.040 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.692 6.814 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.063 7.757 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.715 7.347 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.380 8.935 -6.461 1.00 0.00 H new ATOM 1344 N ALA A 83 -11.357 11.581 -4.566 1.00 0.00 N ATOM 1345 CA ALA A 83 -11.984 12.592 -5.400 1.00 0.00 C ATOM 1346 C ALA A 83 -10.865 13.306 -6.126 1.00 0.00 C ATOM 1347 O ALA A 83 -9.879 13.700 -5.504 1.00 0.00 O ATOM 1348 CB ALA A 83 -12.819 13.554 -4.552 1.00 0.00 C ATOM 0 H ALA A 83 -10.618 11.951 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.674 12.145 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.279 14.302 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.597 12.997 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.176 14.049 -3.824 1.00 0.00 H new ATOM 1354 N ASP A 84 -10.960 13.399 -7.448 1.00 0.00 N ATOM 1355 CA ASP A 84 -9.844 13.917 -8.226 1.00 0.00 C ATOM 1356 C ASP A 84 -9.672 15.418 -8.022 1.00 0.00 C ATOM 1357 O ASP A 84 -10.622 16.141 -7.709 1.00 0.00 O ATOM 1358 CB ASP A 84 -9.898 13.530 -9.707 1.00 0.00 C ATOM 1359 CG ASP A 84 -10.780 14.439 -10.554 1.00 0.00 C ATOM 1360 OD1 ASP A 84 -10.387 15.598 -10.806 1.00 0.00 O ATOM 1361 OD2 ASP A 84 -11.819 13.968 -11.057 1.00 0.00 O ATOM 0 H ASP A 84 -11.779 13.129 -7.992 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.950 13.429 -7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.886 13.543 -10.112 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.262 12.506 -9.791 1.00 0.00 H new ATOM 1366 N ILE A 85 -8.433 15.858 -8.224 1.00 0.00 N ATOM 1367 CA ILE A 85 -8.016 17.253 -8.187 1.00 0.00 C ATOM 1368 C ILE A 85 -7.401 17.627 -9.554 1.00 0.00 C ATOM 1369 O ILE A 85 -6.449 18.410 -9.618 1.00 0.00 O ATOM 1370 CB ILE A 85 -7.054 17.529 -6.999 1.00 0.00 C ATOM 1371 CG1 ILE A 85 -7.288 16.683 -5.726 1.00 0.00 C ATOM 1372 CG2 ILE A 85 -7.166 19.021 -6.645 1.00 0.00 C ATOM 1373 CD1 ILE A 85 -6.215 16.917 -4.656 1.00 0.00 C ATOM 0 H ILE A 85 -7.661 15.223 -8.426 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.883 17.891 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.060 17.239 -7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.267 16.921 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.304 15.627 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.501 19.248 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.884 19.622 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.193 19.252 -6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.429 16.298 -3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.237 16.653 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.215 17.967 -4.364 1.00 0.00 H new ATOM 1385 N GLY A 86 -7.872 17.040 -10.662 1.00 0.00 N ATOM 1386 CA GLY A 86 -7.242 17.308 -11.952 1.00 0.00 C ATOM 1387 C GLY A 86 -7.833 16.590 -13.170 1.00 0.00 C ATOM 1388 O GLY A 86 -7.115 16.399 -14.154 1.00 0.00 O ATOM 0 H GLY A 86 -8.663 16.396 -10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.286 18.382 -12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.188 17.040 -11.878 1.00 0.00 H new ATOM 1392 N GLY A 87 -9.103 16.181 -13.130 1.00 0.00 N ATOM 1393 CA GLY A 87 -9.794 15.506 -14.226 1.00 0.00 C ATOM 1394 C GLY A 87 -11.249 15.965 -14.326 1.00 0.00 C ATOM 1395 O GLY A 87 -11.663 16.428 -15.390 1.00 0.00 O ATOM 0 H GLY A 87 -9.694 16.315 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.280 15.711 -15.165 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.760 14.427 -14.072 1.00 0.00 H new ATOM 1399 N LYS A 88 -12.001 15.924 -13.220 1.00 0.00 N ATOM 1400 CA LYS A 88 -13.375 16.432 -13.119 1.00 0.00 C ATOM 1401 C LYS A 88 -13.535 17.371 -11.920 1.00 0.00 C ATOM 1402 O LYS A 88 -14.496 18.139 -11.909 1.00 0.00 O ATOM 1403 CB LYS A 88 -14.377 15.265 -13.012 1.00 0.00 C ATOM 1404 CG LYS A 88 -14.416 14.305 -14.214 1.00 0.00 C ATOM 1405 CD LYS A 88 -14.943 14.966 -15.499 1.00 0.00 C ATOM 1406 CE LYS A 88 -14.973 13.993 -16.689 1.00 0.00 C ATOM 1407 NZ LYS A 88 -15.986 12.916 -16.539 1.00 0.00 N ATOM 0 H LYS A 88 -11.661 15.525 -12.345 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.585 16.999 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.140 14.688 -12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.375 15.679 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.413 13.920 -14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.046 13.450 -13.968 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.948 15.349 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.315 15.821 -15.748 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.179 14.552 -17.602 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.988 13.542 -16.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.957 12.294 -17.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.778 12.361 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.932 13.339 -16.455 1.00 0.00 H new ATOM 1421 N ASP A 89 -12.581 17.362 -10.981 1.00 0.00 N ATOM 1422 CA ASP A 89 -12.499 18.149 -9.752 1.00 0.00 C ATOM 1423 C ASP A 89 -13.642 17.869 -8.773 1.00 0.00 C ATOM 1424 O ASP A 89 -14.809 18.147 -9.047 1.00 0.00 O ATOM 1425 CB ASP A 89 -12.333 19.649 -10.025 1.00 0.00 C ATOM 1426 CG ASP A 89 -12.257 20.435 -8.706 1.00 0.00 C ATOM 1427 OD1 ASP A 89 -11.267 20.270 -7.960 1.00 0.00 O ATOM 1428 OD2 ASP A 89 -13.165 21.250 -8.428 1.00 0.00 O ATOM 0 H ASP A 89 -11.774 16.745 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 89 -11.589 17.813 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.428 19.820 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.170 20.010 -10.622 1.00 0.00 H new ATOM 1433 N ASP A 90 -13.280 17.323 -7.610 1.00 0.00 N ATOM 1434 CA ASP A 90 -14.124 17.060 -6.432 1.00 0.00 C ATOM 1435 C ASP A 90 -15.188 15.966 -6.633 1.00 0.00 C ATOM 1436 O ASP A 90 -15.814 15.521 -5.670 1.00 0.00 O ATOM 1437 CB ASP A 90 -14.720 18.366 -5.876 1.00 0.00 C ATOM 1438 CG ASP A 90 -15.415 18.167 -4.517 1.00 0.00 C ATOM 1439 OD1 ASP A 90 -14.727 17.843 -3.522 1.00 0.00 O ATOM 1440 OD2 ASP A 90 -16.641 18.404 -4.418 1.00 0.00 O ATOM 0 H ASP A 90 -12.316 17.029 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.456 16.642 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.927 19.107 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.437 18.767 -6.592 1.00 0.00 H new ATOM 1445 N ASP A 91 -15.378 15.480 -7.862 1.00 0.00 N ATOM 1446 CA ASP A 91 -16.181 14.309 -8.161 1.00 0.00 C ATOM 1447 C ASP A 91 -15.442 13.100 -7.600 1.00 0.00 C ATOM 1448 O ASP A 91 -14.220 12.993 -7.737 1.00 0.00 O ATOM 1449 CB ASP A 91 -16.381 14.156 -9.672 1.00 0.00 C ATOM 1450 CG ASP A 91 -17.241 12.919 -9.988 1.00 0.00 C ATOM 1451 OD1 ASP A 91 -18.336 12.777 -9.397 1.00 0.00 O ATOM 1452 OD2 ASP A 91 -16.853 12.111 -10.858 1.00 0.00 O ATOM 0 H ASP A 91 -14.964 15.906 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 91 -17.170 14.403 -7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -16.860 15.049 -10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -15.413 14.066 -10.164 1.00 0.00 H new ATOM 1457 N VAL A 92 -16.184 12.219 -6.940 1.00 0.00 N ATOM 1458 CA VAL A 92 -15.642 11.117 -6.152 1.00 0.00 C ATOM 1459 C VAL A 92 -15.785 9.776 -6.890 1.00 0.00 C ATOM 1460 O VAL A 92 -16.711 9.553 -7.676 1.00 0.00 O ATOM 1461 CB VAL A 92 -16.266 11.154 -4.734 1.00 0.00 C ATOM 1462 CG1 VAL A 92 -17.789 10.937 -4.734 1.00 0.00 C ATOM 1463 CG2 VAL A 92 -15.617 10.181 -3.740 1.00 0.00 C ATOM 0 H VAL A 92 -17.203 12.251 -6.937 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.566 11.233 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.057 12.168 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -18.162 10.975 -3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -18.268 11.719 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.018 9.964 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -16.110 10.268 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -15.720 9.161 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -14.560 10.423 -3.632 1.00 0.00 H new ATOM 1473 N TYR A 93 -14.836 8.894 -6.596 1.00 0.00 N ATOM 1474 CA TYR A 93 -14.609 7.584 -7.178 1.00 0.00 C ATOM 1475 C TYR A 93 -14.159 6.636 -6.055 1.00 0.00 C ATOM 1476 O TYR A 93 -13.962 7.047 -4.907 1.00 0.00 O ATOM 1477 CB TYR A 93 -13.480 7.658 -8.232 1.00 0.00 C ATOM 1478 CG TYR A 93 -13.490 8.813 -9.222 1.00 0.00 C ATOM 1479 CD1 TYR A 93 -12.922 10.047 -8.852 1.00 0.00 C ATOM 1480 CD2 TYR A 93 -13.969 8.634 -10.535 1.00 0.00 C ATOM 1481 CE1 TYR A 93 -12.841 11.097 -9.779 1.00 0.00 C ATOM 1482 CE2 TYR A 93 -13.872 9.679 -11.475 1.00 0.00 C ATOM 1483 CZ TYR A 93 -13.303 10.919 -11.100 1.00 0.00 C ATOM 1484 OH TYR A 93 -13.146 11.911 -12.018 1.00 0.00 O ATOM 0 H TYR A 93 -14.144 9.102 -5.876 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.524 7.232 -7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.530 7.686 -7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.498 6.730 -8.804 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.547 10.186 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.412 7.692 -10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.423 12.047 -9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.232 9.533 -12.483 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.351 12.440 -11.796 1.00 0.00 H new ATOM 1494 N THR A 94 -13.911 5.381 -6.419 1.00 0.00 N ATOM 1495 CA THR A 94 -13.268 4.396 -5.561 1.00 0.00 C ATOM 1496 C THR A 94 -12.071 3.865 -6.351 1.00 0.00 C ATOM 1497 O THR A 94 -12.190 3.573 -7.545 1.00 0.00 O ATOM 1498 CB THR A 94 -14.257 3.295 -5.133 1.00 0.00 C ATOM 1499 OG1 THR A 94 -15.500 3.849 -4.737 1.00 0.00 O ATOM 1500 CG2 THR A 94 -13.714 2.480 -3.955 1.00 0.00 C ATOM 0 H THR A 94 -14.157 5.015 -7.339 1.00 0.00 H new ATOM 0 HA THR A 94 -12.927 4.833 -4.622 1.00 0.00 H new ATOM 0 HB THR A 94 -14.391 2.649 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 94 -16.110 3.129 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 94 -14.437 1.712 -3.679 1.00 0.00 H new ATOM 0 HG22 THR A 94 -12.775 2.007 -4.242 1.00 0.00 H new ATOM 0 HG23 THR A 94 -13.543 3.140 -3.104 1.00 0.00 H new ATOM 1508 N ALA A 95 -10.921 3.769 -5.688 1.00 0.00 N ATOM 1509 CA ALA A 95 -9.656 3.340 -6.259 1.00 0.00 C ATOM 1510 C ALA A 95 -9.111 2.214 -5.389 1.00 0.00 C ATOM 1511 O ALA A 95 -9.415 2.143 -4.196 1.00 0.00 O ATOM 1512 CB ALA A 95 -8.687 4.529 -6.286 1.00 0.00 C ATOM 0 H ALA A 95 -10.847 3.999 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.784 2.982 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -7.735 4.213 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.110 5.329 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -8.526 4.890 -5.270 1.00 0.00 H new ATOM 1518 N LYS A 96 -8.300 1.326 -5.963 1.00 0.00 N ATOM 1519 CA LYS A 96 -7.575 0.343 -5.179 1.00 0.00 C ATOM 1520 C LYS A 96 -6.492 1.094 -4.421 1.00 0.00 C ATOM 1521 O LYS A 96 -5.800 1.931 -5.003 1.00 0.00 O ATOM 1522 CB LYS A 96 -6.934 -0.702 -6.103 1.00 0.00 C ATOM 1523 CG LYS A 96 -7.953 -1.619 -6.800 1.00 0.00 C ATOM 1524 CD LYS A 96 -7.291 -2.409 -7.940 1.00 0.00 C ATOM 1525 CE LYS A 96 -7.188 -1.557 -9.218 1.00 0.00 C ATOM 1526 NZ LYS A 96 -6.035 -1.937 -10.067 1.00 0.00 N ATOM 0 H LYS A 96 -8.133 1.272 -6.968 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.245 -0.178 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.342 -0.189 -6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.245 -1.315 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.382 -2.310 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.775 -1.022 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.296 -2.731 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.869 -3.310 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.108 -1.660 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.101 -0.506 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.042 -1.367 -10.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.150 -1.765 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.102 -2.945 -10.313 1.00 0.00 H new ATOM 1540 N LEU A 97 -6.278 0.750 -3.155 1.00 0.00 N ATOM 1541 CA LEU A 97 -5.118 1.232 -2.404 1.00 0.00 C ATOM 1542 C LEU A 97 -3.837 0.762 -3.114 1.00 0.00 C ATOM 1543 O LEU A 97 -2.818 1.447 -3.087 1.00 0.00 O ATOM 1544 CB LEU A 97 -5.182 0.708 -0.960 1.00 0.00 C ATOM 1545 CG LEU A 97 -4.100 1.291 -0.027 1.00 0.00 C ATOM 1546 CD1 LEU A 97 -4.284 2.799 0.193 1.00 0.00 C ATOM 1547 CD2 LEU A 97 -4.168 0.582 1.328 1.00 0.00 C ATOM 0 H LEU A 97 -6.895 0.136 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.116 2.321 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.164 0.936 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.086 -0.378 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.131 1.133 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.501 3.168 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.223 3.316 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.259 2.985 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.405 0.990 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.153 0.735 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.995 -0.485 1.189 1.00 0.00 H new ATOM 1559 N SER A 98 -3.922 -0.374 -3.815 1.00 0.00 N ATOM 1560 CA SER A 98 -2.891 -0.954 -4.669 1.00 0.00 C ATOM 1561 C SER A 98 -2.453 -0.026 -5.813 1.00 0.00 C ATOM 1562 O SER A 98 -1.392 -0.240 -6.401 1.00 0.00 O ATOM 1563 CB SER A 98 -3.463 -2.253 -5.252 1.00 0.00 C ATOM 1564 OG SER A 98 -4.111 -2.986 -4.225 1.00 0.00 O ATOM 0 H SER A 98 -4.767 -0.945 -3.797 1.00 0.00 H new ATOM 0 HA SER A 98 -2.001 -1.128 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.168 -2.026 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.664 -2.850 -5.691 1.00 0.00 H new ATOM 0 HG SER A 98 -4.959 -3.343 -4.563 1.00 0.00 H new ATOM 1570 N ASP A 99 -3.246 1.004 -6.120 1.00 0.00 N ATOM 1571 CA ASP A 99 -3.052 1.897 -7.256 1.00 0.00 C ATOM 1572 C ASP A 99 -2.858 3.328 -6.742 1.00 0.00 C ATOM 1573 O ASP A 99 -2.927 4.274 -7.518 1.00 0.00 O ATOM 1574 CB ASP A 99 -4.255 1.807 -8.217 1.00 0.00 C ATOM 1575 CG ASP A 99 -4.298 0.544 -9.085 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -4.101 -0.586 -8.583 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -4.638 0.669 -10.281 1.00 0.00 O ATOM 0 H ASP A 99 -4.067 1.244 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.163 1.600 -7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.173 1.859 -7.632 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.244 2.679 -8.871 1.00 0.00 H new ATOM 1582 N ILE A 100 -2.624 3.522 -5.443 1.00 0.00 N ATOM 1583 CA ILE A 100 -2.471 4.831 -4.822 1.00 0.00 C ATOM 1584 C ILE A 100 -1.070 4.936 -4.244 1.00 0.00 C ATOM 1585 O ILE A 100 -0.498 3.973 -3.729 1.00 0.00 O ATOM 1586 CB ILE A 100 -3.599 5.044 -3.778 1.00 0.00 C ATOM 1587 CG1 ILE A 100 -4.869 5.532 -4.508 1.00 0.00 C ATOM 1588 CG2 ILE A 100 -3.252 5.959 -2.583 1.00 0.00 C ATOM 1589 CD1 ILE A 100 -5.018 7.044 -4.681 1.00 0.00 C ATOM 0 H ILE A 100 -2.534 2.752 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.576 5.635 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.761 4.073 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.893 5.072 -5.496 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.738 5.164 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.114 6.034 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.409 5.538 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.988 6.951 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.948 7.260 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.035 7.522 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.177 7.429 -5.258 1.00 0.00 H new ATOM 1601 N GLU A 101 -0.551 6.153 -4.315 1.00 0.00 N ATOM 1602 CA GLU A 101 0.667 6.572 -3.645 1.00 0.00 C ATOM 1603 C GLU A 101 0.320 7.884 -2.943 1.00 0.00 C ATOM 1604 O GLU A 101 -0.321 8.749 -3.538 1.00 0.00 O ATOM 1605 CB GLU A 101 1.819 6.702 -4.654 1.00 0.00 C ATOM 1606 CG GLU A 101 3.112 7.228 -4.000 1.00 0.00 C ATOM 1607 CD GLU A 101 3.607 6.363 -2.820 1.00 0.00 C ATOM 1608 OE1 GLU A 101 3.143 6.572 -1.673 1.00 0.00 O ATOM 1609 OE2 GLU A 101 4.477 5.489 -3.041 1.00 0.00 O ATOM 0 H GLU A 101 -0.982 6.900 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 101 1.019 5.845 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.013 5.730 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.521 7.375 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.896 7.279 -4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.942 8.245 -3.647 1.00 0.00 H new ATOM 1616 N ALA A 102 0.674 8.018 -1.667 1.00 0.00 N ATOM 1617 CA ALA A 102 0.309 9.180 -0.872 1.00 0.00 C ATOM 1618 C ALA A 102 1.344 10.289 -1.070 1.00 0.00 C ATOM 1619 O ALA A 102 2.535 10.018 -1.244 1.00 0.00 O ATOM 1620 CB ALA A 102 0.207 8.777 0.599 1.00 0.00 C ATOM 0 H ALA A 102 1.221 7.323 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.660 9.560 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.066 9.647 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.554 8.005 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.169 8.392 0.938 1.00 0.00 H new ATOM 1626 N ILE A 103 0.895 11.540 -0.996 1.00 0.00 N ATOM 1627 CA ILE A 103 1.713 12.726 -1.221 1.00 0.00 C ATOM 1628 C ILE A 103 1.717 13.542 0.072 1.00 0.00 C ATOM 1629 O ILE A 103 0.657 13.831 0.631 1.00 0.00 O ATOM 1630 CB ILE A 103 1.152 13.535 -2.417 1.00 0.00 C ATOM 1631 CG1 ILE A 103 1.172 12.722 -3.735 1.00 0.00 C ATOM 1632 CG2 ILE A 103 1.934 14.847 -2.619 1.00 0.00 C ATOM 1633 CD1 ILE A 103 0.326 13.366 -4.841 1.00 0.00 C ATOM 0 H ILE A 103 -0.075 11.761 -0.772 1.00 0.00 H new ATOM 0 HA ILE A 103 2.738 12.456 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 103 0.115 13.765 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.201 12.624 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.803 11.715 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.517 15.393 -3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.857 15.458 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.982 14.620 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.377 12.754 -5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.710 13.440 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.709 14.363 -5.058 1.00 0.00 H new ATOM 1645 N ASP A 104 2.920 13.946 0.497 1.00 0.00 N ATOM 1646 CA ASP A 104 3.176 14.851 1.624 1.00 0.00 C ATOM 1647 C ASP A 104 2.371 14.482 2.881 1.00 0.00 C ATOM 1648 O ASP A 104 1.799 15.340 3.559 1.00 0.00 O ATOM 1649 CB ASP A 104 2.993 16.310 1.172 1.00 0.00 C ATOM 1650 CG ASP A 104 3.440 17.324 2.242 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.532 17.159 2.832 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.731 18.335 2.457 1.00 0.00 O ATOM 0 H ASP A 104 3.780 13.637 0.044 1.00 0.00 H new ATOM 0 HA ASP A 104 4.214 14.734 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.563 16.477 0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.944 16.482 0.930 1.00 0.00 H new ATOM 1657 N VAL A 105 2.282 13.179 3.164 1.00 0.00 N ATOM 1658 CA VAL A 105 1.466 12.640 4.248 1.00 0.00 C ATOM 1659 C VAL A 105 2.351 12.280 5.453 1.00 0.00 C ATOM 1660 O VAL A 105 3.583 12.338 5.367 1.00 0.00 O ATOM 1661 CB VAL A 105 0.595 11.489 3.691 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.320 10.143 3.538 1.00 0.00 C ATOM 1663 CG2 VAL A 105 -0.695 11.357 4.499 1.00 0.00 C ATOM 0 H VAL A 105 2.782 12.462 2.638 1.00 0.00 H new ATOM 0 HA VAL A 105 0.769 13.382 4.637 1.00 0.00 H new ATOM 0 HB VAL A 105 0.348 11.772 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.628 9.400 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.160 10.258 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.687 9.815 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.296 10.543 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.452 11.146 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.258 12.288 4.440 1.00 0.00 H new ATOM 1673 N ASP A 106 1.732 11.934 6.589 1.00 0.00 N ATOM 1674 CA ASP A 106 2.457 11.483 7.775 1.00 0.00 C ATOM 1675 C ASP A 106 3.174 10.168 7.490 1.00 0.00 C ATOM 1676 O ASP A 106 2.796 9.398 6.605 1.00 0.00 O ATOM 1677 CB ASP A 106 1.520 11.276 8.969 1.00 0.00 C ATOM 1678 CG ASP A 106 2.282 11.078 10.287 1.00 0.00 C ATOM 1679 OD1 ASP A 106 2.729 12.082 10.885 1.00 0.00 O ATOM 1680 OD2 ASP A 106 2.461 9.914 10.705 1.00 0.00 O ATOM 0 H ASP A 106 0.719 11.960 6.708 1.00 0.00 H new ATOM 0 HA ASP A 106 3.178 12.262 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.859 12.138 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 106 0.888 10.407 8.784 1.00 0.00 H new ATOM 1685 N ASP A 107 4.174 9.886 8.309 1.00 0.00 N ATOM 1686 CA ASP A 107 5.009 8.698 8.195 1.00 0.00 C ATOM 1687 C ASP A 107 4.165 7.433 8.309 1.00 0.00 C ATOM 1688 O ASP A 107 4.358 6.507 7.526 1.00 0.00 O ATOM 1689 CB ASP A 107 6.092 8.711 9.277 1.00 0.00 C ATOM 1690 CG ASP A 107 6.941 7.431 9.225 1.00 0.00 C ATOM 1691 OD1 ASP A 107 7.771 7.290 8.298 1.00 0.00 O ATOM 1692 OD2 ASP A 107 6.824 6.588 10.142 1.00 0.00 O ATOM 0 H ASP A 107 4.435 10.489 9.089 1.00 0.00 H new ATOM 0 HA ASP A 107 5.487 8.704 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.733 9.582 9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.628 8.804 10.259 1.00 0.00 H new ATOM 1697 N ASP A 108 3.193 7.402 9.227 1.00 0.00 N ATOM 1698 CA ASP A 108 2.395 6.201 9.459 1.00 0.00 C ATOM 1699 C ASP A 108 1.453 5.956 8.279 1.00 0.00 C ATOM 1700 O ASP A 108 1.312 4.824 7.818 1.00 0.00 O ATOM 1701 CB ASP A 108 1.604 6.328 10.774 1.00 0.00 C ATOM 1702 CG ASP A 108 1.437 5.002 11.537 1.00 0.00 C ATOM 1703 OD1 ASP A 108 2.337 4.133 11.490 1.00 0.00 O ATOM 1704 OD2 ASP A 108 0.439 4.867 12.279 1.00 0.00 O ATOM 0 H ASP A 108 2.943 8.195 9.818 1.00 0.00 H new ATOM 0 HA ASP A 108 3.065 5.346 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.108 7.046 11.421 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.617 6.735 10.554 1.00 0.00 H new ATOM 1709 N THR A 109 0.849 7.019 7.734 1.00 0.00 N ATOM 1710 CA THR A 109 -0.044 6.903 6.585 1.00 0.00 C ATOM 1711 C THR A 109 0.764 6.429 5.370 1.00 0.00 C ATOM 1712 O THR A 109 0.337 5.499 4.682 1.00 0.00 O ATOM 1713 CB THR A 109 -0.773 8.243 6.349 1.00 0.00 C ATOM 1714 OG1 THR A 109 -1.491 8.613 7.519 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.829 8.186 5.245 1.00 0.00 C ATOM 0 H THR A 109 0.967 7.973 8.076 1.00 0.00 H new ATOM 0 HA THR A 109 -0.820 6.159 6.769 1.00 0.00 H new ATOM 0 HB THR A 109 0.014 8.945 6.073 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.951 9.465 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.297 9.165 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.356 7.905 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.587 7.447 5.505 1.00 0.00 H new ATOM 1723 N GLN A 110 1.953 6.995 5.127 1.00 0.00 N ATOM 1724 CA GLN A 110 2.780 6.563 4.009 1.00 0.00 C ATOM 1725 C GLN A 110 3.204 5.102 4.214 1.00 0.00 C ATOM 1726 O GLN A 110 3.138 4.321 3.268 1.00 0.00 O ATOM 1727 CB GLN A 110 3.980 7.511 3.818 1.00 0.00 C ATOM 1728 CG GLN A 110 4.454 7.577 2.354 1.00 0.00 C ATOM 1729 CD GLN A 110 5.010 6.247 1.840 1.00 0.00 C ATOM 1730 OE1 GLN A 110 5.925 5.676 2.429 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.475 5.713 0.753 1.00 0.00 N ATOM 0 H GLN A 110 2.355 7.746 5.688 1.00 0.00 H new ATOM 0 HA GLN A 110 2.202 6.610 3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 110 3.705 8.511 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 110 4.805 7.179 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.620 7.883 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 110 5.222 8.345 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.716 6.193 0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.822 4.822 0.399 1.00 0.00 H new ATOM 1740 N GLU A 111 3.563 4.698 5.436 1.00 0.00 N ATOM 1741 CA GLU A 111 3.936 3.319 5.736 1.00 0.00 C ATOM 1742 C GLU A 111 2.808 2.346 5.414 1.00 0.00 C ATOM 1743 O GLU A 111 3.088 1.262 4.911 1.00 0.00 O ATOM 1744 CB GLU A 111 4.363 3.167 7.206 1.00 0.00 C ATOM 1745 CG GLU A 111 5.808 3.616 7.446 1.00 0.00 C ATOM 1746 CD GLU A 111 6.817 2.513 7.085 1.00 0.00 C ATOM 1747 OE1 GLU A 111 6.939 2.154 5.894 1.00 0.00 O ATOM 1748 OE2 GLU A 111 7.459 1.935 7.992 1.00 0.00 O ATOM 0 H GLU A 111 3.602 5.321 6.243 1.00 0.00 H new ATOM 0 HA GLU A 111 4.785 3.074 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.694 3.752 7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.255 2.125 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.015 4.506 6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.933 3.894 8.492 1.00 0.00 H new ATOM 1755 N ALA A 112 1.548 2.722 5.646 1.00 0.00 N ATOM 1756 CA ALA A 112 0.410 1.886 5.278 1.00 0.00 C ATOM 1757 C ALA A 112 0.374 1.647 3.763 1.00 0.00 C ATOM 1758 O ALA A 112 0.204 0.507 3.329 1.00 0.00 O ATOM 1759 CB ALA A 112 -0.896 2.533 5.742 1.00 0.00 C ATOM 0 H ALA A 112 1.293 3.605 6.089 1.00 0.00 H new ATOM 0 HA ALA A 112 0.522 0.922 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.736 1.898 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.878 2.652 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.005 3.510 5.271 1.00 0.00 H new ATOM 1765 N ILE A 113 0.556 2.704 2.963 1.00 0.00 N ATOM 1766 CA ILE A 113 0.600 2.590 1.506 1.00 0.00 C ATOM 1767 C ILE A 113 1.790 1.713 1.108 1.00 0.00 C ATOM 1768 O ILE A 113 1.614 0.749 0.365 1.00 0.00 O ATOM 1769 CB ILE A 113 0.641 3.993 0.847 1.00 0.00 C ATOM 1770 CG1 ILE A 113 -0.764 4.616 0.711 1.00 0.00 C ATOM 1771 CG2 ILE A 113 1.213 4.000 -0.569 1.00 0.00 C ATOM 1772 CD1 ILE A 113 -1.195 5.321 1.982 1.00 0.00 C ATOM 0 H ILE A 113 0.676 3.656 3.308 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.307 2.109 1.141 1.00 0.00 H new ATOM 0 HB ILE A 113 1.283 4.560 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.768 5.325 -0.117 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.485 3.836 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.207 5.018 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 113 2.236 3.625 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.605 3.362 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.189 5.745 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.217 4.607 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.489 6.119 2.213 1.00 0.00 H new ATOM 1784 N ALA A 114 2.990 2.029 1.601 1.00 0.00 N ATOM 1785 CA ALA A 114 4.210 1.336 1.212 1.00 0.00 C ATOM 1786 C ALA A 114 4.111 -0.149 1.553 1.00 0.00 C ATOM 1787 O ALA A 114 4.416 -1.000 0.723 1.00 0.00 O ATOM 1788 CB ALA A 114 5.416 1.970 1.913 1.00 0.00 C ATOM 0 H ALA A 114 3.138 2.774 2.282 1.00 0.00 H new ATOM 0 HA ALA A 114 4.342 1.430 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.325 1.447 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.492 3.019 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.289 1.896 2.993 1.00 0.00 H new ATOM 1794 N ASP A 115 3.638 -0.463 2.758 1.00 0.00 N ATOM 1795 CA ASP A 115 3.519 -1.842 3.223 1.00 0.00 C ATOM 1796 C ASP A 115 2.495 -2.630 2.414 1.00 0.00 C ATOM 1797 O ASP A 115 2.697 -3.807 2.113 1.00 0.00 O ATOM 1798 CB ASP A 115 3.140 -1.893 4.702 1.00 0.00 C ATOM 1799 CG ASP A 115 3.295 -3.322 5.227 1.00 0.00 C ATOM 1800 OD1 ASP A 115 4.441 -3.824 5.187 1.00 0.00 O ATOM 1801 OD2 ASP A 115 2.303 -3.895 5.727 1.00 0.00 O ATOM 0 H ASP A 115 3.327 0.231 3.438 1.00 0.00 H new ATOM 0 HA ASP A 115 4.497 -2.302 3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.774 -1.215 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.112 -1.556 4.835 1.00 0.00 H new ATOM 1806 N TRP A 116 1.408 -1.968 2.014 1.00 0.00 N ATOM 1807 CA TRP A 116 0.412 -2.585 1.156 1.00 0.00 C ATOM 1808 C TRP A 116 1.000 -2.858 -0.231 1.00 0.00 C ATOM 1809 O TRP A 116 0.776 -3.928 -0.797 1.00 0.00 O ATOM 1810 CB TRP A 116 -0.844 -1.713 1.065 1.00 0.00 C ATOM 1811 CG TRP A 116 -1.909 -2.350 0.234 1.00 0.00 C ATOM 1812 CD1 TRP A 116 -2.318 -1.930 -0.984 1.00 0.00 C ATOM 1813 CD2 TRP A 116 -2.609 -3.608 0.482 1.00 0.00 C ATOM 1814 NE1 TRP A 116 -3.216 -2.837 -1.505 1.00 0.00 N ATOM 1815 CE2 TRP A 116 -3.420 -3.899 -0.653 1.00 0.00 C ATOM 1816 CE3 TRP A 116 -2.612 -4.553 1.532 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 -4.193 -5.063 -0.739 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 -3.386 -5.727 1.454 1.00 0.00 C ATOM 1819 CH2 TRP A 116 -4.172 -5.987 0.318 1.00 0.00 C ATOM 0 H TRP A 116 1.201 -1.004 2.274 1.00 0.00 H new ATOM 0 HA TRP A 116 0.120 -3.539 1.594 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -1.229 -1.527 2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -0.583 -0.744 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -1.992 -1.024 -1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -3.673 -2.734 -2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -2.010 -4.372 2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.801 -5.249 -1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -3.376 -6.432 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.757 -6.893 0.259 1.00 0.00 H new ATOM 1830 N LEU A 117 1.789 -1.924 -0.771 1.00 0.00 N ATOM 1831 CA LEU A 117 2.466 -2.110 -2.048 1.00 0.00 C ATOM 1832 C LEU A 117 3.495 -3.241 -1.958 1.00 0.00 C ATOM 1833 O LEU A 117 3.659 -3.964 -2.942 1.00 0.00 O ATOM 1834 CB LEU A 117 3.109 -0.797 -2.525 1.00 0.00 C ATOM 1835 CG LEU A 117 2.087 0.283 -2.943 1.00 0.00 C ATOM 1836 CD1 LEU A 117 2.802 1.623 -3.140 1.00 0.00 C ATOM 1837 CD2 LEU A 117 1.336 -0.088 -4.229 1.00 0.00 C ATOM 0 H LEU A 117 1.973 -1.022 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 117 1.723 -2.399 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.737 -0.400 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.764 -1.010 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 117 1.351 0.359 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.077 2.382 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.280 1.921 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.558 1.521 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.630 0.704 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.049 -0.210 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.795 -1.022 -4.078 1.00 0.00 H new ATOM 1849 N TYR A 118 4.143 -3.455 -0.804 1.00 0.00 N ATOM 1850 CA TYR A 118 4.993 -4.626 -0.607 1.00 0.00 C ATOM 1851 C TYR A 118 4.141 -5.889 -0.742 1.00 0.00 C ATOM 1852 O TYR A 118 4.447 -6.739 -1.571 1.00 0.00 O ATOM 1853 CB TYR A 118 5.706 -4.636 0.758 1.00 0.00 C ATOM 1854 CG TYR A 118 6.552 -3.441 1.167 1.00 0.00 C ATOM 1855 CD1 TYR A 118 7.133 -2.572 0.222 1.00 0.00 C ATOM 1856 CD2 TYR A 118 6.770 -3.215 2.541 1.00 0.00 C ATOM 1857 CE1 TYR A 118 7.883 -1.462 0.653 1.00 0.00 C ATOM 1858 CE2 TYR A 118 7.529 -2.121 2.980 1.00 0.00 C ATOM 1859 CZ TYR A 118 8.085 -1.229 2.033 1.00 0.00 C ATOM 1860 OH TYR A 118 8.810 -0.146 2.434 1.00 0.00 O ATOM 0 H TYR A 118 4.092 -2.832 0.002 1.00 0.00 H new ATOM 0 HA TYR A 118 5.771 -4.591 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 118 4.943 -4.774 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.348 -5.516 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.003 -2.758 -0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.346 -3.894 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 118 8.306 -0.785 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.688 -1.960 4.036 1.00 0.00 H new ATOM 0 HH TYR A 118 8.856 -0.127 3.413 1.00 0.00 H new ATOM 1870 N TRP A 119 3.055 -6.008 0.029 1.00 0.00 N ATOM 1871 CA TRP A 119 2.187 -7.184 0.024 1.00 0.00 C ATOM 1872 C TRP A 119 1.640 -7.474 -1.381 1.00 0.00 C ATOM 1873 O TRP A 119 1.636 -8.629 -1.819 1.00 0.00 O ATOM 1874 CB TRP A 119 1.070 -6.966 1.055 1.00 0.00 C ATOM 1875 CG TRP A 119 -0.106 -7.888 0.960 1.00 0.00 C ATOM 1876 CD1 TRP A 119 -1.130 -7.739 0.093 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.424 -9.081 1.742 1.00 0.00 C ATOM 1878 NE1 TRP A 119 -2.035 -8.761 0.258 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -1.661 -9.611 1.269 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.192 -9.773 2.806 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -2.246 -10.763 1.805 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.429 -10.886 3.407 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.643 -11.388 2.906 1.00 0.00 C ATOM 0 H TRP A 119 2.753 -5.282 0.679 1.00 0.00 H new ATOM 0 HA TRP A 119 2.759 -8.069 0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.500 -7.061 2.052 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.711 -5.941 0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -1.224 -6.936 -0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -2.880 -8.874 -0.302 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.156 -9.444 3.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -3.151 -11.166 1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 0.032 -11.358 4.262 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.107 -12.248 3.365 1.00 0.00 H new ATOM 1894 N LEU A 120 1.237 -6.432 -2.115 1.00 0.00 N ATOM 1895 CA LEU A 120 0.811 -6.534 -3.505 1.00 0.00 C ATOM 1896 C LEU A 120 1.922 -7.166 -4.345 1.00 0.00 C ATOM 1897 O LEU A 120 1.686 -8.158 -5.033 1.00 0.00 O ATOM 1898 CB LEU A 120 0.467 -5.121 -4.007 1.00 0.00 C ATOM 1899 CG LEU A 120 0.014 -5.049 -5.477 1.00 0.00 C ATOM 1900 CD1 LEU A 120 -1.385 -5.648 -5.661 1.00 0.00 C ATOM 1901 CD2 LEU A 120 0.032 -3.583 -5.922 1.00 0.00 C ATOM 0 H LEU A 120 1.199 -5.481 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 120 -0.069 -7.171 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.322 -4.710 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.341 -4.483 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 120 0.698 -5.635 -6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.674 -5.581 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -1.377 -6.693 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.100 -5.096 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.287 -3.515 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.647 -3.004 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.042 -3.186 -5.825 1.00 0.00 H new ATOM 1913 N ALA A 121 3.142 -6.627 -4.255 1.00 0.00 N ATOM 1914 CA ALA A 121 4.294 -7.113 -5.003 1.00 0.00 C ATOM 1915 C ALA A 121 4.727 -8.526 -4.583 1.00 0.00 C ATOM 1916 O ALA A 121 5.356 -9.220 -5.384 1.00 0.00 O ATOM 1917 CB ALA A 121 5.449 -6.119 -4.849 1.00 0.00 C ATOM 0 H ALA A 121 3.354 -5.832 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 121 4.004 -7.187 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 121 6.314 -6.477 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 121 5.146 -5.146 -5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 121 5.710 -6.025 -3.795 1.00 0.00 H new ATOM 1923 N ARG A 122 4.390 -8.990 -3.369 1.00 0.00 N ATOM 1924 CA ARG A 122 4.662 -10.371 -2.953 1.00 0.00 C ATOM 1925 C ARG A 122 3.738 -11.361 -3.653 1.00 0.00 C ATOM 1926 O ARG A 122 4.013 -12.559 -3.602 1.00 0.00 O ATOM 1927 CB ARG A 122 4.562 -10.534 -1.424 1.00 0.00 C ATOM 1928 CG ARG A 122 5.675 -9.773 -0.689 1.00 0.00 C ATOM 1929 CD ARG A 122 5.596 -9.928 0.829 1.00 0.00 C ATOM 1930 NE ARG A 122 6.101 -11.235 1.271 1.00 0.00 N ATOM 1931 CZ ARG A 122 6.053 -11.715 2.519 1.00 0.00 C ATOM 1932 NH1 ARG A 122 5.468 -11.027 3.488 1.00 0.00 N ATOM 1933 NH2 ARG A 122 6.607 -12.888 2.797 1.00 0.00 N ATOM 0 H ARG A 122 3.927 -8.425 -2.657 1.00 0.00 H new ATOM 0 HA ARG A 122 5.686 -10.593 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.591 -10.174 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.617 -11.592 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.644 -10.131 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.616 -8.715 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.173 -9.135 1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.562 -9.809 1.153 1.00 0.00 H new ATOM 0 HE ARG A 122 6.527 -11.831 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.047 -10.120 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.438 -11.404 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 122 7.068 -13.422 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.572 -13.256 3.748 1.00 0.00 H new ATOM 1947 N GLY A 123 2.665 -10.902 -4.299 1.00 0.00 N ATOM 1948 CA GLY A 123 1.635 -11.793 -4.800 1.00 0.00 C ATOM 1949 C GLY A 123 0.837 -12.381 -3.637 1.00 0.00 C ATOM 1950 O GLY A 123 0.457 -13.551 -3.704 1.00 0.00 O ATOM 0 H GLY A 123 2.493 -9.914 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.969 -11.250 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.089 -12.595 -5.382 1.00 0.00 H new ATOM 1954 N TYR A 124 0.579 -11.561 -2.602 1.00 0.00 N ATOM 1955 CA TYR A 124 -0.254 -11.842 -1.435 1.00 0.00 C ATOM 1956 C TYR A 124 0.236 -13.033 -0.593 1.00 0.00 C ATOM 1957 O TYR A 124 1.223 -13.700 -0.915 1.00 0.00 O ATOM 1958 CB TYR A 124 -1.707 -12.020 -1.915 1.00 0.00 C ATOM 1959 CG TYR A 124 -2.546 -10.769 -2.074 1.00 0.00 C ATOM 1960 CD1 TYR A 124 -2.079 -9.667 -2.818 1.00 0.00 C ATOM 1961 CD2 TYR A 124 -3.837 -10.735 -1.512 1.00 0.00 C ATOM 1962 CE1 TYR A 124 -2.900 -8.545 -3.016 1.00 0.00 C ATOM 1963 CE2 TYR A 124 -4.665 -9.621 -1.711 1.00 0.00 C ATOM 1964 CZ TYR A 124 -4.215 -8.535 -2.493 1.00 0.00 C ATOM 1965 OH TYR A 124 -5.072 -7.510 -2.745 1.00 0.00 O ATOM 0 H TYR A 124 0.977 -10.623 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.188 -10.996 -0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -1.684 -12.535 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -2.216 -12.680 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -1.084 -9.685 -3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -4.191 -11.570 -0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -2.529 -7.693 -3.566 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -5.648 -9.594 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 124 -4.983 -6.830 -2.045 1.00 0.00 H new ATOM 1975 N LYS A 125 -0.472 -13.295 0.514 1.00 0.00 N ATOM 1976 CA LYS A 125 -0.312 -14.505 1.333 1.00 0.00 C ATOM 1977 C LYS A 125 -1.666 -15.155 1.649 1.00 0.00 C ATOM 1978 O LYS A 125 -1.679 -16.227 2.258 1.00 0.00 O ATOM 1979 CB LYS A 125 0.466 -14.232 2.639 1.00 0.00 C ATOM 1980 CG LYS A 125 1.754 -13.407 2.474 1.00 0.00 C ATOM 1981 CD LYS A 125 2.463 -13.162 3.818 1.00 0.00 C ATOM 1982 CE LYS A 125 3.232 -14.393 4.322 1.00 0.00 C ATOM 1983 NZ LYS A 125 3.783 -14.187 5.686 1.00 0.00 N ATOM 0 H LYS A 125 -1.185 -12.660 0.872 1.00 0.00 H new ATOM 0 HA LYS A 125 0.277 -15.201 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.193 -13.712 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.722 -15.187 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.432 -13.926 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.514 -12.449 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 125 3.155 -12.327 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.724 -12.871 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.569 -15.258 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.046 -14.619 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.378 -14.999 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.356 -13.319 5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.001 -14.098 6.366 1.00 0.00 H new ATOM 1997 N PHE A 126 -2.791 -14.543 1.250 1.00 0.00 N ATOM 1998 CA PHE A 126 -4.130 -15.123 1.343 1.00 0.00 C ATOM 1999 C PHE A 126 -4.707 -15.252 -0.060 1.00 0.00 C ATOM 2000 O PHE A 126 -5.518 -16.177 -0.267 1.00 0.00 O ATOM 2001 CB PHE A 126 -5.050 -14.355 2.317 1.00 0.00 C ATOM 2002 CG PHE A 126 -5.739 -13.076 1.856 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -6.818 -13.130 0.951 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -5.392 -11.837 2.431 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -7.510 -11.957 0.595 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -6.080 -10.663 2.075 1.00 0.00 C ATOM 2007 CZ PHE A 126 -7.139 -10.722 1.153 1.00 0.00 C ATOM 2008 OXT PHE A 126 -4.323 -14.462 -0.949 1.00 0.00 O ATOM 0 H PHE A 126 -2.790 -13.607 0.844 1.00 0.00 H new ATOM 0 HA PHE A 126 -4.057 -16.119 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -5.829 -15.045 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -4.457 -14.106 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -7.116 -14.078 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -4.590 -11.788 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -8.328 -12.006 -0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -5.795 -9.717 2.510 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.666 -9.821 0.874 1.00 0.00 H new TER 2018 PHE A 126 HETATM 2019 CA CA A 127 -7.360 5.631 11.749 1.00 0.00 CA HETATM 2020 CA CA A 128 -9.804 -18.298 11.700 1.00 0.00 CA