USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 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 -173:sc= 0 (180deg=-0.04) USER MOD Set 1.2: A 74 CYS SG : rot 82:sc= 0.146 USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 THR OG1 : rot -143:sc= 0.742 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 62 THR OG1 : rot -170:sc= 0.99 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.00818 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -99:sc= 1.31 USER MOD Single : A 12 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A 16 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.24) USER MOD Single : A 30 MET CE :methyl 139:sc= -0.192 (180deg=-0.78) 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 95:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.259 (180deg=-0.412) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0.548 (180deg=0.546) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -169:sc= 0 (180deg=-0.0158) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.856) USER MOD Single : A 98 SER OG : rot 146:sc= 2.03 USER MOD Single : A 109 THR OG1 : rot -27:sc= 0.746 USER MOD Single : A 110 GLN : amide:sc= 0.475 X(o=0.48,f=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 11:sc= 0.957 USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= 0.927 (180deg=0.864) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.450 1.359 1.637 1.00 0.00 N ATOM 2 CA MET A 1 11.021 1.740 1.527 1.00 0.00 C ATOM 3 C MET A 1 10.901 3.173 0.998 1.00 0.00 C ATOM 4 O MET A 1 11.640 4.065 1.421 1.00 0.00 O ATOM 5 CB MET A 1 10.286 1.569 2.877 1.00 0.00 C ATOM 6 CG MET A 1 8.796 1.942 2.807 1.00 0.00 C ATOM 7 SD MET A 1 7.865 1.656 4.338 1.00 0.00 S ATOM 8 CE MET A 1 6.273 2.378 3.852 1.00 0.00 C ATOM 0 H1 MET A 1 12.604 0.841 2.526 1.00 0.00 H new ATOM 0 H2 MET A 1 12.710 0.753 0.833 1.00 0.00 H new ATOM 0 H3 MET A 1 13.039 2.216 1.629 1.00 0.00 H new ATOM 0 HA MET A 1 10.537 1.070 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.380 0.534 3.206 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.774 2.188 3.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.712 2.995 2.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.331 1.371 2.004 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.567 2.292 4.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.412 3.430 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.882 1.847 2.984 1.00 0.00 H new ATOM 20 N ALA A 2 9.952 3.411 0.083 1.00 0.00 N ATOM 21 CA ALA A 2 9.562 4.746 -0.367 1.00 0.00 C ATOM 22 C ALA A 2 8.691 5.404 0.716 1.00 0.00 C ATOM 23 O ALA A 2 7.479 5.558 0.555 1.00 0.00 O ATOM 24 CB ALA A 2 8.859 4.649 -1.729 1.00 0.00 C ATOM 0 H ALA A 2 9.426 2.664 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 2 10.437 5.380 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.570 5.646 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.538 4.206 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.970 4.026 -1.636 1.00 0.00 H new ATOM 30 N SER A 3 9.298 5.770 1.842 1.00 0.00 N ATOM 31 CA SER A 3 8.644 6.309 3.035 1.00 0.00 C ATOM 32 C SER A 3 8.188 7.771 2.869 1.00 0.00 C ATOM 33 O SER A 3 7.996 8.485 3.854 1.00 0.00 O ATOM 34 CB SER A 3 9.599 6.150 4.227 1.00 0.00 C ATOM 35 OG SER A 3 10.127 4.833 4.281 1.00 0.00 O ATOM 0 H SER A 3 10.309 5.696 1.954 1.00 0.00 H new ATOM 0 HA SER A 3 7.728 5.744 3.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.414 6.870 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.070 6.372 5.154 1.00 0.00 H new ATOM 0 HG SER A 3 10.734 4.755 5.047 1.00 0.00 H new ATOM 41 N VAL A 4 8.027 8.227 1.623 1.00 0.00 N ATOM 42 CA VAL A 4 7.475 9.533 1.271 1.00 0.00 C ATOM 43 C VAL A 4 6.099 9.758 1.912 1.00 0.00 C ATOM 44 O VAL A 4 5.768 10.894 2.250 1.00 0.00 O ATOM 45 CB VAL A 4 7.444 9.706 -0.263 1.00 0.00 C ATOM 46 CG1 VAL A 4 8.818 10.160 -0.769 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.013 8.466 -1.048 1.00 0.00 C ATOM 0 H VAL A 4 8.287 7.676 0.805 1.00 0.00 H new ATOM 0 HA VAL A 4 8.129 10.304 1.678 1.00 0.00 H new ATOM 0 HB VAL A 4 6.679 10.461 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.786 10.279 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.080 11.112 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.567 9.412 -0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.023 8.689 -2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.702 7.647 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.006 8.177 -0.748 1.00 0.00 H new ATOM 57 N GLU A 5 5.331 8.690 2.143 1.00 0.00 N ATOM 58 CA GLU A 5 4.110 8.710 2.934 1.00 0.00 C ATOM 59 C GLU A 5 4.013 7.376 3.676 1.00 0.00 C ATOM 60 O GLU A 5 4.622 6.380 3.268 1.00 0.00 O ATOM 61 CB GLU A 5 2.882 9.028 2.059 1.00 0.00 C ATOM 62 CG GLU A 5 2.319 10.425 2.379 1.00 0.00 C ATOM 63 CD GLU A 5 1.462 10.475 3.654 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.726 9.727 4.620 1.00 0.00 O ATOM 65 OE2 GLU A 5 0.485 11.260 3.690 1.00 0.00 O ATOM 0 H GLU A 5 5.552 7.766 1.773 1.00 0.00 H new ATOM 0 HA GLU A 5 4.135 9.511 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.159 8.977 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.111 8.276 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.148 11.125 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.718 10.766 1.536 1.00 0.00 H new ATOM 72 N ARG A 6 3.243 7.381 4.763 1.00 0.00 N ATOM 73 CA ARG A 6 3.158 6.333 5.775 1.00 0.00 C ATOM 74 C ARG A 6 2.959 4.929 5.213 1.00 0.00 C ATOM 75 O ARG A 6 3.637 4.002 5.656 1.00 0.00 O ATOM 76 CB ARG A 6 2.080 6.734 6.804 1.00 0.00 C ATOM 77 CG ARG A 6 0.629 6.647 6.285 1.00 0.00 C ATOM 78 CD ARG A 6 -0.326 7.599 7.012 1.00 0.00 C ATOM 79 NE ARG A 6 -0.196 8.973 6.499 1.00 0.00 N ATOM 80 CZ ARG A 6 -0.961 10.018 6.822 1.00 0.00 C ATOM 81 NH1 ARG A 6 -1.859 9.932 7.802 1.00 0.00 N ATOM 82 NH2 ARG A 6 -0.817 11.151 6.146 1.00 0.00 N ATOM 0 H ARG A 6 2.625 8.165 4.972 1.00 0.00 H new ATOM 0 HA ARG A 6 4.126 6.261 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.177 6.093 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.273 7.755 7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.616 6.873 5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.269 5.624 6.398 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.353 7.256 6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.115 7.585 8.081 1.00 0.00 H new ATOM 0 HE ARG A 6 0.554 9.143 5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.969 9.059 8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.436 10.739 8.037 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.131 11.212 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.393 11.960 6.378 1.00 0.00 H new ATOM 96 N ASP A 7 2.044 4.770 4.258 1.00 0.00 N ATOM 97 CA ASP A 7 1.631 3.490 3.689 1.00 0.00 C ATOM 98 C ASP A 7 0.743 3.761 2.469 1.00 0.00 C ATOM 99 O ASP A 7 0.664 4.894 1.986 1.00 0.00 O ATOM 100 CB ASP A 7 0.929 2.582 4.733 1.00 0.00 C ATOM 101 CG ASP A 7 -0.591 2.776 4.848 1.00 0.00 C ATOM 102 OD1 ASP A 7 -1.055 3.933 4.797 1.00 0.00 O ATOM 103 OD2 ASP A 7 -1.314 1.763 4.980 1.00 0.00 O ATOM 0 H ASP A 7 1.551 5.561 3.844 1.00 0.00 H new ATOM 0 HA ASP A 7 2.516 2.937 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.129 1.541 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.378 2.763 5.710 1.00 0.00 H new ATOM 108 N GLU A 8 0.104 2.721 1.938 1.00 0.00 N ATOM 109 CA GLU A 8 -0.738 2.728 0.747 1.00 0.00 C ATOM 110 C GLU A 8 -2.065 3.477 0.941 1.00 0.00 C ATOM 111 O GLU A 8 -2.891 3.439 0.029 1.00 0.00 O ATOM 112 CB GLU A 8 -0.999 1.271 0.312 1.00 0.00 C ATOM 113 CG GLU A 8 0.285 0.519 -0.074 1.00 0.00 C ATOM 114 CD GLU A 8 -0.018 -0.930 -0.495 1.00 0.00 C ATOM 115 OE1 GLU A 8 -0.286 -1.185 -1.691 1.00 0.00 O ATOM 116 OE2 GLU A 8 0.029 -1.840 0.365 1.00 0.00 O ATOM 0 H GLU A 8 0.165 1.792 2.356 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.202 3.271 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.495 0.739 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.684 1.268 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.782 1.041 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.975 0.518 0.770 1.00 0.00 H new ATOM 123 N THR A 9 -2.311 4.173 2.057 1.00 0.00 N ATOM 124 CA THR A 9 -3.480 5.033 2.202 1.00 0.00 C ATOM 125 C THR A 9 -3.561 6.031 1.046 1.00 0.00 C ATOM 126 O THR A 9 -4.629 6.231 0.467 1.00 0.00 O ATOM 127 CB THR A 9 -3.405 5.786 3.542 1.00 0.00 C ATOM 128 OG1 THR A 9 -2.079 6.087 3.931 1.00 0.00 O ATOM 129 CG2 THR A 9 -4.117 5.032 4.668 1.00 0.00 C ATOM 0 H THR A 9 -1.706 4.153 2.878 1.00 0.00 H new ATOM 0 HA THR A 9 -4.376 4.412 2.185 1.00 0.00 H new ATOM 0 HB THR A 9 -3.924 6.729 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.772 5.426 4.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.038 5.601 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.168 4.902 4.411 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.653 4.055 4.802 1.00 0.00 H new ATOM 137 N ARG A 10 -2.417 6.606 0.658 1.00 0.00 N ATOM 138 CA ARG A 10 -2.352 7.530 -0.477 1.00 0.00 C ATOM 139 C ARG A 10 -2.843 6.851 -1.745 1.00 0.00 C ATOM 140 O ARG A 10 -3.648 7.417 -2.475 1.00 0.00 O ATOM 141 CB ARG A 10 -0.915 8.040 -0.680 1.00 0.00 C ATOM 142 CG ARG A 10 -0.490 9.076 0.366 1.00 0.00 C ATOM 143 CD ARG A 10 -1.149 10.439 0.118 1.00 0.00 C ATOM 144 NE ARG A 10 -0.846 11.384 1.199 1.00 0.00 N ATOM 145 CZ ARG A 10 -1.024 12.705 1.184 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.530 13.329 0.123 1.00 0.00 N ATOM 147 NH2 ARG A 10 -0.668 13.380 2.268 1.00 0.00 N ATOM 0 H ARG A 10 -1.520 6.446 1.117 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.998 8.380 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.228 7.195 -0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.829 8.480 -1.674 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.757 8.719 1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.594 9.188 0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.801 10.846 -0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.228 10.313 0.034 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.457 10.987 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.792 12.795 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.656 14.341 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.275 12.887 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.787 14.393 2.300 1.00 0.00 H new ATOM 161 N GLU A 11 -2.382 5.631 -1.996 1.00 0.00 N ATOM 162 CA GLU A 11 -2.688 4.905 -3.221 1.00 0.00 C ATOM 163 C GLU A 11 -4.167 4.514 -3.246 1.00 0.00 C ATOM 164 O GLU A 11 -4.793 4.574 -4.303 1.00 0.00 O ATOM 165 CB GLU A 11 -1.728 3.711 -3.343 1.00 0.00 C ATOM 166 CG GLU A 11 -0.318 4.244 -3.657 1.00 0.00 C ATOM 167 CD GLU A 11 0.802 3.239 -3.363 1.00 0.00 C ATOM 168 OE1 GLU A 11 0.916 2.210 -4.069 1.00 0.00 O ATOM 169 OE2 GLU A 11 1.599 3.517 -2.437 1.00 0.00 O ATOM 0 H GLU A 11 -1.782 5.116 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.533 5.533 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.718 3.138 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.062 3.036 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.273 4.527 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.144 5.149 -3.075 1.00 0.00 H new ATOM 176 N HIS A 12 -4.757 4.214 -2.086 1.00 0.00 N ATOM 177 CA HIS A 12 -6.202 4.006 -1.973 1.00 0.00 C ATOM 178 C HIS A 12 -6.981 5.297 -2.258 1.00 0.00 C ATOM 179 O HIS A 12 -7.990 5.254 -2.966 1.00 0.00 O ATOM 180 CB HIS A 12 -6.575 3.440 -0.594 1.00 0.00 C ATOM 181 CG HIS A 12 -6.186 1.993 -0.411 1.00 0.00 C ATOM 182 ND1 HIS A 12 -4.920 1.509 -0.174 1.00 0.00 N ATOM 183 CD2 HIS A 12 -7.025 0.910 -0.453 1.00 0.00 C ATOM 184 CE1 HIS A 12 -4.990 0.172 -0.075 1.00 0.00 C ATOM 185 NE2 HIS A 12 -6.260 -0.246 -0.237 1.00 0.00 N ATOM 0 H HIS A 12 -4.251 4.109 -1.206 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.484 3.273 -2.729 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.091 4.038 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.651 3.540 -0.448 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -4.073 2.070 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.091 0.941 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.147 -0.477 0.109 1.00 0.00 H new ATOM 193 N ARG A 13 -6.540 6.456 -1.753 1.00 0.00 N ATOM 194 CA ARG A 13 -7.206 7.733 -2.041 1.00 0.00 C ATOM 195 C ARG A 13 -7.102 8.066 -3.529 1.00 0.00 C ATOM 196 O ARG A 13 -8.094 8.459 -4.136 1.00 0.00 O ATOM 197 CB ARG A 13 -6.616 8.866 -1.181 1.00 0.00 C ATOM 198 CG ARG A 13 -6.918 8.744 0.326 1.00 0.00 C ATOM 199 CD ARG A 13 -8.401 8.897 0.696 1.00 0.00 C ATOM 200 NE ARG A 13 -8.921 10.232 0.363 1.00 0.00 N ATOM 201 CZ ARG A 13 -8.880 11.332 1.121 1.00 0.00 C ATOM 202 NH1 ARG A 13 -8.330 11.328 2.333 1.00 0.00 N ATOM 203 NH2 ARG A 13 -9.409 12.439 0.622 1.00 0.00 N ATOM 0 H ARG A 13 -5.726 6.536 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.261 7.635 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.535 8.888 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.004 9.819 -1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.568 7.773 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.344 9.501 0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.985 8.140 0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.528 8.715 1.763 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.363 10.329 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.925 10.470 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.314 12.183 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.827 12.430 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.398 13.300 1.168 1.00 0.00 H new ATOM 217 N ILE A 14 -5.930 7.863 -4.133 1.00 0.00 N ATOM 218 CA ILE A 14 -5.710 8.039 -5.565 1.00 0.00 C ATOM 219 C ILE A 14 -6.699 7.148 -6.327 1.00 0.00 C ATOM 220 O ILE A 14 -7.424 7.632 -7.200 1.00 0.00 O ATOM 221 CB ILE A 14 -4.220 7.738 -5.873 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.328 8.882 -5.332 1.00 0.00 C ATOM 223 CG2 ILE A 14 -3.958 7.505 -7.371 1.00 0.00 C ATOM 224 CD1 ILE A 14 -1.858 8.499 -5.128 1.00 0.00 C ATOM 0 H ILE A 14 -5.094 7.566 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.899 9.062 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.965 6.807 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.379 9.723 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.736 9.226 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.899 7.299 -7.527 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.548 6.656 -7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.241 8.395 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.307 9.359 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.791 7.680 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.428 8.185 -6.079 1.00 0.00 H new ATOM 236 N GLU A 15 -6.769 5.864 -5.970 1.00 0.00 N ATOM 237 CA GLU A 15 -7.639 4.891 -6.614 1.00 0.00 C ATOM 238 C GLU A 15 -9.114 5.306 -6.541 1.00 0.00 C ATOM 239 O GLU A 15 -9.843 5.120 -7.514 1.00 0.00 O ATOM 240 CB GLU A 15 -7.392 3.511 -5.980 1.00 0.00 C ATOM 241 CG GLU A 15 -8.339 2.429 -6.512 1.00 0.00 C ATOM 242 CD GLU A 15 -7.961 1.035 -5.979 1.00 0.00 C ATOM 243 OE1 GLU A 15 -7.125 0.345 -6.605 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.516 0.602 -4.944 1.00 0.00 O ATOM 0 H GLU A 15 -6.212 5.470 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.400 4.841 -7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.362 3.209 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.508 3.588 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.363 2.665 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.310 2.423 -7.602 1.00 0.00 H new ATOM 251 N THR A 16 -9.555 5.873 -5.417 1.00 0.00 N ATOM 252 CA THR A 16 -10.968 6.148 -5.165 1.00 0.00 C ATOM 253 C THR A 16 -11.399 7.567 -5.577 1.00 0.00 C ATOM 254 O THR A 16 -12.603 7.808 -5.692 1.00 0.00 O ATOM 255 CB THR A 16 -11.310 5.830 -3.695 1.00 0.00 C ATOM 256 OG1 THR A 16 -10.402 6.424 -2.788 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.315 4.318 -3.436 1.00 0.00 C ATOM 0 H THR A 16 -8.939 6.155 -4.654 1.00 0.00 H new ATOM 0 HA THR A 16 -11.550 5.487 -5.807 1.00 0.00 H new ATOM 0 HB THR A 16 -12.304 6.245 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.525 5.996 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.560 4.129 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.059 3.842 -4.075 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.330 3.908 -3.658 1.00 0.00 H new ATOM 265 N GLU A 17 -10.462 8.492 -5.839 1.00 0.00 N ATOM 266 CA GLU A 17 -10.800 9.902 -6.076 1.00 0.00 C ATOM 267 C GLU A 17 -10.099 10.531 -7.287 1.00 0.00 C ATOM 268 O GLU A 17 -10.520 11.608 -7.714 1.00 0.00 O ATOM 269 CB GLU A 17 -10.535 10.746 -4.814 1.00 0.00 C ATOM 270 CG GLU A 17 -11.384 10.317 -3.609 1.00 0.00 C ATOM 271 CD GLU A 17 -11.309 11.353 -2.478 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.269 11.426 -1.787 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.295 12.094 -2.257 1.00 0.00 O ATOM 0 H GLU A 17 -9.464 8.287 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.864 9.905 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.480 10.673 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.736 11.794 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.421 10.188 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.038 9.350 -3.243 1.00 0.00 H new ATOM 280 N ILE A 18 -9.077 9.893 -7.872 1.00 0.00 N ATOM 281 CA ILE A 18 -8.277 10.494 -8.949 1.00 0.00 C ATOM 282 C ILE A 18 -8.346 9.618 -10.204 1.00 0.00 C ATOM 283 O ILE A 18 -8.537 10.149 -11.297 1.00 0.00 O ATOM 284 CB ILE A 18 -6.832 10.776 -8.461 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.866 11.685 -7.205 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.987 11.415 -9.579 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.496 12.118 -6.674 1.00 0.00 C ATOM 0 H ILE A 18 -8.782 8.951 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.692 11.463 -9.226 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.364 9.829 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.446 12.578 -7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.396 11.160 -6.411 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.978 11.603 -9.211 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.942 10.739 -10.433 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.442 12.357 -9.886 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.629 12.750 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.916 11.236 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.967 12.677 -7.446 1.00 0.00 H new ATOM 299 N ILE A 19 -8.279 8.290 -10.063 1.00 0.00 N ATOM 300 CA ILE A 19 -8.330 7.351 -11.190 1.00 0.00 C ATOM 301 C ILE A 19 -9.513 6.377 -11.076 1.00 0.00 C ATOM 302 O ILE A 19 -9.558 5.370 -11.777 1.00 0.00 O ATOM 303 CB ILE A 19 -6.970 6.668 -11.383 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.575 5.901 -10.113 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.915 7.703 -11.821 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.322 5.081 -10.346 1.00 0.00 C ATOM 0 H ILE A 19 -8.187 7.832 -9.156 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.523 7.912 -12.104 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.036 5.930 -12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.409 6.603 -9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.392 5.246 -9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.953 7.208 -11.955 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.222 8.160 -12.762 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.822 8.474 -11.056 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.062 4.547 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.500 4.364 -11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.502 5.742 -10.626 1.00 0.00 H new ATOM 318 N VAL A 20 -10.491 6.681 -10.221 1.00 0.00 N ATOM 319 CA VAL A 20 -11.708 5.883 -10.059 1.00 0.00 C ATOM 320 C VAL A 20 -12.464 5.715 -11.390 1.00 0.00 C ATOM 321 O VAL A 20 -13.083 4.677 -11.627 1.00 0.00 O ATOM 322 CB VAL A 20 -12.563 6.506 -8.934 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.118 7.900 -9.275 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.701 5.582 -8.484 1.00 0.00 C ATOM 0 H VAL A 20 -10.460 7.500 -9.613 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.450 4.867 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.868 6.633 -8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.708 8.272 -8.437 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.291 8.583 -9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.749 7.834 -10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.272 6.067 -7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.357 5.375 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.284 4.647 -8.110 1.00 0.00 H new ATOM 334 N ASP A 21 -12.383 6.714 -12.278 1.00 0.00 N ATOM 335 CA ASP A 21 -13.070 6.735 -13.571 1.00 0.00 C ATOM 336 C ASP A 21 -12.201 6.129 -14.691 1.00 0.00 C ATOM 337 O ASP A 21 -12.527 6.253 -15.873 1.00 0.00 O ATOM 338 CB ASP A 21 -13.471 8.187 -13.885 1.00 0.00 C ATOM 339 CG ASP A 21 -14.390 8.307 -15.115 1.00 0.00 C ATOM 340 OD1 ASP A 21 -15.451 7.642 -15.157 1.00 0.00 O ATOM 341 OD2 ASP A 21 -14.097 9.124 -16.018 1.00 0.00 O ATOM 0 H ASP A 21 -11.823 7.550 -12.111 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.964 6.114 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.976 8.614 -13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.571 8.778 -14.052 1.00 0.00 H new ATOM 346 N ALA A 22 -11.079 5.488 -14.343 1.00 0.00 N ATOM 347 CA ALA A 22 -10.049 5.046 -15.274 1.00 0.00 C ATOM 348 C ALA A 22 -9.627 3.601 -14.995 1.00 0.00 C ATOM 349 O ALA A 22 -9.838 3.076 -13.900 1.00 0.00 O ATOM 350 CB ALA A 22 -8.843 5.978 -15.128 1.00 0.00 C ATOM 0 H ALA A 22 -10.862 5.258 -13.373 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.444 5.081 -16.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.057 5.667 -15.816 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.143 7.000 -15.358 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.469 5.932 -14.105 1.00 0.00 H new ATOM 356 N GLU A 23 -8.985 2.973 -15.982 1.00 0.00 N ATOM 357 CA GLU A 23 -8.423 1.635 -15.864 1.00 0.00 C ATOM 358 C GLU A 23 -7.198 1.487 -16.775 1.00 0.00 C ATOM 359 O GLU A 23 -6.194 0.921 -16.342 1.00 0.00 O ATOM 360 CB GLU A 23 -9.506 0.596 -16.217 1.00 0.00 C ATOM 361 CG GLU A 23 -9.062 -0.864 -16.036 1.00 0.00 C ATOM 362 CD GLU A 23 -8.749 -1.210 -14.570 1.00 0.00 C ATOM 363 OE1 GLU A 23 -7.629 -0.909 -14.100 1.00 0.00 O ATOM 364 OE2 GLU A 23 -9.614 -1.802 -13.883 1.00 0.00 O ATOM 0 H GLU A 23 -8.841 3.392 -16.901 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.094 1.466 -14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.383 0.777 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.813 0.745 -17.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.846 -1.526 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.178 -1.049 -16.646 1.00 0.00 H new ATOM 371 N ASP A 24 -7.239 2.010 -18.005 1.00 0.00 N ATOM 372 CA ASP A 24 -6.116 1.906 -18.940 1.00 0.00 C ATOM 373 C ASP A 24 -5.096 2.997 -18.614 1.00 0.00 C ATOM 374 O ASP A 24 -5.419 3.973 -17.939 1.00 0.00 O ATOM 375 CB ASP A 24 -6.590 2.024 -20.399 1.00 0.00 C ATOM 376 CG ASP A 24 -5.704 1.233 -21.380 1.00 0.00 C ATOM 377 OD1 ASP A 24 -4.458 1.273 -21.259 1.00 0.00 O ATOM 378 OD2 ASP A 24 -6.257 0.565 -22.283 1.00 0.00 O ATOM 0 H ASP A 24 -8.045 2.513 -18.377 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.652 0.926 -18.830 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.616 1.665 -20.473 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.598 3.074 -20.690 1.00 0.00 H new ATOM 383 N LYS A 25 -3.876 2.882 -19.126 1.00 0.00 N ATOM 384 CA LYS A 25 -2.789 3.824 -18.858 1.00 0.00 C ATOM 385 C LYS A 25 -3.146 5.244 -19.292 1.00 0.00 C ATOM 386 O LYS A 25 -2.831 6.198 -18.584 1.00 0.00 O ATOM 387 CB LYS A 25 -1.493 3.330 -19.520 1.00 0.00 C ATOM 388 CG LYS A 25 -1.527 3.345 -21.061 1.00 0.00 C ATOM 389 CD LYS A 25 -0.496 2.396 -21.687 1.00 0.00 C ATOM 390 CE LYS A 25 -0.817 0.911 -21.438 1.00 0.00 C ATOM 391 NZ LYS A 25 -1.996 0.427 -22.202 1.00 0.00 N ATOM 0 H LYS A 25 -3.607 2.121 -19.749 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.629 3.866 -17.781 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.664 3.951 -19.180 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.290 2.314 -19.182 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.524 3.066 -21.401 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.342 4.359 -21.414 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.449 2.577 -22.761 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.490 2.622 -21.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.052 0.309 -21.705 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.995 0.759 -20.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.048 -0.610 -22.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.862 0.842 -21.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.904 0.709 -23.199 1.00 0.00 H new ATOM 405 N GLU A 26 -3.826 5.377 -20.434 1.00 0.00 N ATOM 406 CA GLU A 26 -4.202 6.672 -20.980 1.00 0.00 C ATOM 407 C GLU A 26 -5.280 7.284 -20.088 1.00 0.00 C ATOM 408 O GLU A 26 -5.211 8.462 -19.749 1.00 0.00 O ATOM 409 CB GLU A 26 -4.713 6.522 -22.424 1.00 0.00 C ATOM 410 CG GLU A 26 -3.665 5.925 -23.375 1.00 0.00 C ATOM 411 CD GLU A 26 -4.166 5.914 -24.831 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.836 4.940 -25.242 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.884 6.871 -25.588 1.00 0.00 O ATOM 0 H GLU A 26 -4.129 4.586 -21.002 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.331 7.327 -21.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.599 5.888 -22.425 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.020 7.499 -22.798 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.743 6.503 -23.311 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.427 4.908 -23.063 1.00 0.00 H new ATOM 420 N GLU A 27 -6.252 6.477 -19.654 1.00 0.00 N ATOM 421 CA GLU A 27 -7.330 6.935 -18.790 1.00 0.00 C ATOM 422 C GLU A 27 -6.766 7.324 -17.427 1.00 0.00 C ATOM 423 O GLU A 27 -7.146 8.354 -16.877 1.00 0.00 O ATOM 424 CB GLU A 27 -8.373 5.827 -18.604 1.00 0.00 C ATOM 425 CG GLU A 27 -8.991 5.303 -19.905 1.00 0.00 C ATOM 426 CD GLU A 27 -9.984 4.162 -19.626 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.684 3.309 -18.761 1.00 0.00 O ATOM 428 OE2 GLU A 27 -11.054 4.112 -20.277 1.00 0.00 O ATOM 0 H GLU A 27 -6.309 5.488 -19.895 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.805 7.799 -19.255 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.908 4.994 -18.078 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.172 6.202 -17.964 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.502 6.116 -20.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.202 4.949 -20.569 1.00 0.00 H new ATOM 435 N ARG A 28 -5.852 6.518 -16.873 1.00 0.00 N ATOM 436 CA ARG A 28 -5.243 6.805 -15.572 1.00 0.00 C ATOM 437 C ARG A 28 -4.460 8.116 -15.644 1.00 0.00 C ATOM 438 O ARG A 28 -4.580 8.942 -14.738 1.00 0.00 O ATOM 439 CB ARG A 28 -4.360 5.627 -15.120 1.00 0.00 C ATOM 440 CG ARG A 28 -5.184 4.401 -14.675 1.00 0.00 C ATOM 441 CD ARG A 28 -4.273 3.194 -14.411 1.00 0.00 C ATOM 442 NE ARG A 28 -5.031 2.005 -13.977 1.00 0.00 N ATOM 443 CZ ARG A 28 -5.041 1.450 -12.756 1.00 0.00 C ATOM 444 NH1 ARG A 28 -4.309 1.957 -11.765 1.00 0.00 N ATOM 445 NH2 ARG A 28 -5.788 0.378 -12.521 1.00 0.00 N ATOM 0 H ARG A 28 -5.518 5.659 -17.309 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.025 6.926 -14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.700 5.338 -15.938 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.724 5.950 -14.296 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.744 4.643 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.913 4.149 -15.445 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.717 2.956 -15.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.541 3.454 -13.647 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.612 1.555 -14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.729 2.780 -11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.329 1.522 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.354 -0.023 -13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.796 -0.045 -11.593 1.00 0.00 H new ATOM 459 N ALA A 29 -3.723 8.347 -16.734 1.00 0.00 N ATOM 460 CA ALA A 29 -3.040 9.611 -16.960 1.00 0.00 C ATOM 461 C ALA A 29 -4.043 10.767 -17.022 1.00 0.00 C ATOM 462 O ALA A 29 -3.816 11.805 -16.403 1.00 0.00 O ATOM 463 CB ALA A 29 -2.229 9.533 -18.253 1.00 0.00 C ATOM 0 H ALA A 29 -3.587 7.663 -17.478 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.363 9.800 -16.127 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.718 10.481 -18.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.493 8.733 -18.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.897 9.328 -19.090 1.00 0.00 H new ATOM 469 N MET A 30 -5.162 10.596 -17.733 1.00 0.00 N ATOM 470 CA MET A 30 -6.198 11.619 -17.809 1.00 0.00 C ATOM 471 C MET A 30 -6.841 11.874 -16.447 1.00 0.00 C ATOM 472 O MET A 30 -7.103 13.030 -16.131 1.00 0.00 O ATOM 473 CB MET A 30 -7.251 11.276 -18.870 1.00 0.00 C ATOM 474 CG MET A 30 -6.726 11.402 -20.307 1.00 0.00 C ATOM 475 SD MET A 30 -6.067 13.029 -20.782 1.00 0.00 S ATOM 476 CE MET A 30 -4.289 12.787 -20.487 1.00 0.00 C ATOM 0 H MET A 30 -5.370 9.751 -18.266 1.00 0.00 H new ATOM 0 HA MET A 30 -5.713 12.545 -18.117 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.603 10.257 -18.707 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.111 11.934 -18.745 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.941 10.659 -20.451 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.536 11.147 -20.991 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.720 13.250 -21.293 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.012 13.245 -19.538 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.068 11.720 -20.453 1.00 0.00 H new ATOM 486 N GLY A 31 -7.041 10.850 -15.614 1.00 0.00 N ATOM 487 CA GLY A 31 -7.562 11.013 -14.263 1.00 0.00 C ATOM 488 C GLY A 31 -6.677 11.961 -13.454 1.00 0.00 C ATOM 489 O GLY A 31 -7.166 12.953 -12.907 1.00 0.00 O ATOM 0 H GLY A 31 -6.844 9.881 -15.863 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.579 11.403 -14.305 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.613 10.043 -13.768 1.00 0.00 H new ATOM 493 N TRP A 32 -5.362 11.713 -13.458 1.00 0.00 N ATOM 494 CA TRP A 32 -4.391 12.608 -12.841 1.00 0.00 C ATOM 495 C TRP A 32 -4.458 14.010 -13.445 1.00 0.00 C ATOM 496 O TRP A 32 -4.554 14.990 -12.703 1.00 0.00 O ATOM 497 CB TRP A 32 -2.977 12.032 -12.991 1.00 0.00 C ATOM 498 CG TRP A 32 -2.603 11.011 -11.969 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.407 9.689 -12.173 1.00 0.00 C ATOM 500 CD2 TRP A 32 -2.337 11.245 -10.557 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.021 9.089 -10.990 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.968 10.006 -9.957 1.00 0.00 C ATOM 503 CE3 TRP A 32 -2.360 12.390 -9.730 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.634 9.920 -8.599 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -2.022 12.310 -8.367 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.651 11.077 -7.804 1.00 0.00 C ATOM 0 H TRP A 32 -4.947 10.887 -13.889 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.636 12.691 -11.782 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.886 11.585 -13.981 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.260 12.851 -12.944 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.533 9.180 -13.117 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.803 8.097 -10.892 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.642 13.343 -10.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.365 8.968 -8.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.048 13.198 -7.752 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.379 11.020 -6.760 1.00 0.00 H new ATOM 517 N TYR A 33 -4.419 14.111 -14.776 1.00 0.00 N ATOM 518 CA TYR A 33 -4.335 15.382 -15.474 1.00 0.00 C ATOM 519 C TYR A 33 -5.559 16.243 -15.165 1.00 0.00 C ATOM 520 O TYR A 33 -5.401 17.410 -14.813 1.00 0.00 O ATOM 521 CB TYR A 33 -4.168 15.120 -16.979 1.00 0.00 C ATOM 522 CG TYR A 33 -4.404 16.330 -17.860 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.592 17.471 -17.740 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.482 16.332 -18.764 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.872 18.620 -18.499 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.783 17.484 -19.510 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.973 18.637 -19.386 1.00 0.00 C ATOM 528 OH TYR A 33 -5.245 19.761 -20.106 1.00 0.00 O ATOM 0 H TYR A 33 -4.445 13.303 -15.398 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.465 15.941 -15.130 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.160 14.746 -17.160 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.859 14.331 -17.276 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.751 17.465 -17.063 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.082 15.442 -18.885 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.244 19.493 -18.404 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.632 17.489 -20.177 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.033 19.607 -20.668 1.00 0.00 H new ATOM 538 N TYR A 34 -6.767 15.676 -15.237 1.00 0.00 N ATOM 539 CA TYR A 34 -8.002 16.404 -14.991 1.00 0.00 C ATOM 540 C TYR A 34 -8.075 16.857 -13.535 1.00 0.00 C ATOM 541 O TYR A 34 -8.458 17.996 -13.277 1.00 0.00 O ATOM 542 CB TYR A 34 -9.220 15.520 -15.316 1.00 0.00 C ATOM 543 CG TYR A 34 -9.398 15.031 -16.749 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.700 15.601 -17.835 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.307 13.981 -16.989 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.919 15.137 -19.145 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.529 13.509 -18.295 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.837 14.088 -19.382 1.00 0.00 C ATOM 549 OH TYR A 34 -10.059 13.623 -20.644 1.00 0.00 O ATOM 0 H TYR A 34 -6.910 14.693 -15.469 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.013 17.281 -15.638 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.177 14.644 -14.669 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.117 16.075 -15.041 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.993 16.398 -17.659 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.838 13.534 -16.162 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.385 15.583 -19.971 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.228 12.704 -18.467 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.720 12.900 -20.615 1.00 0.00 H new ATOM 559 N TYR A 35 -7.707 15.992 -12.583 1.00 0.00 N ATOM 560 CA TYR A 35 -7.780 16.323 -11.167 1.00 0.00 C ATOM 561 C TYR A 35 -6.849 17.496 -10.847 1.00 0.00 C ATOM 562 O TYR A 35 -7.265 18.464 -10.207 1.00 0.00 O ATOM 563 CB TYR A 35 -7.439 15.077 -10.340 1.00 0.00 C ATOM 564 CG TYR A 35 -7.571 15.276 -8.843 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.847 15.409 -8.262 1.00 0.00 C ATOM 566 CD2 TYR A 35 -6.423 15.323 -8.029 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.976 15.595 -6.874 1.00 0.00 C ATOM 568 CE2 TYR A 35 -6.543 15.515 -6.642 1.00 0.00 C ATOM 569 CZ TYR A 35 -7.824 15.652 -6.056 1.00 0.00 C ATOM 570 OH TYR A 35 -7.962 15.828 -4.711 1.00 0.00 O ATOM 0 H TYR A 35 -7.355 15.054 -12.776 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.791 16.637 -10.909 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.092 14.260 -10.647 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.418 14.771 -10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.729 15.368 -8.884 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.445 15.211 -8.473 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.956 15.694 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.658 15.558 -6.024 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.077 15.844 -4.291 1.00 0.00 H new ATOM 580 N LEU A 36 -5.605 17.450 -11.329 1.00 0.00 N ATOM 581 CA LEU A 36 -4.629 18.507 -11.090 1.00 0.00 C ATOM 582 C LEU A 36 -5.053 19.781 -11.813 1.00 0.00 C ATOM 583 O LEU A 36 -5.022 20.847 -11.204 1.00 0.00 O ATOM 584 CB LEU A 36 -3.228 18.047 -11.529 1.00 0.00 C ATOM 585 CG LEU A 36 -2.382 17.439 -10.389 1.00 0.00 C ATOM 586 CD1 LEU A 36 -3.106 16.363 -9.572 1.00 0.00 C ATOM 587 CD2 LEU A 36 -1.123 16.817 -10.998 1.00 0.00 C ATOM 0 H LEU A 36 -5.250 16.679 -11.895 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.587 18.725 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.332 17.309 -12.324 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.693 18.898 -11.951 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.157 18.254 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.442 15.989 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.997 16.792 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.395 15.541 -10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.513 16.382 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.408 16.039 -11.706 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.551 17.587 -11.516 1.00 0.00 H new ATOM 599 N ASP A 37 -5.508 19.690 -13.063 1.00 0.00 N ATOM 600 CA ASP A 37 -5.994 20.844 -13.816 1.00 0.00 C ATOM 601 C ASP A 37 -7.176 21.526 -13.121 1.00 0.00 C ATOM 602 O ASP A 37 -7.290 22.751 -13.164 1.00 0.00 O ATOM 603 CB ASP A 37 -6.382 20.417 -15.236 1.00 0.00 C ATOM 604 CG ASP A 37 -6.992 21.579 -16.034 1.00 0.00 C ATOM 605 OD1 ASP A 37 -6.227 22.413 -16.567 1.00 0.00 O ATOM 606 OD2 ASP A 37 -8.235 21.637 -16.174 1.00 0.00 O ATOM 0 H ASP A 37 -5.550 18.813 -13.581 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.185 21.572 -13.866 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.501 20.042 -15.756 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.097 19.596 -15.186 1.00 0.00 H new ATOM 611 N ASP A 38 -8.027 20.755 -12.439 1.00 0.00 N ATOM 612 CA ASP A 38 -9.161 21.286 -11.684 1.00 0.00 C ATOM 613 C ASP A 38 -8.744 21.859 -10.322 1.00 0.00 C ATOM 614 O ASP A 38 -9.451 22.705 -9.771 1.00 0.00 O ATOM 615 CB ASP A 38 -10.208 20.183 -11.483 1.00 0.00 C ATOM 616 CG ASP A 38 -11.445 20.700 -10.729 1.00 0.00 C ATOM 617 OD1 ASP A 38 -12.211 21.511 -11.299 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.694 20.260 -9.584 1.00 0.00 O ATOM 0 H ASP A 38 -7.947 19.739 -12.396 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.583 22.106 -12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.512 19.789 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.763 19.357 -10.928 1.00 0.00 H new ATOM 623 N THR A 39 -7.601 21.432 -9.779 1.00 0.00 N ATOM 624 CA THR A 39 -7.212 21.740 -8.404 1.00 0.00 C ATOM 625 C THR A 39 -6.203 22.889 -8.324 1.00 0.00 C ATOM 626 O THR A 39 -6.333 23.762 -7.464 1.00 0.00 O ATOM 627 CB THR A 39 -6.642 20.464 -7.756 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.620 19.446 -7.738 1.00 0.00 O ATOM 629 CG2 THR A 39 -6.155 20.716 -6.327 1.00 0.00 C ATOM 0 H THR A 39 -6.920 20.863 -10.282 1.00 0.00 H new ATOM 0 HA THR A 39 -8.096 22.075 -7.862 1.00 0.00 H new ATOM 0 HB THR A 39 -5.789 20.152 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.504 18.867 -8.520 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.761 19.790 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.370 21.472 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.987 21.066 -5.716 1.00 0.00 H new ATOM 637 N LEU A 40 -5.178 22.872 -9.177 1.00 0.00 N ATOM 638 CA LEU A 40 -4.035 23.772 -9.078 1.00 0.00 C ATOM 639 C LEU A 40 -4.492 25.199 -9.404 1.00 0.00 C ATOM 640 O LEU A 40 -5.084 25.442 -10.457 1.00 0.00 O ATOM 641 CB LEU A 40 -2.930 23.314 -10.046 1.00 0.00 C ATOM 642 CG LEU A 40 -2.330 21.914 -9.782 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.580 21.446 -11.033 1.00 0.00 C ATOM 644 CD2 LEU A 40 -1.365 21.841 -8.603 1.00 0.00 C ATOM 0 H LEU A 40 -5.120 22.225 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.630 23.754 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.334 23.329 -11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.122 24.045 -10.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.178 21.276 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.154 20.459 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.271 21.396 -11.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.780 22.150 -11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.997 20.821 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.525 22.513 -8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.882 22.137 -7.690 1.00 0.00 H new ATOM 656 N GLU A 41 -4.193 26.154 -8.525 1.00 0.00 N ATOM 657 CA GLU A 41 -4.617 27.552 -8.617 1.00 0.00 C ATOM 658 C GLU A 41 -3.616 28.359 -9.465 1.00 0.00 C ATOM 659 O GLU A 41 -3.169 29.438 -9.069 1.00 0.00 O ATOM 660 CB GLU A 41 -4.796 28.137 -7.198 1.00 0.00 C ATOM 661 CG GLU A 41 -5.944 27.506 -6.393 1.00 0.00 C ATOM 662 CD GLU A 41 -7.327 27.936 -6.917 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.889 27.273 -7.817 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.879 28.946 -6.421 1.00 0.00 O ATOM 0 H GLU A 41 -3.627 25.969 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.581 27.614 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.866 28.008 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.972 29.210 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.862 26.420 -6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.850 27.791 -5.345 1.00 0.00 H new ATOM 671 N PHE A 42 -3.196 27.814 -10.611 1.00 0.00 N ATOM 672 CA PHE A 42 -2.316 28.517 -11.543 1.00 0.00 C ATOM 673 C PHE A 42 -2.994 29.785 -12.108 1.00 0.00 C ATOM 674 O PHE A 42 -4.228 29.841 -12.152 1.00 0.00 O ATOM 675 CB PHE A 42 -1.831 27.554 -12.639 1.00 0.00 C ATOM 676 CG PHE A 42 -2.895 26.703 -13.305 1.00 0.00 C ATOM 677 CD1 PHE A 42 -3.820 27.277 -14.198 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.917 25.314 -13.077 1.00 0.00 C ATOM 679 CE1 PHE A 42 -4.789 26.473 -14.823 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.889 24.511 -13.698 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.830 25.092 -14.564 1.00 0.00 C ATOM 0 H PHE A 42 -3.457 26.876 -10.916 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.434 28.866 -11.006 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.328 28.138 -13.410 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.084 26.890 -12.205 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.785 28.337 -14.403 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.185 24.864 -12.423 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.502 26.916 -15.502 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.912 23.448 -13.509 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.585 24.477 -15.031 1.00 0.00 H new ATOM 691 N PRO A 43 -2.229 30.788 -12.587 1.00 0.00 N ATOM 692 CA PRO A 43 -0.770 30.861 -12.548 1.00 0.00 C ATOM 693 C PRO A 43 -0.248 31.032 -11.115 1.00 0.00 C ATOM 694 O PRO A 43 -0.901 31.665 -10.282 1.00 0.00 O ATOM 695 CB PRO A 43 -0.394 32.051 -13.436 1.00 0.00 C ATOM 696 CG PRO A 43 -1.609 32.970 -13.334 1.00 0.00 C ATOM 697 CD PRO A 43 -2.774 31.989 -13.204 1.00 0.00 C ATOM 0 HA PRO A 43 -0.316 29.938 -12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.512 32.544 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.210 31.742 -14.465 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.542 33.633 -12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.711 33.603 -14.215 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.572 32.412 -12.594 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.204 31.764 -14.180 1.00 0.00 H new ATOM 705 N PHE A 44 0.926 30.463 -10.827 1.00 0.00 N ATOM 706 CA PHE A 44 1.572 30.534 -9.517 1.00 0.00 C ATOM 707 C PHE A 44 3.093 30.523 -9.695 1.00 0.00 C ATOM 708 O PHE A 44 3.584 30.195 -10.771 1.00 0.00 O ATOM 709 CB PHE A 44 1.082 29.391 -8.604 1.00 0.00 C ATOM 710 CG PHE A 44 1.409 27.960 -9.018 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.704 27.452 -8.821 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.410 27.094 -9.504 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.018 26.122 -9.133 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.722 25.762 -9.836 1.00 0.00 C ATOM 715 CZ PHE A 44 2.027 25.274 -9.653 1.00 0.00 C ATOM 0 H PHE A 44 1.463 29.931 -11.512 1.00 0.00 H new ATOM 0 HA PHE A 44 1.298 31.467 -9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.497 29.555 -7.610 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.001 29.475 -8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.472 28.098 -8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.601 27.454 -9.623 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.020 25.750 -8.974 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.044 25.113 -10.233 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.266 24.253 -9.911 1.00 0.00 H new ATOM 725 N MET A 45 3.859 30.876 -8.664 1.00 0.00 N ATOM 726 CA MET A 45 5.322 30.887 -8.725 1.00 0.00 C ATOM 727 C MET A 45 5.861 29.541 -8.238 1.00 0.00 C ATOM 728 O MET A 45 5.314 28.978 -7.291 1.00 0.00 O ATOM 729 CB MET A 45 5.820 32.026 -7.821 1.00 0.00 C ATOM 730 CG MET A 45 7.342 32.168 -7.833 1.00 0.00 C ATOM 731 SD MET A 45 7.963 33.432 -6.699 1.00 0.00 S ATOM 732 CE MET A 45 9.723 33.227 -7.050 1.00 0.00 C ATOM 0 H MET A 45 3.483 31.163 -7.760 1.00 0.00 H new ATOM 0 HA MET A 45 5.669 31.045 -9.746 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.369 32.964 -8.145 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.484 31.847 -6.800 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.790 31.209 -7.574 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.668 32.409 -8.845 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.308 33.764 -6.303 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.979 32.168 -7.019 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.945 33.625 -8.040 1.00 0.00 H new ATOM 742 N GLY A 46 6.960 29.035 -8.800 1.00 0.00 N ATOM 743 CA GLY A 46 7.614 27.848 -8.281 1.00 0.00 C ATOM 744 C GLY A 46 9.093 27.832 -8.625 1.00 0.00 C ATOM 745 O GLY A 46 9.587 28.651 -9.402 1.00 0.00 O ATOM 0 H GLY A 46 7.413 29.437 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.491 27.807 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.135 26.959 -8.690 1.00 0.00 H new ATOM 749 N LYS A 47 9.810 26.893 -8.022 1.00 0.00 N ATOM 750 CA LYS A 47 11.183 26.588 -8.398 1.00 0.00 C ATOM 751 C LYS A 47 11.131 25.344 -9.276 1.00 0.00 C ATOM 752 O LYS A 47 10.562 24.327 -8.873 1.00 0.00 O ATOM 753 CB LYS A 47 12.047 26.336 -7.147 1.00 0.00 C ATOM 754 CG LYS A 47 13.555 26.423 -7.444 1.00 0.00 C ATOM 755 CD LYS A 47 14.069 27.865 -7.610 1.00 0.00 C ATOM 756 CE LYS A 47 14.085 28.632 -6.277 1.00 0.00 C ATOM 757 NZ LYS A 47 14.817 29.919 -6.378 1.00 0.00 N ATOM 0 H LYS A 47 9.454 26.320 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 47 11.635 27.423 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.789 27.065 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.816 25.351 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.104 25.941 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.770 25.862 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.076 27.844 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.438 28.394 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.060 28.823 -5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.548 28.012 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.491 30.563 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.837 29.748 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.637 30.349 -7.308 1.00 0.00 H new ATOM 771 N TRP A 48 11.699 25.421 -10.474 1.00 0.00 N ATOM 772 CA TRP A 48 11.923 24.263 -11.317 1.00 0.00 C ATOM 773 C TRP A 48 13.214 23.643 -10.788 1.00 0.00 C ATOM 774 O TRP A 48 14.300 24.186 -10.999 1.00 0.00 O ATOM 775 CB TRP A 48 12.013 24.690 -12.792 1.00 0.00 C ATOM 776 CG TRP A 48 12.141 23.604 -13.822 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.199 22.276 -13.583 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.213 23.733 -15.277 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.319 21.580 -14.763 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.337 22.429 -15.848 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.167 24.821 -16.175 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.419 22.220 -17.233 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.230 24.622 -17.568 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.360 23.326 -18.098 1.00 0.00 C ATOM 0 H TRP A 48 12.018 26.298 -10.887 1.00 0.00 H new ATOM 0 HA TRP A 48 11.111 23.537 -11.283 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.123 25.274 -13.028 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.869 25.356 -12.898 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.157 21.824 -12.603 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.386 20.564 -14.827 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.082 25.825 -15.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.526 21.221 -17.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.178 25.471 -18.234 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.414 23.181 -19.167 1.00 0.00 H new ATOM 795 N LYS A 49 13.097 22.539 -10.051 1.00 0.00 N ATOM 796 CA LYS A 49 14.198 21.702 -9.594 1.00 0.00 C ATOM 797 C LYS A 49 14.487 20.697 -10.711 1.00 0.00 C ATOM 798 O LYS A 49 14.167 19.511 -10.605 1.00 0.00 O ATOM 799 CB LYS A 49 13.805 21.023 -8.270 1.00 0.00 C ATOM 800 CG LYS A 49 13.995 21.974 -7.084 1.00 0.00 C ATOM 801 CD LYS A 49 13.627 21.289 -5.762 1.00 0.00 C ATOM 802 CE LYS A 49 14.216 22.091 -4.597 1.00 0.00 C ATOM 803 NZ LYS A 49 13.803 21.547 -3.281 1.00 0.00 N ATOM 0 H LYS A 49 12.189 22.191 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 49 15.102 22.277 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.765 20.700 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.410 20.128 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.031 22.311 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.376 22.861 -7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.544 21.223 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.011 20.269 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.304 22.085 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.898 23.131 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.303 22.054 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.777 21.669 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.039 20.535 -3.234 1.00 0.00 H new ATOM 817 N LYS A 50 15.001 21.204 -11.831 1.00 0.00 N ATOM 818 CA LYS A 50 15.284 20.402 -13.013 1.00 0.00 C ATOM 819 C LYS A 50 16.315 19.341 -12.634 1.00 0.00 C ATOM 820 O LYS A 50 17.399 19.689 -12.168 1.00 0.00 O ATOM 821 CB LYS A 50 15.786 21.300 -14.153 1.00 0.00 C ATOM 822 CG LYS A 50 15.871 20.487 -15.453 1.00 0.00 C ATOM 823 CD LYS A 50 16.694 21.201 -16.529 1.00 0.00 C ATOM 824 CE LYS A 50 17.090 20.227 -17.651 1.00 0.00 C ATOM 825 NZ LYS A 50 18.123 19.244 -17.221 1.00 0.00 N ATOM 0 H LYS A 50 15.233 22.191 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 50 14.380 19.908 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.112 22.147 -14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.765 21.708 -13.903 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.316 19.515 -15.243 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.865 20.302 -15.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.118 22.027 -16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.590 21.631 -16.082 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.204 19.691 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.466 20.794 -18.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.365 18.623 -18.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.975 19.751 -16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.751 18.670 -16.437 1.00 0.00 H new ATOM 839 N LYS A 51 16.021 18.056 -12.831 1.00 0.00 N ATOM 840 CA LYS A 51 17.012 16.999 -12.635 1.00 0.00 C ATOM 841 C LYS A 51 18.128 17.101 -13.687 1.00 0.00 C ATOM 842 O LYS A 51 17.970 17.730 -14.740 1.00 0.00 O ATOM 843 CB LYS A 51 16.300 15.631 -12.693 1.00 0.00 C ATOM 844 CG LYS A 51 17.038 14.535 -11.901 1.00 0.00 C ATOM 845 CD LYS A 51 16.406 13.144 -12.053 1.00 0.00 C ATOM 846 CE LYS A 51 16.635 12.575 -13.463 1.00 0.00 C ATOM 847 NZ LYS A 51 16.109 11.193 -13.604 1.00 0.00 N ATOM 0 H LYS A 51 15.104 17.722 -13.126 1.00 0.00 H new ATOM 0 HA LYS A 51 17.483 17.110 -11.658 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.289 15.737 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.207 15.320 -13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 51 18.075 14.493 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.052 14.806 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.831 12.467 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.336 13.205 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.153 13.222 -14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.702 12.580 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.286 10.851 -14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.587 10.569 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.086 11.190 -13.418 1.00 0.00 H new ATOM 861 N SER A 52 19.229 16.406 -13.421 1.00 0.00 N ATOM 862 CA SER A 52 20.333 16.158 -14.335 1.00 0.00 C ATOM 863 C SER A 52 21.196 17.395 -14.620 1.00 0.00 C ATOM 864 O SER A 52 21.505 17.697 -15.774 1.00 0.00 O ATOM 865 CB SER A 52 19.844 15.385 -15.571 1.00 0.00 C ATOM 866 OG SER A 52 19.071 14.263 -15.160 1.00 0.00 O ATOM 0 H SER A 52 19.381 15.977 -12.508 1.00 0.00 H new ATOM 0 HA SER A 52 21.046 15.502 -13.835 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.246 16.038 -16.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 20.696 15.054 -16.165 1.00 0.00 H new ATOM 0 HG SER A 52 18.759 13.773 -15.950 1.00 0.00 H new ATOM 872 N ARG A 53 21.602 18.111 -13.560 1.00 0.00 N ATOM 873 CA ARG A 53 22.617 19.169 -13.642 1.00 0.00 C ATOM 874 C ARG A 53 23.897 18.568 -14.237 1.00 0.00 C ATOM 875 O ARG A 53 24.471 19.151 -15.158 1.00 0.00 O ATOM 876 CB ARG A 53 22.878 19.770 -12.241 1.00 0.00 C ATOM 877 CG ARG A 53 24.031 20.793 -12.222 1.00 0.00 C ATOM 878 CD ARG A 53 24.325 21.336 -10.816 1.00 0.00 C ATOM 879 NE ARG A 53 23.471 22.479 -10.454 1.00 0.00 N ATOM 880 CZ ARG A 53 23.245 22.925 -9.210 1.00 0.00 C ATOM 881 NH1 ARG A 53 23.777 22.309 -8.156 1.00 0.00 N ATOM 882 NH2 ARG A 53 22.496 24.007 -9.026 1.00 0.00 N ATOM 0 H ARG A 53 21.233 17.971 -12.619 1.00 0.00 H new ATOM 0 HA ARG A 53 22.268 19.978 -14.284 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.968 20.252 -11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 53 23.105 18.964 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 53 24.931 20.326 -12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 53 23.784 21.624 -12.883 1.00 0.00 H new ATOM 0 HD2 ARG A 53 24.184 20.538 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 53 25.371 21.638 -10.760 1.00 0.00 H new ATOM 0 HE ARG A 53 23.011 22.975 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 53 24.365 21.486 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 53 23.596 22.660 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 53 22.097 24.493 -9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 53 22.320 24.351 -8.082 1.00 0.00 H new ATOM 896 N LYS A 54 24.325 17.401 -13.733 1.00 0.00 N ATOM 897 CA LYS A 54 25.498 16.679 -14.233 1.00 0.00 C ATOM 898 C LYS A 54 25.311 15.166 -14.103 1.00 0.00 C ATOM 899 O LYS A 54 25.558 14.447 -15.070 1.00 0.00 O ATOM 900 CB LYS A 54 26.749 17.159 -13.471 1.00 0.00 C ATOM 901 CG LYS A 54 28.053 16.674 -14.124 1.00 0.00 C ATOM 902 CD LYS A 54 29.277 17.168 -13.338 1.00 0.00 C ATOM 903 CE LYS A 54 30.602 16.642 -13.916 1.00 0.00 C ATOM 904 NZ LYS A 54 30.922 17.206 -15.252 1.00 0.00 N ATOM 0 H LYS A 54 23.859 16.929 -12.958 1.00 0.00 H new ATOM 0 HA LYS A 54 25.626 16.892 -15.294 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.750 18.248 -13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 54 26.705 16.800 -12.443 1.00 0.00 H new ATOM 0 HG2 LYS A 54 28.059 15.585 -14.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 28.106 17.034 -15.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 29.291 18.258 -13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 54 29.188 16.853 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 31.412 16.879 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 54 30.553 15.556 -13.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.825 16.814 -15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.167 16.959 -15.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 30.999 18.241 -15.183 1.00 0.00 H new ATOM 918 N THR A 55 24.841 14.683 -12.951 1.00 0.00 N ATOM 919 CA THR A 55 24.798 13.258 -12.612 1.00 0.00 C ATOM 920 C THR A 55 23.496 12.975 -11.849 1.00 0.00 C ATOM 921 O THR A 55 23.508 12.637 -10.664 1.00 0.00 O ATOM 922 CB THR A 55 26.085 12.860 -11.845 1.00 0.00 C ATOM 923 OG1 THR A 55 26.516 13.884 -10.959 1.00 0.00 O ATOM 924 CG2 THR A 55 27.252 12.575 -12.797 1.00 0.00 C ATOM 0 H THR A 55 24.472 15.283 -12.213 1.00 0.00 H new ATOM 0 HA THR A 55 24.784 12.634 -13.505 1.00 0.00 H new ATOM 0 HB THR A 55 25.819 11.962 -11.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 27.328 13.594 -10.494 1.00 0.00 H new ATOM 0 HG21 THR A 55 28.134 12.300 -12.219 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.985 11.756 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.468 13.467 -13.386 1.00 0.00 H new ATOM 932 N SER A 56 22.357 13.222 -12.512 1.00 0.00 N ATOM 933 CA SER A 56 21.010 13.207 -11.922 1.00 0.00 C ATOM 934 C SER A 56 20.844 14.204 -10.755 1.00 0.00 C ATOM 935 O SER A 56 19.857 14.151 -10.020 1.00 0.00 O ATOM 936 CB SER A 56 20.606 11.770 -11.547 1.00 0.00 C ATOM 937 OG SER A 56 20.806 10.886 -12.643 1.00 0.00 O ATOM 0 H SER A 56 22.348 13.445 -13.507 1.00 0.00 H new ATOM 0 HA SER A 56 20.315 13.560 -12.684 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.192 11.434 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 56 19.559 11.749 -11.244 1.00 0.00 H new ATOM 0 HG SER A 56 20.545 9.978 -12.383 1.00 0.00 H new ATOM 943 N THR A 57 21.788 15.131 -10.594 1.00 0.00 N ATOM 944 CA THR A 57 21.806 16.184 -9.593 1.00 0.00 C ATOM 945 C THR A 57 20.758 17.249 -9.941 1.00 0.00 C ATOM 946 O THR A 57 20.406 17.412 -11.109 1.00 0.00 O ATOM 947 CB THR A 57 23.246 16.743 -9.554 1.00 0.00 C ATOM 948 OG1 THR A 57 23.889 16.671 -10.830 1.00 0.00 O ATOM 949 CG2 THR A 57 24.105 15.917 -8.595 1.00 0.00 C ATOM 0 H THR A 57 22.609 15.164 -11.199 1.00 0.00 H new ATOM 0 HA THR A 57 21.543 15.815 -8.602 1.00 0.00 H new ATOM 0 HB THR A 57 23.160 17.782 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 57 24.837 16.454 -10.707 1.00 0.00 H new ATOM 0 HG21 THR A 57 25.118 16.319 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.677 15.961 -7.593 1.00 0.00 H new ATOM 0 HG23 THR A 57 24.133 14.881 -8.932 1.00 0.00 H new ATOM 957 N ILE A 58 20.226 17.966 -8.952 1.00 0.00 N ATOM 958 CA ILE A 58 19.203 18.988 -9.174 1.00 0.00 C ATOM 959 C ILE A 58 19.881 20.298 -9.594 1.00 0.00 C ATOM 960 O ILE A 58 20.932 20.671 -9.070 1.00 0.00 O ATOM 961 CB ILE A 58 18.350 19.133 -7.887 1.00 0.00 C ATOM 962 CG1 ILE A 58 17.565 17.835 -7.566 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.388 20.335 -7.914 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.451 17.454 -8.551 1.00 0.00 C ATOM 0 H ILE A 58 20.492 17.855 -7.974 1.00 0.00 H new ATOM 0 HA ILE A 58 18.528 18.704 -9.982 1.00 0.00 H new ATOM 0 HB ILE A 58 19.072 19.319 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.275 17.009 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.125 17.938 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 58 16.825 20.372 -6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.960 21.256 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 58 16.697 20.229 -8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 58 15.975 16.530 -8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.709 18.252 -8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.877 17.309 -9.544 1.00 0.00 H new ATOM 976 N GLU A 59 19.238 21.003 -10.519 1.00 0.00 N ATOM 977 CA GLU A 59 19.523 22.363 -10.939 1.00 0.00 C ATOM 978 C GLU A 59 18.264 23.160 -10.586 1.00 0.00 C ATOM 979 O GLU A 59 17.168 22.598 -10.559 1.00 0.00 O ATOM 980 CB GLU A 59 19.817 22.399 -12.451 1.00 0.00 C ATOM 981 CG GLU A 59 20.169 23.801 -12.965 1.00 0.00 C ATOM 982 CD GLU A 59 21.349 24.402 -12.195 1.00 0.00 C ATOM 983 OE1 GLU A 59 21.115 25.064 -11.159 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.517 24.129 -12.544 1.00 0.00 O ATOM 0 H GLU A 59 18.448 20.607 -11.029 1.00 0.00 H new ATOM 0 HA GLU A 59 20.402 22.781 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.642 21.721 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 59 18.947 22.028 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.414 23.750 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.301 24.453 -12.869 1.00 0.00 H new ATOM 991 N GLU A 60 18.393 24.455 -10.309 1.00 0.00 N ATOM 992 CA GLU A 60 17.306 25.260 -9.764 1.00 0.00 C ATOM 993 C GLU A 60 17.122 26.509 -10.619 1.00 0.00 C ATOM 994 O GLU A 60 18.073 27.263 -10.846 1.00 0.00 O ATOM 995 CB GLU A 60 17.602 25.620 -8.300 1.00 0.00 C ATOM 996 CG GLU A 60 17.560 24.380 -7.401 1.00 0.00 C ATOM 997 CD GLU A 60 17.755 24.743 -5.919 1.00 0.00 C ATOM 998 OE1 GLU A 60 18.915 24.877 -5.467 1.00 0.00 O ATOM 999 OE2 GLU A 60 16.750 24.882 -5.186 1.00 0.00 O ATOM 0 H GLU A 60 19.257 24.976 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 60 16.377 24.690 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.583 26.089 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.874 26.351 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.605 23.871 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.337 23.681 -7.709 1.00 0.00 H new ATOM 1006 N LYS A 61 15.887 26.736 -11.074 1.00 0.00 N ATOM 1007 CA LYS A 61 15.505 27.892 -11.883 1.00 0.00 C ATOM 1008 C LYS A 61 14.207 28.433 -11.299 1.00 0.00 C ATOM 1009 O LYS A 61 13.312 27.649 -10.983 1.00 0.00 O ATOM 1010 CB LYS A 61 15.338 27.426 -13.340 1.00 0.00 C ATOM 1011 CG LYS A 61 15.149 28.573 -14.347 1.00 0.00 C ATOM 1012 CD LYS A 61 14.762 28.079 -15.754 1.00 0.00 C ATOM 1013 CE LYS A 61 15.694 26.973 -16.282 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.436 26.640 -17.706 1.00 0.00 N ATOM 0 H LYS A 61 15.108 26.105 -10.885 1.00 0.00 H new ATOM 0 HA LYS A 61 16.255 28.683 -11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.214 26.845 -13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.479 26.758 -13.401 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.376 29.248 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.072 29.149 -14.411 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.739 27.704 -15.733 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.779 28.921 -16.446 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.730 27.292 -16.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.568 26.077 -15.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.090 25.891 -18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.456 26.309 -17.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.582 27.487 -18.292 1.00 0.00 H new ATOM 1028 N THR A 62 14.093 29.743 -11.122 1.00 0.00 N ATOM 1029 CA THR A 62 12.907 30.351 -10.529 1.00 0.00 C ATOM 1030 C THR A 62 11.939 30.665 -11.669 1.00 0.00 C ATOM 1031 O THR A 62 12.317 31.338 -12.632 1.00 0.00 O ATOM 1032 CB THR A 62 13.332 31.580 -9.715 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.408 31.235 -8.858 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.202 32.065 -8.817 1.00 0.00 C ATOM 0 H THR A 62 14.817 30.412 -11.384 1.00 0.00 H new ATOM 0 HA THR A 62 12.395 29.689 -9.831 1.00 0.00 H new ATOM 0 HB THR A 62 13.611 32.358 -10.426 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.574 31.969 -8.230 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.534 32.937 -8.253 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.341 32.335 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.921 31.271 -8.125 1.00 0.00 H new ATOM 1042 N VAL A 63 10.699 30.175 -11.589 1.00 0.00 N ATOM 1043 CA VAL A 63 9.776 30.220 -12.712 1.00 0.00 C ATOM 1044 C VAL A 63 8.367 30.591 -12.259 1.00 0.00 C ATOM 1045 O VAL A 63 7.960 30.362 -11.120 1.00 0.00 O ATOM 1046 CB VAL A 63 9.782 28.875 -13.481 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.157 28.514 -14.063 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.302 27.680 -12.640 1.00 0.00 C ATOM 0 H VAL A 63 10.315 29.741 -10.750 1.00 0.00 H new ATOM 0 HA VAL A 63 10.115 31.000 -13.393 1.00 0.00 H new ATOM 0 HB VAL A 63 9.075 29.051 -14.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.091 27.561 -14.588 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.473 29.291 -14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.884 28.433 -13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.333 26.774 -13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.952 27.561 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.280 27.858 -12.306 1.00 0.00 H new ATOM 1058 N GLU A 64 7.614 31.170 -13.181 1.00 0.00 N ATOM 1059 CA GLU A 64 6.190 31.398 -13.048 1.00 0.00 C ATOM 1060 C GLU A 64 5.545 30.258 -13.833 1.00 0.00 C ATOM 1061 O GLU A 64 5.825 30.078 -15.017 1.00 0.00 O ATOM 1062 CB GLU A 64 5.818 32.791 -13.578 1.00 0.00 C ATOM 1063 CG GLU A 64 4.329 33.084 -13.338 1.00 0.00 C ATOM 1064 CD GLU A 64 3.976 34.545 -13.674 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.655 34.850 -14.844 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.996 35.402 -12.761 1.00 0.00 O ATOM 0 H GLU A 64 7.992 31.503 -14.068 1.00 0.00 H new ATOM 0 HA GLU A 64 5.844 31.395 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.427 33.548 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.038 32.851 -14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.723 32.414 -13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.081 32.880 -12.296 1.00 0.00 H new ATOM 1073 N VAL A 65 4.751 29.442 -13.154 1.00 0.00 N ATOM 1074 CA VAL A 65 4.005 28.330 -13.712 1.00 0.00 C ATOM 1075 C VAL A 65 2.715 28.922 -14.270 1.00 0.00 C ATOM 1076 O VAL A 65 1.910 29.464 -13.511 1.00 0.00 O ATOM 1077 CB VAL A 65 3.740 27.281 -12.608 1.00 0.00 C ATOM 1078 CG1 VAL A 65 2.973 26.082 -13.179 1.00 0.00 C ATOM 1079 CG2 VAL A 65 5.058 26.794 -11.975 1.00 0.00 C ATOM 0 H VAL A 65 4.605 29.545 -12.150 1.00 0.00 H new ATOM 0 HA VAL A 65 4.549 27.815 -14.504 1.00 0.00 H new ATOM 0 HB VAL A 65 3.138 27.760 -11.836 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.795 25.354 -12.388 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.018 26.420 -13.583 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.559 25.620 -13.973 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.840 26.057 -11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.684 26.340 -12.743 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.583 27.640 -11.532 1.00 0.00 H new ATOM 1089 N LEU A 66 2.529 28.860 -15.590 1.00 0.00 N ATOM 1090 CA LEU A 66 1.370 29.453 -16.248 1.00 0.00 C ATOM 1091 C LEU A 66 0.145 28.556 -16.085 1.00 0.00 C ATOM 1092 O LEU A 66 -0.967 29.065 -15.943 1.00 0.00 O ATOM 1093 CB LEU A 66 1.622 29.698 -17.749 1.00 0.00 C ATOM 1094 CG LEU A 66 2.737 30.693 -18.133 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.771 31.940 -17.241 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.121 30.041 -18.141 1.00 0.00 C ATOM 0 H LEU A 66 3.177 28.398 -16.228 1.00 0.00 H new ATOM 0 HA LEU A 66 1.190 30.415 -15.769 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.854 28.739 -18.212 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.691 30.049 -18.193 1.00 0.00 H new ATOM 0 HG LEU A 66 2.487 31.009 -19.146 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.578 32.597 -17.565 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.820 32.468 -17.317 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.939 31.642 -16.206 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.871 30.782 -18.417 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.345 29.651 -17.148 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.135 29.225 -18.863 1.00 0.00 H new ATOM 1108 N GLY A 67 0.335 27.234 -16.099 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.724 26.257 -15.982 1.00 0.00 C ATOM 1110 C GLY A 67 -0.193 24.890 -16.379 1.00 0.00 C ATOM 1111 O GLY A 67 0.981 24.742 -16.728 1.00 0.00 O ATOM 0 H GLY A 67 1.259 26.813 -16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.099 26.231 -14.959 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.562 26.534 -16.622 1.00 0.00 H new ATOM 1115 N MET A 68 -1.059 23.886 -16.315 1.00 0.00 N ATOM 1116 CA MET A 68 -0.753 22.550 -16.817 1.00 0.00 C ATOM 1117 C MET A 68 -0.469 22.611 -18.319 1.00 0.00 C ATOM 1118 O MET A 68 -1.043 23.428 -19.046 1.00 0.00 O ATOM 1119 CB MET A 68 -1.909 21.577 -16.531 1.00 0.00 C ATOM 1120 CG MET A 68 -2.090 21.262 -15.039 1.00 0.00 C ATOM 1121 SD MET A 68 -0.785 20.253 -14.276 1.00 0.00 S ATOM 1122 CE MET A 68 -1.131 18.637 -15.024 1.00 0.00 C ATOM 0 H MET A 68 -1.993 23.974 -15.914 1.00 0.00 H new ATOM 0 HA MET A 68 0.133 22.182 -16.301 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.835 22.001 -16.920 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.733 20.647 -17.072 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.159 22.204 -14.495 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.042 20.748 -14.909 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.496 17.880 -14.564 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.178 18.378 -14.864 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.928 18.680 -16.094 1.00 0.00 H new ATOM 1132 N ALA A 69 0.412 21.721 -18.776 1.00 0.00 N ATOM 1133 CA ALA A 69 0.653 21.474 -20.190 1.00 0.00 C ATOM 1134 C ALA A 69 -0.628 20.909 -20.835 1.00 0.00 C ATOM 1135 O ALA A 69 -1.512 20.443 -20.108 1.00 0.00 O ATOM 1136 CB ALA A 69 1.810 20.476 -20.296 1.00 0.00 C ATOM 0 H ALA A 69 0.986 21.144 -18.161 1.00 0.00 H new ATOM 0 HA ALA A 69 0.914 22.393 -20.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.017 20.269 -21.346 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.699 20.898 -19.828 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.539 19.550 -19.790 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.745 20.899 -22.176 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.857 20.235 -22.841 1.00 0.00 C ATOM 1144 C PRO A 70 -1.884 18.737 -22.509 1.00 0.00 C ATOM 1145 O PRO A 70 -0.863 18.126 -22.171 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.685 20.511 -24.339 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.199 20.832 -24.484 1.00 0.00 C ATOM 1148 CD PRO A 70 0.144 21.505 -23.157 1.00 0.00 C ATOM 0 HA PRO A 70 -2.820 20.616 -22.500 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -1.968 19.647 -24.940 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.308 21.344 -24.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.394 19.931 -24.644 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.010 21.492 -25.331 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.189 21.343 -22.893 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.008 22.583 -23.212 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.067 18.138 -22.652 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.325 16.742 -22.304 1.00 0.00 C ATOM 1158 C ASP A 71 -2.385 15.780 -23.032 1.00 0.00 C ATOM 1159 O ASP A 71 -2.009 14.758 -22.465 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.787 16.369 -22.589 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.054 15.995 -24.059 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.147 16.913 -24.905 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.212 14.795 -24.372 1.00 0.00 O ATOM 0 H ASP A 71 -3.887 18.620 -23.020 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.134 16.643 -21.235 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.070 15.530 -21.953 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.427 17.207 -22.314 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.964 16.126 -24.253 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.113 15.288 -25.093 1.00 0.00 C ATOM 1170 C ASP A 72 0.279 15.079 -24.487 1.00 0.00 C ATOM 1171 O ASP A 72 0.909 14.047 -24.722 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.988 15.913 -26.486 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.137 15.037 -27.422 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.588 13.932 -27.799 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.962 15.472 -27.835 1.00 0.00 O ATOM 0 H ASP A 72 -2.212 17.014 -24.690 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.585 14.308 -25.164 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.981 16.049 -26.916 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.538 16.902 -26.403 1.00 0.00 H new ATOM 1180 N GLU A 73 0.753 16.034 -23.681 1.00 0.00 N ATOM 1181 CA GLU A 73 2.006 15.893 -22.945 1.00 0.00 C ATOM 1182 C GLU A 73 1.779 15.040 -21.694 1.00 0.00 C ATOM 1183 O GLU A 73 2.631 14.232 -21.327 1.00 0.00 O ATOM 1184 CB GLU A 73 2.543 17.274 -22.523 1.00 0.00 C ATOM 1185 CG GLU A 73 2.973 18.166 -23.697 1.00 0.00 C ATOM 1186 CD GLU A 73 4.191 17.601 -24.451 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.335 17.736 -23.959 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.026 17.039 -25.557 1.00 0.00 O ATOM 0 H GLU A 73 0.278 16.923 -23.523 1.00 0.00 H new ATOM 0 HA GLU A 73 2.735 15.410 -23.595 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.773 17.792 -21.951 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.394 17.133 -21.857 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.139 18.276 -24.390 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.211 19.162 -23.324 1.00 0.00 H new ATOM 1195 N CYS A 74 0.615 15.182 -21.056 1.00 0.00 N ATOM 1196 CA CYS A 74 0.310 14.623 -19.744 1.00 0.00 C ATOM 1197 C CYS A 74 -0.082 13.136 -19.803 1.00 0.00 C ATOM 1198 O CYS A 74 -0.952 12.699 -19.050 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.762 15.490 -19.066 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.186 17.210 -18.924 1.00 0.00 S ATOM 0 H CYS A 74 -0.164 15.707 -21.454 1.00 0.00 H new ATOM 0 HA CYS A 74 1.216 14.646 -19.139 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.686 15.455 -19.643 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.989 15.092 -18.077 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.374 17.825 -20.054 1.00 0.00 H new ATOM 1206 N LEU A 75 0.513 12.362 -20.719 1.00 0.00 N ATOM 1207 CA LEU A 75 0.157 10.963 -20.973 1.00 0.00 C ATOM 1208 C LEU A 75 0.962 9.965 -20.130 1.00 0.00 C ATOM 1209 O LEU A 75 0.524 8.827 -19.969 1.00 0.00 O ATOM 1210 CB LEU A 75 0.351 10.637 -22.472 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.947 10.404 -23.263 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.774 9.229 -22.722 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -1.811 11.663 -23.331 1.00 0.00 C ATOM 0 H LEU A 75 1.269 12.698 -21.315 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.888 10.854 -20.684 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.900 11.456 -22.938 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.974 9.747 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.628 10.146 -24.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.678 9.114 -23.321 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.184 8.314 -22.776 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.048 9.424 -21.685 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.717 11.452 -23.899 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.080 11.975 -22.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.253 12.461 -23.821 1.00 0.00 H new ATOM 1225 N LYS A 76 2.138 10.356 -19.624 1.00 0.00 N ATOM 1226 CA LYS A 76 3.088 9.445 -18.956 1.00 0.00 C ATOM 1227 C LYS A 76 3.702 10.042 -17.689 1.00 0.00 C ATOM 1228 O LYS A 76 4.239 9.311 -16.856 1.00 0.00 O ATOM 1229 CB LYS A 76 4.217 9.044 -19.926 1.00 0.00 C ATOM 1230 CG LYS A 76 3.711 8.290 -21.168 1.00 0.00 C ATOM 1231 CD LYS A 76 4.846 7.716 -22.031 1.00 0.00 C ATOM 1232 CE LYS A 76 5.727 8.817 -22.642 1.00 0.00 C ATOM 1233 NZ LYS A 76 6.788 8.262 -23.519 1.00 0.00 N ATOM 0 H LYS A 76 2.464 11.322 -19.665 1.00 0.00 H new ATOM 0 HA LYS A 76 2.513 8.568 -18.659 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.748 9.941 -20.245 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.936 8.418 -19.397 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.058 7.477 -20.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.108 8.965 -21.775 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.464 7.055 -21.423 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.421 7.109 -22.830 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.104 9.502 -23.217 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.186 9.399 -21.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.358 9.040 -23.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.400 7.628 -22.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.351 7.728 -24.297 1.00 0.00 H new ATOM 1247 N ASP A 77 3.619 11.357 -17.532 1.00 0.00 N ATOM 1248 CA ASP A 77 4.097 12.145 -16.402 1.00 0.00 C ATOM 1249 C ASP A 77 3.217 13.401 -16.419 1.00 0.00 C ATOM 1250 O ASP A 77 2.524 13.642 -17.417 1.00 0.00 O ATOM 1251 CB ASP A 77 5.592 12.470 -16.589 1.00 0.00 C ATOM 1252 CG ASP A 77 6.332 12.821 -15.288 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.822 13.628 -14.483 1.00 0.00 O ATOM 1254 OD2 ASP A 77 7.455 12.302 -15.092 1.00 0.00 O ATOM 0 H ASP A 77 3.184 11.944 -18.243 1.00 0.00 H new ATOM 0 HA ASP A 77 4.025 11.629 -15.445 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.082 11.614 -17.052 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.686 13.305 -17.283 1.00 0.00 H new ATOM 1259 N MET A 78 3.191 14.186 -15.349 1.00 0.00 N ATOM 1260 CA MET A 78 2.421 15.428 -15.313 1.00 0.00 C ATOM 1261 C MET A 78 3.354 16.564 -15.719 1.00 0.00 C ATOM 1262 O MET A 78 4.512 16.585 -15.300 1.00 0.00 O ATOM 1263 CB MET A 78 1.837 15.652 -13.911 1.00 0.00 C ATOM 1264 CG MET A 78 0.708 14.666 -13.584 1.00 0.00 C ATOM 1265 SD MET A 78 -0.792 14.817 -14.604 1.00 0.00 S ATOM 1266 CE MET A 78 -0.628 13.352 -15.666 1.00 0.00 C ATOM 0 H MET A 78 3.698 13.984 -14.487 1.00 0.00 H new ATOM 0 HA MET A 78 1.579 15.382 -16.004 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.630 15.551 -13.170 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.458 16.671 -13.837 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.095 13.652 -13.687 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.429 14.796 -12.538 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.358 13.404 -16.473 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.377 13.319 -16.087 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.804 12.453 -15.075 1.00 0.00 H new ATOM 1276 N TYR A 79 2.862 17.531 -16.496 1.00 0.00 N ATOM 1277 CA TYR A 79 3.681 18.610 -17.043 1.00 0.00 C ATOM 1278 C TYR A 79 2.955 19.945 -16.903 1.00 0.00 C ATOM 1279 O TYR A 79 1.725 19.998 -16.835 1.00 0.00 O ATOM 1280 CB TYR A 79 4.011 18.346 -18.522 1.00 0.00 C ATOM 1281 CG TYR A 79 4.879 17.140 -18.821 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.277 15.887 -19.028 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.273 17.278 -18.973 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.054 14.773 -19.378 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.059 16.166 -19.329 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.453 14.903 -19.525 1.00 0.00 C ATOM 1287 OH TYR A 79 7.216 13.821 -19.851 1.00 0.00 O ATOM 0 H TYR A 79 1.879 17.586 -16.764 1.00 0.00 H new ATOM 0 HA TYR A 79 4.614 18.650 -16.481 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.073 18.233 -19.065 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.507 19.230 -18.923 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.208 15.781 -18.917 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.739 18.239 -18.816 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.582 13.814 -19.535 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.126 16.277 -19.453 1.00 0.00 H new ATOM 0 HH TYR A 79 8.156 14.090 -19.912 1.00 0.00 H new ATOM 1297 N VAL A 80 3.728 21.026 -16.909 1.00 0.00 N ATOM 1298 CA VAL A 80 3.276 22.388 -16.689 1.00 0.00 C ATOM 1299 C VAL A 80 4.057 23.302 -17.625 1.00 0.00 C ATOM 1300 O VAL A 80 5.240 23.071 -17.879 1.00 0.00 O ATOM 1301 CB VAL A 80 3.476 22.801 -15.213 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.321 22.331 -14.322 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.797 22.318 -14.585 1.00 0.00 C ATOM 0 H VAL A 80 4.733 20.970 -17.075 1.00 0.00 H new ATOM 0 HA VAL A 80 2.210 22.467 -16.900 1.00 0.00 H new ATOM 0 HB VAL A 80 3.507 23.890 -15.255 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.504 22.643 -13.294 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.388 22.771 -14.674 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.248 21.244 -14.363 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.852 22.654 -13.549 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.838 21.229 -14.616 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.637 22.729 -15.144 1.00 0.00 H new ATOM 1313 N GLU A 81 3.397 24.329 -18.151 1.00 0.00 N ATOM 1314 CA GLU A 81 4.057 25.401 -18.881 1.00 0.00 C ATOM 1315 C GLU A 81 4.640 26.352 -17.837 1.00 0.00 C ATOM 1316 O GLU A 81 3.941 26.729 -16.890 1.00 0.00 O ATOM 1317 CB GLU A 81 3.060 26.137 -19.788 1.00 0.00 C ATOM 1318 CG GLU A 81 2.561 25.247 -20.933 1.00 0.00 C ATOM 1319 CD GLU A 81 1.689 26.039 -21.924 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.473 26.205 -21.680 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.208 26.492 -22.969 1.00 0.00 O ATOM 0 H GLU A 81 2.385 24.440 -18.082 1.00 0.00 H new ATOM 0 HA GLU A 81 4.840 25.004 -19.527 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.210 26.475 -19.194 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.534 27.027 -20.201 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.413 24.818 -21.459 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.986 24.415 -20.525 1.00 0.00 H new ATOM 1328 N VAL A 82 5.902 26.751 -17.997 1.00 0.00 N ATOM 1329 CA VAL A 82 6.609 27.580 -17.023 1.00 0.00 C ATOM 1330 C VAL A 82 7.451 28.619 -17.766 1.00 0.00 C ATOM 1331 O VAL A 82 7.938 28.339 -18.860 1.00 0.00 O ATOM 1332 CB VAL A 82 7.447 26.712 -16.050 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.638 25.576 -15.404 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.701 26.084 -16.680 1.00 0.00 C ATOM 0 H VAL A 82 6.465 26.506 -18.811 1.00 0.00 H new ATOM 0 HA VAL A 82 5.889 28.112 -16.401 1.00 0.00 H new ATOM 0 HB VAL A 82 7.755 27.433 -15.293 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.282 25.006 -14.734 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.808 25.997 -14.838 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.250 24.918 -16.181 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.228 25.494 -15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.408 25.440 -17.509 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.357 26.873 -17.048 1.00 0.00 H new ATOM 1344 N ALA A 83 7.665 29.800 -17.188 1.00 0.00 N ATOM 1345 CA ALA A 83 8.467 30.865 -17.778 1.00 0.00 C ATOM 1346 C ALA A 83 9.468 31.350 -16.738 1.00 0.00 C ATOM 1347 O ALA A 83 9.127 31.488 -15.564 1.00 0.00 O ATOM 1348 CB ALA A 83 7.559 32.008 -18.237 1.00 0.00 C ATOM 0 H ALA A 83 7.277 30.046 -16.278 1.00 0.00 H new ATOM 0 HA ALA A 83 9.005 30.494 -18.650 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.165 32.800 -18.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.853 31.636 -18.980 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.011 32.403 -17.382 1.00 0.00 H new ATOM 1354 N ASP A 84 10.708 31.587 -17.162 1.00 0.00 N ATOM 1355 CA ASP A 84 11.787 32.016 -16.275 1.00 0.00 C ATOM 1356 C ASP A 84 11.535 33.432 -15.763 1.00 0.00 C ATOM 1357 O ASP A 84 11.390 34.364 -16.555 1.00 0.00 O ATOM 1358 CB ASP A 84 13.122 31.962 -17.022 1.00 0.00 C ATOM 1359 CG ASP A 84 14.221 32.708 -16.259 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.439 32.411 -15.066 1.00 0.00 O ATOM 1361 OD2 ASP A 84 14.831 33.622 -16.854 1.00 0.00 O ATOM 0 H ASP A 84 10.994 31.486 -18.136 1.00 0.00 H new ATOM 0 HA ASP A 84 11.822 31.342 -15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.418 30.923 -17.166 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.004 32.400 -18.013 1.00 0.00 H new ATOM 1366 N ILE A 85 11.507 33.597 -14.439 1.00 0.00 N ATOM 1367 CA ILE A 85 11.331 34.900 -13.801 1.00 0.00 C ATOM 1368 C ILE A 85 12.638 35.715 -13.893 1.00 0.00 C ATOM 1369 O ILE A 85 12.587 36.947 -13.860 1.00 0.00 O ATOM 1370 CB ILE A 85 10.804 34.699 -12.354 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.388 34.074 -12.400 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.731 36.007 -11.547 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.807 33.685 -11.033 1.00 0.00 C ATOM 0 H ILE A 85 11.606 32.827 -13.778 1.00 0.00 H new ATOM 0 HA ILE A 85 10.578 35.491 -14.323 1.00 0.00 H new ATOM 0 HB ILE A 85 11.515 34.041 -11.855 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.710 34.781 -12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.419 33.186 -13.031 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.355 35.796 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.726 36.447 -11.476 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.060 36.706 -12.047 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.814 33.257 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.457 32.951 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.737 34.571 -10.402 1.00 0.00 H new ATOM 1385 N GLY A 86 13.800 35.063 -14.037 1.00 0.00 N ATOM 1386 CA GLY A 86 15.103 35.718 -14.080 1.00 0.00 C ATOM 1387 C GLY A 86 15.207 36.736 -15.219 1.00 0.00 C ATOM 1388 O GLY A 86 15.667 37.859 -14.995 1.00 0.00 O ATOM 0 H GLY A 86 13.856 34.049 -14.128 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.286 36.220 -13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.882 34.964 -14.198 1.00 0.00 H new ATOM 1392 N GLY A 87 14.738 36.379 -16.417 1.00 0.00 N ATOM 1393 CA GLY A 87 14.684 37.287 -17.555 1.00 0.00 C ATOM 1394 C GLY A 87 14.154 36.660 -18.844 1.00 0.00 C ATOM 1395 O GLY A 87 13.606 37.385 -19.677 1.00 0.00 O ATOM 0 H GLY A 87 14.384 35.445 -16.621 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.054 38.138 -17.295 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.685 37.676 -17.741 1.00 0.00 H new ATOM 1399 N LYS A 88 14.252 35.338 -19.030 1.00 0.00 N ATOM 1400 CA LYS A 88 13.812 34.650 -20.253 1.00 0.00 C ATOM 1401 C LYS A 88 12.296 34.394 -20.236 1.00 0.00 C ATOM 1402 O LYS A 88 11.825 33.371 -20.730 1.00 0.00 O ATOM 1403 CB LYS A 88 14.637 33.363 -20.472 1.00 0.00 C ATOM 1404 CG LYS A 88 16.163 33.561 -20.518 1.00 0.00 C ATOM 1405 CD LYS A 88 16.625 34.508 -21.637 1.00 0.00 C ATOM 1406 CE LYS A 88 18.159 34.553 -21.681 1.00 0.00 C ATOM 1407 NZ LYS A 88 18.666 35.451 -22.749 1.00 0.00 N ATOM 0 H LYS A 88 14.643 34.708 -18.329 1.00 0.00 H new ATOM 0 HA LYS A 88 13.998 35.299 -21.108 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.402 32.660 -19.673 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.319 32.901 -21.407 1.00 0.00 H new ATOM 0 HG2 LYS A 88 16.500 33.954 -19.559 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.643 32.592 -20.652 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.234 34.169 -22.597 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.228 35.508 -21.466 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.538 34.890 -20.716 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.545 33.547 -21.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 19.706 35.449 -22.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.327 35.117 -23.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.320 36.418 -22.583 1.00 0.00 H new ATOM 1421 N ASP A 89 11.519 35.315 -19.664 1.00 0.00 N ATOM 1422 CA ASP A 89 10.060 35.235 -19.574 1.00 0.00 C ATOM 1423 C ASP A 89 9.413 35.130 -20.960 1.00 0.00 C ATOM 1424 O ASP A 89 8.387 34.473 -21.123 1.00 0.00 O ATOM 1425 CB ASP A 89 9.529 36.474 -18.845 1.00 0.00 C ATOM 1426 CG ASP A 89 7.991 36.504 -18.827 1.00 0.00 C ATOM 1427 OD1 ASP A 89 7.378 35.764 -18.028 1.00 0.00 O ATOM 1428 OD2 ASP A 89 7.392 37.308 -19.577 1.00 0.00 O ATOM 0 H ASP A 89 11.898 36.161 -19.239 1.00 0.00 H new ATOM 0 HA ASP A 89 9.801 34.334 -19.018 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.906 36.485 -17.822 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.905 37.373 -19.333 1.00 0.00 H new ATOM 1433 N ASP A 90 10.040 35.748 -21.969 1.00 0.00 N ATOM 1434 CA ASP A 90 9.587 35.744 -23.362 1.00 0.00 C ATOM 1435 C ASP A 90 9.704 34.362 -24.028 1.00 0.00 C ATOM 1436 O ASP A 90 9.107 34.130 -25.080 1.00 0.00 O ATOM 1437 CB ASP A 90 10.407 36.777 -24.149 1.00 0.00 C ATOM 1438 CG ASP A 90 9.952 36.895 -25.614 1.00 0.00 C ATOM 1439 OD1 ASP A 90 8.817 37.362 -25.865 1.00 0.00 O ATOM 1440 OD2 ASP A 90 10.749 36.582 -26.528 1.00 0.00 O ATOM 0 H ASP A 90 10.900 36.279 -21.833 1.00 0.00 H new ATOM 0 HA ASP A 90 8.528 36.001 -23.369 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.321 37.750 -23.665 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.461 36.499 -24.120 1.00 0.00 H new ATOM 1445 N ASP A 91 10.443 33.428 -23.422 1.00 0.00 N ATOM 1446 CA ASP A 91 10.794 32.130 -23.998 1.00 0.00 C ATOM 1447 C ASP A 91 10.316 31.023 -23.061 1.00 0.00 C ATOM 1448 O ASP A 91 11.093 30.364 -22.371 1.00 0.00 O ATOM 1449 CB ASP A 91 12.293 32.058 -24.299 1.00 0.00 C ATOM 1450 CG ASP A 91 12.698 30.705 -24.915 1.00 0.00 C ATOM 1451 OD1 ASP A 91 11.924 30.130 -25.714 1.00 0.00 O ATOM 1452 OD2 ASP A 91 13.835 30.244 -24.667 1.00 0.00 O ATOM 0 H ASP A 91 10.825 33.561 -22.486 1.00 0.00 H new ATOM 0 HA ASP A 91 10.291 31.994 -24.955 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.564 32.862 -24.983 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.855 32.219 -23.379 1.00 0.00 H new ATOM 1457 N VAL A 92 8.991 30.905 -22.985 1.00 0.00 N ATOM 1458 CA VAL A 92 8.275 29.944 -22.147 1.00 0.00 C ATOM 1459 C VAL A 92 8.746 28.510 -22.463 1.00 0.00 C ATOM 1460 O VAL A 92 9.106 28.188 -23.601 1.00 0.00 O ATOM 1461 CB VAL A 92 6.748 30.121 -22.339 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.923 29.365 -21.287 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.307 31.598 -22.294 1.00 0.00 C ATOM 0 H VAL A 92 8.363 31.499 -23.526 1.00 0.00 H new ATOM 0 HA VAL A 92 8.497 30.129 -21.096 1.00 0.00 H new ATOM 0 HB VAL A 92 6.556 29.706 -23.329 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.861 29.526 -21.473 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.144 28.299 -21.348 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.177 29.732 -20.293 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.228 31.660 -22.434 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.573 32.028 -21.328 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.808 32.152 -23.088 1.00 0.00 H new ATOM 1473 N TYR A 93 8.686 27.644 -21.454 1.00 0.00 N ATOM 1474 CA TYR A 93 9.122 26.256 -21.472 1.00 0.00 C ATOM 1475 C TYR A 93 7.979 25.354 -20.990 1.00 0.00 C ATOM 1476 O TYR A 93 6.925 25.823 -20.556 1.00 0.00 O ATOM 1477 CB TYR A 93 10.320 26.078 -20.516 1.00 0.00 C ATOM 1478 CG TYR A 93 11.475 27.052 -20.654 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.447 26.860 -21.653 1.00 0.00 C ATOM 1480 CD2 TYR A 93 11.612 28.110 -19.733 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.557 27.720 -21.733 1.00 0.00 C ATOM 1482 CE2 TYR A 93 12.720 28.973 -19.806 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.698 28.782 -20.810 1.00 0.00 C ATOM 1484 OH TYR A 93 14.796 29.588 -20.875 1.00 0.00 O ATOM 0 H TYR A 93 8.307 27.913 -20.546 1.00 0.00 H new ATOM 0 HA TYR A 93 9.410 25.987 -22.488 1.00 0.00 H new ATOM 0 HB2 TYR A 93 9.947 26.141 -19.494 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.712 25.070 -20.651 1.00 0.00 H new ATOM 0 HD1 TYR A 93 12.341 26.050 -22.360 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.864 28.258 -18.969 1.00 0.00 H new ATOM 0 HE1 TYR A 93 14.302 27.569 -22.500 1.00 0.00 H new ATOM 0 HE2 TYR A 93 12.824 29.781 -19.096 1.00 0.00 H new ATOM 0 HH TYR A 93 14.743 30.270 -20.173 1.00 0.00 H new ATOM 1494 N THR A 94 8.242 24.050 -20.997 1.00 0.00 N ATOM 1495 CA THR A 94 7.396 23.039 -20.381 1.00 0.00 C ATOM 1496 C THR A 94 8.313 22.223 -19.468 1.00 0.00 C ATOM 1497 O THR A 94 9.438 21.887 -19.851 1.00 0.00 O ATOM 1498 CB THR A 94 6.675 22.186 -21.443 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.176 22.991 -22.499 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.486 21.430 -20.842 1.00 0.00 C ATOM 0 H THR A 94 9.072 23.660 -21.444 1.00 0.00 H new ATOM 0 HA THR A 94 6.589 23.483 -19.798 1.00 0.00 H new ATOM 0 HB THR A 94 7.416 21.482 -21.821 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.725 22.423 -23.158 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.001 20.839 -21.619 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.838 20.769 -20.050 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.772 22.143 -20.430 1.00 0.00 H new ATOM 1508 N ALA A 95 7.839 21.936 -18.258 1.00 0.00 N ATOM 1509 CA ALA A 95 8.570 21.234 -17.217 1.00 0.00 C ATOM 1510 C ALA A 95 7.676 20.121 -16.687 1.00 0.00 C ATOM 1511 O ALA A 95 6.450 20.219 -16.758 1.00 0.00 O ATOM 1512 CB ALA A 95 8.926 22.221 -16.098 1.00 0.00 C ATOM 0 H ALA A 95 6.897 22.199 -17.969 1.00 0.00 H new ATOM 0 HA ALA A 95 9.495 20.808 -17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.475 21.699 -15.314 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.545 23.022 -16.503 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.012 22.644 -15.681 1.00 0.00 H new ATOM 1518 N LYS A 96 8.274 19.063 -16.140 1.00 0.00 N ATOM 1519 CA LYS A 96 7.515 18.060 -15.417 1.00 0.00 C ATOM 1520 C LYS A 96 7.079 18.705 -14.111 1.00 0.00 C ATOM 1521 O LYS A 96 7.890 19.351 -13.446 1.00 0.00 O ATOM 1522 CB LYS A 96 8.386 16.834 -15.120 1.00 0.00 C ATOM 1523 CG LYS A 96 8.768 16.027 -16.369 1.00 0.00 C ATOM 1524 CD LYS A 96 9.910 15.051 -16.055 1.00 0.00 C ATOM 1525 CE LYS A 96 11.270 15.768 -16.092 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.287 15.106 -15.242 1.00 0.00 N ATOM 0 H LYS A 96 9.277 18.884 -16.187 1.00 0.00 H new ATOM 0 HA LYS A 96 6.661 17.725 -16.005 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.296 17.160 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.855 16.182 -14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.900 15.475 -16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.071 16.704 -17.167 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.755 14.608 -15.071 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.905 14.235 -16.777 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.629 15.804 -17.120 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.142 16.799 -15.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.228 15.486 -15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.072 15.285 -14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.276 14.082 -15.421 1.00 0.00 H new ATOM 1540 N LEU A 97 5.840 18.470 -13.692 1.00 0.00 N ATOM 1541 CA LEU A 97 5.397 18.842 -12.350 1.00 0.00 C ATOM 1542 C LEU A 97 6.249 18.089 -11.315 1.00 0.00 C ATOM 1543 O LEU A 97 6.505 18.588 -10.224 1.00 0.00 O ATOM 1544 CB LEU A 97 3.903 18.522 -12.176 1.00 0.00 C ATOM 1545 CG LEU A 97 3.302 19.103 -10.878 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.328 20.637 -10.887 1.00 0.00 C ATOM 1547 CD2 LEU A 97 1.853 18.632 -10.736 1.00 0.00 C ATOM 0 H LEU A 97 5.122 18.023 -14.262 1.00 0.00 H new ATOM 0 HA LEU A 97 5.526 19.914 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.352 18.915 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.767 17.440 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 97 3.903 18.752 -10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.898 21.014 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.358 20.983 -10.976 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.747 21.006 -11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.426 19.041 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.273 18.976 -11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.827 17.543 -10.694 1.00 0.00 H new ATOM 1559 N SER A 98 6.743 16.912 -11.703 1.00 0.00 N ATOM 1560 CA SER A 98 7.663 16.059 -10.960 1.00 0.00 C ATOM 1561 C SER A 98 9.014 16.727 -10.658 1.00 0.00 C ATOM 1562 O SER A 98 9.737 16.289 -9.763 1.00 0.00 O ATOM 1563 CB SER A 98 7.851 14.800 -11.809 1.00 0.00 C ATOM 1564 OG SER A 98 6.558 14.290 -12.078 1.00 0.00 O ATOM 0 H SER A 98 6.493 16.506 -12.604 1.00 0.00 H new ATOM 0 HA SER A 98 7.244 15.837 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.375 15.034 -12.736 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.454 14.063 -11.279 1.00 0.00 H new ATOM 0 HG SER A 98 6.546 13.883 -12.969 1.00 0.00 H new ATOM 1570 N ASP A 99 9.327 17.804 -11.378 1.00 0.00 N ATOM 1571 CA ASP A 99 10.553 18.593 -11.251 1.00 0.00 C ATOM 1572 C ASP A 99 10.215 20.007 -10.751 1.00 0.00 C ATOM 1573 O ASP A 99 11.073 20.882 -10.772 1.00 0.00 O ATOM 1574 CB ASP A 99 11.309 18.643 -12.599 1.00 0.00 C ATOM 1575 CG ASP A 99 12.133 17.391 -12.933 1.00 0.00 C ATOM 1576 OD1 ASP A 99 11.627 16.253 -12.805 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.266 17.547 -13.444 1.00 0.00 O ATOM 0 H ASP A 99 8.704 18.167 -12.099 1.00 0.00 H new ATOM 0 HA ASP A 99 11.208 18.117 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.585 18.806 -13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.975 19.506 -12.592 1.00 0.00 H new ATOM 1582 N ILE A 100 8.991 20.275 -10.290 1.00 0.00 N ATOM 1583 CA ILE A 100 8.557 21.593 -9.825 1.00 0.00 C ATOM 1584 C ILE A 100 8.236 21.514 -8.336 1.00 0.00 C ATOM 1585 O ILE A 100 7.789 20.490 -7.814 1.00 0.00 O ATOM 1586 CB ILE A 100 7.380 22.100 -10.701 1.00 0.00 C ATOM 1587 CG1 ILE A 100 7.944 22.756 -11.980 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.359 23.031 -10.011 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.313 24.239 -11.875 1.00 0.00 C ATOM 0 H ILE A 100 8.260 19.567 -10.229 1.00 0.00 H new ATOM 0 HA ILE A 100 9.351 22.332 -9.936 1.00 0.00 H new ATOM 0 HB ILE A 100 6.794 21.211 -10.933 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.832 22.203 -12.285 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.208 22.642 -12.776 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.587 23.317 -10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.901 22.510 -9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.868 23.925 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.697 24.587 -12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.428 24.816 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.077 24.370 -11.109 1.00 0.00 H new ATOM 1601 N GLU A 101 8.445 22.645 -7.672 1.00 0.00 N ATOM 1602 CA GLU A 101 8.107 22.875 -6.278 1.00 0.00 C ATOM 1603 C GLU A 101 7.455 24.256 -6.228 1.00 0.00 C ATOM 1604 O GLU A 101 8.111 25.256 -6.521 1.00 0.00 O ATOM 1605 CB GLU A 101 9.388 22.785 -5.430 1.00 0.00 C ATOM 1606 CG GLU A 101 9.103 22.931 -3.930 1.00 0.00 C ATOM 1607 CD GLU A 101 10.402 22.906 -3.107 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.055 21.841 -3.023 1.00 0.00 O ATOM 1609 OE2 GLU A 101 10.779 23.948 -2.525 1.00 0.00 O ATOM 0 H GLU A 101 8.873 23.460 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 101 7.418 22.134 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.876 21.828 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.084 23.563 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.573 23.866 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.447 22.124 -3.602 1.00 0.00 H new ATOM 1616 N ALA A 102 6.155 24.326 -5.932 1.00 0.00 N ATOM 1617 CA ALA A 102 5.451 25.602 -5.880 1.00 0.00 C ATOM 1618 C ALA A 102 5.921 26.416 -4.673 1.00 0.00 C ATOM 1619 O ALA A 102 6.276 25.867 -3.627 1.00 0.00 O ATOM 1620 CB ALA A 102 3.939 25.386 -5.819 1.00 0.00 C ATOM 0 H ALA A 102 5.573 23.514 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 102 5.679 26.157 -6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.435 26.352 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.613 24.841 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.689 24.811 -4.927 1.00 0.00 H new ATOM 1626 N ILE A 103 5.858 27.735 -4.824 1.00 0.00 N ATOM 1627 CA ILE A 103 6.255 28.720 -3.828 1.00 0.00 C ATOM 1628 C ILE A 103 5.012 29.554 -3.496 1.00 0.00 C ATOM 1629 O ILE A 103 4.332 30.050 -4.396 1.00 0.00 O ATOM 1630 CB ILE A 103 7.421 29.579 -4.380 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.687 28.727 -4.642 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.772 30.729 -3.418 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.751 29.457 -5.473 1.00 0.00 C ATOM 0 H ILE A 103 5.513 28.164 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 103 6.622 28.252 -2.914 1.00 0.00 H new ATOM 0 HB ILE A 103 7.079 29.996 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.122 28.432 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.399 27.811 -5.158 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.593 31.313 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.901 31.371 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.070 30.318 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.611 28.803 -5.619 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.333 29.728 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.066 30.359 -4.949 1.00 0.00 H new ATOM 1645 N ASP A 104 4.761 29.730 -2.193 1.00 0.00 N ATOM 1646 CA ASP A 104 3.727 30.602 -1.619 1.00 0.00 C ATOM 1647 C ASP A 104 2.345 30.427 -2.275 1.00 0.00 C ATOM 1648 O ASP A 104 1.611 31.392 -2.506 1.00 0.00 O ATOM 1649 CB ASP A 104 4.229 32.057 -1.599 1.00 0.00 C ATOM 1650 CG ASP A 104 3.300 32.998 -0.807 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.891 32.652 0.325 1.00 0.00 O ATOM 1652 OD2 ASP A 104 3.025 34.124 -1.281 1.00 0.00 O ATOM 0 H ASP A 104 5.299 29.245 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 104 3.557 30.296 -0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.227 32.086 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.319 32.420 -2.623 1.00 0.00 H new ATOM 1657 N VAL A 105 2.004 29.184 -2.629 1.00 0.00 N ATOM 1658 CA VAL A 105 0.785 28.860 -3.365 1.00 0.00 C ATOM 1659 C VAL A 105 -0.360 28.520 -2.395 1.00 0.00 C ATOM 1660 O VAL A 105 -0.147 28.441 -1.179 1.00 0.00 O ATOM 1661 CB VAL A 105 1.117 27.773 -4.410 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.245 26.351 -3.839 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.158 27.845 -5.598 1.00 0.00 C ATOM 0 H VAL A 105 2.575 28.368 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 105 0.412 29.718 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 105 2.121 28.003 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.479 25.655 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.042 26.328 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.304 26.061 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.414 27.069 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.864 27.695 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.240 28.823 -6.073 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.581 28.340 -2.914 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.721 27.921 -2.101 1.00 0.00 C ATOM 1675 C ASP A 106 -2.498 26.510 -1.574 1.00 0.00 C ATOM 1676 O ASP A 106 -1.779 25.698 -2.160 1.00 0.00 O ATOM 1677 CB ASP A 106 -4.033 27.933 -2.890 1.00 0.00 C ATOM 1678 CG ASP A 106 -5.261 27.733 -1.990 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.695 28.706 -1.334 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.764 26.591 -1.907 1.00 0.00 O ATOM 0 H ASP A 106 -1.802 28.480 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.800 28.635 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.126 28.881 -3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.007 27.147 -3.644 1.00 0.00 H new ATOM 1685 N ASP A 107 -3.196 26.207 -0.494 1.00 0.00 N ATOM 1686 CA ASP A 107 -3.079 24.949 0.230 1.00 0.00 C ATOM 1687 C ASP A 107 -3.436 23.771 -0.669 1.00 0.00 C ATOM 1688 O ASP A 107 -2.720 22.774 -0.679 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.986 24.967 1.463 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.936 23.621 2.204 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.929 23.348 2.896 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.925 22.858 2.146 1.00 0.00 O ATOM 0 H ASP A 107 -3.878 26.844 -0.084 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.044 24.832 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.676 25.768 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -5.011 25.182 1.162 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.497 23.891 -1.473 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.976 22.779 -2.289 1.00 0.00 C ATOM 1699 C ASP A 108 -4.044 22.539 -3.484 1.00 0.00 C ATOM 1700 O ASP A 108 -3.884 21.406 -3.938 1.00 0.00 O ATOM 1701 CB ASP A 108 -6.418 23.065 -2.736 1.00 0.00 C ATOM 1702 CG ASP A 108 -7.238 21.807 -3.082 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.887 20.681 -2.664 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -8.313 21.963 -3.704 1.00 0.00 O ATOM 0 H ASP A 108 -5.039 24.749 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.973 21.863 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.930 23.611 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.392 23.719 -3.608 1.00 0.00 H new ATOM 1709 N THR A 109 -3.363 23.593 -3.954 1.00 0.00 N ATOM 1710 CA THR A 109 -2.333 23.483 -4.988 1.00 0.00 C ATOM 1711 C THR A 109 -1.124 22.758 -4.395 1.00 0.00 C ATOM 1712 O THR A 109 -0.634 21.791 -4.982 1.00 0.00 O ATOM 1713 CB THR A 109 -1.966 24.889 -5.505 1.00 0.00 C ATOM 1714 OG1 THR A 109 -3.148 25.547 -5.913 1.00 0.00 O ATOM 1715 CG2 THR A 109 -1.050 24.880 -6.729 1.00 0.00 C ATOM 0 H THR A 109 -3.514 24.547 -3.625 1.00 0.00 H new ATOM 0 HA THR A 109 -2.697 22.908 -5.839 1.00 0.00 H new ATOM 0 HB THR A 109 -1.448 25.382 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.815 24.883 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.838 25.905 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.117 24.374 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.542 24.354 -7.547 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.670 23.183 -3.210 1.00 0.00 N ATOM 1724 CA GLN A 110 0.488 22.593 -2.558 1.00 0.00 C ATOM 1725 C GLN A 110 0.217 21.119 -2.245 1.00 0.00 C ATOM 1726 O GLN A 110 1.102 20.294 -2.469 1.00 0.00 O ATOM 1727 CB GLN A 110 0.864 23.409 -1.301 1.00 0.00 C ATOM 1728 CG GLN A 110 2.358 23.776 -1.229 1.00 0.00 C ATOM 1729 CD GLN A 110 3.245 22.716 -0.567 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.902 22.980 0.437 1.00 0.00 O ATOM 1731 NE2 GLN A 110 3.309 21.505 -1.097 1.00 0.00 N ATOM 0 H GLN A 110 -1.099 23.944 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 110 1.347 22.627 -3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.272 24.324 -1.282 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.596 22.837 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 110 2.723 23.956 -2.240 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.463 24.712 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.764 21.284 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.903 20.793 -0.672 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.989 20.776 -1.787 1.00 0.00 N ATOM 1741 CA GLU A 111 -1.369 19.401 -1.492 1.00 0.00 C ATOM 1742 C GLU A 111 -1.379 18.544 -2.751 1.00 0.00 C ATOM 1743 O GLU A 111 -0.855 17.434 -2.711 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.747 19.352 -0.813 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.691 19.743 0.668 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.980 18.684 1.530 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -2.588 17.633 1.835 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.812 18.897 1.927 1.00 0.00 O ATOM 0 H GLU A 111 -1.732 21.453 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.623 18.995 -0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.429 20.022 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.157 18.346 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.173 20.697 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.705 19.889 1.041 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.925 19.036 -3.868 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.945 18.276 -5.112 1.00 0.00 C ATOM 1757 C ALA A 112 -0.520 17.987 -5.593 1.00 0.00 C ATOM 1758 O ALA A 112 -0.227 16.872 -6.023 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.728 19.052 -6.170 1.00 0.00 C ATOM 0 H ALA A 112 -2.358 19.958 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.437 17.319 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.743 18.484 -7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.750 19.209 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.250 20.017 -6.341 1.00 0.00 H new ATOM 1765 N ILE A 113 0.369 18.979 -5.494 1.00 0.00 N ATOM 1766 CA ILE A 113 1.769 18.827 -5.861 1.00 0.00 C ATOM 1767 C ILE A 113 2.431 17.800 -4.943 1.00 0.00 C ATOM 1768 O ILE A 113 3.062 16.873 -5.443 1.00 0.00 O ATOM 1769 CB ILE A 113 2.447 20.210 -5.824 1.00 0.00 C ATOM 1770 CG1 ILE A 113 1.902 21.041 -7.002 1.00 0.00 C ATOM 1771 CG2 ILE A 113 3.982 20.118 -5.884 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.147 22.533 -6.826 1.00 0.00 C ATOM 0 H ILE A 113 0.132 19.911 -5.155 1.00 0.00 H new ATOM 0 HA ILE A 113 1.872 18.445 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 113 2.213 20.690 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.372 20.706 -7.927 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.832 20.862 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.408 21.121 -5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.346 19.544 -5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.281 19.624 -6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.744 23.072 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.655 22.878 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.218 22.720 -6.752 1.00 0.00 H new ATOM 1784 N ALA A 114 2.279 17.931 -3.622 1.00 0.00 N ATOM 1785 CA ALA A 114 2.890 17.015 -2.668 1.00 0.00 C ATOM 1786 C ALA A 114 2.404 15.583 -2.913 1.00 0.00 C ATOM 1787 O ALA A 114 3.213 14.663 -3.004 1.00 0.00 O ATOM 1788 CB ALA A 114 2.566 17.469 -1.242 1.00 0.00 C ATOM 0 H ALA A 114 1.730 18.674 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 114 3.972 17.026 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.023 16.783 -0.529 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.958 18.473 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.486 17.474 -1.098 1.00 0.00 H new ATOM 1794 N ASP A 115 1.092 15.407 -3.078 1.00 0.00 N ATOM 1795 CA ASP A 115 0.466 14.111 -3.308 1.00 0.00 C ATOM 1796 C ASP A 115 0.986 13.458 -4.590 1.00 0.00 C ATOM 1797 O ASP A 115 1.304 12.265 -4.594 1.00 0.00 O ATOM 1798 CB ASP A 115 -1.053 14.286 -3.376 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.757 12.931 -3.478 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.964 12.305 -2.413 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.140 12.530 -4.597 1.00 0.00 O ATOM 0 H ASP A 115 0.425 16.178 -3.054 1.00 0.00 H new ATOM 0 HA ASP A 115 0.721 13.451 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.402 14.815 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.314 14.901 -4.237 1.00 0.00 H new ATOM 1806 N TRP A 116 1.148 14.253 -5.655 1.00 0.00 N ATOM 1807 CA TRP A 116 1.736 13.783 -6.901 1.00 0.00 C ATOM 1808 C TRP A 116 3.201 13.412 -6.679 1.00 0.00 C ATOM 1809 O TRP A 116 3.625 12.354 -7.131 1.00 0.00 O ATOM 1810 CB TRP A 116 1.609 14.839 -8.011 1.00 0.00 C ATOM 1811 CG TRP A 116 2.398 14.513 -9.247 1.00 0.00 C ATOM 1812 CD1 TRP A 116 3.573 15.084 -9.600 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.162 13.460 -10.235 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.077 14.454 -10.719 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.257 13.436 -11.147 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.153 12.494 -10.436 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.352 12.504 -12.191 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.222 11.568 -11.495 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.323 11.566 -12.369 1.00 0.00 C ATOM 0 H TRP A 116 0.874 15.235 -5.671 1.00 0.00 H new ATOM 0 HA TRP A 116 1.190 12.897 -7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 116 0.558 14.947 -8.279 1.00 0.00 H new ATOM 0 HB3 TRP A 116 1.939 15.803 -7.623 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.044 15.908 -9.084 1.00 0.00 H new ATOM 0 HE1 TRP A 116 4.953 14.712 -11.174 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.309 12.464 -9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.207 12.508 -12.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.424 10.855 -11.637 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.377 10.847 -13.173 1.00 0.00 H new ATOM 1830 N LEU A 117 3.980 14.244 -5.981 1.00 0.00 N ATOM 1831 CA LEU A 117 5.402 14.003 -5.764 1.00 0.00 C ATOM 1832 C LEU A 117 5.633 12.730 -4.951 1.00 0.00 C ATOM 1833 O LEU A 117 6.603 12.023 -5.224 1.00 0.00 O ATOM 1834 CB LEU A 117 6.068 15.211 -5.085 1.00 0.00 C ATOM 1835 CG LEU A 117 6.271 16.418 -6.024 1.00 0.00 C ATOM 1836 CD1 LEU A 117 6.664 17.643 -5.196 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.345 16.158 -7.088 1.00 0.00 C ATOM 0 H LEU A 117 3.638 15.104 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 117 5.865 13.863 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.458 15.521 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.036 14.905 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 117 5.329 16.591 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.808 18.498 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.873 17.867 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.591 17.438 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.449 17.038 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.297 15.948 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.053 15.303 -7.698 1.00 0.00 H new ATOM 1849 N TYR A 118 4.755 12.395 -3.999 1.00 0.00 N ATOM 1850 CA TYR A 118 4.847 11.126 -3.286 1.00 0.00 C ATOM 1851 C TYR A 118 4.655 9.977 -4.273 1.00 0.00 C ATOM 1852 O TYR A 118 5.510 9.103 -4.367 1.00 0.00 O ATOM 1853 CB TYR A 118 3.816 11.040 -2.148 1.00 0.00 C ATOM 1854 CG TYR A 118 3.824 12.170 -1.132 1.00 0.00 C ATOM 1855 CD1 TYR A 118 5.028 12.785 -0.729 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.603 12.612 -0.587 1.00 0.00 C ATOM 1857 CE1 TYR A 118 5.016 13.823 0.217 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.578 13.676 0.331 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.787 14.275 0.753 1.00 0.00 C ATOM 1860 OH TYR A 118 3.754 15.285 1.668 1.00 0.00 O ATOM 0 H TYR A 118 3.976 12.986 -3.708 1.00 0.00 H new ATOM 0 HA TYR A 118 5.835 11.055 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.822 10.989 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.975 10.102 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.966 12.455 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.680 12.131 -0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.944 14.276 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.635 14.036 0.714 1.00 0.00 H new ATOM 0 HH TYR A 118 2.825 15.464 1.925 1.00 0.00 H new ATOM 1870 N TRP A 119 3.570 9.994 -5.049 1.00 0.00 N ATOM 1871 CA TRP A 119 3.266 8.964 -6.038 1.00 0.00 C ATOM 1872 C TRP A 119 4.389 8.827 -7.077 1.00 0.00 C ATOM 1873 O TRP A 119 4.768 7.714 -7.444 1.00 0.00 O ATOM 1874 CB TRP A 119 1.915 9.323 -6.663 1.00 0.00 C ATOM 1875 CG TRP A 119 1.532 8.639 -7.936 1.00 0.00 C ATOM 1876 CD1 TRP A 119 1.790 9.114 -9.174 1.00 0.00 C ATOM 1877 CD2 TRP A 119 0.772 7.408 -8.134 1.00 0.00 C ATOM 1878 NE1 TRP A 119 1.222 8.288 -10.118 1.00 0.00 N ATOM 1879 CE2 TRP A 119 0.527 7.249 -9.532 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.230 6.429 -7.272 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -0.255 6.198 -10.039 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -0.546 5.366 -7.772 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.797 5.254 -9.151 1.00 0.00 C ATOM 0 H TRP A 119 2.870 10.734 -5.006 1.00 0.00 H new ATOM 0 HA TRP A 119 3.200 7.983 -5.568 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.139 9.117 -5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.905 10.398 -6.844 1.00 0.00 H new ATOM 0 HD1 TRP A 119 2.357 10.007 -9.391 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.304 8.427 -11.125 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.414 6.497 -6.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.438 6.117 -11.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.951 4.632 -7.092 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.405 4.444 -9.527 1.00 0.00 H new ATOM 1894 N LEU A 120 4.965 9.947 -7.514 1.00 0.00 N ATOM 1895 CA LEU A 120 6.093 10.018 -8.430 1.00 0.00 C ATOM 1896 C LEU A 120 7.294 9.295 -7.826 1.00 0.00 C ATOM 1897 O LEU A 120 7.831 8.371 -8.439 1.00 0.00 O ATOM 1898 CB LEU A 120 6.343 11.515 -8.692 1.00 0.00 C ATOM 1899 CG LEU A 120 7.397 11.942 -9.720 1.00 0.00 C ATOM 1900 CD1 LEU A 120 8.848 11.714 -9.290 1.00 0.00 C ATOM 1901 CD2 LEU A 120 7.137 11.337 -11.098 1.00 0.00 C ATOM 0 H LEU A 120 4.640 10.869 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 120 5.900 9.519 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.394 11.955 -8.998 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.614 11.971 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 120 7.278 13.024 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.519 12.047 -10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 120 9.051 12.280 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.009 10.653 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.909 11.668 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.155 10.249 -11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.161 11.661 -11.459 1.00 0.00 H new ATOM 1913 N ALA A 121 7.676 9.659 -6.598 1.00 0.00 N ATOM 1914 CA ALA A 121 8.791 9.045 -5.890 1.00 0.00 C ATOM 1915 C ALA A 121 8.535 7.566 -5.567 1.00 0.00 C ATOM 1916 O ALA A 121 9.489 6.795 -5.448 1.00 0.00 O ATOM 1917 CB ALA A 121 9.055 9.830 -4.604 1.00 0.00 C ATOM 0 H ALA A 121 7.212 10.396 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 121 9.665 9.078 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.888 9.378 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.300 10.863 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.164 9.810 -3.976 1.00 0.00 H new ATOM 1923 N ARG A 122 7.269 7.147 -5.437 1.00 0.00 N ATOM 1924 CA ARG A 122 6.891 5.763 -5.161 1.00 0.00 C ATOM 1925 C ARG A 122 7.112 4.854 -6.375 1.00 0.00 C ATOM 1926 O ARG A 122 6.992 3.638 -6.226 1.00 0.00 O ATOM 1927 CB ARG A 122 5.426 5.739 -4.681 1.00 0.00 C ATOM 1928 CG ARG A 122 5.293 6.244 -3.243 1.00 0.00 C ATOM 1929 CD ARG A 122 5.495 5.145 -2.200 1.00 0.00 C ATOM 1930 NE ARG A 122 4.209 4.734 -1.633 1.00 0.00 N ATOM 1931 CZ ARG A 122 3.790 4.923 -0.376 1.00 0.00 C ATOM 1932 NH1 ARG A 122 4.616 5.336 0.588 1.00 0.00 N ATOM 1933 NH2 ARG A 122 2.510 4.693 -0.133 1.00 0.00 N ATOM 0 H ARG A 122 6.469 7.774 -5.523 1.00 0.00 H new ATOM 0 HA ARG A 122 7.533 5.366 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.817 6.356 -5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.038 4.723 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.023 7.036 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.306 6.686 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.988 4.287 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.151 5.504 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 122 3.565 4.254 -2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 122 5.597 5.517 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.266 5.471 1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.895 4.387 -0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.138 4.822 0.808 1.00 0.00 H new ATOM 1947 N GLY A 123 7.458 5.399 -7.548 1.00 0.00 N ATOM 1948 CA GLY A 123 7.753 4.600 -8.729 1.00 0.00 C ATOM 1949 C GLY A 123 6.471 3.966 -9.254 1.00 0.00 C ATOM 1950 O GLY A 123 6.363 2.737 -9.305 1.00 0.00 O ATOM 0 H GLY A 123 7.539 6.405 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 123 8.203 5.226 -9.500 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.479 3.825 -8.483 1.00 0.00 H new ATOM 1954 N TYR A 124 5.478 4.807 -9.564 1.00 0.00 N ATOM 1955 CA TYR A 124 4.194 4.378 -10.104 1.00 0.00 C ATOM 1956 C TYR A 124 4.340 3.557 -11.390 1.00 0.00 C ATOM 1957 O TYR A 124 5.380 3.566 -12.057 1.00 0.00 O ATOM 1958 CB TYR A 124 3.275 5.581 -10.325 1.00 0.00 C ATOM 1959 CG TYR A 124 3.747 6.591 -11.356 1.00 0.00 C ATOM 1960 CD1 TYR A 124 3.641 6.334 -12.737 1.00 0.00 C ATOM 1961 CD2 TYR A 124 4.242 7.830 -10.922 1.00 0.00 C ATOM 1962 CE1 TYR A 124 4.035 7.304 -13.673 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.605 8.817 -11.847 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.509 8.562 -13.234 1.00 0.00 C ATOM 1965 OH TYR A 124 4.851 9.531 -14.127 1.00 0.00 O ATOM 0 H TYR A 124 5.550 5.817 -9.443 1.00 0.00 H new ATOM 0 HA TYR A 124 3.740 3.719 -9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.294 5.214 -10.626 1.00 0.00 H new ATOM 0 HB3 TYR A 124 3.145 6.095 -9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.254 5.385 -13.078 1.00 0.00 H new ATOM 0 HD2 TYR A 124 4.344 8.024 -9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 124 3.976 7.089 -14.730 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.959 9.776 -11.499 1.00 0.00 H new ATOM 0 HH TYR A 124 4.551 9.271 -15.023 1.00 0.00 H new ATOM 1975 N LYS A 125 3.252 2.866 -11.748 1.00 0.00 N ATOM 1976 CA LYS A 125 3.228 1.847 -12.802 1.00 0.00 C ATOM 1977 C LYS A 125 1.928 1.895 -13.610 1.00 0.00 C ATOM 1978 O LYS A 125 1.567 0.891 -14.232 1.00 0.00 O ATOM 1979 CB LYS A 125 3.416 0.459 -12.154 1.00 0.00 C ATOM 1980 CG LYS A 125 4.694 0.388 -11.306 1.00 0.00 C ATOM 1981 CD LYS A 125 4.978 -1.005 -10.732 1.00 0.00 C ATOM 1982 CE LYS A 125 6.322 -1.040 -9.983 1.00 0.00 C ATOM 1983 NZ LYS A 125 6.380 -0.111 -8.823 1.00 0.00 N ATOM 0 H LYS A 125 2.344 3.003 -11.303 1.00 0.00 H new ATOM 0 HA LYS A 125 4.041 2.045 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 125 2.553 0.231 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.455 -0.302 -12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.542 0.699 -11.916 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.614 1.100 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.174 -1.292 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.990 -1.737 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.508 -2.056 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 125 7.123 -0.790 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.262 -0.269 -8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.352 0.871 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.567 -0.284 -8.198 1.00 0.00 H new ATOM 1997 N PHE A 126 1.192 3.014 -13.546 1.00 0.00 N ATOM 1998 CA PHE A 126 -0.031 3.179 -14.325 1.00 0.00 C ATOM 1999 C PHE A 126 0.228 2.872 -15.805 1.00 0.00 C ATOM 2000 O PHE A 126 1.308 3.229 -16.329 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.700 4.543 -14.088 1.00 0.00 C ATOM 2002 CG PHE A 126 -0.113 5.771 -14.769 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -0.307 5.973 -16.150 1.00 0.00 C ATOM 2004 CD2 PHE A 126 0.539 6.767 -14.016 1.00 0.00 C ATOM 2005 CE1 PHE A 126 0.183 7.131 -16.776 1.00 0.00 C ATOM 2006 CE2 PHE A 126 0.991 7.947 -14.636 1.00 0.00 C ATOM 2007 CZ PHE A 126 0.821 8.127 -16.019 1.00 0.00 C ATOM 2008 OXT PHE A 126 -0.652 2.241 -16.422 1.00 0.00 O ATOM 0 H PHE A 126 1.428 3.815 -12.961 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.759 2.448 -13.972 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -1.742 4.459 -14.398 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.701 4.729 -13.014 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -0.836 5.232 -16.731 1.00 0.00 H new ATOM 0 HD2 PHE A 126 0.693 6.624 -12.957 1.00 0.00 H new ATOM 0 HE1 PHE A 126 0.069 7.256 -17.843 1.00 0.00 H new ATOM 0 HE2 PHE A 126 1.470 8.716 -14.047 1.00 0.00 H new ATOM 0 HZ PHE A 126 1.179 9.027 -16.497 1.00 0.00 H new TER 2018 PHE A 126