USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 531 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 76 MET CE :methyl -153:sc= -3.15! (180deg=-4.81!) USER MOD Set 1.2: A 77 THR OG1 : rot 49:sc= 1.44 USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc=-0.00228 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 5 THR OG1 : rot -61:sc= -0.249 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -36:sc= -1.1 USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00927 USER MOD Single : A 41 SER OG : rot 72:sc= 1.17 USER MOD Single : A 46 ASN : amide:sc= 0.0875 K(o=0.087,f=-0.47) USER MOD Single : A 47 THR OG1 : rot -97:sc= -3.96! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.814 K(o=-0.81,f=-12!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.54! C(o=-8.5!,f=-11!) USER MOD Single : A 80 SER OG : rot 20:sc= -5.23! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 65.120 11.130 0.464 1.00 0.00 N ATOM 35 CA LEU A 3 65.024 9.819 -0.173 1.00 0.00 C ATOM 36 C LEU A 3 66.307 9.020 0.072 1.00 0.00 C ATOM 37 O LEU A 3 67.098 9.358 0.952 1.00 0.00 O ATOM 38 CB LEU A 3 64.773 9.976 -1.674 1.00 0.00 C ATOM 39 CG LEU A 3 65.940 10.551 -2.480 1.00 0.00 C ATOM 40 CD1 LEU A 3 65.897 9.998 -3.907 1.00 0.00 C ATOM 41 CD2 LEU A 3 65.825 12.081 -2.523 1.00 0.00 C ATOM 0 HA LEU A 3 64.185 9.277 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 3 64.516 9.000 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 3 63.905 10.620 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 3 66.881 10.268 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 3 66.728 10.408 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.976 8.911 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.956 10.281 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 3 66.656 12.492 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 3 64.884 12.362 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 3 65.854 12.477 -1.508 1.00 0.00 H new ATOM 53 N LEU A 4 66.506 7.953 -0.702 1.00 0.00 N ATOM 54 CA LEU A 4 67.700 7.121 -0.532 1.00 0.00 C ATOM 55 C LEU A 4 68.558 7.145 -1.796 1.00 0.00 C ATOM 56 O LEU A 4 68.109 7.577 -2.858 1.00 0.00 O ATOM 57 CB LEU A 4 67.299 5.675 -0.208 1.00 0.00 C ATOM 58 CG LEU A 4 68.001 5.060 1.005 1.00 0.00 C ATOM 59 CD1 LEU A 4 67.373 5.608 2.287 1.00 0.00 C ATOM 60 CD2 LEU A 4 67.837 3.538 0.967 1.00 0.00 C ATOM 0 H LEU A 4 65.871 7.647 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 4 68.282 7.526 0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 4 66.223 5.642 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 4 67.504 5.054 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 4 69.061 5.314 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 4 67.872 5.171 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.485 6.692 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 4 66.314 5.352 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 4 68.336 3.097 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 4 66.777 3.286 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.281 3.147 0.052 1.00 0.00 H new ATOM 72 N THR A 5 69.797 6.676 -1.671 1.00 0.00 N ATOM 73 CA THR A 5 70.703 6.656 -2.816 1.00 0.00 C ATOM 74 C THR A 5 71.513 5.362 -2.860 1.00 0.00 C ATOM 75 O THR A 5 71.513 4.567 -1.916 1.00 0.00 O ATOM 76 CB THR A 5 71.668 7.840 -2.754 1.00 0.00 C ATOM 77 OG1 THR A 5 72.119 8.015 -1.418 1.00 0.00 O ATOM 78 CG2 THR A 5 70.949 9.103 -3.222 1.00 0.00 C ATOM 0 H THR A 5 70.192 6.311 -0.804 1.00 0.00 H new ATOM 0 HA THR A 5 70.091 6.723 -3.716 1.00 0.00 H new ATOM 0 HB THR A 5 72.524 7.648 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 5 71.353 8.200 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 5 71.635 9.949 -3.179 1.00 0.00 H new ATOM 0 HG22 THR A 5 70.605 8.967 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 5 70.094 9.296 -2.574 1.00 0.00 H new ATOM 86 N LEU A 6 72.212 5.172 -3.975 1.00 0.00 N ATOM 87 CA LEU A 6 73.041 3.983 -4.157 1.00 0.00 C ATOM 88 C LEU A 6 74.158 3.973 -3.126 1.00 0.00 C ATOM 89 O LEU A 6 74.412 2.969 -2.462 1.00 0.00 O ATOM 90 CB LEU A 6 73.666 3.968 -5.553 1.00 0.00 C ATOM 91 CG LEU A 6 72.692 4.198 -6.712 1.00 0.00 C ATOM 92 CD1 LEU A 6 73.479 4.586 -7.967 1.00 0.00 C ATOM 93 CD2 LEU A 6 71.903 2.914 -6.978 1.00 0.00 C ATOM 0 H LEU A 6 72.222 5.821 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 6 72.407 3.105 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 6 74.440 4.734 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 6 74.160 3.008 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 6 72.000 5.000 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 6 72.788 4.750 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 6 74.040 5.501 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 6 74.170 3.784 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 6 71.210 3.077 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 6 72.592 2.110 -7.237 1.00 0.00 H new ATOM 0 HD23 LEU A 6 71.344 2.638 -6.084 1.00 0.00 H new ATOM 105 N SER A 7 74.819 5.116 -3.007 1.00 0.00 N ATOM 106 CA SER A 7 75.924 5.267 -2.060 1.00 0.00 C ATOM 107 C SER A 7 75.472 4.936 -0.636 1.00 0.00 C ATOM 108 O SER A 7 76.268 4.500 0.195 1.00 0.00 O ATOM 109 CB SER A 7 76.466 6.700 -2.101 1.00 0.00 C ATOM 110 OG SER A 7 77.874 6.662 -2.294 1.00 0.00 O ATOM 0 H SER A 7 74.613 5.953 -3.552 1.00 0.00 H new ATOM 0 HA SER A 7 76.712 4.571 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 7 75.991 7.258 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 7 76.228 7.218 -1.172 1.00 0.00 H new ATOM 0 HG SER A 7 78.225 7.577 -2.323 1.00 0.00 H new ATOM 116 N ASP A 8 74.186 5.147 -0.365 1.00 0.00 N ATOM 117 CA ASP A 8 73.647 4.865 0.958 1.00 0.00 C ATOM 118 C ASP A 8 73.608 3.363 1.206 1.00 0.00 C ATOM 119 O ASP A 8 74.294 2.845 2.083 1.00 0.00 O ATOM 120 CB ASP A 8 72.226 5.421 1.088 1.00 0.00 C ATOM 121 CG ASP A 8 72.255 6.947 1.154 1.00 0.00 C ATOM 122 OD1 ASP A 8 73.286 7.494 1.515 1.00 0.00 O ATOM 123 OD2 ASP A 8 71.237 7.547 0.848 1.00 0.00 O ATOM 0 H ASP A 8 73.507 5.508 -1.036 1.00 0.00 H new ATOM 0 HA ASP A 8 74.295 5.343 1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 8 71.624 5.099 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 8 71.753 5.021 1.985 1.00 0.00 H new ATOM 128 N LEU A 9 72.787 2.668 0.426 1.00 0.00 N ATOM 129 CA LEU A 9 72.654 1.219 0.579 1.00 0.00 C ATOM 130 C LEU A 9 73.996 0.512 0.394 1.00 0.00 C ATOM 131 O LEU A 9 74.248 -0.530 0.998 1.00 0.00 O ATOM 132 CB LEU A 9 71.660 0.660 -0.438 1.00 0.00 C ATOM 133 CG LEU A 9 71.449 -0.855 -0.370 1.00 0.00 C ATOM 134 CD1 LEU A 9 70.359 -1.175 0.653 1.00 0.00 C ATOM 135 CD2 LEU A 9 71.026 -1.375 -1.747 1.00 0.00 C ATOM 0 H LEU A 9 72.210 3.075 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 9 72.292 1.035 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 9 70.699 1.153 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.003 0.920 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 9 72.380 -1.337 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 9 70.210 -2.254 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 9 70.661 -0.807 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 9 69.428 -0.693 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 9 70.876 -2.454 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 9 70.096 -0.892 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.804 -1.150 -2.476 1.00 0.00 H new ATOM 147 N LEU A 10 74.843 1.072 -0.464 1.00 0.00 N ATOM 148 CA LEU A 10 76.145 0.467 -0.740 1.00 0.00 C ATOM 149 C LEU A 10 77.084 0.558 0.464 1.00 0.00 C ATOM 150 O LEU A 10 77.646 -0.445 0.902 1.00 0.00 O ATOM 151 CB LEU A 10 76.798 1.141 -1.951 1.00 0.00 C ATOM 152 CG LEU A 10 76.519 0.469 -3.302 1.00 0.00 C ATOM 153 CD1 LEU A 10 77.171 -0.915 -3.329 1.00 0.00 C ATOM 154 CD2 LEU A 10 75.007 0.324 -3.512 1.00 0.00 C ATOM 0 H LEU A 10 74.656 1.934 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 10 75.972 -0.588 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 10 76.456 2.175 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.876 1.170 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 10 76.934 1.085 -4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.973 -1.392 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 10 78.247 -0.813 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 10 76.758 -1.527 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.817 -0.154 -4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.586 -0.287 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 10 74.542 1.310 -3.499 1.00 0.00 H new ATOM 166 N THR A 11 77.265 1.769 0.984 1.00 0.00 N ATOM 167 CA THR A 11 78.161 1.978 2.127 1.00 0.00 C ATOM 168 C THR A 11 77.778 1.073 3.304 1.00 0.00 C ATOM 169 O THR A 11 78.630 0.462 3.942 1.00 0.00 O ATOM 170 CB THR A 11 78.163 3.469 2.544 1.00 0.00 C ATOM 171 OG1 THR A 11 79.432 3.799 3.092 1.00 0.00 O ATOM 172 CG2 THR A 11 77.071 3.783 3.581 1.00 0.00 C ATOM 0 H THR A 11 76.810 2.615 0.640 1.00 0.00 H new ATOM 0 HA THR A 11 79.172 1.707 1.823 1.00 0.00 H new ATOM 0 HB THR A 11 77.958 4.063 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 11 79.439 4.743 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 11 77.111 4.840 3.843 1.00 0.00 H new ATOM 0 HG22 THR A 11 76.093 3.550 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 11 77.234 3.181 4.475 1.00 0.00 H new ATOM 180 N LEU A 12 76.485 1.006 3.581 1.00 0.00 N ATOM 181 CA LEU A 12 76.009 0.172 4.680 1.00 0.00 C ATOM 182 C LEU A 12 76.292 -1.288 4.374 1.00 0.00 C ATOM 183 O LEU A 12 76.649 -2.071 5.255 1.00 0.00 O ATOM 184 CB LEU A 12 74.509 0.355 4.892 1.00 0.00 C ATOM 185 CG LEU A 12 74.065 1.801 5.088 1.00 0.00 C ATOM 186 CD1 LEU A 12 72.543 1.859 5.208 1.00 0.00 C ATOM 187 CD2 LEU A 12 74.702 2.358 6.361 1.00 0.00 C ATOM 0 H LEU A 12 75.757 1.507 3.073 1.00 0.00 H new ATOM 0 HA LEU A 12 76.532 0.473 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 12 73.981 -0.060 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.205 -0.225 5.763 1.00 0.00 H new ATOM 0 HG LEU A 12 74.380 2.398 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 12 72.228 2.893 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 12 72.091 1.462 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.222 1.263 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.386 3.392 6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 12 74.387 1.761 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 12 75.788 2.319 6.272 1.00 0.00 H new ATOM 199 N LEU A 13 76.127 -1.643 3.105 1.00 0.00 N ATOM 200 CA LEU A 13 76.368 -3.014 2.674 1.00 0.00 C ATOM 201 C LEU A 13 77.851 -3.358 2.791 1.00 0.00 C ATOM 202 O LEU A 13 78.218 -4.364 3.399 1.00 0.00 O ATOM 203 CB LEU A 13 75.896 -3.224 1.228 1.00 0.00 C ATOM 204 CG LEU A 13 74.685 -4.153 1.079 1.00 0.00 C ATOM 205 CD1 LEU A 13 74.382 -4.368 -0.405 1.00 0.00 C ATOM 206 CD2 LEU A 13 74.991 -5.502 1.740 1.00 0.00 C ATOM 0 H LEU A 13 75.831 -1.008 2.364 1.00 0.00 H new ATOM 0 HA LEU A 13 75.798 -3.676 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 13 75.648 -2.254 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 76.723 -3.630 0.645 1.00 0.00 H new ATOM 0 HG LEU A 13 73.820 -3.699 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 13 73.521 -5.028 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 74.162 -3.409 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 13 75.247 -4.820 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 74.130 -6.163 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 13 75.857 -5.955 1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 75.203 -5.349 2.798 1.00 0.00 H new ATOM 218 N ARG A 14 78.698 -2.516 2.207 1.00 0.00 N ATOM 219 CA ARG A 14 80.136 -2.760 2.268 1.00 0.00 C ATOM 220 C ARG A 14 80.636 -2.580 3.699 1.00 0.00 C ATOM 221 O ARG A 14 81.577 -3.251 4.128 1.00 0.00 O ATOM 222 CB ARG A 14 80.903 -1.824 1.322 1.00 0.00 C ATOM 223 CG ARG A 14 80.645 -0.365 1.701 1.00 0.00 C ATOM 224 CD ARG A 14 81.769 0.134 2.614 1.00 0.00 C ATOM 225 NE ARG A 14 81.816 1.598 2.630 1.00 0.00 N ATOM 226 CZ ARG A 14 82.858 2.272 3.141 1.00 0.00 C ATOM 227 NH1 ARG A 14 83.888 1.644 3.655 1.00 0.00 N ATOM 228 NH2 ARG A 14 82.845 3.576 3.127 1.00 0.00 N ATOM 0 H ARG A 14 78.423 -1.677 1.697 1.00 0.00 H new ATOM 0 HA ARG A 14 80.317 -3.786 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 14 81.971 -2.038 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.592 -2.001 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.591 0.251 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.684 -0.275 2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 14 81.615 -0.240 3.626 1.00 0.00 H new ATOM 0 HD3 ARG A 14 82.725 -0.261 2.270 1.00 0.00 H new ATOM 0 HE ARG A 14 81.032 2.122 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 14 83.907 0.624 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 14 84.670 2.175 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 14 82.048 4.074 2.730 1.00 0.00 H new ATOM 0 HH22 ARG A 14 83.632 4.098 3.513 1.00 0.00 H new ATOM 242 N GLU A 15 79.992 -1.678 4.441 1.00 0.00 N ATOM 243 CA GLU A 15 80.382 -1.441 5.827 1.00 0.00 C ATOM 244 C GLU A 15 80.056 -2.670 6.668 1.00 0.00 C ATOM 245 O GLU A 15 80.876 -3.142 7.455 1.00 0.00 O ATOM 246 CB GLU A 15 79.645 -0.220 6.398 1.00 0.00 C ATOM 247 CG GLU A 15 80.107 0.053 7.841 1.00 0.00 C ATOM 248 CD GLU A 15 80.822 1.399 7.913 1.00 0.00 C ATOM 249 OE1 GLU A 15 80.211 2.392 7.554 1.00 0.00 O ATOM 250 OE2 GLU A 15 81.969 1.417 8.327 1.00 0.00 O ATOM 0 H GLU A 15 79.212 -1.110 4.111 1.00 0.00 H new ATOM 0 HA GLU A 15 81.454 -1.247 5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 79.837 0.654 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 15 78.569 -0.394 6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 15 79.249 0.051 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 80.775 -0.741 8.174 1.00 0.00 H new ATOM 257 N CYS A 16 78.846 -3.186 6.482 1.00 0.00 N ATOM 258 CA CYS A 16 78.408 -4.368 7.213 1.00 0.00 C ATOM 259 C CYS A 16 79.239 -5.573 6.795 1.00 0.00 C ATOM 260 O CYS A 16 79.605 -6.414 7.615 1.00 0.00 O ATOM 261 CB CYS A 16 76.939 -4.653 6.916 1.00 0.00 C ATOM 262 SG CYS A 16 76.195 -5.527 8.315 1.00 0.00 S ATOM 0 H CYS A 16 78.155 -2.807 5.835 1.00 0.00 H new ATOM 0 HA CYS A 16 78.536 -4.184 8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 16 76.407 -3.720 6.733 1.00 0.00 H new ATOM 0 HB3 CYS A 16 76.850 -5.253 6.011 1.00 0.00 H new ATOM 0 HG CYS A 16 77.064 -6.347 8.826 1.00 0.00 H new ATOM 268 N ALA A 17 79.529 -5.641 5.500 1.00 0.00 N ATOM 269 CA ALA A 17 80.320 -6.744 4.961 1.00 0.00 C ATOM 270 C ALA A 17 81.713 -6.752 5.581 1.00 0.00 C ATOM 271 O ALA A 17 82.304 -7.809 5.806 1.00 0.00 O ATOM 272 CB ALA A 17 80.451 -6.618 3.442 1.00 0.00 C ATOM 0 H ALA A 17 79.232 -4.953 4.809 1.00 0.00 H new ATOM 0 HA ALA A 17 79.808 -7.675 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 17 81.043 -7.448 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 17 79.460 -6.639 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 17 80.943 -5.677 3.196 1.00 0.00 H new ATOM 417 N VAL A 29 77.261 -2.992 -10.342 1.00 0.00 N ATOM 418 CA VAL A 29 76.519 -4.117 -9.778 1.00 0.00 C ATOM 419 C VAL A 29 75.209 -3.639 -9.159 1.00 0.00 C ATOM 420 O VAL A 29 74.707 -4.227 -8.200 1.00 0.00 O ATOM 421 CB VAL A 29 77.350 -4.821 -8.703 1.00 0.00 C ATOM 422 CG1 VAL A 29 78.573 -5.473 -9.350 1.00 0.00 C ATOM 423 CG2 VAL A 29 77.808 -3.797 -7.663 1.00 0.00 C ATOM 0 HA VAL A 29 76.304 -4.815 -10.587 1.00 0.00 H new ATOM 0 HB VAL A 29 76.745 -5.587 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 29 79.165 -5.975 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 29 78.247 -6.202 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 29 79.179 -4.708 -9.835 1.00 0.00 H new ATOM 0 HG21 VAL A 29 78.400 -4.297 -6.896 1.00 0.00 H new ATOM 0 HG22 VAL A 29 78.414 -3.032 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 29 76.937 -3.332 -7.202 1.00 0.00 H new ATOM 433 N GLU A 30 74.659 -2.564 -9.718 1.00 0.00 N ATOM 434 CA GLU A 30 73.407 -2.011 -9.220 1.00 0.00 C ATOM 435 C GLU A 30 72.220 -2.867 -9.663 1.00 0.00 C ATOM 436 O GLU A 30 71.184 -2.910 -8.997 1.00 0.00 O ATOM 437 CB GLU A 30 73.227 -0.581 -9.735 1.00 0.00 C ATOM 438 CG GLU A 30 73.173 -0.573 -11.268 1.00 0.00 C ATOM 439 CD GLU A 30 73.918 0.646 -11.803 1.00 0.00 C ATOM 440 OE1 GLU A 30 73.770 1.708 -11.222 1.00 0.00 O ATOM 441 OE2 GLU A 30 74.625 0.499 -12.786 1.00 0.00 O ATOM 0 H GLU A 30 75.059 -2.063 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 30 73.446 -2.005 -8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 72.310 -0.153 -9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 74.050 0.044 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.620 -1.486 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.137 -0.554 -11.605 1.00 0.00 H new ATOM 448 N ASP A 31 72.385 -3.544 -10.796 1.00 0.00 N ATOM 449 CA ASP A 31 71.329 -4.397 -11.329 1.00 0.00 C ATOM 450 C ASP A 31 71.715 -5.874 -11.220 1.00 0.00 C ATOM 451 O ASP A 31 71.215 -6.715 -11.965 1.00 0.00 O ATOM 452 CB ASP A 31 71.058 -4.054 -12.794 1.00 0.00 C ATOM 453 CG ASP A 31 70.172 -2.815 -12.870 1.00 0.00 C ATOM 454 OD1 ASP A 31 68.986 -2.943 -12.615 1.00 0.00 O ATOM 455 OD2 ASP A 31 70.693 -1.757 -13.184 1.00 0.00 O ATOM 0 H ASP A 31 73.235 -3.519 -11.359 1.00 0.00 H new ATOM 0 HA ASP A 31 70.428 -4.221 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.998 -3.875 -13.317 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.572 -4.893 -13.291 1.00 0.00 H new ATOM 460 N VAL A 32 72.597 -6.181 -10.268 1.00 0.00 N ATOM 461 CA VAL A 32 73.028 -7.557 -10.051 1.00 0.00 C ATOM 462 C VAL A 32 72.475 -8.054 -8.718 1.00 0.00 C ATOM 463 O VAL A 32 72.605 -7.384 -7.693 1.00 0.00 O ATOM 464 CB VAL A 32 74.556 -7.644 -10.028 1.00 0.00 C ATOM 465 CG1 VAL A 32 74.985 -9.111 -9.959 1.00 0.00 C ATOM 466 CG2 VAL A 32 75.120 -7.008 -11.301 1.00 0.00 C ATOM 0 H VAL A 32 73.023 -5.499 -9.640 1.00 0.00 H new ATOM 0 HA VAL A 32 72.653 -8.176 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 32 74.937 -7.114 -9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 32 76.073 -9.171 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.583 -9.566 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 74.605 -9.643 -10.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 76.208 -7.069 -11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 32 74.738 -7.539 -12.173 1.00 0.00 H new ATOM 0 HG23 VAL A 32 74.816 -5.963 -11.351 1.00 0.00 H new ATOM 476 N ALA A 33 71.837 -9.223 -8.740 1.00 0.00 N ATOM 477 CA ALA A 33 71.246 -9.784 -7.521 1.00 0.00 C ATOM 478 C ALA A 33 72.277 -9.887 -6.400 1.00 0.00 C ATOM 479 O ALA A 33 73.477 -10.013 -6.646 1.00 0.00 O ATOM 480 CB ALA A 33 70.665 -11.172 -7.783 1.00 0.00 C ATOM 0 H ALA A 33 71.716 -9.796 -9.575 1.00 0.00 H new ATOM 0 HA ALA A 33 70.449 -9.106 -7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 33 70.233 -11.565 -6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 33 69.891 -11.104 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 71.456 -11.839 -8.126 1.00 0.00 H new ATOM 486 N PHE A 34 71.788 -9.833 -5.164 1.00 0.00 N ATOM 487 CA PHE A 34 72.667 -9.920 -3.999 1.00 0.00 C ATOM 488 C PHE A 34 73.422 -11.246 -3.993 1.00 0.00 C ATOM 489 O PHE A 34 74.557 -11.329 -3.525 1.00 0.00 O ATOM 490 CB PHE A 34 71.859 -9.802 -2.705 1.00 0.00 C ATOM 491 CG PHE A 34 71.224 -8.434 -2.625 1.00 0.00 C ATOM 492 CD1 PHE A 34 72.026 -7.286 -2.602 1.00 0.00 C ATOM 493 CD2 PHE A 34 69.830 -8.313 -2.572 1.00 0.00 C ATOM 494 CE1 PHE A 34 71.435 -6.020 -2.525 1.00 0.00 C ATOM 495 CE2 PHE A 34 69.240 -7.046 -2.497 1.00 0.00 C ATOM 496 CZ PHE A 34 70.042 -5.900 -2.472 1.00 0.00 C ATOM 0 H PHE A 34 70.798 -9.730 -4.943 1.00 0.00 H new ATOM 0 HA PHE A 34 73.380 -9.097 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 34 71.089 -10.573 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 34 72.507 -9.964 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 34 73.101 -7.378 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 34 69.210 -9.197 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 34 72.054 -5.135 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 34 68.165 -6.953 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 34 69.586 -4.923 -2.412 1.00 0.00 H new ATOM 506 N ASP A 35 72.778 -12.284 -4.522 1.00 0.00 N ATOM 507 CA ASP A 35 73.401 -13.604 -4.575 1.00 0.00 C ATOM 508 C ASP A 35 74.656 -13.560 -5.441 1.00 0.00 C ATOM 509 O ASP A 35 75.644 -14.239 -5.164 1.00 0.00 O ATOM 510 CB ASP A 35 72.429 -14.636 -5.155 1.00 0.00 C ATOM 511 CG ASP A 35 73.027 -16.033 -5.021 1.00 0.00 C ATOM 512 OD1 ASP A 35 73.930 -16.345 -5.780 1.00 0.00 O ATOM 513 OD2 ASP A 35 72.573 -16.771 -4.163 1.00 0.00 O ATOM 0 H ASP A 35 71.838 -12.239 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 35 73.667 -13.893 -3.558 1.00 0.00 H new ATOM 0 HB2 ASP A 35 71.474 -14.586 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 35 72.229 -14.414 -6.203 1.00 0.00 H new ATOM 518 N ALA A 36 74.605 -12.747 -6.492 1.00 0.00 N ATOM 519 CA ALA A 36 75.740 -12.611 -7.396 1.00 0.00 C ATOM 520 C ALA A 36 76.871 -11.845 -6.716 1.00 0.00 C ATOM 521 O ALA A 36 78.044 -12.196 -6.848 1.00 0.00 O ATOM 522 CB ALA A 36 75.324 -11.869 -8.668 1.00 0.00 C ATOM 0 H ALA A 36 73.796 -12.177 -6.737 1.00 0.00 H new ATOM 0 HA ALA A 36 76.086 -13.611 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 36 76.183 -11.776 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 74.534 -12.426 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 36 74.958 -10.876 -8.407 1.00 0.00 H new ATOM 528 N LEU A 37 76.505 -10.795 -5.986 1.00 0.00 N ATOM 529 CA LEU A 37 77.497 -9.984 -5.284 1.00 0.00 C ATOM 530 C LEU A 37 78.229 -10.827 -4.246 1.00 0.00 C ATOM 531 O LEU A 37 79.418 -10.633 -3.992 1.00 0.00 O ATOM 532 CB LEU A 37 76.826 -8.803 -4.579 1.00 0.00 C ATOM 533 CG LEU A 37 75.814 -8.028 -5.425 1.00 0.00 C ATOM 534 CD1 LEU A 37 75.312 -6.816 -4.638 1.00 0.00 C ATOM 535 CD2 LEU A 37 76.485 -7.553 -6.715 1.00 0.00 C ATOM 0 H LEU A 37 75.540 -10.488 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 37 78.207 -9.609 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 37 76.322 -9.173 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 37 77.600 -8.113 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 37 74.973 -8.677 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 37 74.591 -6.264 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 74.834 -7.152 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 37 76.153 -6.167 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 37 75.764 -7.001 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 37 77.326 -6.904 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 37 76.844 -8.415 -7.277 1.00 0.00 H new ATOM 547 N GLY A 38 77.502 -11.766 -3.651 1.00 0.00 N ATOM 548 CA GLY A 38 78.084 -12.641 -2.638 1.00 0.00 C ATOM 549 C GLY A 38 77.582 -12.276 -1.243 1.00 0.00 C ATOM 550 O GLY A 38 78.261 -12.516 -0.245 1.00 0.00 O ATOM 0 H GLY A 38 76.517 -11.941 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 38 77.831 -13.678 -2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 79.171 -12.565 -2.668 1.00 0.00 H new ATOM 554 N TYR A 39 76.385 -11.695 -1.182 1.00 0.00 N ATOM 555 CA TYR A 39 75.808 -11.307 0.102 1.00 0.00 C ATOM 556 C TYR A 39 75.011 -12.462 0.696 1.00 0.00 C ATOM 557 O TYR A 39 74.281 -13.159 -0.008 1.00 0.00 O ATOM 558 CB TYR A 39 74.883 -10.100 -0.067 1.00 0.00 C ATOM 559 CG TYR A 39 75.710 -8.847 -0.229 1.00 0.00 C ATOM 560 CD1 TYR A 39 76.664 -8.506 0.738 1.00 0.00 C ATOM 561 CD2 TYR A 39 75.522 -8.025 -1.347 1.00 0.00 C ATOM 562 CE1 TYR A 39 77.430 -7.344 0.586 1.00 0.00 C ATOM 563 CE2 TYR A 39 76.288 -6.863 -1.497 1.00 0.00 C ATOM 564 CZ TYR A 39 77.241 -6.523 -0.531 1.00 0.00 C ATOM 565 OH TYR A 39 77.996 -5.377 -0.680 1.00 0.00 O ATOM 0 H TYR A 39 75.804 -11.485 -1.994 1.00 0.00 H new ATOM 0 HA TYR A 39 76.626 -11.045 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 39 74.242 -10.240 -0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 39 74.229 -10.006 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.809 -9.139 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 39 74.786 -8.287 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 39 78.167 -7.081 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 39 76.143 -6.229 -2.359 1.00 0.00 H new ATOM 0 HH TYR A 39 77.740 -4.922 -1.510 1.00 0.00 H new ATOM 575 N ASP A 40 75.158 -12.657 2.004 1.00 0.00 N ATOM 576 CA ASP A 40 74.444 -13.731 2.688 1.00 0.00 C ATOM 577 C ASP A 40 73.022 -13.296 3.008 1.00 0.00 C ATOM 578 O ASP A 40 72.055 -13.789 2.429 1.00 0.00 O ATOM 579 CB ASP A 40 75.158 -14.106 3.988 1.00 0.00 C ATOM 580 CG ASP A 40 76.217 -15.165 3.701 1.00 0.00 C ATOM 581 OD1 ASP A 40 75.966 -16.012 2.859 1.00 0.00 O ATOM 582 OD2 ASP A 40 77.262 -15.113 4.327 1.00 0.00 O ATOM 0 H ASP A 40 75.758 -12.092 2.606 1.00 0.00 H new ATOM 0 HA ASP A 40 74.421 -14.598 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.622 -13.223 4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.438 -14.484 4.714 1.00 0.00 H new ATOM 587 N SER A 41 72.912 -12.359 3.942 1.00 0.00 N ATOM 588 CA SER A 41 71.613 -11.836 4.358 1.00 0.00 C ATOM 589 C SER A 41 71.803 -10.872 5.518 1.00 0.00 C ATOM 590 O SER A 41 71.145 -9.835 5.604 1.00 0.00 O ATOM 591 CB SER A 41 70.680 -12.968 4.800 1.00 0.00 C ATOM 592 OG SER A 41 69.933 -13.426 3.681 1.00 0.00 O ATOM 0 H SER A 41 73.707 -11.944 4.427 1.00 0.00 H new ATOM 0 HA SER A 41 71.164 -11.323 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 71.260 -13.788 5.225 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.007 -12.615 5.581 1.00 0.00 H new ATOM 0 HG SER A 41 70.521 -13.926 3.078 1.00 0.00 H new ATOM 598 N LEU A 42 72.721 -11.230 6.410 1.00 0.00 N ATOM 599 CA LEU A 42 73.011 -10.398 7.576 1.00 0.00 C ATOM 600 C LEU A 42 73.481 -9.011 7.145 1.00 0.00 C ATOM 601 O LEU A 42 73.262 -8.022 7.845 1.00 0.00 O ATOM 602 CB LEU A 42 74.096 -11.046 8.438 1.00 0.00 C ATOM 603 CG LEU A 42 75.411 -11.348 7.712 1.00 0.00 C ATOM 604 CD1 LEU A 42 76.374 -10.170 7.883 1.00 0.00 C ATOM 605 CD2 LEU A 42 76.045 -12.609 8.304 1.00 0.00 C ATOM 0 H LEU A 42 73.275 -12.085 6.350 1.00 0.00 H new ATOM 0 HA LEU A 42 72.093 -10.303 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.308 -10.389 9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.704 -11.977 8.849 1.00 0.00 H new ATOM 0 HG LEU A 42 75.209 -11.503 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.309 -10.386 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.926 -9.270 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 76.573 -10.014 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.980 -12.823 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 76.244 -12.453 9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 42 75.363 -13.450 8.183 1.00 0.00 H new ATOM 617 N ALA A 43 74.130 -8.948 5.985 1.00 0.00 N ATOM 618 CA ALA A 43 74.625 -7.674 5.473 1.00 0.00 C ATOM 619 C ALA A 43 73.476 -6.833 4.936 1.00 0.00 C ATOM 620 O ALA A 43 73.427 -5.626 5.153 1.00 0.00 O ATOM 621 CB ALA A 43 75.644 -7.902 4.355 1.00 0.00 C ATOM 0 H ALA A 43 74.323 -9.753 5.389 1.00 0.00 H new ATOM 0 HA ALA A 43 75.106 -7.147 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 43 76.001 -6.940 3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 43 76.485 -8.478 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 43 75.173 -8.451 3.540 1.00 0.00 H new ATOM 627 N LEU A 44 72.552 -7.488 4.239 1.00 0.00 N ATOM 628 CA LEU A 44 71.392 -6.796 3.673 1.00 0.00 C ATOM 629 C LEU A 44 70.385 -6.481 4.771 1.00 0.00 C ATOM 630 O LEU A 44 69.714 -5.450 4.751 1.00 0.00 O ATOM 631 CB LEU A 44 70.717 -7.669 2.620 1.00 0.00 C ATOM 632 CG LEU A 44 71.595 -8.026 1.423 1.00 0.00 C ATOM 633 CD1 LEU A 44 70.791 -8.867 0.436 1.00 0.00 C ATOM 634 CD2 LEU A 44 72.059 -6.741 0.739 1.00 0.00 C ATOM 0 H LEU A 44 72.581 -8.490 4.052 1.00 0.00 H new ATOM 0 HA LEU A 44 71.736 -5.870 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 70.382 -8.591 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 44 69.827 -7.154 2.259 1.00 0.00 H new ATOM 0 HG LEU A 44 72.462 -8.595 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 44 71.417 -9.122 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 44 70.455 -9.781 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 69.925 -8.299 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 44 72.687 -6.990 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 71.191 -6.175 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 44 72.631 -6.139 1.445 1.00 0.00 H new ATOM 646 N LEU A 45 70.287 -7.391 5.728 1.00 0.00 N ATOM 647 CA LEU A 45 69.360 -7.217 6.842 1.00 0.00 C ATOM 648 C LEU A 45 69.734 -5.983 7.658 1.00 0.00 C ATOM 649 O LEU A 45 68.901 -5.115 7.917 1.00 0.00 O ATOM 650 CB LEU A 45 69.381 -8.450 7.750 1.00 0.00 C ATOM 651 CG LEU A 45 68.523 -8.349 9.016 1.00 0.00 C ATOM 652 CD1 LEU A 45 67.087 -7.979 8.636 1.00 0.00 C ATOM 653 CD2 LEU A 45 68.524 -9.699 9.738 1.00 0.00 C ATOM 0 H LEU A 45 70.832 -8.252 5.759 1.00 0.00 H new ATOM 0 HA LEU A 45 68.358 -7.087 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 69.046 -9.311 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 45 70.412 -8.646 8.045 1.00 0.00 H new ATOM 0 HG LEU A 45 68.934 -7.581 9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 45 66.479 -7.908 9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 67.083 -7.019 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.675 -8.746 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.914 -9.630 10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.113 -10.464 9.079 1.00 0.00 H new ATOM 0 HD23 LEU A 45 69.545 -9.965 10.010 1.00 0.00 H new ATOM 665 N ASN A 46 70.997 -5.920 8.062 1.00 0.00 N ATOM 666 CA ASN A 46 71.482 -4.793 8.852 1.00 0.00 C ATOM 667 C ASN A 46 71.384 -3.497 8.054 1.00 0.00 C ATOM 668 O ASN A 46 70.982 -2.457 8.576 1.00 0.00 O ATOM 669 CB ASN A 46 72.938 -5.013 9.265 1.00 0.00 C ATOM 670 CG ASN A 46 72.996 -6.021 10.407 1.00 0.00 C ATOM 671 OD1 ASN A 46 72.419 -5.797 11.472 1.00 0.00 O ATOM 672 ND2 ASN A 46 73.665 -7.129 10.248 1.00 0.00 N ATOM 0 H ASN A 46 71.700 -6.630 7.858 1.00 0.00 H new ATOM 0 HA ASN A 46 70.859 -4.719 9.743 1.00 0.00 H new ATOM 0 HB2 ASN A 46 73.517 -5.376 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 46 73.386 -4.069 9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.711 -7.810 11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 46 74.143 -7.314 9.366 1.00 0.00 H new ATOM 679 N THR A 47 71.760 -3.572 6.778 1.00 0.00 N ATOM 680 CA THR A 47 71.716 -2.399 5.900 1.00 0.00 C ATOM 681 C THR A 47 70.316 -1.795 5.861 1.00 0.00 C ATOM 682 O THR A 47 70.112 -0.643 6.243 1.00 0.00 O ATOM 683 CB THR A 47 72.121 -2.798 4.482 1.00 0.00 C ATOM 684 OG1 THR A 47 71.728 -4.127 4.259 1.00 0.00 O ATOM 685 CG2 THR A 47 73.639 -2.673 4.312 1.00 0.00 C ATOM 0 H THR A 47 72.096 -4.424 6.330 1.00 0.00 H new ATOM 0 HA THR A 47 72.410 -1.657 6.295 1.00 0.00 H new ATOM 0 HB THR A 47 71.635 -2.139 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 47 72.487 -4.725 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.916 -2.960 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 47 73.942 -1.642 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 47 74.140 -3.328 5.024 1.00 0.00 H new ATOM 693 N VAL A 48 69.356 -2.589 5.396 1.00 0.00 N ATOM 694 CA VAL A 48 67.967 -2.131 5.306 1.00 0.00 C ATOM 695 C VAL A 48 67.458 -1.708 6.682 1.00 0.00 C ATOM 696 O VAL A 48 66.767 -0.698 6.820 1.00 0.00 O ATOM 697 CB VAL A 48 67.066 -3.241 4.744 1.00 0.00 C ATOM 698 CG1 VAL A 48 65.634 -2.721 4.582 1.00 0.00 C ATOM 699 CG2 VAL A 48 67.595 -3.682 3.377 1.00 0.00 C ATOM 0 H VAL A 48 69.509 -3.546 5.077 1.00 0.00 H new ATOM 0 HA VAL A 48 67.935 -1.275 4.632 1.00 0.00 H new ATOM 0 HB VAL A 48 67.069 -4.085 5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 48 65.002 -3.514 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 48 65.250 -2.404 5.552 1.00 0.00 H new ATOM 0 HG13 VAL A 48 65.630 -1.874 3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 48 66.957 -4.470 2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 67.593 -2.832 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 48 68.612 -4.059 3.485 1.00 0.00 H new ATOM 709 N GLY A 49 67.816 -2.485 7.699 1.00 0.00 N ATOM 710 CA GLY A 49 67.398 -2.170 9.061 1.00 0.00 C ATOM 711 C GLY A 49 67.950 -0.812 9.486 1.00 0.00 C ATOM 712 O GLY A 49 67.329 -0.086 10.263 1.00 0.00 O ATOM 0 H GLY A 49 68.386 -3.326 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 66.310 -2.163 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 67.750 -2.943 9.744 1.00 0.00 H new ATOM 716 N ARG A 50 69.123 -0.475 8.955 1.00 0.00 N ATOM 717 CA ARG A 50 69.752 0.797 9.276 1.00 0.00 C ATOM 718 C ARG A 50 68.977 1.940 8.639 1.00 0.00 C ATOM 719 O ARG A 50 68.850 3.015 9.218 1.00 0.00 O ATOM 720 CB ARG A 50 71.197 0.826 8.772 1.00 0.00 C ATOM 721 CG ARG A 50 71.955 1.963 9.459 1.00 0.00 C ATOM 722 CD ARG A 50 73.411 1.547 9.679 1.00 0.00 C ATOM 723 NE ARG A 50 73.543 0.755 10.904 1.00 0.00 N ATOM 724 CZ ARG A 50 73.426 1.302 12.122 1.00 0.00 C ATOM 725 NH1 ARG A 50 73.183 2.582 12.273 1.00 0.00 N ATOM 726 NH2 ARG A 50 73.556 0.547 13.179 1.00 0.00 N ATOM 0 H ARG A 50 69.650 -1.060 8.307 1.00 0.00 H new ATOM 0 HA ARG A 50 69.750 0.913 10.360 1.00 0.00 H new ATOM 0 HB2 ARG A 50 71.684 -0.127 8.978 1.00 0.00 H new ATOM 0 HB3 ARG A 50 71.213 0.965 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 50 71.912 2.864 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 50 71.486 2.202 10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 50 73.762 0.967 8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 50 74.042 2.433 9.743 1.00 0.00 H new ATOM 0 HE ARG A 50 73.730 -0.245 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 50 73.079 3.181 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 50 73.098 2.978 13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 50 73.745 -0.450 13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 50 73.469 0.954 14.110 1.00 0.00 H new ATOM 740 N ILE A 51 68.450 1.695 7.443 1.00 0.00 N ATOM 741 CA ILE A 51 67.680 2.721 6.747 1.00 0.00 C ATOM 742 C ILE A 51 66.365 2.955 7.470 1.00 0.00 C ATOM 743 O ILE A 51 66.054 4.070 7.876 1.00 0.00 O ATOM 744 CB ILE A 51 67.379 2.316 5.299 1.00 0.00 C ATOM 745 CG1 ILE A 51 68.650 1.793 4.608 1.00 0.00 C ATOM 746 CG2 ILE A 51 66.854 3.534 4.536 1.00 0.00 C ATOM 747 CD1 ILE A 51 69.765 2.841 4.680 1.00 0.00 C ATOM 0 H ILE A 51 68.539 0.811 6.942 1.00 0.00 H new ATOM 0 HA ILE A 51 68.279 3.632 6.737 1.00 0.00 H new ATOM 0 HB ILE A 51 66.631 1.523 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 51 68.978 0.870 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 68.434 1.554 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 51 66.638 3.252 3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 51 65.943 3.896 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 51 67.607 4.322 4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 51 70.658 2.457 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 69.439 3.754 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 51 69.992 3.059 5.723 1.00 0.00 H new ATOM 759 N GLU A 52 65.594 1.887 7.634 1.00 0.00 N ATOM 760 CA GLU A 52 64.309 1.996 8.317 1.00 0.00 C ATOM 761 C GLU A 52 64.484 2.523 9.745 1.00 0.00 C ATOM 762 O GLU A 52 63.533 3.005 10.353 1.00 0.00 O ATOM 763 CB GLU A 52 63.602 0.640 8.363 1.00 0.00 C ATOM 764 CG GLU A 52 64.483 -0.383 9.084 1.00 0.00 C ATOM 765 CD GLU A 52 63.836 -1.761 9.001 1.00 0.00 C ATOM 766 OE1 GLU A 52 63.415 -2.132 7.918 1.00 0.00 O ATOM 767 OE2 GLU A 52 63.770 -2.426 10.022 1.00 0.00 O ATOM 0 H GLU A 52 65.830 0.949 7.310 1.00 0.00 H new ATOM 0 HA GLU A 52 63.700 2.702 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 52 62.646 0.736 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 52 63.387 0.298 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 65.474 -0.407 8.632 1.00 0.00 H new ATOM 0 HG3 GLU A 52 64.615 -0.094 10.127 1.00 0.00 H new ATOM 774 N ARG A 53 65.704 2.425 10.283 1.00 0.00 N ATOM 775 CA ARG A 53 65.955 2.902 11.639 1.00 0.00 C ATOM 776 C ARG A 53 66.500 4.328 11.622 1.00 0.00 C ATOM 777 O ARG A 53 66.064 5.184 12.392 1.00 0.00 O ATOM 778 CB ARG A 53 66.956 1.992 12.352 1.00 0.00 C ATOM 779 CG ARG A 53 66.926 2.276 13.855 1.00 0.00 C ATOM 780 CD ARG A 53 67.999 3.308 14.201 1.00 0.00 C ATOM 781 NE ARG A 53 68.468 3.127 15.577 1.00 0.00 N ATOM 782 CZ ARG A 53 69.470 3.853 16.090 1.00 0.00 C ATOM 783 NH1 ARG A 53 70.083 4.767 15.377 1.00 0.00 N ATOM 784 NH2 ARG A 53 69.844 3.646 17.324 1.00 0.00 N ATOM 0 H ARG A 53 66.515 2.028 9.809 1.00 0.00 H new ATOM 0 HA ARG A 53 65.006 2.888 12.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 66.711 0.947 12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 53 67.959 2.160 11.960 1.00 0.00 H new ATOM 0 HG2 ARG A 53 65.943 2.646 14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 53 67.098 1.356 14.413 1.00 0.00 H new ATOM 0 HD2 ARG A 53 68.837 3.214 13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 53 67.596 4.313 14.078 1.00 0.00 H new ATOM 0 HE ARG A 53 68.017 2.425 16.164 1.00 0.00 H new ATOM 0 HH11 ARG A 53 69.799 4.936 14.412 1.00 0.00 H new ATOM 0 HH12 ARG A 53 70.844 5.309 15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.374 2.937 17.887 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.606 4.193 17.725 1.00 0.00 H new ATOM 798 N ASP A 54 67.463 4.572 10.739 1.00 0.00 N ATOM 799 CA ASP A 54 68.070 5.894 10.630 1.00 0.00 C ATOM 800 C ASP A 54 67.122 6.871 9.947 1.00 0.00 C ATOM 801 O ASP A 54 67.052 8.046 10.307 1.00 0.00 O ATOM 802 CB ASP A 54 69.367 5.823 9.824 1.00 0.00 C ATOM 803 CG ASP A 54 70.483 5.263 10.699 1.00 0.00 C ATOM 804 OD1 ASP A 54 70.490 5.562 11.882 1.00 0.00 O ATOM 805 OD2 ASP A 54 71.315 4.543 10.172 1.00 0.00 O ATOM 0 H ASP A 54 67.838 3.877 10.093 1.00 0.00 H new ATOM 0 HA ASP A 54 68.283 6.243 11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 54 69.228 5.192 8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 54 69.637 6.815 9.463 1.00 0.00 H new ATOM 810 N TYR A 55 66.390 6.373 8.955 1.00 0.00 N ATOM 811 CA TYR A 55 65.446 7.207 8.226 1.00 0.00 C ATOM 812 C TYR A 55 64.061 7.120 8.867 1.00 0.00 C ATOM 813 O TYR A 55 63.244 8.030 8.727 1.00 0.00 O ATOM 814 CB TYR A 55 65.348 6.764 6.760 1.00 0.00 C ATOM 815 CG TYR A 55 66.655 7.026 6.041 1.00 0.00 C ATOM 816 CD1 TYR A 55 67.824 6.359 6.431 1.00 0.00 C ATOM 817 CD2 TYR A 55 66.692 7.932 4.971 1.00 0.00 C ATOM 818 CE1 TYR A 55 69.026 6.600 5.755 1.00 0.00 C ATOM 819 CE2 TYR A 55 67.895 8.171 4.294 1.00 0.00 C ATOM 820 CZ TYR A 55 69.062 7.505 4.688 1.00 0.00 C ATOM 821 OH TYR A 55 70.248 7.741 4.022 1.00 0.00 O ATOM 0 H TYR A 55 66.433 5.404 8.641 1.00 0.00 H new ATOM 0 HA TYR A 55 65.806 8.235 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 55 65.104 5.703 6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 55 64.539 7.301 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 55 67.798 5.659 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 55 65.792 8.446 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 55 69.927 6.087 6.057 1.00 0.00 H new ATOM 0 HE2 TYR A 55 67.922 8.868 3.469 1.00 0.00 H new ATOM 0 HH TYR A 55 70.098 8.395 3.308 1.00 0.00 H new ATOM 831 N GLY A 56 63.796 6.011 9.569 1.00 0.00 N ATOM 832 CA GLY A 56 62.497 5.831 10.213 1.00 0.00 C ATOM 833 C GLY A 56 61.394 5.802 9.168 1.00 0.00 C ATOM 834 O GLY A 56 60.332 6.399 9.346 1.00 0.00 O ATOM 0 H GLY A 56 64.452 5.241 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 56 62.491 4.903 10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 62.318 6.641 10.920 1.00 0.00 H new ATOM 838 N VAL A 57 61.668 5.123 8.057 1.00 0.00 N ATOM 839 CA VAL A 57 60.700 5.050 6.972 1.00 0.00 C ATOM 840 C VAL A 57 60.668 3.650 6.349 1.00 0.00 C ATOM 841 O VAL A 57 61.705 3.006 6.181 1.00 0.00 O ATOM 842 CB VAL A 57 61.075 6.089 5.908 1.00 0.00 C ATOM 843 CG1 VAL A 57 62.434 5.735 5.281 1.00 0.00 C ATOM 844 CG2 VAL A 57 59.995 6.132 4.826 1.00 0.00 C ATOM 0 H VAL A 57 62.541 4.623 7.887 1.00 0.00 H new ATOM 0 HA VAL A 57 59.706 5.258 7.369 1.00 0.00 H new ATOM 0 HB VAL A 57 61.150 7.070 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.691 6.479 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 57 63.200 5.724 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.375 4.751 4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.265 6.871 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 57 59.909 5.151 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 57 59.040 6.404 5.276 1.00 0.00 H new ATOM 854 N GLN A 58 59.464 3.189 6.001 1.00 0.00 N ATOM 855 CA GLN A 58 59.301 1.869 5.390 1.00 0.00 C ATOM 856 C GLN A 58 57.818 1.570 5.160 1.00 0.00 C ATOM 857 O GLN A 58 56.996 1.726 6.063 1.00 0.00 O ATOM 858 CB GLN A 58 59.901 0.781 6.293 1.00 0.00 C ATOM 859 CG GLN A 58 60.682 -0.230 5.446 1.00 0.00 C ATOM 860 CD GLN A 58 59.829 -1.470 5.206 1.00 0.00 C ATOM 861 OE1 GLN A 58 58.604 -1.384 5.127 1.00 0.00 O ATOM 862 NE2 GLN A 58 60.411 -2.632 5.084 1.00 0.00 N ATOM 0 H GLN A 58 58.594 3.706 6.131 1.00 0.00 H new ATOM 0 HA GLN A 58 59.824 1.871 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 58 60.560 1.234 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 59.107 0.273 6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 58 60.963 0.220 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 58 61.607 -0.506 5.953 1.00 0.00 H new ATOM 0 HE21 GLN A 58 61.426 -2.703 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 58 59.850 -3.469 4.923 1.00 0.00 H new ATOM 871 N LEU A 59 57.482 1.136 3.943 1.00 0.00 N ATOM 872 CA LEU A 59 56.086 0.819 3.623 1.00 0.00 C ATOM 873 C LEU A 59 55.936 -0.594 3.053 1.00 0.00 C ATOM 874 O LEU A 59 54.856 -0.970 2.599 1.00 0.00 O ATOM 875 CB LEU A 59 55.522 1.813 2.604 1.00 0.00 C ATOM 876 CG LEU A 59 56.470 2.194 1.464 1.00 0.00 C ATOM 877 CD1 LEU A 59 56.864 0.949 0.669 1.00 0.00 C ATOM 878 CD2 LEU A 59 55.773 3.190 0.534 1.00 0.00 C ATOM 0 H LEU A 59 58.141 0.998 3.177 1.00 0.00 H new ATOM 0 HA LEU A 59 55.532 0.885 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 54.615 1.390 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.231 2.722 3.131 1.00 0.00 H new ATOM 0 HG LEU A 59 57.368 2.647 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 59 57.538 1.232 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 59 57.365 0.240 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 59 55.970 0.486 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.447 3.462 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.873 2.734 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.502 4.084 1.096 1.00 0.00 H new ATOM 890 N GLY A 60 57.016 -1.376 3.072 1.00 0.00 N ATOM 891 CA GLY A 60 56.954 -2.732 2.545 1.00 0.00 C ATOM 892 C GLY A 60 57.839 -3.679 3.345 1.00 0.00 C ATOM 893 O GLY A 60 59.055 -3.720 3.164 1.00 0.00 O ATOM 0 H GLY A 60 57.926 -1.098 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 60 55.924 -3.087 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 60 57.267 -2.733 1.501 1.00 0.00 H new ATOM 897 N ASP A 61 57.209 -4.453 4.228 1.00 0.00 N ATOM 898 CA ASP A 61 57.945 -5.411 5.048 1.00 0.00 C ATOM 899 C ASP A 61 58.624 -6.446 4.159 1.00 0.00 C ATOM 900 O ASP A 61 59.781 -6.810 4.368 1.00 0.00 O ATOM 901 CB ASP A 61 57.001 -6.126 6.017 1.00 0.00 C ATOM 902 CG ASP A 61 56.240 -5.093 6.842 1.00 0.00 C ATOM 903 OD1 ASP A 61 55.536 -4.292 6.249 1.00 0.00 O ATOM 904 OD2 ASP A 61 56.373 -5.118 8.055 1.00 0.00 O ATOM 0 H ASP A 61 56.202 -4.436 4.392 1.00 0.00 H new ATOM 0 HA ASP A 61 58.697 -4.865 5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 61 56.301 -6.752 5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 61 57.568 -6.785 6.674 1.00 0.00 H new ATOM 909 N ASP A 62 57.887 -6.905 3.153 1.00 0.00 N ATOM 910 CA ASP A 62 58.419 -7.892 2.222 1.00 0.00 C ATOM 911 C ASP A 62 59.339 -7.244 1.182 1.00 0.00 C ATOM 912 O ASP A 62 59.908 -7.935 0.336 1.00 0.00 O ATOM 913 CB ASP A 62 57.279 -8.612 1.498 1.00 0.00 C ATOM 914 CG ASP A 62 56.371 -7.586 0.830 1.00 0.00 C ATOM 915 OD1 ASP A 62 56.846 -6.890 -0.052 1.00 0.00 O ATOM 916 OD2 ASP A 62 55.214 -7.512 1.209 1.00 0.00 O ATOM 0 H ASP A 62 56.929 -6.612 2.963 1.00 0.00 H new ATOM 0 HA ASP A 62 58.998 -8.608 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 62 57.683 -9.296 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 62 56.707 -9.213 2.205 1.00 0.00 H new ATOM 921 N ALA A 63 59.501 -5.917 1.255 1.00 0.00 N ATOM 922 CA ALA A 63 60.376 -5.211 0.320 1.00 0.00 C ATOM 923 C ALA A 63 61.783 -5.792 0.379 1.00 0.00 C ATOM 924 O ALA A 63 62.498 -5.839 -0.622 1.00 0.00 O ATOM 925 CB ALA A 63 60.440 -3.727 0.681 1.00 0.00 C ATOM 0 H ALA A 63 59.043 -5.320 1.943 1.00 0.00 H new ATOM 0 HA ALA A 63 59.972 -5.328 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 63 61.094 -3.210 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 63 59.440 -3.297 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 63 60.832 -3.615 1.692 1.00 0.00 H new ATOM 931 N VAL A 64 62.162 -6.246 1.568 1.00 0.00 N ATOM 932 CA VAL A 64 63.480 -6.842 1.761 1.00 0.00 C ATOM 933 C VAL A 64 63.551 -8.208 1.079 1.00 0.00 C ATOM 934 O VAL A 64 64.623 -8.662 0.681 1.00 0.00 O ATOM 935 CB VAL A 64 63.783 -7.011 3.253 1.00 0.00 C ATOM 936 CG1 VAL A 64 65.236 -7.454 3.435 1.00 0.00 C ATOM 937 CG2 VAL A 64 63.567 -5.676 3.972 1.00 0.00 C ATOM 0 H VAL A 64 61.582 -6.214 2.406 1.00 0.00 H new ATOM 0 HA VAL A 64 64.219 -6.174 1.318 1.00 0.00 H new ATOM 0 HB VAL A 64 63.118 -7.765 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 64 65.450 -7.574 4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.394 -8.404 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.902 -6.701 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.782 -5.796 5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.232 -4.923 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 62.532 -5.358 3.845 1.00 0.00 H new ATOM 947 N GLU A 65 62.394 -8.861 0.948 1.00 0.00 N ATOM 948 CA GLU A 65 62.338 -10.174 0.315 1.00 0.00 C ATOM 949 C GLU A 65 62.564 -10.053 -1.189 1.00 0.00 C ATOM 950 O GLU A 65 63.543 -10.570 -1.728 1.00 0.00 O ATOM 951 CB GLU A 65 60.980 -10.831 0.564 1.00 0.00 C ATOM 952 CG GLU A 65 61.087 -12.337 0.318 1.00 0.00 C ATOM 953 CD GLU A 65 60.040 -13.066 1.154 1.00 0.00 C ATOM 954 OE1 GLU A 65 60.287 -13.269 2.331 1.00 0.00 O ATOM 955 OE2 GLU A 65 59.006 -13.409 0.604 1.00 0.00 O ATOM 0 H GLU A 65 61.494 -8.504 1.269 1.00 0.00 H new ATOM 0 HA GLU A 65 63.124 -10.790 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.655 -10.641 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.228 -10.397 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 60.939 -12.555 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 65 62.085 -12.689 0.579 1.00 0.00 H new ATOM 962 N LYS A 66 61.643 -9.364 -1.861 1.00 0.00 N ATOM 963 CA LYS A 66 61.745 -9.175 -3.308 1.00 0.00 C ATOM 964 C LYS A 66 63.055 -8.479 -3.676 1.00 0.00 C ATOM 965 O LYS A 66 63.586 -8.666 -4.770 1.00 0.00 O ATOM 966 CB LYS A 66 60.574 -8.335 -3.820 1.00 0.00 C ATOM 967 CG LYS A 66 59.303 -9.187 -3.843 1.00 0.00 C ATOM 968 CD LYS A 66 58.366 -8.676 -4.938 1.00 0.00 C ATOM 969 CE LYS A 66 57.539 -9.839 -5.486 1.00 0.00 C ATOM 970 NZ LYS A 66 56.456 -10.179 -4.520 1.00 0.00 N ATOM 0 H LYS A 66 60.825 -8.931 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 66 61.721 -10.160 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 66 60.429 -7.465 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 66 60.791 -7.961 -4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 66 59.556 -10.232 -4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 66 58.805 -9.143 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 66 57.708 -7.905 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 66 58.943 -8.217 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 57.109 -9.570 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 66 58.178 -10.706 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 55.894 -10.970 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 56.877 -10.453 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 55.841 -9.352 -4.383 1.00 0.00 H new ATOM 984 N ALA A 67 63.568 -7.671 -2.748 1.00 0.00 N ATOM 985 CA ALA A 67 64.818 -6.945 -2.976 1.00 0.00 C ATOM 986 C ALA A 67 65.950 -7.898 -3.361 1.00 0.00 C ATOM 987 O ALA A 67 66.587 -8.509 -2.503 1.00 0.00 O ATOM 988 CB ALA A 67 65.227 -6.188 -1.714 1.00 0.00 C ATOM 0 H ALA A 67 63.141 -7.503 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 67 64.645 -6.246 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 67 66.158 -5.652 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 67 64.445 -5.477 -1.447 1.00 0.00 H new ATOM 0 HB3 ALA A 67 65.369 -6.894 -0.896 1.00 0.00 H new ATOM 994 N THR A 68 66.193 -8.011 -4.663 1.00 0.00 N ATOM 995 CA THR A 68 67.252 -8.873 -5.166 1.00 0.00 C ATOM 996 C THR A 68 68.484 -8.043 -5.475 1.00 0.00 C ATOM 997 O THR A 68 69.614 -8.470 -5.268 1.00 0.00 O ATOM 998 CB THR A 68 66.799 -9.563 -6.443 1.00 0.00 C ATOM 999 OG1 THR A 68 66.340 -8.589 -7.370 1.00 0.00 O ATOM 1000 CG2 THR A 68 65.672 -10.528 -6.113 1.00 0.00 C ATOM 0 H THR A 68 65.671 -7.517 -5.386 1.00 0.00 H new ATOM 0 HA THR A 68 67.485 -9.619 -4.406 1.00 0.00 H new ATOM 0 HB THR A 68 67.632 -10.111 -6.883 1.00 0.00 H new ATOM 0 HG1 THR A 68 66.049 -9.033 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 68 65.342 -11.027 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 68 66.027 -11.272 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 68 64.838 -9.978 -5.678 1.00 0.00 H new ATOM 1008 N THR A 69 68.240 -6.842 -5.973 1.00 0.00 N ATOM 1009 CA THR A 69 69.324 -5.928 -6.311 1.00 0.00 C ATOM 1010 C THR A 69 69.342 -4.775 -5.309 1.00 0.00 C ATOM 1011 O THR A 69 68.369 -4.571 -4.584 1.00 0.00 O ATOM 1012 CB THR A 69 69.134 -5.354 -7.729 1.00 0.00 C ATOM 1013 OG1 THR A 69 67.805 -5.599 -8.169 1.00 0.00 O ATOM 1014 CG2 THR A 69 70.116 -6.011 -8.696 1.00 0.00 C ATOM 0 H THR A 69 67.305 -6.476 -6.153 1.00 0.00 H new ATOM 0 HA THR A 69 70.264 -6.478 -6.276 1.00 0.00 H new ATOM 0 HB THR A 69 69.320 -4.280 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 69 67.686 -5.232 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 69 69.974 -5.599 -9.695 1.00 0.00 H new ATOM 0 HG22 THR A 69 71.137 -5.818 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 69 69.940 -7.086 -8.719 1.00 0.00 H new ATOM 1022 N PRO A 70 70.424 -3.988 -5.265 1.00 0.00 N ATOM 1023 CA PRO A 70 70.493 -2.850 -4.336 1.00 0.00 C ATOM 1024 C PRO A 70 69.506 -1.766 -4.734 1.00 0.00 C ATOM 1025 O PRO A 70 68.955 -1.065 -3.889 1.00 0.00 O ATOM 1026 CB PRO A 70 71.940 -2.389 -4.473 1.00 0.00 C ATOM 1027 CG PRO A 70 72.425 -2.890 -5.822 1.00 0.00 C ATOM 1028 CD PRO A 70 71.617 -4.153 -6.128 1.00 0.00 C ATOM 0 HA PRO A 70 70.230 -3.103 -3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 70 72.008 -1.303 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 70 72.553 -2.791 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 70 72.274 -2.135 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 70 73.492 -3.109 -5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 70 71.349 -4.218 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 70 72.172 -5.059 -5.884 1.00 0.00 H new ATOM 1036 N ARG A 71 69.263 -1.662 -6.040 1.00 0.00 N ATOM 1037 CA ARG A 71 68.312 -0.685 -6.546 1.00 0.00 C ATOM 1038 C ARG A 71 66.915 -0.999 -6.017 1.00 0.00 C ATOM 1039 O ARG A 71 66.103 -0.101 -5.802 1.00 0.00 O ATOM 1040 CB ARG A 71 68.282 -0.707 -8.075 1.00 0.00 C ATOM 1041 CG ARG A 71 69.634 -0.245 -8.617 1.00 0.00 C ATOM 1042 CD ARG A 71 69.596 1.262 -8.865 1.00 0.00 C ATOM 1043 NE ARG A 71 70.486 1.624 -9.970 1.00 0.00 N ATOM 1044 CZ ARG A 71 70.577 2.879 -10.432 1.00 0.00 C ATOM 1045 NH1 ARG A 71 69.865 3.849 -9.910 1.00 0.00 N ATOM 1046 NH2 ARG A 71 71.387 3.140 -11.421 1.00 0.00 N ATOM 0 H ARG A 71 69.708 -2.237 -6.756 1.00 0.00 H new ATOM 0 HA ARG A 71 68.623 0.303 -6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 71 68.060 -1.713 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 71 67.489 -0.056 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 71 70.424 -0.488 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 71 69.865 -0.771 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 71 68.577 1.573 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 71 69.895 1.793 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 71 71.056 0.897 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 71 69.227 3.655 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 71 69.949 4.797 -10.276 1.00 0.00 H new ATOM 0 HH21 ARG A 71 71.944 2.392 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 71 71.464 4.092 -11.780 1.00 0.00 H new ATOM 1060 N ALA A 72 66.645 -2.289 -5.800 1.00 0.00 N ATOM 1061 CA ALA A 72 65.340 -2.707 -5.286 1.00 0.00 C ATOM 1062 C ALA A 72 65.089 -2.070 -3.926 1.00 0.00 C ATOM 1063 O ALA A 72 64.071 -1.413 -3.706 1.00 0.00 O ATOM 1064 CB ALA A 72 65.281 -4.229 -5.144 1.00 0.00 C ATOM 0 H ALA A 72 67.302 -3.051 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 72 64.575 -2.384 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 72 64.303 -4.521 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 72 65.442 -4.692 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 72 66.056 -4.560 -4.452 1.00 0.00 H new ATOM 1070 N LEU A 73 66.042 -2.264 -3.024 1.00 0.00 N ATOM 1071 CA LEU A 73 65.942 -1.697 -1.678 1.00 0.00 C ATOM 1072 C LEU A 73 65.845 -0.182 -1.756 1.00 0.00 C ATOM 1073 O LEU A 73 65.081 0.448 -1.028 1.00 0.00 O ATOM 1074 CB LEU A 73 67.166 -2.068 -0.843 1.00 0.00 C ATOM 1075 CG LEU A 73 67.492 -3.559 -0.802 1.00 0.00 C ATOM 1076 CD1 LEU A 73 68.927 -3.755 -0.310 1.00 0.00 C ATOM 1077 CD2 LEU A 73 66.526 -4.260 0.154 1.00 0.00 C ATOM 0 H LEU A 73 66.889 -2.805 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 73 65.047 -2.104 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 73 68.031 -1.533 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 73 67.011 -1.717 0.177 1.00 0.00 H new ATOM 0 HG LEU A 73 67.391 -3.983 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 73 69.159 -4.820 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 73 69.616 -3.252 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 73 69.029 -3.334 0.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.755 -5.325 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.630 -3.836 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.503 -4.119 -0.195 1.00 0.00 H new ATOM 1089 N ILE A 74 66.622 0.401 -2.660 1.00 0.00 N ATOM 1090 CA ILE A 74 66.594 1.848 -2.832 1.00 0.00 C ATOM 1091 C ILE A 74 65.221 2.259 -3.361 1.00 0.00 C ATOM 1092 O ILE A 74 64.657 3.267 -2.947 1.00 0.00 O ATOM 1093 CB ILE A 74 67.694 2.304 -3.806 1.00 0.00 C ATOM 1094 CG1 ILE A 74 69.063 1.957 -3.218 1.00 0.00 C ATOM 1095 CG2 ILE A 74 67.619 3.822 -4.020 1.00 0.00 C ATOM 1096 CD1 ILE A 74 70.150 2.205 -4.268 1.00 0.00 C ATOM 0 H ILE A 74 67.268 -0.094 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 74 66.778 2.326 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 74 67.552 1.798 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 74 69.254 2.563 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 74 69.080 0.914 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 74 68.403 4.131 -4.711 1.00 0.00 H new ATOM 0 HG22 ILE A 74 66.646 4.083 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 74 67.755 4.331 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 74 71.125 1.957 -3.848 1.00 0.00 H new ATOM 0 HD12 ILE A 74 69.962 1.580 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 74 70.138 3.254 -4.563 1.00 0.00 H new ATOM 1108 N GLU A 75 64.690 1.460 -4.283 1.00 0.00 N ATOM 1109 CA GLU A 75 63.387 1.746 -4.865 1.00 0.00 C ATOM 1110 C GLU A 75 62.279 1.628 -3.824 1.00 0.00 C ATOM 1111 O GLU A 75 61.487 2.553 -3.638 1.00 0.00 O ATOM 1112 CB GLU A 75 63.107 0.783 -6.022 1.00 0.00 C ATOM 1113 CG GLU A 75 63.464 1.453 -7.353 1.00 0.00 C ATOM 1114 CD GLU A 75 64.953 1.789 -7.391 1.00 0.00 C ATOM 1115 OE1 GLU A 75 65.380 2.586 -6.573 1.00 0.00 O ATOM 1116 OE2 GLU A 75 65.641 1.245 -8.238 1.00 0.00 O ATOM 0 H GLU A 75 65.140 0.617 -4.639 1.00 0.00 H new ATOM 0 HA GLU A 75 63.403 2.771 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 75 63.689 -0.130 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 75 62.056 0.494 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 75 63.212 0.791 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 75 62.875 2.361 -7.481 1.00 0.00 H new ATOM 1123 N MET A 76 62.218 0.484 -3.146 1.00 0.00 N ATOM 1124 CA MET A 76 61.188 0.277 -2.135 1.00 0.00 C ATOM 1125 C MET A 76 61.340 1.295 -1.008 1.00 0.00 C ATOM 1126 O MET A 76 60.351 1.795 -0.468 1.00 0.00 O ATOM 1127 CB MET A 76 61.256 -1.143 -1.566 1.00 0.00 C ATOM 1128 CG MET A 76 62.652 -1.427 -1.010 1.00 0.00 C ATOM 1129 SD MET A 76 62.696 -1.044 0.760 1.00 0.00 S ATOM 1130 CE MET A 76 64.176 -2.006 1.162 1.00 0.00 C ATOM 0 H MET A 76 62.858 -0.300 -3.276 1.00 0.00 H new ATOM 0 HA MET A 76 60.217 0.412 -2.611 1.00 0.00 H new ATOM 0 HB2 MET A 76 60.512 -1.262 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 76 61.014 -1.866 -2.345 1.00 0.00 H new ATOM 0 HG2 MET A 76 62.912 -2.473 -1.172 1.00 0.00 H new ATOM 0 HG3 MET A 76 63.393 -0.829 -1.540 1.00 0.00 H new ATOM 0 HE1 MET A 76 64.136 -2.316 2.206 1.00 0.00 H new ATOM 0 HE2 MET A 76 64.222 -2.888 0.523 1.00 0.00 H new ATOM 0 HE3 MET A 76 65.063 -1.394 0.999 1.00 0.00 H new ATOM 1140 N THR A 77 62.586 1.617 -0.672 1.00 0.00 N ATOM 1141 CA THR A 77 62.838 2.597 0.378 1.00 0.00 C ATOM 1142 C THR A 77 62.460 3.986 -0.126 1.00 0.00 C ATOM 1143 O THR A 77 61.730 4.721 0.538 1.00 0.00 O ATOM 1144 CB THR A 77 64.313 2.580 0.802 1.00 0.00 C ATOM 1145 OG1 THR A 77 64.657 1.278 1.252 1.00 0.00 O ATOM 1146 CG2 THR A 77 64.542 3.580 1.939 1.00 0.00 C ATOM 0 H THR A 77 63.422 1.222 -1.102 1.00 0.00 H new ATOM 0 HA THR A 77 62.232 2.342 1.247 1.00 0.00 H new ATOM 0 HB THR A 77 64.933 2.856 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 77 64.348 0.614 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 65.591 3.562 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 77 64.278 4.582 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 77 63.920 3.309 2.792 1.00 0.00 H new ATOM 1154 N ASN A 78 62.945 4.336 -1.321 1.00 0.00 N ATOM 1155 CA ASN A 78 62.632 5.640 -1.908 1.00 0.00 C ATOM 1156 C ASN A 78 61.122 5.802 -2.027 1.00 0.00 C ATOM 1157 O ASN A 78 60.582 6.892 -1.847 1.00 0.00 O ATOM 1158 CB ASN A 78 63.253 5.781 -3.298 1.00 0.00 C ATOM 1159 CG ASN A 78 64.665 6.343 -3.171 1.00 0.00 C ATOM 1160 OD1 ASN A 78 64.936 7.461 -3.600 1.00 0.00 O ATOM 1161 ND2 ASN A 78 65.589 5.632 -2.597 1.00 0.00 N ATOM 0 H ASN A 78 63.547 3.744 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 78 63.045 6.410 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 78 63.280 4.812 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 78 62.642 6.440 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 78 66.534 6.003 -2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 78 65.369 4.703 -2.239 1.00 0.00 H new ATOM 1168 N ALA A 79 60.452 4.687 -2.306 1.00 0.00 N ATOM 1169 CA ALA A 79 59.000 4.684 -2.423 1.00 0.00 C ATOM 1170 C ALA A 79 58.388 5.053 -1.079 1.00 0.00 C ATOM 1171 O ALA A 79 57.370 5.741 -1.005 1.00 0.00 O ATOM 1172 CB ALA A 79 58.502 3.299 -2.834 1.00 0.00 C ATOM 0 H ALA A 79 60.891 3.778 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 79 58.706 5.408 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 79 57.415 3.313 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 79 58.936 3.027 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 79 58.799 2.568 -2.082 1.00 0.00 H new ATOM 1178 N SER A 80 59.043 4.595 -0.017 1.00 0.00 N ATOM 1179 CA SER A 80 58.589 4.882 1.334 1.00 0.00 C ATOM 1180 C SER A 80 58.836 6.348 1.649 1.00 0.00 C ATOM 1181 O SER A 80 57.962 7.047 2.161 1.00 0.00 O ATOM 1182 CB SER A 80 59.330 4.005 2.346 1.00 0.00 C ATOM 1183 OG SER A 80 58.675 4.084 3.605 1.00 0.00 O ATOM 0 H SER A 80 59.887 4.025 -0.068 1.00 0.00 H new ATOM 0 HA SER A 80 57.523 4.666 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 80 59.354 2.972 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 80 60.365 4.334 2.440 1.00 0.00 H new ATOM 0 HG SER A 80 57.757 4.402 3.477 1.00 0.00 H new ATOM 1189 N LEU A 81 60.038 6.804 1.324 1.00 0.00 N ATOM 1190 CA LEU A 81 60.401 8.193 1.557 1.00 0.00 C ATOM 1191 C LEU A 81 59.520 9.117 0.724 1.00 0.00 C ATOM 1192 O LEU A 81 58.917 10.056 1.244 1.00 0.00 O ATOM 1193 CB LEU A 81 61.870 8.437 1.190 1.00 0.00 C ATOM 1194 CG LEU A 81 62.909 7.971 2.224 1.00 0.00 C ATOM 1195 CD1 LEU A 81 62.485 8.403 3.625 1.00 0.00 C ATOM 1196 CD2 LEU A 81 63.031 6.449 2.182 1.00 0.00 C ATOM 0 H LEU A 81 60.773 6.236 0.901 1.00 0.00 H new ATOM 0 HA LEU A 81 60.255 8.405 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 81 62.076 7.934 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 62.009 9.505 1.020 1.00 0.00 H new ATOM 0 HG LEU A 81 63.871 8.423 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 81 63.227 8.068 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 62.406 9.489 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 81 61.518 7.960 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 63.768 6.123 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 81 62.065 6.000 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 81 63.347 6.137 1.187 1.00 0.00 H new ATOM 1208 N THR A 82 59.452 8.846 -0.577 1.00 0.00 N ATOM 1209 CA THR A 82 58.635 9.672 -1.465 1.00 0.00 C ATOM 1210 C THR A 82 57.149 9.496 -1.147 1.00 0.00 C ATOM 1211 O THR A 82 56.351 10.415 -1.320 1.00 0.00 O ATOM 1212 CB THR A 82 58.893 9.318 -2.938 1.00 0.00 C ATOM 1213 OG1 THR A 82 58.166 10.211 -3.770 1.00 0.00 O ATOM 1214 CG2 THR A 82 58.454 7.879 -3.231 1.00 0.00 C ATOM 0 H THR A 82 59.942 8.077 -1.034 1.00 0.00 H new ATOM 0 HA THR A 82 58.915 10.713 -1.301 1.00 0.00 H new ATOM 0 HB THR A 82 59.961 9.406 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 82 58.330 9.989 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 82 58.644 7.647 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 82 59.016 7.191 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 82 57.389 7.774 -3.024 1.00 0.00 H new ATOM 1222 N GLY A 83 56.791 8.302 -0.681 1.00 0.00 N ATOM 1223 CA GLY A 83 55.398 8.011 -0.344 1.00 0.00 C ATOM 1224 C GLY A 83 54.989 8.632 0.997 1.00 0.00 C ATOM 1225 O GLY A 83 53.836 8.512 1.413 1.00 0.00 O ATOM 0 H GLY A 83 57.437 7.527 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 83 54.748 8.390 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.253 6.931 -0.303 1.00 0.00 H new