USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 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 8 LYS NZ :NH3+ 171:sc= 1.26 (180deg=0) USER MOD Set 1.2: A 10 GLN : amide:sc= 2.12 K(o=3.4,f=-5) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 12 MET CE :methyl -149:sc= -0.0667 (180deg=-0.421) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 179:sc= -0.01 (180deg=-0.0102) USER MOD Single : A 22 CYS SG : rot 92:sc= 0.117 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 82:sc= 0.452 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 123:sc= 1.53 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.668 -5.707 -13.814 1.00 0.00 N ATOM 14 CA LEU A 7 -5.762 -5.693 -12.669 1.00 0.00 C ATOM 15 C LEU A 7 -4.288 -5.724 -13.099 1.00 0.00 C ATOM 16 O LEU A 7 -3.920 -6.321 -14.118 1.00 0.00 O ATOM 17 CB LEU A 7 -6.189 -6.766 -11.648 1.00 0.00 C ATOM 18 CG LEU A 7 -6.032 -8.237 -12.102 1.00 0.00 C ATOM 19 CD1 LEU A 7 -4.669 -8.809 -11.697 1.00 0.00 C ATOM 20 CD2 LEU A 7 -7.126 -9.101 -11.461 1.00 0.00 C ATOM 0 HA LEU A 7 -5.844 -4.742 -12.143 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.607 -6.624 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.234 -6.596 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.115 -8.253 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.594 -9.843 -12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.876 -8.220 -12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.566 -8.771 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.009 -10.135 -11.785 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.041 -9.049 -10.376 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.106 -8.733 -11.766 1.00 0.00 H new ATOM 31 N LYS A 8 -3.448 -5.049 -12.316 1.00 0.00 N ATOM 32 CA LYS A 8 -2.050 -4.740 -12.640 1.00 0.00 C ATOM 33 C LYS A 8 -1.204 -4.452 -11.390 1.00 0.00 C ATOM 34 O LYS A 8 -1.738 -3.976 -10.384 1.00 0.00 O ATOM 35 CB LYS A 8 -1.990 -3.544 -13.614 1.00 0.00 C ATOM 36 CG LYS A 8 -2.785 -2.315 -13.132 1.00 0.00 C ATOM 37 CD LYS A 8 -2.225 -0.982 -13.638 1.00 0.00 C ATOM 38 CE LYS A 8 -0.899 -0.667 -12.934 1.00 0.00 C ATOM 39 NZ LYS A 8 -0.535 0.761 -13.060 1.00 0.00 N ATOM 0 H LYS A 8 -3.729 -4.688 -11.405 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.623 -5.624 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.949 -3.258 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.374 -3.857 -14.585 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.820 -2.412 -13.459 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.795 -2.304 -12.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.071 -1.029 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.943 -0.183 -13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.976 -0.931 -11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.107 -1.283 -13.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.281 0.967 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.288 0.970 -14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.341 1.351 -12.772 1.00 0.00 H new ATOM 49 N THR A 9 0.104 -4.722 -11.459 1.00 0.00 N ATOM 50 CA THR A 9 1.057 -4.465 -10.370 1.00 0.00 C ATOM 51 C THR A 9 1.416 -2.978 -10.300 1.00 0.00 C ATOM 52 O THR A 9 1.450 -2.288 -11.317 1.00 0.00 O ATOM 53 CB THR A 9 2.319 -5.322 -10.547 1.00 0.00 C ATOM 54 OG1 THR A 9 1.972 -6.654 -10.839 1.00 0.00 O ATOM 55 CG2 THR A 9 3.166 -5.360 -9.274 1.00 0.00 C ATOM 0 H THR A 9 0.539 -5.132 -12.286 1.00 0.00 H new ATOM 0 HA THR A 9 0.583 -4.742 -9.428 1.00 0.00 H new ATOM 0 HB THR A 9 2.885 -4.868 -11.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.787 -7.187 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.049 -5.977 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.475 -4.348 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.579 -5.782 -8.459 1.00 0.00 H new ATOM 63 N GLN A 10 1.729 -2.493 -9.100 1.00 0.00 N ATOM 64 CA GLN A 10 2.280 -1.167 -8.836 1.00 0.00 C ATOM 65 C GLN A 10 3.201 -1.256 -7.610 1.00 0.00 C ATOM 66 O GLN A 10 2.896 -2.007 -6.679 1.00 0.00 O ATOM 67 CB GLN A 10 1.136 -0.165 -8.580 1.00 0.00 C ATOM 68 CG GLN A 10 1.542 1.303 -8.823 1.00 0.00 C ATOM 69 CD GLN A 10 1.688 1.654 -10.309 1.00 0.00 C ATOM 70 OE1 GLN A 10 1.495 0.841 -11.197 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.025 2.869 -10.667 1.00 0.00 N ATOM 0 H GLN A 10 1.599 -3.039 -8.248 1.00 0.00 H new ATOM 0 HA GLN A 10 2.851 -0.819 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.294 -0.413 -9.226 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.791 -0.273 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.796 1.958 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.486 1.500 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.196 3.581 -9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.116 3.103 -11.656 1.00 0.00 H new ATOM 78 N GLN A 11 4.295 -0.485 -7.598 1.00 0.00 N ATOM 79 CA GLN A 11 5.227 -0.363 -6.472 1.00 0.00 C ATOM 80 C GLN A 11 5.414 1.110 -6.059 1.00 0.00 C ATOM 81 O GLN A 11 5.420 2.010 -6.906 1.00 0.00 O ATOM 82 CB GLN A 11 6.566 -1.029 -6.851 1.00 0.00 C ATOM 83 CG GLN A 11 7.580 -1.118 -5.692 1.00 0.00 C ATOM 84 CD GLN A 11 8.910 -1.777 -6.068 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.429 -1.648 -7.176 1.00 0.00 O ATOM 86 NE2 GLN A 11 9.535 -2.479 -5.150 1.00 0.00 N ATOM 0 H GLN A 11 4.564 0.089 -8.397 1.00 0.00 H new ATOM 0 HA GLN A 11 4.815 -0.877 -5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.366 -2.034 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.017 -0.470 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.778 -0.113 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.129 -1.678 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.119 -2.596 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.436 -2.907 -5.361 1.00 0.00 H new ATOM 93 N MET A 12 5.606 1.357 -4.757 1.00 0.00 N ATOM 94 CA MET A 12 5.724 2.688 -4.152 1.00 0.00 C ATOM 95 C MET A 12 6.681 2.698 -2.955 1.00 0.00 C ATOM 96 O MET A 12 6.968 1.656 -2.359 1.00 0.00 O ATOM 97 CB MET A 12 4.332 3.195 -3.716 1.00 0.00 C ATOM 98 CG MET A 12 3.585 2.275 -2.729 1.00 0.00 C ATOM 99 SD MET A 12 2.603 0.928 -3.457 1.00 0.00 S ATOM 100 CE MET A 12 1.349 1.863 -4.373 1.00 0.00 C ATOM 0 H MET A 12 5.686 0.606 -4.071 1.00 0.00 H new ATOM 0 HA MET A 12 6.139 3.354 -4.909 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.446 4.178 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.715 3.327 -4.605 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.317 1.835 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.921 2.892 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.420 1.294 -4.402 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.174 2.819 -3.879 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.698 2.039 -5.390 1.00 0.00 H new ATOM 108 N GLN A 13 7.108 3.896 -2.556 1.00 0.00 N ATOM 109 CA GLN A 13 7.647 4.142 -1.223 1.00 0.00 C ATOM 110 C GLN A 13 6.491 4.350 -0.237 1.00 0.00 C ATOM 111 O GLN A 13 5.487 4.979 -0.576 1.00 0.00 O ATOM 112 CB GLN A 13 8.517 5.408 -1.217 1.00 0.00 C ATOM 113 CG GLN A 13 9.895 5.247 -1.867 1.00 0.00 C ATOM 114 CD GLN A 13 10.687 6.551 -1.761 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.539 6.725 -0.897 1.00 0.00 O ATOM 116 NE2 GLN A 13 10.383 7.539 -2.571 1.00 0.00 N ATOM 0 H GLN A 13 7.089 4.724 -3.151 1.00 0.00 H new ATOM 0 HA GLN A 13 8.252 3.283 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.979 6.203 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.654 5.732 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.443 4.440 -1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.780 4.967 -2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.676 7.407 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.854 8.439 -2.477 1.00 0.00 H new ATOM 123 N VAL A 14 6.655 3.869 0.996 1.00 0.00 N ATOM 124 CA VAL A 14 5.654 3.955 2.067 1.00 0.00 C ATOM 125 C VAL A 14 6.389 4.274 3.377 1.00 0.00 C ATOM 126 O VAL A 14 7.111 3.442 3.928 1.00 0.00 O ATOM 127 CB VAL A 14 4.805 2.661 2.111 1.00 0.00 C ATOM 128 CG1 VAL A 14 3.970 2.537 3.395 1.00 0.00 C ATOM 129 CG2 VAL A 14 3.866 2.601 0.899 1.00 0.00 C ATOM 0 H VAL A 14 7.510 3.396 1.288 1.00 0.00 H new ATOM 0 HA VAL A 14 4.938 4.758 1.889 1.00 0.00 H new ATOM 0 HB VAL A 14 5.510 1.830 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.397 1.610 3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.633 2.529 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.288 3.384 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.275 1.686 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.201 3.464 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.455 2.610 -0.018 1.00 0.00 H new ATOM 139 N GLY A 15 6.246 5.526 3.822 1.00 0.00 N ATOM 140 CA GLY A 15 7.076 6.164 4.846 1.00 0.00 C ATOM 141 C GLY A 15 6.617 5.845 6.265 1.00 0.00 C ATOM 142 O GLY A 15 5.447 6.026 6.609 1.00 0.00 O ATOM 0 H GLY A 15 5.520 6.147 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.109 5.840 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.060 7.244 4.698 1.00 0.00 H new ATOM 146 N GLY A 16 7.564 5.387 7.090 1.00 0.00 N ATOM 147 CA GLY A 16 7.360 5.015 8.495 1.00 0.00 C ATOM 148 C GLY A 16 7.054 3.533 8.708 1.00 0.00 C ATOM 149 O GLY A 16 6.974 3.087 9.851 1.00 0.00 O ATOM 0 H GLY A 16 8.530 5.260 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.253 5.276 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.540 5.607 8.901 1.00 0.00 H new ATOM 153 N MET A 17 6.902 2.752 7.632 1.00 0.00 N ATOM 154 CA MET A 17 6.618 1.315 7.701 1.00 0.00 C ATOM 155 C MET A 17 7.832 0.527 8.199 1.00 0.00 C ATOM 156 O MET A 17 8.868 0.502 7.532 1.00 0.00 O ATOM 157 CB MET A 17 6.129 0.823 6.331 1.00 0.00 C ATOM 158 CG MET A 17 5.898 -0.694 6.278 1.00 0.00 C ATOM 159 SD MET A 17 4.948 -1.251 4.841 1.00 0.00 S ATOM 160 CE MET A 17 6.135 -0.895 3.523 1.00 0.00 C ATOM 0 H MET A 17 6.974 3.105 6.678 1.00 0.00 H new ATOM 0 HA MET A 17 5.825 1.143 8.429 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.200 1.334 6.080 1.00 0.00 H new ATOM 0 HB3 MET A 17 6.860 1.099 5.571 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.865 -1.197 6.278 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.378 -1.003 7.185 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.715 -1.196 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.350 0.174 3.506 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.057 -1.447 3.705 1.00 0.00 H new ATOM 219 N CYS A 22 3.291 -2.188 11.716 1.00 0.00 N ATOM 220 CA CYS A 22 2.870 -1.618 10.426 1.00 0.00 C ATOM 221 C CYS A 22 2.738 -2.680 9.323 1.00 0.00 C ATOM 222 O CYS A 22 1.681 -2.796 8.697 1.00 0.00 O ATOM 223 CB CYS A 22 3.869 -0.520 10.044 1.00 0.00 C ATOM 224 SG CYS A 22 3.282 0.324 8.550 1.00 0.00 S ATOM 0 HA CYS A 22 1.872 -1.194 10.532 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.975 0.193 10.862 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.854 -0.952 9.869 1.00 0.00 H new ATOM 0 HG CYS A 22 2.552 1.346 8.887 1.00 0.00 H new ATOM 229 N ALA A 23 3.770 -3.515 9.171 1.00 0.00 N ATOM 230 CA ALA A 23 3.802 -4.690 8.306 1.00 0.00 C ATOM 231 C ALA A 23 2.619 -5.670 8.481 1.00 0.00 C ATOM 232 O ALA A 23 2.361 -6.463 7.579 1.00 0.00 O ATOM 233 CB ALA A 23 5.131 -5.398 8.597 1.00 0.00 C ATOM 0 H ALA A 23 4.647 -3.380 9.674 1.00 0.00 H new ATOM 0 HA ALA A 23 3.710 -4.355 7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.212 -6.290 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.958 -4.724 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.169 -5.684 9.648 1.00 0.00 H new ATOM 239 N SER A 24 1.895 -5.629 9.601 1.00 0.00 N ATOM 240 CA SER A 24 0.669 -6.414 9.820 1.00 0.00 C ATOM 241 C SER A 24 -0.593 -5.560 9.619 1.00 0.00 C ATOM 242 O SER A 24 -1.490 -5.945 8.877 1.00 0.00 O ATOM 243 CB SER A 24 0.668 -7.004 11.238 1.00 0.00 C ATOM 244 OG SER A 24 1.790 -7.846 11.455 1.00 0.00 O ATOM 0 H SER A 24 2.144 -5.041 10.397 1.00 0.00 H new ATOM 0 HA SER A 24 0.656 -7.219 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.673 -6.195 11.969 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.249 -7.571 11.396 1.00 0.00 H new ATOM 0 HG SER A 24 1.759 -8.203 12.367 1.00 0.00 H new ATOM 249 N SER A 25 -0.673 -4.375 10.228 1.00 0.00 N ATOM 250 CA SER A 25 -1.877 -3.526 10.217 1.00 0.00 C ATOM 251 C SER A 25 -2.193 -2.939 8.830 1.00 0.00 C ATOM 252 O SER A 25 -3.359 -2.660 8.524 1.00 0.00 O ATOM 253 CB SER A 25 -1.753 -2.385 11.240 1.00 0.00 C ATOM 254 OG SER A 25 -1.339 -2.847 12.518 1.00 0.00 O ATOM 0 H SER A 25 0.103 -3.969 10.750 1.00 0.00 H new ATOM 0 HA SER A 25 -2.705 -4.180 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.038 -1.648 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.713 -1.878 11.333 1.00 0.00 H new ATOM 0 HG SER A 25 -1.272 -2.088 13.134 1.00 0.00 H new ATOM 259 N ILE A 26 -1.179 -2.789 7.967 1.00 0.00 N ATOM 260 CA ILE A 26 -1.362 -2.574 6.523 1.00 0.00 C ATOM 261 C ILE A 26 -1.741 -3.898 5.847 1.00 0.00 C ATOM 262 O ILE A 26 -2.810 -3.984 5.245 1.00 0.00 O ATOM 263 CB ILE A 26 -0.110 -1.890 5.902 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.113 -0.351 6.067 1.00 0.00 C ATOM 265 CG2 ILE A 26 0.037 -2.151 4.391 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.236 0.176 7.498 1.00 0.00 C ATOM 0 H ILE A 26 -0.200 -2.813 8.253 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.188 -1.884 6.351 1.00 0.00 H new ATOM 0 HB ILE A 26 0.716 -2.338 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.808 0.041 5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.938 0.055 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.929 -1.647 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.126 -3.223 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.840 -1.768 3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.227 1.266 7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.171 -0.174 7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.602 -0.188 8.093 1.00 0.00 H new ATOM 277 N GLU A 27 -0.887 -4.923 5.941 1.00 0.00 N ATOM 278 CA GLU A 27 -0.940 -6.084 5.043 1.00 0.00 C ATOM 279 C GLU A 27 -2.166 -6.977 5.293 1.00 0.00 C ATOM 280 O GLU A 27 -2.751 -7.486 4.332 1.00 0.00 O ATOM 281 CB GLU A 27 0.376 -6.879 5.143 1.00 0.00 C ATOM 282 CG GLU A 27 0.609 -7.792 3.929 1.00 0.00 C ATOM 283 CD GLU A 27 1.958 -8.512 4.001 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.099 -9.454 4.816 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.884 -8.167 3.230 1.00 0.00 O ATOM 0 H GLU A 27 -0.143 -4.972 6.637 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.052 -5.712 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.210 -6.183 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.363 -7.483 6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.192 -8.529 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.563 -7.199 3.016 1.00 0.00 H new ATOM 290 N ARG A 28 -2.613 -7.119 6.550 1.00 0.00 N ATOM 291 CA ARG A 28 -3.796 -7.928 6.873 1.00 0.00 C ATOM 292 C ARG A 28 -5.083 -7.335 6.273 1.00 0.00 C ATOM 293 O ARG A 28 -5.950 -8.081 5.811 1.00 0.00 O ATOM 294 CB ARG A 28 -3.909 -8.104 8.397 1.00 0.00 C ATOM 295 CG ARG A 28 -4.974 -9.151 8.752 1.00 0.00 C ATOM 296 CD ARG A 28 -5.113 -9.353 10.260 1.00 0.00 C ATOM 297 NE ARG A 28 -6.119 -10.389 10.537 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.826 -10.564 11.643 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.818 -9.723 12.654 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.593 -11.622 11.730 1.00 0.00 N ATOM 0 H ARG A 28 -2.172 -6.683 7.360 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.671 -8.910 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.945 -8.408 8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.163 -7.150 8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.935 -8.842 8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.716 -10.101 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.153 -9.643 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.403 -8.416 10.736 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.294 -11.055 9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.245 -8.880 12.612 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.385 -9.913 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.635 -12.286 10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.148 -11.782 12.571 1.00 0.00 H new ATOM 311 N ALA A 29 -5.208 -6.003 6.236 1.00 0.00 N ATOM 312 CA ALA A 29 -6.348 -5.314 5.623 1.00 0.00 C ATOM 313 C ALA A 29 -6.204 -5.130 4.109 1.00 0.00 C ATOM 314 O ALA A 29 -7.218 -5.000 3.429 1.00 0.00 O ATOM 315 CB ALA A 29 -6.530 -3.949 6.284 1.00 0.00 C ATOM 0 H ALA A 29 -4.515 -5.369 6.634 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.222 -5.946 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.377 -3.435 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.716 -4.083 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.627 -3.354 6.145 1.00 0.00 H new ATOM 321 N LEU A 30 -4.983 -5.119 3.557 1.00 0.00 N ATOM 322 CA LEU A 30 -4.750 -4.820 2.139 1.00 0.00 C ATOM 323 C LEU A 30 -5.476 -5.792 1.189 1.00 0.00 C ATOM 324 O LEU A 30 -5.952 -5.374 0.142 1.00 0.00 O ATOM 325 CB LEU A 30 -3.230 -4.722 1.902 1.00 0.00 C ATOM 326 CG LEU A 30 -2.799 -4.197 0.516 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.518 -2.909 0.090 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.290 -3.915 0.541 1.00 0.00 C ATOM 0 H LEU A 30 -4.131 -5.317 4.081 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.195 -3.856 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.804 -4.071 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.794 -5.711 2.047 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.065 -4.970 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.162 -2.602 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.592 -3.089 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.310 -2.120 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.973 -3.543 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.072 -3.167 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.752 -4.835 0.771 1.00 0.00 H new ATOM 339 N GLU A 31 -5.665 -7.052 1.591 1.00 0.00 N ATOM 340 CA GLU A 31 -6.450 -8.057 0.857 1.00 0.00 C ATOM 341 C GLU A 31 -7.978 -7.908 1.021 1.00 0.00 C ATOM 342 O GLU A 31 -8.742 -8.592 0.333 1.00 0.00 O ATOM 343 CB GLU A 31 -5.994 -9.466 1.274 1.00 0.00 C ATOM 344 CG GLU A 31 -6.125 -9.739 2.780 1.00 0.00 C ATOM 345 CD GLU A 31 -5.652 -11.147 3.118 1.00 0.00 C ATOM 346 OE1 GLU A 31 -4.435 -11.343 3.343 1.00 0.00 O ATOM 347 OE2 GLU A 31 -6.496 -12.070 3.167 1.00 0.00 O ATOM 0 H GLU A 31 -5.267 -7.414 2.458 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.257 -7.892 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.581 -10.204 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.954 -9.604 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.538 -9.010 3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.163 -9.616 3.087 1.00 0.00 H new ATOM 352 N ARG A 32 -8.435 -7.031 1.926 1.00 0.00 N ATOM 353 CA ARG A 32 -9.849 -6.720 2.172 1.00 0.00 C ATOM 354 C ARG A 32 -10.310 -5.405 1.519 1.00 0.00 C ATOM 355 O ARG A 32 -11.521 -5.168 1.426 1.00 0.00 O ATOM 356 CB ARG A 32 -10.128 -6.641 3.686 1.00 0.00 C ATOM 357 CG ARG A 32 -9.787 -7.911 4.479 1.00 0.00 C ATOM 358 CD ARG A 32 -10.529 -9.138 3.940 1.00 0.00 C ATOM 359 NE ARG A 32 -10.466 -10.273 4.871 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.812 -11.523 4.588 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.188 -11.888 3.382 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.772 -12.444 5.521 1.00 0.00 N ATOM 0 H ARG A 32 -7.806 -6.500 2.528 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.414 -7.533 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.560 -5.809 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.183 -6.412 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.712 -8.089 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.043 -7.764 5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.571 -8.879 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.098 -9.430 2.982 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.128 -10.085 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.220 -11.202 2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.447 -12.858 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.475 -12.200 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.038 -13.404 5.302 1.00 0.00 H new ATOM 373 N LEU A 33 -9.379 -4.540 1.099 1.00 0.00 N ATOM 374 CA LEU A 33 -9.697 -3.274 0.427 1.00 0.00 C ATOM 375 C LEU A 33 -10.310 -3.486 -0.964 1.00 0.00 C ATOM 376 O LEU A 33 -9.972 -4.431 -1.682 1.00 0.00 O ATOM 377 CB LEU A 33 -8.453 -2.377 0.303 1.00 0.00 C ATOM 378 CG LEU A 33 -7.635 -2.148 1.583 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.537 -1.118 1.289 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.475 -1.704 2.789 1.00 0.00 C ATOM 0 H LEU A 33 -8.378 -4.699 1.216 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.439 -2.779 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.794 -2.812 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.771 -1.406 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.204 -3.108 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.949 -0.946 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.888 -1.494 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.993 -0.181 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.825 -1.563 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.978 -0.765 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.219 -2.468 3.015 1.00 0.00 H new ATOM 391 N LYS A 34 -11.178 -2.554 -1.363 1.00 0.00 N ATOM 392 CA LYS A 34 -11.851 -2.552 -2.664 1.00 0.00 C ATOM 393 C LYS A 34 -10.866 -2.782 -3.833 1.00 0.00 C ATOM 394 O LYS A 34 -9.865 -2.085 -3.971 1.00 0.00 O ATOM 395 CB LYS A 34 -12.615 -1.221 -2.804 1.00 0.00 C ATOM 396 CG LYS A 34 -13.429 -1.155 -4.103 1.00 0.00 C ATOM 397 CD LYS A 34 -14.128 0.194 -4.289 1.00 0.00 C ATOM 398 CE LYS A 34 -14.732 0.223 -5.696 1.00 0.00 C ATOM 399 NZ LYS A 34 -15.490 1.464 -5.946 1.00 0.00 N ATOM 0 H LYS A 34 -11.439 -1.761 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.552 -3.385 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.283 -1.096 -1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.907 -0.393 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.769 -1.339 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.175 -1.950 -4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.906 0.327 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.419 1.012 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.936 0.129 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.390 -0.636 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.882 1.443 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.266 1.541 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.857 2.283 -5.848 1.00 0.00 H new ATOM 409 N GLY A 35 -11.136 -3.774 -4.685 1.00 0.00 N ATOM 410 CA GLY A 35 -10.445 -3.993 -5.964 1.00 0.00 C ATOM 411 C GLY A 35 -9.042 -4.605 -5.881 1.00 0.00 C ATOM 412 O GLY A 35 -8.489 -4.915 -6.937 1.00 0.00 O ATOM 0 H GLY A 35 -11.861 -4.468 -4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.066 -4.642 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.371 -3.036 -6.481 1.00 0.00 H new ATOM 416 N VAL A 36 -8.468 -4.791 -4.685 1.00 0.00 N ATOM 417 CA VAL A 36 -7.107 -5.333 -4.505 1.00 0.00 C ATOM 418 C VAL A 36 -7.113 -6.864 -4.635 1.00 0.00 C ATOM 419 O VAL A 36 -7.918 -7.549 -4.001 1.00 0.00 O ATOM 420 CB VAL A 36 -6.474 -4.901 -3.161 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.037 -5.444 -3.015 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.426 -3.367 -3.039 1.00 0.00 C ATOM 0 H VAL A 36 -8.935 -4.569 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.488 -4.914 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.102 -5.316 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.622 -5.122 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.054 -6.533 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.419 -5.061 -3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.976 -3.092 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.829 -2.956 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.438 -2.966 -3.092 1.00 0.00 H new ATOM 432 N ALA A 37 -6.197 -7.386 -5.460 1.00 0.00 N ATOM 433 CA ALA A 37 -6.078 -8.805 -5.814 1.00 0.00 C ATOM 434 C ALA A 37 -4.923 -9.540 -5.103 1.00 0.00 C ATOM 435 O ALA A 37 -5.096 -10.704 -4.735 1.00 0.00 O ATOM 436 CB ALA A 37 -5.917 -8.880 -7.340 1.00 0.00 C ATOM 0 H ALA A 37 -5.491 -6.809 -5.917 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.977 -9.319 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.825 -9.922 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.790 -8.437 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.022 -8.334 -7.639 1.00 0.00 H new ATOM 442 N GLU A 38 -3.767 -8.889 -4.895 1.00 0.00 N ATOM 443 CA GLU A 38 -2.587 -9.464 -4.215 1.00 0.00 C ATOM 444 C GLU A 38 -1.428 -8.475 -4.019 1.00 0.00 C ATOM 445 O GLU A 38 -1.050 -7.743 -4.932 1.00 0.00 O ATOM 446 CB GLU A 38 -2.074 -10.767 -4.863 1.00 0.00 C ATOM 447 CG GLU A 38 -1.828 -10.659 -6.372 1.00 0.00 C ATOM 448 CD GLU A 38 -1.350 -11.985 -6.941 1.00 0.00 C ATOM 449 OE1 GLU A 38 -2.065 -13.001 -6.768 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.260 -12.009 -7.561 1.00 0.00 O ATOM 0 H GLU A 38 -3.620 -7.927 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.967 -9.712 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.146 -11.062 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.798 -11.561 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.747 -10.354 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.086 -9.886 -6.569 1.00 0.00 H new ATOM 455 N ALA A 39 -0.817 -8.482 -2.832 1.00 0.00 N ATOM 456 CA ALA A 39 0.123 -7.455 -2.370 1.00 0.00 C ATOM 457 C ALA A 39 1.002 -7.932 -1.203 1.00 0.00 C ATOM 458 O ALA A 39 0.578 -8.792 -0.426 1.00 0.00 O ATOM 459 CB ALA A 39 -0.705 -6.245 -1.931 1.00 0.00 C ATOM 0 H ALA A 39 -0.966 -9.222 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 39 0.803 -7.210 -3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.039 -5.457 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.288 -5.878 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.378 -6.538 -1.125 1.00 0.00 H new ATOM 465 N SER A 40 2.187 -7.340 -1.038 1.00 0.00 N ATOM 466 CA SER A 40 3.115 -7.668 0.059 1.00 0.00 C ATOM 467 C SER A 40 4.021 -6.486 0.454 1.00 0.00 C ATOM 468 O SER A 40 4.528 -5.771 -0.416 1.00 0.00 O ATOM 469 CB SER A 40 4.025 -8.854 -0.306 1.00 0.00 C ATOM 470 OG SER A 40 3.311 -10.036 -0.632 1.00 0.00 O ATOM 0 H SER A 40 2.537 -6.614 -1.663 1.00 0.00 H new ATOM 0 HA SER A 40 2.475 -7.923 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.653 -8.573 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.692 -9.061 0.531 1.00 0.00 H new ATOM 0 HG SER A 40 3.944 -10.750 -0.855 1.00 0.00 H new ATOM 475 N VAL A 41 4.279 -6.311 1.756 1.00 0.00 N ATOM 476 CA VAL A 41 5.178 -5.272 2.307 1.00 0.00 C ATOM 477 C VAL A 41 6.660 -5.656 2.186 1.00 0.00 C ATOM 478 O VAL A 41 7.004 -6.841 2.220 1.00 0.00 O ATOM 479 CB VAL A 41 4.840 -4.917 3.783 1.00 0.00 C ATOM 480 CG1 VAL A 41 3.371 -4.474 3.915 1.00 0.00 C ATOM 481 CG2 VAL A 41 5.147 -6.053 4.771 1.00 0.00 C ATOM 0 H VAL A 41 3.862 -6.898 2.478 1.00 0.00 H new ATOM 0 HA VAL A 41 5.006 -4.385 1.697 1.00 0.00 H new ATOM 0 HB VAL A 41 5.495 -4.088 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.156 -4.231 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.199 -3.595 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.716 -5.282 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.887 -5.737 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.563 -6.934 4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.209 -6.295 4.728 1.00 0.00 H new ATOM 491 N THR A 42 7.540 -4.648 2.096 1.00 0.00 N ATOM 492 CA THR A 42 8.999 -4.779 2.229 1.00 0.00 C ATOM 493 C THR A 42 9.466 -3.813 3.310 1.00 0.00 C ATOM 494 O THR A 42 9.701 -2.632 3.056 1.00 0.00 O ATOM 495 CB THR A 42 9.687 -4.526 0.879 1.00 0.00 C ATOM 496 OG1 THR A 42 9.306 -5.574 0.020 1.00 0.00 O ATOM 497 CG2 THR A 42 11.213 -4.544 0.959 1.00 0.00 C ATOM 0 H THR A 42 7.246 -3.687 1.923 1.00 0.00 H new ATOM 0 HA THR A 42 9.270 -5.792 2.525 1.00 0.00 H new ATOM 0 HB THR A 42 9.386 -3.537 0.534 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.725 -5.447 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.631 -4.358 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.550 -3.769 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.547 -5.518 1.317 1.00 0.00 H new ATOM 505 N VAL A 43 9.596 -4.324 4.536 1.00 0.00 N ATOM 506 CA VAL A 43 10.070 -3.548 5.698 1.00 0.00 C ATOM 507 C VAL A 43 11.516 -3.059 5.516 1.00 0.00 C ATOM 508 O VAL A 43 11.847 -1.965 5.974 1.00 0.00 O ATOM 509 CB VAL A 43 9.928 -4.385 6.990 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.767 -3.894 8.178 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.448 -4.385 7.403 1.00 0.00 C ATOM 0 H VAL A 43 9.375 -5.295 4.758 1.00 0.00 H new ATOM 0 HA VAL A 43 9.444 -2.659 5.781 1.00 0.00 H new ATOM 0 HB VAL A 43 10.303 -5.380 6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.599 -4.545 9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.823 -3.912 7.910 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.475 -2.875 8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.324 -4.971 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.120 -3.361 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.848 -4.823 6.606 1.00 0.00 H new ATOM 521 N ALA A 44 12.354 -3.838 4.815 1.00 0.00 N ATOM 522 CA ALA A 44 13.778 -3.571 4.579 1.00 0.00 C ATOM 523 C ALA A 44 14.103 -2.137 4.116 1.00 0.00 C ATOM 524 O ALA A 44 15.139 -1.587 4.505 1.00 0.00 O ATOM 525 CB ALA A 44 14.250 -4.584 3.527 1.00 0.00 C ATOM 0 H ALA A 44 12.043 -4.707 4.380 1.00 0.00 H new ATOM 0 HA ALA A 44 14.299 -3.673 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.308 -4.425 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.103 -5.596 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.675 -4.452 2.611 1.00 0.00 H new ATOM 531 N THR A 45 13.222 -1.540 3.303 1.00 0.00 N ATOM 532 CA THR A 45 13.387 -0.229 2.645 1.00 0.00 C ATOM 533 C THR A 45 12.161 0.679 2.779 1.00 0.00 C ATOM 534 O THR A 45 12.180 1.802 2.272 1.00 0.00 O ATOM 535 CB THR A 45 13.712 -0.451 1.162 1.00 0.00 C ATOM 536 OG1 THR A 45 12.743 -1.323 0.623 1.00 0.00 O ATOM 537 CG2 THR A 45 15.099 -1.067 0.974 1.00 0.00 C ATOM 0 H THR A 45 12.329 -1.976 3.072 1.00 0.00 H new ATOM 0 HA THR A 45 14.205 0.285 3.151 1.00 0.00 H new ATOM 0 HB THR A 45 13.703 0.513 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.933 -1.476 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.293 -1.209 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.853 -0.401 1.395 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.141 -2.030 1.482 1.00 0.00 H new ATOM 545 N GLY A 46 11.085 0.212 3.430 1.00 0.00 N ATOM 546 CA GLY A 46 9.807 0.929 3.520 1.00 0.00 C ATOM 547 C GLY A 46 9.170 1.100 2.140 1.00 0.00 C ATOM 548 O GLY A 46 8.812 2.211 1.743 1.00 0.00 O ATOM 0 H GLY A 46 11.079 -0.686 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.126 0.383 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.967 1.907 3.973 1.00 0.00 H new ATOM 552 N ARG A 47 9.073 -0.001 1.387 1.00 0.00 N ATOM 553 CA ARG A 47 8.509 -0.044 0.032 1.00 0.00 C ATOM 554 C ARG A 47 7.437 -1.135 -0.042 1.00 0.00 C ATOM 555 O ARG A 47 7.373 -2.023 0.813 1.00 0.00 O ATOM 556 CB ARG A 47 9.612 -0.255 -1.027 1.00 0.00 C ATOM 557 CG ARG A 47 10.703 0.832 -0.987 1.00 0.00 C ATOM 558 CD ARG A 47 11.838 0.579 -1.992 1.00 0.00 C ATOM 559 NE ARG A 47 11.587 1.192 -3.307 1.00 0.00 N ATOM 560 CZ ARG A 47 11.870 2.442 -3.659 1.00 0.00 C ATOM 561 NH1 ARG A 47 12.403 3.325 -2.838 1.00 0.00 N ATOM 562 NH2 ARG A 47 11.597 2.817 -4.886 1.00 0.00 N ATOM 0 H ARG A 47 9.394 -0.913 1.712 1.00 0.00 H new ATOM 0 HA ARG A 47 8.042 0.916 -0.189 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.073 -1.230 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.158 -0.270 -2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.250 1.802 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.120 0.884 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.770 0.972 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.972 -0.495 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 47 11.154 0.600 -4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.620 3.062 -1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.599 4.271 -3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.179 2.156 -5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.803 3.770 -5.186 1.00 0.00 H new ATOM 573 N LEU A 48 6.547 -1.043 -1.026 1.00 0.00 N ATOM 574 CA LEU A 48 5.341 -1.873 -1.099 1.00 0.00 C ATOM 575 C LEU A 48 5.001 -2.159 -2.563 1.00 0.00 C ATOM 576 O LEU A 48 5.165 -1.274 -3.401 1.00 0.00 O ATOM 577 CB LEU A 48 4.205 -1.129 -0.361 1.00 0.00 C ATOM 578 CG LEU A 48 3.272 -2.028 0.469 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.361 -1.133 1.310 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.396 -2.970 -0.368 1.00 0.00 C ATOM 0 H LEU A 48 6.640 -0.387 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 48 5.492 -2.839 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.648 -0.383 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.607 -0.590 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 48 3.913 -2.663 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.691 -1.753 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.968 -0.515 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.773 -0.492 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.769 -3.568 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.764 -2.383 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.032 -3.629 -0.959 1.00 0.00 H new ATOM 591 N THR A 49 4.511 -3.371 -2.844 1.00 0.00 N ATOM 592 CA THR A 49 4.044 -3.836 -4.161 1.00 0.00 C ATOM 593 C THR A 49 2.616 -4.346 -4.005 1.00 0.00 C ATOM 594 O THR A 49 2.348 -5.149 -3.111 1.00 0.00 O ATOM 595 CB THR A 49 4.949 -4.952 -4.704 1.00 0.00 C ATOM 596 OG1 THR A 49 6.277 -4.493 -4.808 1.00 0.00 O ATOM 597 CG2 THR A 49 4.539 -5.399 -6.106 1.00 0.00 C ATOM 0 H THR A 49 4.424 -4.091 -2.127 1.00 0.00 H new ATOM 0 HA THR A 49 4.078 -3.011 -4.873 1.00 0.00 H new ATOM 0 HB THR A 49 4.856 -5.784 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.846 -5.213 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.208 -6.189 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.516 -5.775 -6.083 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.600 -4.553 -6.790 1.00 0.00 H new ATOM 605 N VAL A 50 1.716 -3.888 -4.875 1.00 0.00 N ATOM 606 CA VAL A 50 0.261 -4.136 -4.806 1.00 0.00 C ATOM 607 C VAL A 50 -0.332 -4.391 -6.199 1.00 0.00 C ATOM 608 O VAL A 50 0.088 -3.758 -7.165 1.00 0.00 O ATOM 609 CB VAL A 50 -0.450 -2.960 -4.079 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.206 -1.601 -4.762 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.967 -3.169 -3.906 1.00 0.00 C ATOM 0 H VAL A 50 1.980 -3.315 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 50 0.092 -5.042 -4.225 1.00 0.00 H new ATOM 0 HB VAL A 50 0.007 -2.948 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.727 -0.818 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.863 -1.387 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.581 -1.635 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.396 -2.309 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.434 -3.276 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.146 -4.070 -3.319 1.00 0.00 H new ATOM 621 N THR A 51 -1.300 -5.315 -6.302 1.00 0.00 N ATOM 622 CA THR A 51 -2.056 -5.638 -7.526 1.00 0.00 C ATOM 623 C THR A 51 -3.503 -5.181 -7.375 1.00 0.00 C ATOM 624 O THR A 51 -4.187 -5.667 -6.477 1.00 0.00 O ATOM 625 CB THR A 51 -2.030 -7.144 -7.836 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.699 -7.606 -7.799 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.593 -7.437 -9.234 1.00 0.00 C ATOM 0 H THR A 51 -1.590 -5.881 -5.504 1.00 0.00 H new ATOM 0 HA THR A 51 -1.579 -5.114 -8.354 1.00 0.00 H new ATOM 0 HB THR A 51 -2.643 -7.648 -7.089 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.438 -7.778 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.560 -8.510 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.625 -7.090 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.994 -6.919 -9.983 1.00 0.00 H new ATOM 635 N TYR A 52 -3.982 -4.306 -8.264 1.00 0.00 N ATOM 636 CA TYR A 52 -5.345 -3.734 -8.241 1.00 0.00 C ATOM 637 C TYR A 52 -5.841 -3.292 -9.636 1.00 0.00 C ATOM 638 O TYR A 52 -5.057 -3.218 -10.580 1.00 0.00 O ATOM 639 CB TYR A 52 -5.405 -2.558 -7.248 1.00 0.00 C ATOM 640 CG TYR A 52 -4.586 -1.336 -7.637 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.156 -0.303 -8.410 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.249 -1.223 -7.212 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.397 0.834 -8.754 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.493 -0.082 -7.532 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.062 0.952 -8.304 1.00 0.00 C ATOM 646 OH TYR A 52 -2.322 2.052 -8.603 1.00 0.00 O ATOM 0 H TYR A 52 -3.422 -3.962 -9.044 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.017 -4.527 -7.913 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.446 -2.255 -7.131 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.064 -2.909 -6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.181 -0.384 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.801 -2.019 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.835 1.613 -9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.474 0.003 -7.186 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.429 1.962 -8.211 1.00 0.00 H new ATOM 655 N ASP A 53 -7.140 -2.990 -9.778 1.00 0.00 N ATOM 656 CA ASP A 53 -7.763 -2.493 -11.006 1.00 0.00 C ATOM 657 C ASP A 53 -7.848 -0.949 -10.980 1.00 0.00 C ATOM 658 O ASP A 53 -8.537 -0.402 -10.107 1.00 0.00 O ATOM 659 CB ASP A 53 -9.158 -3.117 -11.143 1.00 0.00 C ATOM 660 CG ASP A 53 -9.854 -2.664 -12.427 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.458 -1.563 -12.447 1.00 0.00 O ATOM 662 OD2 ASP A 53 -9.771 -3.422 -13.422 1.00 0.00 O ATOM 0 H ASP A 53 -7.806 -3.090 -9.012 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.158 -2.776 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.073 -4.204 -11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.767 -2.841 -10.282 1.00 0.00 H new ATOM 666 N PRO A 54 -7.196 -0.244 -11.929 1.00 0.00 N ATOM 667 CA PRO A 54 -6.983 1.202 -11.885 1.00 0.00 C ATOM 668 C PRO A 54 -8.236 2.027 -12.224 1.00 0.00 C ATOM 669 O PRO A 54 -8.133 3.248 -12.340 1.00 0.00 O ATOM 670 CB PRO A 54 -5.838 1.459 -12.874 1.00 0.00 C ATOM 671 CG PRO A 54 -6.067 0.391 -13.938 1.00 0.00 C ATOM 672 CD PRO A 54 -6.527 -0.797 -13.098 1.00 0.00 C ATOM 0 HA PRO A 54 -6.741 1.524 -10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.883 2.464 -13.293 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.862 1.355 -12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.821 0.694 -14.665 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.157 0.169 -14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.204 -1.435 -13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.679 -1.415 -12.803 1.00 0.00 H new ATOM 677 N LYS A 55 -9.407 1.390 -12.370 1.00 0.00 N ATOM 678 CA LYS A 55 -10.684 2.091 -12.618 1.00 0.00 C ATOM 679 C LYS A 55 -11.731 1.796 -11.533 1.00 0.00 C ATOM 680 O LYS A 55 -12.490 2.692 -11.154 1.00 0.00 O ATOM 681 CB LYS A 55 -11.218 1.786 -14.032 1.00 0.00 C ATOM 682 CG LYS A 55 -10.523 2.636 -15.112 1.00 0.00 C ATOM 683 CD LYS A 55 -11.207 2.471 -16.480 1.00 0.00 C ATOM 684 CE LYS A 55 -10.595 3.360 -17.576 1.00 0.00 C ATOM 685 NZ LYS A 55 -11.049 4.773 -17.515 1.00 0.00 N ATOM 0 H LYS A 55 -9.500 0.375 -12.320 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.481 3.161 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.071 0.729 -14.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.292 1.972 -14.061 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.541 3.686 -14.819 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.476 2.344 -15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.140 1.428 -16.789 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.266 2.707 -16.380 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.509 3.332 -17.491 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.849 2.947 -18.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.599 5.315 -18.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.082 4.811 -17.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.783 5.184 -16.597 1.00 0.00 H new ATOM 695 N GLN A 56 -11.719 0.588 -10.959 1.00 0.00 N ATOM 696 CA GLN A 56 -12.430 0.305 -9.709 1.00 0.00 C ATOM 697 C GLN A 56 -11.837 1.127 -8.553 1.00 0.00 C ATOM 698 O GLN A 56 -12.605 1.676 -7.766 1.00 0.00 O ATOM 699 CB GLN A 56 -12.394 -1.204 -9.401 1.00 0.00 C ATOM 700 CG GLN A 56 -13.315 -1.997 -10.347 1.00 0.00 C ATOM 701 CD GLN A 56 -13.162 -3.517 -10.255 1.00 0.00 C ATOM 702 OE1 GLN A 56 -12.997 -4.204 -11.261 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.237 -4.108 -9.080 1.00 0.00 N ATOM 0 H GLN A 56 -11.221 -0.214 -11.344 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.473 0.599 -9.824 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.372 -1.571 -9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.700 -1.373 -8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.350 -1.735 -10.130 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.116 -1.686 -11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.374 -3.551 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.158 -5.123 -9.014 1.00 0.00 H new ATOM 710 N VAL A 57 -10.508 1.284 -8.482 1.00 0.00 N ATOM 711 CA VAL A 57 -9.809 2.100 -7.464 1.00 0.00 C ATOM 712 C VAL A 57 -8.560 2.764 -8.061 1.00 0.00 C ATOM 713 O VAL A 57 -8.218 2.500 -9.210 1.00 0.00 O ATOM 714 CB VAL A 57 -9.414 1.272 -6.214 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.650 0.785 -5.448 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.501 0.076 -6.540 1.00 0.00 C ATOM 0 H VAL A 57 -9.870 0.840 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.512 2.870 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.845 1.954 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.335 0.208 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.237 1.643 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.258 0.157 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.262 -0.461 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.013 -0.595 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.580 0.436 -7.000 1.00 0.00 H new ATOM 726 N SER A 58 -7.844 3.588 -7.292 1.00 0.00 N ATOM 727 CA SER A 58 -6.471 3.987 -7.630 1.00 0.00 C ATOM 728 C SER A 58 -5.514 3.744 -6.449 1.00 0.00 C ATOM 729 O SER A 58 -5.921 3.250 -5.393 1.00 0.00 O ATOM 730 CB SER A 58 -6.439 5.451 -8.123 1.00 0.00 C ATOM 731 OG SER A 58 -6.251 6.412 -7.092 1.00 0.00 O ATOM 0 H SER A 58 -8.193 3.996 -6.425 1.00 0.00 H new ATOM 0 HA SER A 58 -6.118 3.361 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.638 5.558 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.374 5.668 -8.640 1.00 0.00 H new ATOM 0 HG SER A 58 -5.458 6.953 -7.290 1.00 0.00 H new ATOM 736 N GLU A 59 -4.255 4.174 -6.584 1.00 0.00 N ATOM 737 CA GLU A 59 -3.284 4.267 -5.482 1.00 0.00 C ATOM 738 C GLU A 59 -3.804 5.024 -4.229 1.00 0.00 C ATOM 739 O GLU A 59 -3.258 4.873 -3.135 1.00 0.00 O ATOM 740 CB GLU A 59 -1.941 4.818 -6.015 1.00 0.00 C ATOM 741 CG GLU A 59 -1.911 6.279 -6.499 1.00 0.00 C ATOM 742 CD GLU A 59 -2.797 6.564 -7.715 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.496 6.116 -8.847 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.836 7.245 -7.538 1.00 0.00 O ATOM 0 H GLU A 59 -3.872 4.474 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.121 3.256 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.197 4.710 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.622 4.184 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.222 6.926 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.883 6.546 -6.744 1.00 0.00 H new ATOM 749 N ILE A 60 -4.915 5.766 -4.334 1.00 0.00 N ATOM 750 CA ILE A 60 -5.646 6.344 -3.194 1.00 0.00 C ATOM 751 C ILE A 60 -6.148 5.287 -2.201 1.00 0.00 C ATOM 752 O ILE A 60 -6.083 5.545 -0.998 1.00 0.00 O ATOM 753 CB ILE A 60 -6.789 7.256 -3.709 1.00 0.00 C ATOM 754 CG1 ILE A 60 -6.306 8.716 -3.817 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.055 7.258 -2.829 1.00 0.00 C ATOM 756 CD1 ILE A 60 -5.147 8.959 -4.791 1.00 0.00 C ATOM 0 H ILE A 60 -5.342 5.987 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.944 6.954 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.056 6.837 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.149 9.337 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.002 9.054 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.800 7.923 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.459 6.247 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.801 7.605 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.887 10.017 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.282 8.372 -4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.447 8.660 -5.795 1.00 0.00 H new ATOM 767 N THR A 61 -6.625 4.120 -2.662 1.00 0.00 N ATOM 768 CA THR A 61 -7.199 3.074 -1.787 1.00 0.00 C ATOM 769 C THR A 61 -6.167 2.501 -0.826 1.00 0.00 C ATOM 770 O THR A 61 -6.459 2.315 0.356 1.00 0.00 O ATOM 771 CB THR A 61 -7.872 1.995 -2.646 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.129 2.514 -2.997 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.123 0.670 -1.921 1.00 0.00 C ATOM 0 H THR A 61 -6.626 3.871 -3.651 1.00 0.00 H new ATOM 0 HA THR A 61 -7.962 3.527 -1.155 1.00 0.00 H new ATOM 0 HB THR A 61 -7.209 1.774 -3.483 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.801 1.802 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.601 -0.033 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.174 0.256 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.773 0.842 -1.063 1.00 0.00 H new ATOM 781 N ILE A 62 -4.942 2.272 -1.302 1.00 0.00 N ATOM 782 CA ILE A 62 -3.815 1.863 -0.447 1.00 0.00 C ATOM 783 C ILE A 62 -3.294 3.035 0.401 1.00 0.00 C ATOM 784 O ILE A 62 -2.980 2.832 1.578 1.00 0.00 O ATOM 785 CB ILE A 62 -2.753 1.116 -1.293 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.674 0.501 -0.383 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.143 1.989 -2.402 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.706 -0.438 -1.111 1.00 0.00 C ATOM 0 H ILE A 62 -4.699 2.363 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.150 1.141 0.297 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.267 0.306 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.104 1.305 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.162 -0.049 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.407 1.409 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.931 2.320 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.658 2.858 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.023 -0.830 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.263 -1.264 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.188 0.111 -1.897 1.00 0.00 H new ATOM 799 N GLN A 63 -3.308 4.268 -0.124 1.00 0.00 N ATOM 800 CA GLN A 63 -3.014 5.474 0.657 1.00 0.00 C ATOM 801 C GLN A 63 -3.973 5.632 1.853 1.00 0.00 C ATOM 802 O GLN A 63 -3.484 5.899 2.941 1.00 0.00 O ATOM 803 CB GLN A 63 -3.007 6.708 -0.265 1.00 0.00 C ATOM 804 CG GLN A 63 -2.528 8.004 0.417 1.00 0.00 C ATOM 805 CD GLN A 63 -2.621 9.221 -0.508 1.00 0.00 C ATOM 806 OE1 GLN A 63 -1.629 9.838 -0.880 1.00 0.00 O ATOM 807 NE2 GLN A 63 -3.810 9.607 -0.919 1.00 0.00 N ATOM 0 H GLN A 63 -3.524 4.456 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.018 5.375 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.365 6.503 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.014 6.865 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.127 8.184 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.496 7.879 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.643 9.102 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.899 10.411 -1.540 1.00 0.00 H new ATOM 814 N GLU A 64 -5.288 5.399 1.714 1.00 0.00 N ATOM 815 CA GLU A 64 -6.265 5.464 2.823 1.00 0.00 C ATOM 816 C GLU A 64 -5.875 4.556 4.002 1.00 0.00 C ATOM 817 O GLU A 64 -5.919 4.985 5.162 1.00 0.00 O ATOM 818 CB GLU A 64 -7.668 5.040 2.335 1.00 0.00 C ATOM 819 CG GLU A 64 -8.434 6.031 1.452 1.00 0.00 C ATOM 820 CD GLU A 64 -8.757 7.333 2.170 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.560 7.323 3.130 1.00 0.00 O ATOM 822 OE2 GLU A 64 -8.205 8.386 1.780 1.00 0.00 O ATOM 0 H GLU A 64 -5.712 5.157 0.819 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.271 6.499 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.565 4.106 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.280 4.826 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.844 6.249 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.361 5.568 1.114 1.00 0.00 H new ATOM 827 N ARG A 65 -5.484 3.309 3.716 1.00 0.00 N ATOM 828 CA ARG A 65 -5.055 2.312 4.705 1.00 0.00 C ATOM 829 C ARG A 65 -3.735 2.701 5.368 1.00 0.00 C ATOM 830 O ARG A 65 -3.594 2.566 6.580 1.00 0.00 O ATOM 831 CB ARG A 65 -4.994 0.952 3.982 1.00 0.00 C ATOM 832 CG ARG A 65 -4.296 -0.224 4.690 1.00 0.00 C ATOM 833 CD ARG A 65 -4.685 -0.500 6.146 1.00 0.00 C ATOM 834 NE ARG A 65 -6.130 -0.431 6.398 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.702 -0.743 7.551 1.00 0.00 C ATOM 836 NH1 ARG A 65 -6.047 -1.354 8.515 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.958 -0.421 7.738 1.00 0.00 N ATOM 0 H ARG A 65 -5.456 2.954 2.760 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.766 2.252 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.017 0.647 3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.495 1.107 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.489 -1.128 4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.221 -0.048 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.324 -1.489 6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.179 0.219 6.790 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.733 -0.123 5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.066 -1.603 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.520 -1.579 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.476 0.061 7.003 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.418 -0.652 8.619 1.00 0.00 H new ATOM 848 N ILE A 66 -2.769 3.206 4.607 1.00 0.00 N ATOM 849 CA ILE A 66 -1.474 3.648 5.150 1.00 0.00 C ATOM 850 C ILE A 66 -1.637 4.921 5.996 1.00 0.00 C ATOM 851 O ILE A 66 -1.136 4.990 7.118 1.00 0.00 O ATOM 852 CB ILE A 66 -0.495 3.809 3.969 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.189 2.422 3.350 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.820 4.467 4.403 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.410 2.531 1.951 1.00 0.00 C ATOM 0 H ILE A 66 -2.854 3.323 3.597 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.062 2.907 5.835 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.972 4.456 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.502 1.882 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.107 1.836 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.481 4.562 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.614 5.456 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.301 3.852 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.607 1.532 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.291 3.046 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.343 3.093 1.997 1.00 0.00 H new ATOM 866 N ALA A 67 -2.381 5.905 5.490 1.00 0.00 N ATOM 867 CA ALA A 67 -2.576 7.203 6.121 1.00 0.00 C ATOM 868 C ALA A 67 -3.308 7.106 7.468 1.00 0.00 C ATOM 869 O ALA A 67 -2.947 7.819 8.408 1.00 0.00 O ATOM 870 CB ALA A 67 -3.344 8.099 5.138 1.00 0.00 C ATOM 0 H ALA A 67 -2.878 5.814 4.604 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.600 7.633 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.503 9.079 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.767 8.210 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.308 7.644 4.908 1.00 0.00 H new ATOM 876 N ALA A 68 -4.325 6.240 7.570 1.00 0.00 N ATOM 877 CA ALA A 68 -5.154 6.070 8.767 1.00 0.00 C ATOM 878 C ALA A 68 -4.401 5.372 9.913 1.00 0.00 C ATOM 879 O ALA A 68 -4.600 5.692 11.086 1.00 0.00 O ATOM 880 CB ALA A 68 -6.395 5.268 8.357 1.00 0.00 C ATOM 0 H ALA A 68 -4.599 5.625 6.804 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.434 7.050 9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.037 5.122 9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.943 5.813 7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.088 4.298 7.965 1.00 0.00 H new ATOM 886 N LEU A 69 -3.516 4.430 9.572 1.00 0.00 N ATOM 887 CA LEU A 69 -2.749 3.650 10.550 1.00 0.00 C ATOM 888 C LEU A 69 -1.516 4.388 11.112 1.00 0.00 C ATOM 889 O LEU A 69 -0.873 3.857 12.016 1.00 0.00 O ATOM 890 CB LEU A 69 -2.448 2.263 9.944 1.00 0.00 C ATOM 891 CG LEU A 69 -3.572 1.217 10.151 1.00 0.00 C ATOM 892 CD1 LEU A 69 -3.655 0.786 11.622 1.00 0.00 C ATOM 893 CD2 LEU A 69 -4.971 1.679 9.708 1.00 0.00 C ATOM 0 H LEU A 69 -3.310 4.185 8.603 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.356 3.507 11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.268 2.378 8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.527 1.880 10.383 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.287 0.384 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.451 0.051 11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.706 0.345 11.926 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.867 1.655 12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.692 0.882 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.258 2.565 10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.956 1.918 8.645 1.00 0.00 H new ATOM 904 N GLY A 70 -1.225 5.616 10.661 1.00 0.00 N ATOM 905 CA GLY A 70 -0.179 6.492 11.227 1.00 0.00 C ATOM 906 C GLY A 70 1.066 6.662 10.351 1.00 0.00 C ATOM 907 O GLY A 70 2.122 7.047 10.859 1.00 0.00 O ATOM 0 H GLY A 70 -1.718 6.041 9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.611 7.475 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.127 6.090 12.193 1.00 0.00 H new ATOM 911 N TYR A 71 0.953 6.367 9.054 1.00 0.00 N ATOM 912 CA TYR A 71 2.055 6.350 8.078 1.00 0.00 C ATOM 913 C TYR A 71 1.761 7.265 6.866 1.00 0.00 C ATOM 914 O TYR A 71 0.762 7.998 6.873 1.00 0.00 O ATOM 915 CB TYR A 71 2.294 4.877 7.704 1.00 0.00 C ATOM 916 CG TYR A 71 2.463 3.984 8.921 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.633 4.073 9.695 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.399 3.169 9.355 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.737 3.372 10.911 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.505 2.446 10.558 1.00 0.00 C ATOM 921 CZ TYR A 71 2.669 2.556 11.348 1.00 0.00 C ATOM 922 OH TYR A 71 2.754 1.868 12.518 1.00 0.00 O ATOM 0 H TYR A 71 0.056 6.123 8.634 1.00 0.00 H new ATOM 0 HA TYR A 71 2.970 6.764 8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.456 4.517 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.184 4.805 7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.457 4.683 9.355 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.499 3.099 8.763 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.632 3.458 11.509 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.695 1.807 10.877 1.00 0.00 H new ATOM 0 HH TYR A 71 1.928 1.361 12.660 1.00 0.00 H new ATOM 931 N THR A 72 2.616 7.269 5.833 1.00 0.00 N ATOM 932 CA THR A 72 2.476 8.098 4.609 1.00 0.00 C ATOM 933 C THR A 72 2.925 7.317 3.367 1.00 0.00 C ATOM 934 O THR A 72 3.519 6.252 3.505 1.00 0.00 O ATOM 935 CB THR A 72 3.267 9.416 4.733 1.00 0.00 C ATOM 936 OG1 THR A 72 4.574 9.156 5.201 1.00 0.00 O ATOM 937 CG2 THR A 72 2.625 10.437 5.672 1.00 0.00 C ATOM 0 H THR A 72 3.450 6.682 5.818 1.00 0.00 H new ATOM 0 HA THR A 72 1.421 8.347 4.497 1.00 0.00 H new ATOM 0 HB THR A 72 3.276 9.845 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.069 9.999 5.275 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.240 11.337 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.630 10.691 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.547 10.012 6.673 1.00 0.00 H new ATOM 945 N LEU A 73 2.647 7.822 2.158 1.00 0.00 N ATOM 946 CA LEU A 73 2.935 7.149 0.876 1.00 0.00 C ATOM 947 C LEU A 73 3.477 8.120 -0.189 1.00 0.00 C ATOM 948 O LEU A 73 3.015 9.262 -0.286 1.00 0.00 O ATOM 949 CB LEU A 73 1.642 6.419 0.429 1.00 0.00 C ATOM 950 CG LEU A 73 1.620 5.838 -1.009 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.715 4.600 -1.069 1.00 0.00 C ATOM 952 CD2 LEU A 73 1.083 6.850 -2.039 1.00 0.00 C ATOM 0 H LEU A 73 2.204 8.733 2.037 1.00 0.00 H new ATOM 0 HA LEU A 73 3.735 6.421 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.456 5.602 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.810 7.116 0.525 1.00 0.00 H new ATOM 0 HG LEU A 73 2.652 5.587 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.709 4.203 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.092 3.840 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.299 4.877 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.087 6.397 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.064 7.133 -1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.717 7.737 -2.043 1.00 0.00 H new ATOM 963 N ALA A 74 4.388 7.634 -1.042 1.00 0.00 N ATOM 964 CA ALA A 74 4.851 8.324 -2.251 1.00 0.00 C ATOM 965 C ALA A 74 4.978 7.356 -3.447 1.00 0.00 C ATOM 966 O ALA A 74 5.784 6.423 -3.424 1.00 0.00 O ATOM 967 CB ALA A 74 6.170 9.043 -1.939 1.00 0.00 C ATOM 0 H ALA A 74 4.834 6.727 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 74 4.111 9.067 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.523 9.559 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.010 9.767 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.916 8.314 -1.623 1.00 0.00 H new ATOM 973 N GLU A 75 4.211 7.593 -4.513 1.00 0.00 N ATOM 974 CA GLU A 75 4.104 6.744 -5.706 1.00 0.00 C ATOM 975 C GLU A 75 4.481 7.588 -6.949 1.00 0.00 C ATOM 976 O GLU A 75 3.902 8.664 -7.141 1.00 0.00 O ATOM 977 CB GLU A 75 2.675 6.163 -5.752 1.00 0.00 C ATOM 978 CG GLU A 75 2.412 5.089 -6.815 1.00 0.00 C ATOM 979 CD GLU A 75 2.397 5.605 -8.252 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.724 6.620 -8.552 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.035 4.953 -9.107 1.00 0.00 O ATOM 0 H GLU A 75 3.618 8.421 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 75 4.793 5.900 -5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.446 5.740 -4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.977 6.984 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.176 4.317 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.454 4.615 -6.604 1.00 0.00 H new ATOM 986 N PRO A 76 5.472 7.171 -7.763 1.00 0.00 N ATOM 987 CA PRO A 76 6.250 8.061 -8.639 1.00 0.00 C ATOM 988 C PRO A 76 5.511 8.599 -9.873 1.00 0.00 C ATOM 989 O PRO A 76 5.009 7.826 -10.724 1.00 0.00 O ATOM 990 CB PRO A 76 7.522 7.285 -8.997 1.00 0.00 C ATOM 991 CG PRO A 76 7.098 5.828 -8.867 1.00 0.00 C ATOM 992 CD PRO A 76 6.133 5.875 -7.690 1.00 0.00 C ATOM 0 HA PRO A 76 6.468 8.985 -8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.862 7.516 -10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.343 7.526 -8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.616 5.462 -9.774 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.947 5.173 -8.671 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.408 5.063 -7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.664 5.761 -6.745 1.00 0.00 H new