USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 26 THR OG1 : rot 27:sc= 0.559 USER MOD Set 1.2: A 29 SER OG : rot -160:sc= 1.14 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.127 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.2) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0566) USER MOD Single : A 5 THR OG1 : rot -126:sc= -0.988 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= -0.468 (180deg=-3.12!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.935 USER MOD Single : A 46 MET CE :methyl -148:sc= -0.182 (180deg=-1.07) USER MOD Single : A 47 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.43) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 65 SER OG : rot 61:sc= 0.015 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.63 USER MOD Single : A 68 GLN : amide:sc= -7.31! C(o=-7.3!,f=-4.1!) USER MOD Single : A 69 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.647 -2.805 9.293 1.00 0.00 N ATOM 2 CA ALA A 1 -6.362 -3.704 8.182 1.00 71.14 C ATOM 3 C ALA A 1 -6.121 -5.127 8.674 1.00 21.23 C ATOM 4 O ALA A 1 -5.994 -5.366 9.876 1.00 75.33 O ATOM 5 CB ALA A 1 -5.161 -3.206 7.393 1.00 25.14 C ATOM 0 H1 ALA A 1 -7.627 -2.463 9.221 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.523 -3.314 10.192 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.995 -1.996 9.261 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.233 -3.717 7.526 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -4.960 -3.888 6.567 1.00 25.14 H new ATOM 0 HB2 ALA A 1 -5.371 -2.211 7.000 1.00 25.14 H new ATOM 0 HB3 ALA A 1 -4.290 -3.162 8.046 1.00 25.14 H new ATOM 11 N LYS A 2 -6.057 -6.069 7.739 1.00 33.40 N ATOM 12 CA LYS A 2 -5.830 -7.469 8.078 1.00 42.02 C ATOM 13 C LYS A 2 -4.468 -7.936 7.575 1.00 74.34 C ATOM 14 O LYS A 2 -3.911 -7.365 6.637 1.00 14.33 O ATOM 15 CB LYS A 2 -6.934 -8.345 7.482 1.00 40.33 C ATOM 16 CG LYS A 2 -7.250 -8.023 6.032 1.00 50.41 C ATOM 17 CD LYS A 2 -8.445 -7.092 5.914 1.00 74.02 C ATOM 18 CE LYS A 2 -9.222 -7.342 4.631 1.00 61.43 C ATOM 19 NZ LYS A 2 -10.641 -6.903 4.747 1.00 65.33 N ATOM 0 H LYS A 2 -6.159 -5.888 6.740 1.00 33.40 H new ATOM 0 HA LYS A 2 -5.848 -7.562 9.164 1.00 42.02 H new ATOM 0 HB2 LYS A 2 -6.636 -9.391 7.557 1.00 40.33 H new ATOM 0 HB3 LYS A 2 -7.840 -8.228 8.077 1.00 40.33 H new ATOM 0 HG2 LYS A 2 -6.381 -7.562 5.563 1.00 50.41 H new ATOM 0 HG3 LYS A 2 -7.452 -8.946 5.489 1.00 50.41 H new ATOM 0 HD2 LYS A 2 -9.103 -7.232 6.772 1.00 74.02 H new ATOM 0 HD3 LYS A 2 -8.105 -6.057 5.939 1.00 74.02 H new ATOM 0 HE2 LYS A 2 -8.744 -6.811 3.808 1.00 61.43 H new ATOM 0 HE3 LYS A 2 -9.189 -8.404 4.388 1.00 61.43 H new ATOM 0 HZ1 LYS A 2 -11.062 -6.834 3.798 1.00 65.33 H new ATOM 0 HZ2 LYS A 2 -11.173 -7.595 5.312 1.00 65.33 H new ATOM 0 HZ3 LYS A 2 -10.680 -5.973 5.212 1.00 65.33 H new ATOM 33 N LYS A 3 -3.937 -8.980 8.203 1.00 1.14 N ATOM 34 CA LYS A 3 -2.641 -9.526 7.817 1.00 63.41 C ATOM 35 C LYS A 3 -2.621 -9.887 6.336 1.00 53.31 C ATOM 36 O LYS A 3 -1.583 -9.803 5.681 1.00 32.34 O ATOM 37 CB LYS A 3 -2.315 -10.763 8.658 1.00 34.43 C ATOM 38 CG LYS A 3 -3.450 -11.771 8.723 1.00 10.25 C ATOM 39 CD LYS A 3 -4.022 -11.877 10.127 1.00 22.42 C ATOM 40 CE LYS A 3 -3.266 -12.902 10.960 1.00 51.33 C ATOM 41 NZ LYS A 3 -3.619 -14.297 10.575 1.00 23.50 N ATOM 0 H LYS A 3 -4.384 -9.465 8.981 1.00 1.14 H new ATOM 0 HA LYS A 3 -1.885 -8.761 7.997 1.00 63.41 H new ATOM 0 HB2 LYS A 3 -1.431 -11.250 8.246 1.00 34.43 H new ATOM 0 HB3 LYS A 3 -2.062 -10.447 9.670 1.00 34.43 H new ATOM 0 HG2 LYS A 3 -4.238 -11.478 8.029 1.00 10.25 H new ATOM 0 HG3 LYS A 3 -3.089 -12.748 8.401 1.00 10.25 H new ATOM 0 HD2 LYS A 3 -3.975 -10.903 10.615 1.00 22.42 H new ATOM 0 HD3 LYS A 3 -5.074 -12.155 10.072 1.00 22.42 H new ATOM 0 HE2 LYS A 3 -2.194 -12.751 10.836 1.00 51.33 H new ATOM 0 HE3 LYS A 3 -3.490 -12.749 12.016 1.00 51.33 H new ATOM 0 HZ1 LYS A 3 -3.234 -14.959 11.278 1.00 23.50 H new ATOM 0 HZ2 LYS A 3 -4.654 -14.395 10.537 1.00 23.50 H new ATOM 0 HZ3 LYS A 3 -3.217 -14.512 9.640 1.00 23.50 H new ATOM 55 N GLU A 4 -3.777 -10.287 5.813 1.00 65.42 N ATOM 56 CA GLU A 4 -3.890 -10.660 4.408 1.00 13.20 C ATOM 57 C GLU A 4 -3.642 -9.456 3.505 1.00 3.40 C ATOM 58 O GLU A 4 -2.824 -9.513 2.585 1.00 73.01 O ATOM 59 CB GLU A 4 -5.275 -11.247 4.124 1.00 1.11 C ATOM 60 CG GLU A 4 -5.409 -12.708 4.519 1.00 64.35 C ATOM 61 CD GLU A 4 -4.772 -13.646 3.512 1.00 55.51 C ATOM 62 OE1 GLU A 4 -4.554 -13.219 2.359 1.00 54.23 O ATOM 63 OE2 GLU A 4 -4.494 -14.807 3.877 1.00 51.31 O ATOM 0 H GLU A 4 -4.647 -10.361 6.341 1.00 65.42 H new ATOM 0 HA GLU A 4 -3.132 -11.414 4.196 1.00 13.20 H new ATOM 0 HB2 GLU A 4 -6.024 -10.664 4.660 1.00 1.11 H new ATOM 0 HB3 GLU A 4 -5.493 -11.145 3.061 1.00 1.11 H new ATOM 0 HG2 GLU A 4 -4.947 -12.860 5.494 1.00 64.35 H new ATOM 0 HG3 GLU A 4 -6.465 -12.957 4.624 1.00 64.35 H new ATOM 70 N THR A 5 -4.353 -8.365 3.772 1.00 2.53 N ATOM 71 CA THR A 5 -4.211 -7.147 2.983 1.00 63.31 C ATOM 72 C THR A 5 -2.771 -6.647 2.999 1.00 74.21 C ATOM 73 O THR A 5 -2.205 -6.323 1.954 1.00 74.13 O ATOM 74 CB THR A 5 -5.137 -6.031 3.503 1.00 65.24 C ATOM 75 OG1 THR A 5 -6.500 -6.465 3.456 1.00 0.24 O ATOM 76 CG2 THR A 5 -4.972 -4.765 2.676 1.00 75.11 C ATOM 0 H THR A 5 -5.033 -8.300 4.529 1.00 2.53 H new ATOM 0 HA THR A 5 -4.494 -7.397 1.960 1.00 63.31 H new ATOM 0 HB THR A 5 -4.863 -5.810 4.535 1.00 65.24 H new ATOM 0 HG1 THR A 5 -7.034 -5.814 2.955 1.00 0.24 H new ATOM 0 HG21 THR A 5 -5.635 -3.990 3.061 1.00 75.11 H new ATOM 0 HG22 THR A 5 -3.939 -4.422 2.738 1.00 75.11 H new ATOM 0 HG23 THR A 5 -5.223 -4.974 1.636 1.00 75.11 H new ATOM 84 N ILE A 6 -2.184 -6.586 4.189 1.00 23.50 N ATOM 85 CA ILE A 6 -0.808 -6.127 4.339 1.00 13.11 C ATOM 86 C ILE A 6 0.132 -6.894 3.415 1.00 10.53 C ATOM 87 O ILE A 6 0.999 -6.306 2.768 1.00 53.32 O ATOM 88 CB ILE A 6 -0.319 -6.278 5.791 1.00 60.23 C ATOM 89 CG1 ILE A 6 -1.225 -5.492 6.742 1.00 41.14 C ATOM 90 CG2 ILE A 6 1.122 -5.808 5.916 1.00 23.44 C ATOM 91 CD1 ILE A 6 -1.032 -5.855 8.198 1.00 63.21 C ATOM 0 H ILE A 6 -2.639 -6.848 5.063 1.00 23.50 H new ATOM 0 HA ILE A 6 -0.797 -5.071 4.069 1.00 13.11 H new ATOM 0 HB ILE A 6 -0.362 -7.332 6.065 1.00 60.23 H new ATOM 0 HG12 ILE A 6 -1.036 -4.426 6.613 1.00 41.14 H new ATOM 0 HG13 ILE A 6 -2.265 -5.666 6.467 1.00 41.14 H new ATOM 0 HG21 ILE A 6 1.453 -5.921 6.948 1.00 23.44 H new ATOM 0 HG22 ILE A 6 1.758 -6.406 5.263 1.00 23.44 H new ATOM 0 HG23 ILE A 6 1.189 -4.759 5.626 1.00 23.44 H new ATOM 0 HD11 ILE A 6 -1.706 -5.259 8.814 1.00 63.21 H new ATOM 0 HD12 ILE A 6 -1.250 -6.913 8.341 1.00 63.21 H new ATOM 0 HD13 ILE A 6 -0.001 -5.654 8.490 1.00 63.21 H new ATOM 103 N ASP A 7 -0.048 -8.208 3.357 1.00 72.54 N ATOM 104 CA ASP A 7 0.782 -9.057 2.509 1.00 31.45 C ATOM 105 C ASP A 7 0.598 -8.701 1.038 1.00 21.13 C ATOM 106 O ASP A 7 1.544 -8.754 0.252 1.00 13.13 O ATOM 107 CB ASP A 7 0.442 -10.530 2.738 1.00 65.11 C ATOM 108 CG ASP A 7 1.353 -11.462 1.962 1.00 1.24 C ATOM 109 OD1 ASP A 7 2.567 -11.479 2.250 1.00 44.12 O ATOM 110 OD2 ASP A 7 0.851 -12.172 1.065 1.00 73.14 O ATOM 0 H ASP A 7 -0.761 -8.709 3.887 1.00 72.54 H new ATOM 0 HA ASP A 7 1.825 -8.888 2.776 1.00 31.45 H new ATOM 0 HB2 ASP A 7 0.517 -10.756 3.802 1.00 65.11 H new ATOM 0 HB3 ASP A 7 -0.592 -10.711 2.446 1.00 65.11 H new ATOM 115 N LYS A 8 -0.627 -8.340 0.670 1.00 62.41 N ATOM 116 CA LYS A 8 -0.937 -7.975 -0.707 1.00 22.51 C ATOM 117 C LYS A 8 -0.324 -6.625 -1.063 1.00 13.22 C ATOM 118 O LYS A 8 0.419 -6.507 -2.037 1.00 10.24 O ATOM 119 CB LYS A 8 -2.453 -7.931 -0.915 1.00 65.12 C ATOM 120 CG LYS A 8 -3.170 -9.181 -0.432 1.00 2.33 C ATOM 121 CD LYS A 8 -3.878 -9.893 -1.572 1.00 2.25 C ATOM 122 CE LYS A 8 -4.983 -9.033 -2.167 1.00 21.24 C ATOM 123 NZ LYS A 8 -5.707 -9.738 -3.259 1.00 32.02 N ATOM 0 H LYS A 8 -1.422 -8.292 1.307 1.00 62.41 H new ATOM 0 HA LYS A 8 -0.508 -8.732 -1.363 1.00 22.51 H new ATOM 0 HB2 LYS A 8 -2.858 -7.065 -0.392 1.00 65.12 H new ATOM 0 HB3 LYS A 8 -2.662 -7.789 -1.975 1.00 65.12 H new ATOM 0 HG2 LYS A 8 -2.452 -9.858 0.031 1.00 2.33 H new ATOM 0 HG3 LYS A 8 -3.895 -8.912 0.336 1.00 2.33 H new ATOM 0 HD2 LYS A 8 -3.156 -10.147 -2.348 1.00 2.25 H new ATOM 0 HD3 LYS A 8 -4.300 -10.831 -1.210 1.00 2.25 H new ATOM 0 HE2 LYS A 8 -5.688 -8.755 -1.384 1.00 21.24 H new ATOM 0 HE3 LYS A 8 -4.555 -8.108 -2.553 1.00 21.24 H new ATOM 0 HZ1 LYS A 8 -6.452 -9.119 -3.638 1.00 32.02 H new ATOM 0 HZ2 LYS A 8 -5.039 -9.981 -4.018 1.00 32.02 H new ATOM 0 HZ3 LYS A 8 -6.137 -10.608 -2.885 1.00 32.02 H new ATOM 137 N VAL A 9 -0.640 -5.609 -0.267 1.00 55.32 N ATOM 138 CA VAL A 9 -0.119 -4.266 -0.498 1.00 21.43 C ATOM 139 C VAL A 9 1.406 -4.259 -0.481 1.00 40.54 C ATOM 140 O VAL A 9 2.042 -3.672 -1.356 1.00 4.43 O ATOM 141 CB VAL A 9 -0.637 -3.274 0.561 1.00 25.20 C ATOM 142 CG1 VAL A 9 -0.222 -1.854 0.210 1.00 3.11 C ATOM 143 CG2 VAL A 9 -2.149 -3.379 0.695 1.00 4.40 C ATOM 0 H VAL A 9 -1.254 -5.690 0.543 1.00 55.32 H new ATOM 0 HA VAL A 9 -0.471 -3.954 -1.481 1.00 21.43 H new ATOM 0 HB VAL A 9 -0.192 -3.530 1.522 1.00 25.20 H new ATOM 0 HG11 VAL A 9 -0.597 -1.167 0.969 1.00 3.11 H new ATOM 0 HG12 VAL A 9 0.866 -1.792 0.170 1.00 3.11 H new ATOM 0 HG13 VAL A 9 -0.637 -1.583 -0.761 1.00 3.11 H new ATOM 0 HG21 VAL A 9 -2.498 -2.671 1.447 1.00 4.40 H new ATOM 0 HG22 VAL A 9 -2.616 -3.150 -0.263 1.00 4.40 H new ATOM 0 HG23 VAL A 9 -2.418 -4.391 0.997 1.00 4.40 H new ATOM 153 N SER A 10 1.985 -4.916 0.517 1.00 30.33 N ATOM 154 CA SER A 10 3.436 -4.984 0.649 1.00 14.20 C ATOM 155 C SER A 10 4.060 -5.675 -0.559 1.00 55.01 C ATOM 156 O SER A 10 5.127 -5.282 -1.031 1.00 73.31 O ATOM 157 CB SER A 10 3.820 -5.726 1.931 1.00 51.44 C ATOM 158 OG SER A 10 3.700 -7.128 1.762 1.00 21.04 O ATOM 0 H SER A 10 1.472 -5.410 1.247 1.00 30.33 H new ATOM 0 HA SER A 10 3.819 -3.965 0.700 1.00 14.20 H new ATOM 0 HB2 SER A 10 4.844 -5.476 2.207 1.00 51.44 H new ATOM 0 HB3 SER A 10 3.180 -5.399 2.750 1.00 51.44 H new ATOM 0 HG SER A 10 3.952 -7.581 2.594 1.00 21.04 H new ATOM 164 N ASP A 11 3.386 -6.707 -1.055 1.00 73.34 N ATOM 165 CA ASP A 11 3.872 -7.455 -2.209 1.00 34.32 C ATOM 166 C ASP A 11 3.991 -6.550 -3.431 1.00 70.20 C ATOM 167 O ASP A 11 4.966 -6.627 -4.179 1.00 21.11 O ATOM 168 CB ASP A 11 2.938 -8.627 -2.514 1.00 51.22 C ATOM 169 CG ASP A 11 3.409 -9.923 -1.885 1.00 73.14 C ATOM 170 OD1 ASP A 11 4.638 -10.136 -1.816 1.00 21.32 O ATOM 171 OD2 ASP A 11 2.549 -10.723 -1.461 1.00 43.41 O ATOM 0 H ASP A 11 2.501 -7.045 -0.676 1.00 73.34 H new ATOM 0 HA ASP A 11 4.862 -7.843 -1.970 1.00 34.32 H new ATOM 0 HB2 ASP A 11 1.937 -8.394 -2.151 1.00 51.22 H new ATOM 0 HB3 ASP A 11 2.864 -8.757 -3.594 1.00 51.22 H new ATOM 176 N ILE A 12 2.993 -5.696 -3.628 1.00 13.03 N ATOM 177 CA ILE A 12 2.985 -4.777 -4.759 1.00 25.12 C ATOM 178 C ILE A 12 3.977 -3.638 -4.548 1.00 51.33 C ATOM 179 O ILE A 12 4.736 -3.284 -5.451 1.00 52.35 O ATOM 180 CB ILE A 12 1.583 -4.185 -4.996 1.00 25.13 C ATOM 181 CG1 ILE A 12 0.572 -5.303 -5.256 1.00 60.10 C ATOM 182 CG2 ILE A 12 1.611 -3.207 -6.160 1.00 4.41 C ATOM 183 CD1 ILE A 12 -0.743 -5.109 -4.533 1.00 0.33 C ATOM 0 H ILE A 12 2.179 -5.621 -3.018 1.00 13.03 H new ATOM 0 HA ILE A 12 3.278 -5.354 -5.636 1.00 25.12 H new ATOM 0 HB ILE A 12 1.276 -3.644 -4.101 1.00 25.13 H new ATOM 0 HG12 ILE A 12 0.382 -5.368 -6.327 1.00 60.10 H new ATOM 0 HG13 ILE A 12 1.008 -6.254 -4.951 1.00 60.10 H new ATOM 0 HG21 ILE A 12 0.613 -2.797 -6.315 1.00 4.41 H new ATOM 0 HG22 ILE A 12 2.305 -2.397 -5.938 1.00 4.41 H new ATOM 0 HG23 ILE A 12 1.935 -3.725 -7.063 1.00 4.41 H new ATOM 0 HD11 ILE A 12 -1.411 -5.939 -4.764 1.00 0.33 H new ATOM 0 HD12 ILE A 12 -0.566 -5.074 -3.458 1.00 0.33 H new ATOM 0 HD13 ILE A 12 -1.201 -4.174 -4.856 1.00 0.33 H new ATOM 195 N VAL A 13 3.967 -3.067 -3.347 1.00 40.42 N ATOM 196 CA VAL A 13 4.867 -1.969 -3.016 1.00 4.12 C ATOM 197 C VAL A 13 6.325 -2.389 -3.167 1.00 41.42 C ATOM 198 O VAL A 13 7.077 -1.794 -3.939 1.00 2.34 O ATOM 199 CB VAL A 13 4.635 -1.468 -1.577 1.00 43.53 C ATOM 200 CG1 VAL A 13 5.611 -0.352 -1.237 1.00 51.32 C ATOM 201 CG2 VAL A 13 3.198 -1.004 -1.401 1.00 40.34 C ATOM 0 H VAL A 13 3.346 -3.347 -2.588 1.00 40.42 H new ATOM 0 HA VAL A 13 4.651 -1.160 -3.714 1.00 4.12 H new ATOM 0 HB VAL A 13 4.812 -2.295 -0.889 1.00 43.53 H new ATOM 0 HG11 VAL A 13 5.432 -0.011 -0.217 1.00 51.32 H new ATOM 0 HG12 VAL A 13 6.632 -0.723 -1.322 1.00 51.32 H new ATOM 0 HG13 VAL A 13 5.469 0.479 -1.928 1.00 51.32 H new ATOM 0 HG21 VAL A 13 3.051 -0.654 -0.379 1.00 40.34 H new ATOM 0 HG22 VAL A 13 2.990 -0.191 -2.097 1.00 40.34 H new ATOM 0 HG23 VAL A 13 2.521 -1.834 -1.600 1.00 40.34 H new ATOM 211 N LYS A 14 6.719 -3.418 -2.425 1.00 32.43 N ATOM 212 CA LYS A 14 8.087 -3.920 -2.476 1.00 52.05 C ATOM 213 C LYS A 14 8.501 -4.224 -3.913 1.00 3.51 C ATOM 214 O LYS A 14 9.669 -4.088 -4.273 1.00 5.32 O ATOM 215 CB LYS A 14 8.222 -5.181 -1.619 1.00 53.23 C ATOM 216 CG LYS A 14 7.549 -6.402 -2.223 1.00 30.20 C ATOM 217 CD LYS A 14 7.345 -7.495 -1.187 1.00 5.21 C ATOM 218 CE LYS A 14 8.669 -7.975 -0.613 1.00 5.42 C ATOM 219 NZ LYS A 14 8.493 -9.146 0.287 1.00 32.22 N ATOM 0 H LYS A 14 6.110 -3.921 -1.780 1.00 32.43 H new ATOM 0 HA LYS A 14 8.746 -3.147 -2.081 1.00 52.05 H new ATOM 0 HB2 LYS A 14 9.280 -5.397 -1.469 1.00 53.23 H new ATOM 0 HB3 LYS A 14 7.793 -4.989 -0.635 1.00 53.23 H new ATOM 0 HG2 LYS A 14 6.586 -6.116 -2.646 1.00 30.20 H new ATOM 0 HG3 LYS A 14 8.156 -6.785 -3.043 1.00 30.20 H new ATOM 0 HD2 LYS A 14 6.713 -7.121 -0.382 1.00 5.21 H new ATOM 0 HD3 LYS A 14 6.819 -8.334 -1.641 1.00 5.21 H new ATOM 0 HE2 LYS A 14 9.342 -8.242 -1.428 1.00 5.42 H new ATOM 0 HE3 LYS A 14 9.142 -7.162 -0.062 1.00 5.42 H new ATOM 0 HZ1 LYS A 14 9.419 -9.442 0.657 1.00 32.22 H new ATOM 0 HZ2 LYS A 14 7.871 -8.885 1.079 1.00 32.22 H new ATOM 0 HZ3 LYS A 14 8.066 -9.931 -0.244 1.00 32.22 H new ATOM 233 N GLU A 15 7.535 -4.633 -4.729 1.00 20.41 N ATOM 234 CA GLU A 15 7.801 -4.955 -6.127 1.00 14.55 C ATOM 235 C GLU A 15 8.082 -3.689 -6.932 1.00 34.51 C ATOM 236 O GLU A 15 8.866 -3.704 -7.881 1.00 52.20 O ATOM 237 CB GLU A 15 6.615 -5.706 -6.734 1.00 41.34 C ATOM 238 CG GLU A 15 6.870 -6.203 -8.148 1.00 40.11 C ATOM 239 CD GLU A 15 7.685 -7.481 -8.179 1.00 4.21 C ATOM 240 OE1 GLU A 15 8.894 -7.423 -7.871 1.00 2.03 O ATOM 241 OE2 GLU A 15 7.114 -8.541 -8.511 1.00 61.03 O ATOM 0 H GLU A 15 6.562 -4.749 -4.447 1.00 20.41 H new ATOM 0 HA GLU A 15 8.684 -5.593 -6.166 1.00 14.55 H new ATOM 0 HB2 GLU A 15 6.370 -6.556 -6.098 1.00 41.34 H new ATOM 0 HB3 GLU A 15 5.744 -5.050 -6.740 1.00 41.34 H new ATOM 0 HG2 GLU A 15 5.916 -6.373 -8.647 1.00 40.11 H new ATOM 0 HG3 GLU A 15 7.392 -5.430 -8.712 1.00 40.11 H new ATOM 248 N LYS A 16 7.436 -2.593 -6.546 1.00 71.50 N ATOM 249 CA LYS A 16 7.615 -1.318 -7.228 1.00 44.54 C ATOM 250 C LYS A 16 8.872 -0.609 -6.736 1.00 63.21 C ATOM 251 O LYS A 16 9.449 0.218 -7.444 1.00 34.42 O ATOM 252 CB LYS A 16 6.393 -0.424 -7.011 1.00 10.54 C ATOM 253 CG LYS A 16 5.103 -1.012 -7.556 1.00 34.34 C ATOM 254 CD LYS A 16 4.964 -0.767 -9.048 1.00 4.42 C ATOM 255 CE LYS A 16 4.534 0.662 -9.340 1.00 40.11 C ATOM 256 NZ LYS A 16 5.700 1.548 -9.612 1.00 63.14 N ATOM 0 H LYS A 16 6.783 -2.563 -5.763 1.00 71.50 H new ATOM 0 HA LYS A 16 7.726 -1.517 -8.294 1.00 44.54 H new ATOM 0 HB2 LYS A 16 6.275 -0.238 -5.944 1.00 10.54 H new ATOM 0 HB3 LYS A 16 6.571 0.541 -7.485 1.00 10.54 H new ATOM 0 HG2 LYS A 16 5.079 -2.084 -7.359 1.00 34.34 H new ATOM 0 HG3 LYS A 16 4.253 -0.573 -7.034 1.00 34.34 H new ATOM 0 HD2 LYS A 16 5.915 -0.970 -9.541 1.00 4.42 H new ATOM 0 HD3 LYS A 16 4.234 -1.460 -9.465 1.00 4.42 H new ATOM 0 HE2 LYS A 16 3.863 0.671 -10.199 1.00 40.11 H new ATOM 0 HE3 LYS A 16 3.971 1.052 -8.492 1.00 40.11 H new ATOM 0 HZ1 LYS A 16 5.683 2.356 -8.957 1.00 63.14 H new ATOM 0 HZ2 LYS A 16 6.582 1.013 -9.478 1.00 63.14 H new ATOM 0 HZ3 LYS A 16 5.651 1.895 -10.591 1.00 63.14 H new ATOM 270 N LEU A 17 9.294 -0.938 -5.520 1.00 51.14 N ATOM 271 CA LEU A 17 10.484 -0.333 -4.933 1.00 2.13 C ATOM 272 C LEU A 17 11.706 -1.222 -5.142 1.00 22.53 C ATOM 273 O LEU A 17 12.840 -0.798 -4.923 1.00 10.03 O ATOM 274 CB LEU A 17 10.271 -0.084 -3.439 1.00 55.25 C ATOM 275 CG LEU A 17 9.029 0.728 -3.065 1.00 23.10 C ATOM 276 CD1 LEU A 17 9.001 1.002 -1.570 1.00 2.14 C ATOM 277 CD2 LEU A 17 8.990 2.032 -3.849 1.00 15.23 C ATOM 0 H LEU A 17 8.829 -1.621 -4.921 1.00 51.14 H new ATOM 0 HA LEU A 17 10.660 0.620 -5.432 1.00 2.13 H new ATOM 0 HB2 LEU A 17 10.216 -1.049 -2.934 1.00 55.25 H new ATOM 0 HB3 LEU A 17 11.149 0.431 -3.048 1.00 55.25 H new ATOM 0 HG LEU A 17 8.145 0.145 -3.323 1.00 23.10 H new ATOM 0 HD11 LEU A 17 8.111 1.580 -1.323 1.00 2.14 H new ATOM 0 HD12 LEU A 17 8.982 0.057 -1.027 1.00 2.14 H new ATOM 0 HD13 LEU A 17 9.890 1.565 -1.287 1.00 2.14 H new ATOM 0 HD21 LEU A 17 8.100 2.597 -3.571 1.00 15.23 H new ATOM 0 HD22 LEU A 17 9.879 2.620 -3.622 1.00 15.23 H new ATOM 0 HD23 LEU A 17 8.962 1.814 -4.917 1.00 15.23 H new ATOM 289 N ALA A 18 11.466 -2.458 -5.568 1.00 73.01 N ATOM 290 CA ALA A 18 12.547 -3.406 -5.810 1.00 42.21 C ATOM 291 C ALA A 18 12.008 -4.727 -6.349 1.00 32.23 C ATOM 292 O ALA A 18 10.810 -4.864 -6.603 1.00 21.23 O ATOM 293 CB ALA A 18 13.341 -3.639 -4.534 1.00 12.12 C ATOM 0 H ALA A 18 10.533 -2.826 -5.753 1.00 73.01 H new ATOM 0 HA ALA A 18 13.209 -2.979 -6.563 1.00 42.21 H new ATOM 0 HB1 ALA A 18 14.145 -4.349 -4.730 1.00 12.12 H new ATOM 0 HB2 ALA A 18 13.766 -2.695 -4.192 1.00 12.12 H new ATOM 0 HB3 ALA A 18 12.682 -4.040 -3.764 1.00 12.12 H new ATOM 299 N LEU A 19 12.898 -5.697 -6.521 1.00 1.02 N ATOM 300 CA LEU A 19 12.512 -7.008 -7.030 1.00 65.02 C ATOM 301 C LEU A 19 11.842 -7.840 -5.942 1.00 73.31 C ATOM 302 O LEU A 19 11.096 -8.775 -6.230 1.00 41.22 O ATOM 303 CB LEU A 19 13.737 -7.748 -7.572 1.00 31.42 C ATOM 304 CG LEU A 19 14.615 -6.968 -8.549 1.00 3.15 C ATOM 305 CD1 LEU A 19 15.801 -7.810 -8.991 1.00 65.31 C ATOM 306 CD2 LEU A 19 13.801 -6.515 -9.753 1.00 64.01 C ATOM 0 H LEU A 19 13.892 -5.601 -6.315 1.00 1.02 H new ATOM 0 HA LEU A 19 11.797 -6.859 -7.839 1.00 65.02 H new ATOM 0 HB2 LEU A 19 14.353 -8.056 -6.727 1.00 31.42 H new ATOM 0 HB3 LEU A 19 13.397 -8.658 -8.067 1.00 31.42 H new ATOM 0 HG LEU A 19 14.995 -6.083 -8.039 1.00 3.15 H new ATOM 0 HD11 LEU A 19 16.415 -7.237 -9.687 1.00 65.31 H new ATOM 0 HD12 LEU A 19 16.398 -8.083 -8.121 1.00 65.31 H new ATOM 0 HD13 LEU A 19 15.442 -8.714 -9.483 1.00 65.31 H new ATOM 0 HD21 LEU A 19 14.443 -5.961 -10.438 1.00 64.01 H new ATOM 0 HD22 LEU A 19 13.391 -7.386 -10.264 1.00 64.01 H new ATOM 0 HD23 LEU A 19 12.986 -5.873 -9.420 1.00 64.01 H new ATOM 318 N GLY A 20 12.111 -7.491 -4.687 1.00 34.04 N ATOM 319 CA GLY A 20 11.524 -8.212 -3.574 1.00 60.44 C ATOM 320 C GLY A 20 12.358 -9.406 -3.152 1.00 62.44 C ATOM 321 O GLY A 20 11.924 -10.220 -2.338 1.00 14.42 O ATOM 0 H GLY A 20 12.725 -6.721 -4.422 1.00 34.04 H new ATOM 0 HA2 GLY A 20 11.409 -7.536 -2.727 1.00 60.44 H new ATOM 0 HA3 GLY A 20 10.525 -8.550 -3.850 1.00 60.44 H new ATOM 325 N ALA A 21 13.560 -9.512 -3.710 1.00 31.04 N ATOM 326 CA ALA A 21 14.458 -10.615 -3.387 1.00 32.34 C ATOM 327 C ALA A 21 15.370 -10.255 -2.219 1.00 73.40 C ATOM 328 O ALA A 21 15.421 -10.968 -1.217 1.00 31.50 O ATOM 329 CB ALA A 21 15.283 -10.998 -4.606 1.00 52.41 C ATOM 0 H ALA A 21 13.934 -8.848 -4.388 1.00 31.04 H new ATOM 0 HA ALA A 21 13.852 -11.471 -3.090 1.00 32.34 H new ATOM 0 HB1 ALA A 21 15.949 -11.822 -4.350 1.00 52.41 H new ATOM 0 HB2 ALA A 21 14.618 -11.305 -5.413 1.00 52.41 H new ATOM 0 HB3 ALA A 21 15.874 -10.141 -4.929 1.00 52.41 H new ATOM 335 N ASP A 22 16.089 -9.147 -2.355 1.00 43.10 N ATOM 336 CA ASP A 22 17.000 -8.694 -1.311 1.00 2.41 C ATOM 337 C ASP A 22 16.378 -7.559 -0.503 1.00 23.41 C ATOM 338 O ASP A 22 17.064 -6.878 0.260 1.00 45.23 O ATOM 339 CB ASP A 22 18.324 -8.233 -1.924 1.00 64.24 C ATOM 340 CG ASP A 22 19.029 -9.342 -2.681 1.00 34.03 C ATOM 341 OD1 ASP A 22 19.208 -10.434 -2.102 1.00 33.24 O ATOM 342 OD2 ASP A 22 19.400 -9.118 -3.852 1.00 21.22 O ATOM 0 H ASP A 22 16.059 -8.546 -3.178 1.00 43.10 H new ATOM 0 HA ASP A 22 17.191 -9.532 -0.641 1.00 2.41 H new ATOM 0 HB2 ASP A 22 18.137 -7.398 -2.599 1.00 64.24 H new ATOM 0 HB3 ASP A 22 18.978 -7.864 -1.134 1.00 64.24 H new ATOM 347 N VAL A 23 15.075 -7.362 -0.676 1.00 31.25 N ATOM 348 CA VAL A 23 14.360 -6.311 0.038 1.00 12.01 C ATOM 349 C VAL A 23 13.239 -6.891 0.894 1.00 44.34 C ATOM 350 O VAL A 23 12.405 -7.654 0.406 1.00 15.23 O ATOM 351 CB VAL A 23 13.766 -5.275 -0.935 1.00 75.15 C ATOM 352 CG1 VAL A 23 12.995 -4.207 -0.174 1.00 70.33 C ATOM 353 CG2 VAL A 23 14.863 -4.651 -1.784 1.00 73.51 C ATOM 0 H VAL A 23 14.493 -7.916 -1.304 1.00 31.25 H new ATOM 0 HA VAL A 23 15.086 -5.817 0.683 1.00 12.01 H new ATOM 0 HB VAL A 23 13.070 -5.785 -1.601 1.00 75.15 H new ATOM 0 HG11 VAL A 23 12.583 -3.484 -0.878 1.00 70.33 H new ATOM 0 HG12 VAL A 23 12.183 -4.673 0.385 1.00 70.33 H new ATOM 0 HG13 VAL A 23 13.666 -3.698 0.518 1.00 70.33 H new ATOM 0 HG21 VAL A 23 14.425 -3.922 -2.465 1.00 73.51 H new ATOM 0 HG22 VAL A 23 15.586 -4.155 -1.137 1.00 73.51 H new ATOM 0 HG23 VAL A 23 15.365 -5.429 -2.359 1.00 73.51 H new ATOM 363 N VAL A 24 13.226 -6.523 2.171 1.00 73.13 N ATOM 364 CA VAL A 24 12.205 -7.006 3.094 1.00 24.34 C ATOM 365 C VAL A 24 11.330 -5.862 3.592 1.00 62.51 C ATOM 366 O VAL A 24 11.819 -4.913 4.206 1.00 72.03 O ATOM 367 CB VAL A 24 12.837 -7.720 4.305 1.00 42.50 C ATOM 368 CG1 VAL A 24 11.757 -8.222 5.251 1.00 32.03 C ATOM 369 CG2 VAL A 24 13.727 -8.864 3.842 1.00 30.43 C ATOM 0 H VAL A 24 13.910 -5.893 2.590 1.00 73.13 H new ATOM 0 HA VAL A 24 11.589 -7.717 2.543 1.00 24.34 H new ATOM 0 HB VAL A 24 13.456 -7.004 4.846 1.00 42.50 H new ATOM 0 HG11 VAL A 24 12.221 -8.723 6.100 1.00 32.03 H new ATOM 0 HG12 VAL A 24 11.165 -7.379 5.607 1.00 32.03 H new ATOM 0 HG13 VAL A 24 11.110 -8.924 4.725 1.00 32.03 H new ATOM 0 HG21 VAL A 24 14.166 -9.358 4.709 1.00 30.43 H new ATOM 0 HG22 VAL A 24 13.132 -9.582 3.278 1.00 30.43 H new ATOM 0 HG23 VAL A 24 14.522 -8.473 3.207 1.00 30.43 H new ATOM 379 N VAL A 25 10.031 -5.958 3.325 1.00 61.14 N ATOM 380 CA VAL A 25 9.086 -4.933 3.747 1.00 14.42 C ATOM 381 C VAL A 25 8.099 -5.483 4.771 1.00 73.14 C ATOM 382 O VAL A 25 7.724 -6.655 4.721 1.00 31.31 O ATOM 383 CB VAL A 25 8.302 -4.364 2.549 1.00 0.12 C ATOM 384 CG1 VAL A 25 7.448 -5.446 1.906 1.00 24.00 C ATOM 385 CG2 VAL A 25 7.444 -3.185 2.986 1.00 42.32 C ATOM 0 H VAL A 25 9.610 -6.736 2.818 1.00 61.14 H new ATOM 0 HA VAL A 25 9.670 -4.133 4.202 1.00 14.42 H new ATOM 0 HB VAL A 25 9.016 -4.009 1.805 1.00 0.12 H new ATOM 0 HG11 VAL A 25 6.902 -5.025 1.062 1.00 24.00 H new ATOM 0 HG12 VAL A 25 8.089 -6.255 1.556 1.00 24.00 H new ATOM 0 HG13 VAL A 25 6.740 -5.834 2.639 1.00 24.00 H new ATOM 0 HG21 VAL A 25 6.897 -2.795 2.128 1.00 42.32 H new ATOM 0 HG22 VAL A 25 6.737 -3.512 3.749 1.00 42.32 H new ATOM 0 HG23 VAL A 25 8.083 -2.402 3.395 1.00 42.32 H new ATOM 395 N THR A 26 7.678 -4.628 5.699 1.00 50.01 N ATOM 396 CA THR A 26 6.735 -5.028 6.735 1.00 53.05 C ATOM 397 C THR A 26 5.799 -3.882 7.099 1.00 1.45 C ATOM 398 O THR A 26 6.008 -2.741 6.685 1.00 62.23 O ATOM 399 CB THR A 26 7.464 -5.504 8.005 1.00 1.12 C ATOM 400 OG1 THR A 26 8.721 -4.828 8.131 1.00 73.53 O ATOM 401 CG2 THR A 26 7.693 -7.008 7.968 1.00 51.24 C ATOM 0 H THR A 26 7.976 -3.654 5.753 1.00 50.01 H new ATOM 0 HA THR A 26 6.152 -5.854 6.329 1.00 53.05 H new ATOM 0 HB THR A 26 6.837 -5.270 8.865 1.00 1.12 H new ATOM 0 HG1 THR A 26 8.672 -3.960 7.679 1.00 73.53 H new ATOM 0 HG21 THR A 26 8.209 -7.320 8.876 1.00 51.24 H new ATOM 0 HG22 THR A 26 6.733 -7.521 7.902 1.00 51.24 H new ATOM 0 HG23 THR A 26 8.301 -7.262 7.099 1.00 51.24 H new ATOM 409 N ALA A 27 4.767 -4.190 7.877 1.00 40.11 N ATOM 410 CA ALA A 27 3.801 -3.184 8.299 1.00 74.34 C ATOM 411 C ALA A 27 4.486 -2.038 9.034 1.00 24.35 C ATOM 412 O ALA A 27 3.980 -0.916 9.067 1.00 74.41 O ATOM 413 CB ALA A 27 2.732 -3.815 9.180 1.00 23.22 C ATOM 0 H ALA A 27 4.578 -5.129 8.228 1.00 40.11 H new ATOM 0 HA ALA A 27 3.327 -2.776 7.407 1.00 74.34 H new ATOM 0 HB1 ALA A 27 2.017 -3.052 9.488 1.00 23.22 H new ATOM 0 HB2 ALA A 27 2.213 -4.594 8.621 1.00 23.22 H new ATOM 0 HB3 ALA A 27 3.199 -4.252 10.063 1.00 23.22 H new ATOM 419 N ASP A 28 5.641 -2.328 9.625 1.00 50.41 N ATOM 420 CA ASP A 28 6.397 -1.321 10.361 1.00 42.22 C ATOM 421 C ASP A 28 7.254 -0.486 9.414 1.00 2.02 C ATOM 422 O ASP A 28 7.674 0.621 9.753 1.00 14.21 O ATOM 423 CB ASP A 28 7.282 -1.987 11.415 1.00 2.13 C ATOM 424 CG ASP A 28 7.698 -1.026 12.512 1.00 25.20 C ATOM 425 OD1 ASP A 28 6.879 -0.771 13.418 1.00 24.13 O ATOM 426 OD2 ASP A 28 8.844 -0.530 12.463 1.00 55.41 O ATOM 0 H ASP A 28 6.073 -3.252 9.609 1.00 50.41 H new ATOM 0 HA ASP A 28 5.687 -0.660 10.858 1.00 42.22 H new ATOM 0 HB2 ASP A 28 6.747 -2.828 11.856 1.00 2.13 H new ATOM 0 HB3 ASP A 28 8.172 -2.393 10.934 1.00 2.13 H new ATOM 431 N SER A 29 7.510 -1.024 8.226 1.00 43.52 N ATOM 432 CA SER A 29 8.321 -0.330 7.231 1.00 21.34 C ATOM 433 C SER A 29 7.546 0.830 6.613 1.00 45.13 C ATOM 434 O SER A 29 6.470 0.639 6.047 1.00 30.24 O ATOM 435 CB SER A 29 8.767 -1.302 6.137 1.00 13.43 C ATOM 436 OG SER A 29 9.327 -2.477 6.697 1.00 40.44 O ATOM 0 H SER A 29 7.168 -1.938 7.929 1.00 43.52 H new ATOM 0 HA SER A 29 9.203 0.070 7.731 1.00 21.34 H new ATOM 0 HB2 SER A 29 7.915 -1.565 5.510 1.00 13.43 H new ATOM 0 HB3 SER A 29 9.500 -0.817 5.492 1.00 13.43 H new ATOM 0 HG SER A 29 9.880 -2.928 6.025 1.00 40.44 H new ATOM 442 N GLU A 30 8.103 2.032 6.724 1.00 62.24 N ATOM 443 CA GLU A 30 7.465 3.222 6.176 1.00 12.52 C ATOM 444 C GLU A 30 7.842 3.418 4.710 1.00 62.44 C ATOM 445 O GLU A 30 8.988 3.194 4.318 1.00 41.23 O ATOM 446 CB GLU A 30 7.862 4.459 6.985 1.00 2.20 C ATOM 447 CG GLU A 30 7.622 4.313 8.478 1.00 11.43 C ATOM 448 CD GLU A 30 8.911 4.247 9.272 1.00 33.11 C ATOM 449 OE1 GLU A 30 9.433 5.319 9.647 1.00 72.32 O ATOM 450 OE2 GLU A 30 9.399 3.125 9.520 1.00 45.21 O ATOM 0 H GLU A 30 8.994 2.207 7.188 1.00 62.24 H new ATOM 0 HA GLU A 30 6.386 3.085 6.240 1.00 12.52 H new ATOM 0 HB2 GLU A 30 8.917 4.671 6.814 1.00 2.20 H new ATOM 0 HB3 GLU A 30 7.301 5.318 6.618 1.00 2.20 H new ATOM 0 HG2 GLU A 30 7.025 5.154 8.830 1.00 11.43 H new ATOM 0 HG3 GLU A 30 7.040 3.410 8.662 1.00 11.43 H new ATOM 457 N PHE A 31 6.871 3.834 3.906 1.00 54.04 N ATOM 458 CA PHE A 31 7.099 4.057 2.483 1.00 72.15 C ATOM 459 C PHE A 31 8.303 4.967 2.261 1.00 12.32 C ATOM 460 O PHE A 31 9.042 4.810 1.290 1.00 3.42 O ATOM 461 CB PHE A 31 5.855 4.670 1.835 1.00 45.45 C ATOM 462 CG PHE A 31 4.653 3.770 1.875 1.00 45.21 C ATOM 463 CD1 PHE A 31 4.518 2.733 0.967 1.00 73.33 C ATOM 464 CD2 PHE A 31 3.659 3.962 2.820 1.00 15.44 C ATOM 465 CE1 PHE A 31 3.412 1.903 1.001 1.00 24.22 C ATOM 466 CE2 PHE A 31 2.552 3.137 2.860 1.00 64.32 C ATOM 467 CZ PHE A 31 2.428 2.106 1.948 1.00 73.21 C ATOM 0 H PHE A 31 5.918 4.024 4.215 1.00 54.04 H new ATOM 0 HA PHE A 31 7.304 3.093 2.018 1.00 72.15 H new ATOM 0 HB2 PHE A 31 5.615 5.606 2.340 1.00 45.45 H new ATOM 0 HB3 PHE A 31 6.080 4.917 0.797 1.00 45.45 H new ATOM 0 HD1 PHE A 31 5.285 2.571 0.224 1.00 73.33 H new ATOM 0 HD2 PHE A 31 3.751 4.767 3.534 1.00 15.44 H new ATOM 0 HE1 PHE A 31 3.318 1.097 0.288 1.00 24.22 H new ATOM 0 HE2 PHE A 31 1.785 3.297 3.603 1.00 64.32 H new ATOM 0 HZ PHE A 31 1.563 1.460 1.976 1.00 73.21 H new ATOM 477 N SER A 32 8.492 5.918 3.169 1.00 10.44 N ATOM 478 CA SER A 32 9.603 6.858 3.071 1.00 30.55 C ATOM 479 C SER A 32 10.933 6.155 3.327 1.00 43.03 C ATOM 480 O SER A 32 11.931 6.426 2.658 1.00 30.32 O ATOM 481 CB SER A 32 9.420 8.003 4.069 1.00 33.34 C ATOM 482 OG SER A 32 10.137 9.155 3.661 1.00 73.10 O ATOM 0 H SER A 32 7.891 6.059 3.981 1.00 10.44 H new ATOM 0 HA SER A 32 9.614 7.265 2.060 1.00 30.55 H new ATOM 0 HB2 SER A 32 8.361 8.244 4.161 1.00 33.34 H new ATOM 0 HB3 SER A 32 9.762 7.688 5.055 1.00 33.34 H new ATOM 0 HG SER A 32 10.002 9.873 4.315 1.00 73.10 H new ATOM 488 N LYS A 33 10.939 5.248 4.298 1.00 1.14 N ATOM 489 CA LYS A 33 12.144 4.503 4.643 1.00 11.53 C ATOM 490 C LYS A 33 12.462 3.459 3.576 1.00 32.44 C ATOM 491 O LYS A 33 13.626 3.134 3.339 1.00 52.11 O ATOM 492 CB LYS A 33 11.977 3.824 6.004 1.00 3.15 C ATOM 493 CG LYS A 33 12.491 4.656 7.166 1.00 10.03 C ATOM 494 CD LYS A 33 13.938 4.326 7.492 1.00 41.42 C ATOM 495 CE LYS A 33 14.209 4.422 8.984 1.00 33.34 C ATOM 496 NZ LYS A 33 14.128 3.091 9.649 1.00 0.32 N ATOM 0 H LYS A 33 10.122 5.011 4.861 1.00 1.14 H new ATOM 0 HA LYS A 33 12.974 5.207 4.696 1.00 11.53 H new ATOM 0 HB2 LYS A 33 10.921 3.605 6.164 1.00 3.15 H new ATOM 0 HB3 LYS A 33 12.503 2.869 5.991 1.00 3.15 H new ATOM 0 HG2 LYS A 33 12.404 5.715 6.923 1.00 10.03 H new ATOM 0 HG3 LYS A 33 11.870 4.479 8.044 1.00 10.03 H new ATOM 0 HD2 LYS A 33 14.170 3.320 7.143 1.00 41.42 H new ATOM 0 HD3 LYS A 33 14.597 5.009 6.957 1.00 41.42 H new ATOM 0 HE2 LYS A 33 15.198 4.850 9.147 1.00 33.34 H new ATOM 0 HE3 LYS A 33 13.489 5.101 9.441 1.00 33.34 H new ATOM 0 HZ1 LYS A 33 14.319 3.199 10.666 1.00 0.32 H new ATOM 0 HZ2 LYS A 33 13.176 2.694 9.516 1.00 0.32 H new ATOM 0 HZ3 LYS A 33 14.832 2.450 9.231 1.00 0.32 H new ATOM 510 N LEU A 34 11.421 2.939 2.936 1.00 33.52 N ATOM 511 CA LEU A 34 11.588 1.932 1.894 1.00 33.44 C ATOM 512 C LEU A 34 12.240 2.536 0.655 1.00 44.31 C ATOM 513 O LEU A 34 12.815 1.823 -0.167 1.00 23.52 O ATOM 514 CB LEU A 34 10.235 1.320 1.527 1.00 0.24 C ATOM 515 CG LEU A 34 9.571 0.464 2.606 1.00 55.31 C ATOM 516 CD1 LEU A 34 8.274 -0.138 2.085 1.00 32.14 C ATOM 517 CD2 LEU A 34 10.516 -0.629 3.077 1.00 25.34 C ATOM 0 H LEU A 34 10.452 3.198 3.120 1.00 33.52 H new ATOM 0 HA LEU A 34 12.240 1.149 2.280 1.00 33.44 H new ATOM 0 HB2 LEU A 34 9.553 2.128 1.262 1.00 0.24 H new ATOM 0 HB3 LEU A 34 10.366 0.708 0.635 1.00 0.24 H new ATOM 0 HG LEU A 34 9.336 1.104 3.457 1.00 55.31 H new ATOM 0 HD11 LEU A 34 7.815 -0.744 2.866 1.00 32.14 H new ATOM 0 HD12 LEU A 34 7.591 0.662 1.798 1.00 32.14 H new ATOM 0 HD13 LEU A 34 8.486 -0.763 1.218 1.00 32.14 H new ATOM 0 HD21 LEU A 34 10.026 -1.228 3.845 1.00 25.34 H new ATOM 0 HD22 LEU A 34 10.783 -1.267 2.235 1.00 25.34 H new ATOM 0 HD23 LEU A 34 11.418 -0.177 3.490 1.00 25.34 H new ATOM 529 N GLY A 35 12.148 3.856 0.527 1.00 15.31 N ATOM 530 CA GLY A 35 12.735 4.533 -0.615 1.00 2.34 C ATOM 531 C GLY A 35 11.689 5.101 -1.553 1.00 13.34 C ATOM 532 O GLY A 35 11.991 5.950 -2.391 1.00 4.14 O ATOM 0 H GLY A 35 11.678 4.469 1.193 1.00 15.31 H new ATOM 0 HA2 GLY A 35 13.380 5.339 -0.264 1.00 2.34 H new ATOM 0 HA3 GLY A 35 13.368 3.834 -1.162 1.00 2.34 H new ATOM 536 N ALA A 36 10.454 4.632 -1.413 1.00 53.40 N ATOM 537 CA ALA A 36 9.358 5.099 -2.255 1.00 22.15 C ATOM 538 C ALA A 36 9.278 6.622 -2.256 1.00 63.12 C ATOM 539 O ALA A 36 8.920 7.235 -1.251 1.00 13.50 O ATOM 540 CB ALA A 36 8.041 4.500 -1.787 1.00 75.21 C ATOM 0 H ALA A 36 10.186 3.929 -0.724 1.00 53.40 H new ATOM 0 HA ALA A 36 9.551 4.770 -3.276 1.00 22.15 H new ATOM 0 HB1 ALA A 36 7.232 4.857 -2.424 1.00 75.21 H new ATOM 0 HB2 ALA A 36 8.095 3.413 -1.844 1.00 75.21 H new ATOM 0 HB3 ALA A 36 7.851 4.800 -0.757 1.00 75.21 H new ATOM 546 N ASP A 37 9.617 7.225 -3.390 1.00 55.20 N ATOM 547 CA ASP A 37 9.583 8.677 -3.522 1.00 53.55 C ATOM 548 C ASP A 37 8.180 9.158 -3.882 1.00 32.34 C ATOM 549 O ASP A 37 7.220 8.389 -3.839 1.00 73.14 O ATOM 550 CB ASP A 37 10.580 9.137 -4.587 1.00 11.23 C ATOM 551 CG ASP A 37 11.942 8.495 -4.420 1.00 22.35 C ATOM 552 OD1 ASP A 37 12.536 8.637 -3.330 1.00 34.43 O ATOM 553 OD2 ASP A 37 12.417 7.850 -5.377 1.00 44.33 O ATOM 0 H ASP A 37 9.918 6.732 -4.230 1.00 55.20 H new ATOM 0 HA ASP A 37 9.862 9.110 -2.561 1.00 53.55 H new ATOM 0 HB2 ASP A 37 10.188 8.898 -5.575 1.00 11.23 H new ATOM 0 HB3 ASP A 37 10.684 10.221 -4.539 1.00 11.23 H new ATOM 558 N SER A 38 8.069 10.435 -4.234 1.00 20.35 N ATOM 559 CA SER A 38 6.782 11.020 -4.594 1.00 23.32 C ATOM 560 C SER A 38 6.250 10.405 -5.885 1.00 22.30 C ATOM 561 O SER A 38 5.039 10.293 -6.080 1.00 11.43 O ATOM 562 CB SER A 38 6.915 12.535 -4.754 1.00 54.41 C ATOM 563 OG SER A 38 5.714 13.102 -5.249 1.00 14.12 O ATOM 0 H SER A 38 8.854 11.084 -4.278 1.00 20.35 H new ATOM 0 HA SER A 38 6.075 10.807 -3.792 1.00 23.32 H new ATOM 0 HB2 SER A 38 7.164 12.985 -3.793 1.00 54.41 H new ATOM 0 HB3 SER A 38 7.736 12.762 -5.435 1.00 54.41 H new ATOM 0 HG SER A 38 5.824 14.071 -5.341 1.00 14.12 H new ATOM 569 N LEU A 39 7.163 10.007 -6.764 1.00 4.04 N ATOM 570 CA LEU A 39 6.787 9.404 -8.038 1.00 4.11 C ATOM 571 C LEU A 39 6.429 7.932 -7.858 1.00 54.53 C ATOM 572 O LEU A 39 5.658 7.371 -8.638 1.00 13.12 O ATOM 573 CB LEU A 39 7.928 9.543 -9.047 1.00 10.00 C ATOM 574 CG LEU A 39 8.432 10.964 -9.299 1.00 13.23 C ATOM 575 CD1 LEU A 39 9.546 11.316 -8.324 1.00 42.24 C ATOM 576 CD2 LEU A 39 8.911 11.114 -10.736 1.00 31.53 C ATOM 0 H LEU A 39 8.169 10.091 -6.618 1.00 4.04 H new ATOM 0 HA LEU A 39 5.910 9.929 -8.416 1.00 4.11 H new ATOM 0 HB2 LEU A 39 8.766 8.937 -8.703 1.00 10.00 H new ATOM 0 HB3 LEU A 39 7.599 9.122 -9.997 1.00 10.00 H new ATOM 0 HG LEU A 39 7.605 11.656 -9.139 1.00 13.23 H new ATOM 0 HD11 LEU A 39 9.892 12.331 -8.518 1.00 42.24 H new ATOM 0 HD12 LEU A 39 9.170 11.250 -7.303 1.00 42.24 H new ATOM 0 HD13 LEU A 39 10.375 10.619 -8.451 1.00 42.24 H new ATOM 0 HD21 LEU A 39 9.266 12.132 -10.897 1.00 31.53 H new ATOM 0 HD22 LEU A 39 9.724 10.412 -10.924 1.00 31.53 H new ATOM 0 HD23 LEU A 39 8.087 10.905 -11.418 1.00 31.53 H new ATOM 588 N ASP A 40 6.990 7.314 -6.825 1.00 71.41 N ATOM 589 CA ASP A 40 6.726 5.908 -6.540 1.00 24.51 C ATOM 590 C ASP A 40 5.412 5.744 -5.784 1.00 74.31 C ATOM 591 O ASP A 40 4.543 4.969 -6.187 1.00 63.20 O ATOM 592 CB ASP A 40 7.875 5.307 -5.729 1.00 33.41 C ATOM 593 CG ASP A 40 9.059 4.925 -6.595 1.00 64.34 C ATOM 594 OD1 ASP A 40 8.871 4.129 -7.540 1.00 24.45 O ATOM 595 OD2 ASP A 40 10.173 5.422 -6.329 1.00 40.53 O ATOM 0 H ASP A 40 7.630 7.764 -6.171 1.00 71.41 H new ATOM 0 HA ASP A 40 6.645 5.378 -7.489 1.00 24.51 H new ATOM 0 HB2 ASP A 40 8.197 6.025 -4.975 1.00 33.41 H new ATOM 0 HB3 ASP A 40 7.518 4.425 -5.198 1.00 33.41 H new ATOM 600 N THR A 41 5.272 6.476 -4.684 1.00 14.15 N ATOM 601 CA THR A 41 4.065 6.411 -3.870 1.00 62.23 C ATOM 602 C THR A 41 2.814 6.520 -4.733 1.00 73.21 C ATOM 603 O THR A 41 1.909 5.690 -4.640 1.00 74.43 O ATOM 604 CB THR A 41 4.042 7.526 -2.809 1.00 34.42 C ATOM 605 OG1 THR A 41 5.246 7.492 -2.034 1.00 64.53 O ATOM 606 CG2 THR A 41 2.838 7.375 -1.890 1.00 71.12 C ATOM 0 H THR A 41 5.981 7.122 -4.336 1.00 14.15 H new ATOM 0 HA THR A 41 4.074 5.443 -3.368 1.00 62.23 H new ATOM 0 HB THR A 41 3.969 8.484 -3.324 1.00 34.42 H new ATOM 0 HG1 THR A 41 5.981 7.879 -2.554 1.00 64.53 H new ATOM 0 HG21 THR A 41 2.844 8.174 -1.149 1.00 71.12 H new ATOM 0 HG22 THR A 41 1.922 7.432 -2.478 1.00 71.12 H new ATOM 0 HG23 THR A 41 2.885 6.411 -1.384 1.00 71.12 H new ATOM 614 N VAL A 42 2.768 7.548 -5.574 1.00 14.03 N ATOM 615 CA VAL A 42 1.627 7.765 -6.456 1.00 14.11 C ATOM 616 C VAL A 42 1.308 6.510 -7.260 1.00 53.12 C ATOM 617 O VAL A 42 0.145 6.216 -7.535 1.00 70.12 O ATOM 618 CB VAL A 42 1.882 8.933 -7.426 1.00 53.31 C ATOM 619 CG1 VAL A 42 3.132 8.676 -8.254 1.00 12.42 C ATOM 620 CG2 VAL A 42 0.674 9.153 -8.324 1.00 75.24 C ATOM 0 H VAL A 42 3.508 8.244 -5.663 1.00 14.03 H new ATOM 0 HA VAL A 42 0.777 8.011 -5.820 1.00 14.11 H new ATOM 0 HB VAL A 42 2.042 9.839 -6.842 1.00 53.31 H new ATOM 0 HG11 VAL A 42 3.296 9.512 -8.934 1.00 12.42 H new ATOM 0 HG12 VAL A 42 3.992 8.572 -7.592 1.00 12.42 H new ATOM 0 HG13 VAL A 42 3.005 7.759 -8.830 1.00 12.42 H new ATOM 0 HG21 VAL A 42 0.872 9.982 -9.003 1.00 75.24 H new ATOM 0 HG22 VAL A 42 0.481 8.249 -8.902 1.00 75.24 H new ATOM 0 HG23 VAL A 42 -0.197 9.385 -7.712 1.00 75.24 H new ATOM 630 N GLU A 43 2.349 5.774 -7.635 1.00 63.40 N ATOM 631 CA GLU A 43 2.180 4.549 -8.409 1.00 54.30 C ATOM 632 C GLU A 43 1.645 3.421 -7.532 1.00 44.12 C ATOM 633 O GLU A 43 0.949 2.526 -8.011 1.00 63.32 O ATOM 634 CB GLU A 43 3.509 4.132 -9.043 1.00 74.01 C ATOM 635 CG GLU A 43 3.616 4.486 -10.518 1.00 61.50 C ATOM 636 CD GLU A 43 5.049 4.481 -11.015 1.00 32.42 C ATOM 637 OE1 GLU A 43 5.969 4.531 -10.171 1.00 54.22 O ATOM 638 OE2 GLU A 43 5.250 4.429 -12.246 1.00 12.02 O ATOM 0 H GLU A 43 3.318 6.004 -7.416 1.00 63.40 H new ATOM 0 HA GLU A 43 1.456 4.746 -9.199 1.00 54.30 H new ATOM 0 HB2 GLU A 43 4.326 4.610 -8.503 1.00 74.01 H new ATOM 0 HB3 GLU A 43 3.636 3.056 -8.926 1.00 74.01 H new ATOM 0 HG2 GLU A 43 3.030 3.776 -11.102 1.00 61.50 H new ATOM 0 HG3 GLU A 43 3.181 5.471 -10.684 1.00 61.50 H new ATOM 645 N ILE A 44 1.977 3.472 -6.246 1.00 63.44 N ATOM 646 CA ILE A 44 1.531 2.454 -5.303 1.00 2.04 C ATOM 647 C ILE A 44 0.009 2.408 -5.223 1.00 21.44 C ATOM 648 O ILE A 44 -0.586 1.335 -5.118 1.00 23.01 O ATOM 649 CB ILE A 44 2.101 2.705 -3.894 1.00 32.40 C ATOM 650 CG1 ILE A 44 3.624 2.836 -3.951 1.00 43.44 C ATOM 651 CG2 ILE A 44 1.697 1.581 -2.951 1.00 61.24 C ATOM 652 CD1 ILE A 44 4.295 1.742 -4.752 1.00 11.13 C ATOM 0 H ILE A 44 2.552 4.206 -5.834 1.00 63.44 H new ATOM 0 HA ILE A 44 1.902 1.497 -5.671 1.00 2.04 H new ATOM 0 HB ILE A 44 1.689 3.639 -3.514 1.00 32.40 H new ATOM 0 HG12 ILE A 44 3.881 3.802 -4.384 1.00 43.44 H new ATOM 0 HG13 ILE A 44 4.020 2.826 -2.935 1.00 43.44 H new ATOM 0 HG21 ILE A 44 2.107 1.773 -1.960 1.00 61.24 H new ATOM 0 HG22 ILE A 44 0.610 1.530 -2.890 1.00 61.24 H new ATOM 0 HG23 ILE A 44 2.084 0.634 -3.327 1.00 61.24 H new ATOM 0 HD11 ILE A 44 5.374 1.899 -4.749 1.00 11.13 H new ATOM 0 HD12 ILE A 44 4.068 0.773 -4.307 1.00 11.13 H new ATOM 0 HD13 ILE A 44 3.928 1.765 -5.778 1.00 11.13 H new ATOM 664 N VAL A 45 -0.616 3.580 -5.274 1.00 43.03 N ATOM 665 CA VAL A 45 -2.070 3.674 -5.210 1.00 62.14 C ATOM 666 C VAL A 45 -2.708 3.208 -6.514 1.00 53.10 C ATOM 667 O VAL A 45 -3.799 2.638 -6.514 1.00 1.35 O ATOM 668 CB VAL A 45 -2.526 5.115 -4.913 1.00 41.12 C ATOM 669 CG1 VAL A 45 -4.026 5.159 -4.662 1.00 31.14 C ATOM 670 CG2 VAL A 45 -1.760 5.683 -3.728 1.00 72.03 C ATOM 0 H VAL A 45 -0.139 4.477 -5.359 1.00 43.03 H new ATOM 0 HA VAL A 45 -2.395 3.024 -4.398 1.00 62.14 H new ATOM 0 HB VAL A 45 -2.310 5.733 -5.784 1.00 41.12 H new ATOM 0 HG11 VAL A 45 -4.330 6.185 -4.454 1.00 31.14 H new ATOM 0 HG12 VAL A 45 -4.553 4.796 -5.544 1.00 31.14 H new ATOM 0 HG13 VAL A 45 -4.271 4.528 -3.808 1.00 31.14 H new ATOM 0 HG21 VAL A 45 -2.095 6.702 -3.533 1.00 72.03 H new ATOM 0 HG22 VAL A 45 -1.942 5.066 -2.848 1.00 72.03 H new ATOM 0 HG23 VAL A 45 -0.694 5.689 -3.953 1.00 72.03 H new ATOM 680 N MET A 46 -2.021 3.455 -7.624 1.00 62.43 N ATOM 681 CA MET A 46 -2.520 3.058 -8.935 1.00 10.51 C ATOM 682 C MET A 46 -2.553 1.539 -9.069 1.00 63.42 C ATOM 683 O MET A 46 -3.570 0.962 -9.451 1.00 42.32 O ATOM 684 CB MET A 46 -1.649 3.660 -10.040 1.00 23.40 C ATOM 685 CG MET A 46 -2.397 3.899 -11.342 1.00 1.21 C ATOM 686 SD MET A 46 -1.358 4.641 -12.614 1.00 1.32 S ATOM 687 CE MET A 46 -0.795 6.119 -11.772 1.00 71.10 C ATOM 0 H MET A 46 -1.117 3.928 -7.642 1.00 62.43 H new ATOM 0 HA MET A 46 -3.537 3.436 -9.037 1.00 10.51 H new ATOM 0 HB2 MET A 46 -1.235 4.605 -9.690 1.00 23.40 H new ATOM 0 HB3 MET A 46 -0.807 2.994 -10.231 1.00 23.40 H new ATOM 0 HG2 MET A 46 -2.792 2.952 -11.708 1.00 1.21 H new ATOM 0 HG3 MET A 46 -3.251 4.549 -11.152 1.00 1.21 H new ATOM 0 HE1 MET A 46 -0.652 6.919 -12.498 1.00 71.10 H new ATOM 0 HE2 MET A 46 -1.539 6.425 -11.037 1.00 71.10 H new ATOM 0 HE3 MET A 46 0.149 5.913 -11.268 1.00 71.10 H new ATOM 697 N ASN A 47 -1.433 0.897 -8.752 1.00 34.44 N ATOM 698 CA ASN A 47 -1.334 -0.555 -8.836 1.00 51.21 C ATOM 699 C ASN A 47 -2.338 -1.225 -7.902 1.00 2.11 C ATOM 700 O ASN A 47 -3.036 -2.162 -8.291 1.00 51.41 O ATOM 701 CB ASN A 47 0.085 -1.011 -8.490 1.00 61.05 C ATOM 702 CG ASN A 47 1.028 -0.911 -9.673 1.00 62.32 C ATOM 703 OD1 ASN A 47 1.540 -1.920 -10.161 1.00 53.03 O ATOM 704 ND2 ASN A 47 1.265 0.309 -10.140 1.00 52.32 N ATOM 0 H ASN A 47 -0.581 1.360 -8.435 1.00 34.44 H new ATOM 0 HA ASN A 47 -1.564 -0.851 -9.859 1.00 51.21 H new ATOM 0 HB2 ASN A 47 0.469 -0.404 -7.670 1.00 61.05 H new ATOM 0 HB3 ASN A 47 0.057 -2.042 -8.137 1.00 61.05 H new ATOM 0 HD21 ASN A 47 1.893 0.438 -10.934 1.00 52.32 H new ATOM 0 HD22 ASN A 47 0.819 1.117 -9.705 1.00 52.32 H new ATOM 711 N LEU A 48 -2.404 -0.738 -6.668 1.00 11.45 N ATOM 712 CA LEU A 48 -3.323 -1.288 -5.677 1.00 23.43 C ATOM 713 C LEU A 48 -4.771 -1.118 -6.124 1.00 64.11 C ATOM 714 O LEU A 48 -5.568 -2.054 -6.046 1.00 11.31 O ATOM 715 CB LEU A 48 -3.112 -0.607 -4.323 1.00 44.25 C ATOM 716 CG LEU A 48 -1.787 -0.907 -3.620 1.00 32.20 C ATOM 717 CD1 LEU A 48 -1.511 0.126 -2.539 1.00 24.21 C ATOM 718 CD2 LEU A 48 -1.804 -2.310 -3.028 1.00 13.44 C ATOM 0 H LEU A 48 -1.833 0.036 -6.330 1.00 11.45 H new ATOM 0 HA LEU A 48 -3.115 -2.353 -5.577 1.00 23.43 H new ATOM 0 HB2 LEU A 48 -3.189 0.471 -4.465 1.00 44.25 H new ATOM 0 HB3 LEU A 48 -3.926 -0.900 -3.660 1.00 44.25 H new ATOM 0 HG LEU A 48 -0.986 -0.854 -4.357 1.00 32.20 H new ATOM 0 HD11 LEU A 48 -0.564 -0.103 -2.050 1.00 24.21 H new ATOM 0 HD12 LEU A 48 -1.456 1.117 -2.989 1.00 24.21 H new ATOM 0 HD13 LEU A 48 -2.314 0.106 -1.803 1.00 24.21 H new ATOM 0 HD21 LEU A 48 -0.854 -2.507 -2.532 1.00 13.44 H new ATOM 0 HD22 LEU A 48 -2.615 -2.390 -2.304 1.00 13.44 H new ATOM 0 HD23 LEU A 48 -1.955 -3.039 -3.824 1.00 13.44 H new ATOM 730 N GLU A 49 -5.104 0.079 -6.594 1.00 51.20 N ATOM 731 CA GLU A 49 -6.456 0.370 -7.055 1.00 52.32 C ATOM 732 C GLU A 49 -6.893 -0.629 -8.123 1.00 11.12 C ATOM 733 O GLU A 49 -8.047 -1.056 -8.153 1.00 13.23 O ATOM 734 CB GLU A 49 -6.536 1.794 -7.610 1.00 1.22 C ATOM 735 CG GLU A 49 -6.709 2.856 -6.537 1.00 71.53 C ATOM 736 CD GLU A 49 -6.541 4.263 -7.077 1.00 14.12 C ATOM 737 OE1 GLU A 49 -6.458 4.417 -8.312 1.00 44.34 O ATOM 738 OE2 GLU A 49 -6.495 5.209 -6.263 1.00 2.33 O ATOM 0 H GLU A 49 -4.456 0.863 -6.666 1.00 51.20 H new ATOM 0 HA GLU A 49 -7.129 0.283 -6.202 1.00 52.32 H new ATOM 0 HB2 GLU A 49 -5.629 2.006 -8.176 1.00 1.22 H new ATOM 0 HB3 GLU A 49 -7.370 1.856 -8.309 1.00 1.22 H new ATOM 0 HG2 GLU A 49 -7.698 2.758 -6.090 1.00 71.53 H new ATOM 0 HG3 GLU A 49 -5.982 2.686 -5.743 1.00 71.53 H new ATOM 745 N GLU A 50 -5.962 -0.994 -8.999 1.00 75.12 N ATOM 746 CA GLU A 50 -6.252 -1.941 -10.070 1.00 71.23 C ATOM 747 C GLU A 50 -6.343 -3.365 -9.528 1.00 4.13 C ATOM 748 O GLU A 50 -7.047 -4.206 -10.082 1.00 61.34 O ATOM 749 CB GLU A 50 -5.176 -1.864 -11.154 1.00 2.35 C ATOM 750 CG GLU A 50 -5.573 -2.537 -12.457 1.00 72.53 C ATOM 751 CD GLU A 50 -4.474 -2.488 -13.499 1.00 13.34 C ATOM 752 OE1 GLU A 50 -3.423 -3.128 -13.284 1.00 34.34 O ATOM 753 OE2 GLU A 50 -4.663 -1.808 -14.530 1.00 60.25 O ATOM 0 H GLU A 50 -5.002 -0.649 -8.988 1.00 75.12 H new ATOM 0 HA GLU A 50 -7.215 -1.674 -10.505 1.00 71.23 H new ATOM 0 HB2 GLU A 50 -4.946 -0.817 -11.351 1.00 2.35 H new ATOM 0 HB3 GLU A 50 -4.262 -2.326 -10.780 1.00 2.35 H new ATOM 0 HG2 GLU A 50 -5.834 -3.577 -12.259 1.00 72.53 H new ATOM 0 HG3 GLU A 50 -6.466 -2.054 -12.854 1.00 72.53 H new ATOM 760 N GLU A 51 -5.623 -3.625 -8.441 1.00 4.35 N ATOM 761 CA GLU A 51 -5.620 -4.946 -7.824 1.00 45.05 C ATOM 762 C GLU A 51 -6.929 -5.204 -7.085 1.00 54.02 C ATOM 763 O GLU A 51 -7.573 -6.235 -7.282 1.00 55.14 O ATOM 764 CB GLU A 51 -4.441 -5.081 -6.859 1.00 12.03 C ATOM 765 CG GLU A 51 -3.926 -6.503 -6.721 1.00 42.14 C ATOM 766 CD GLU A 51 -3.337 -7.038 -8.013 1.00 75.53 C ATOM 767 OE1 GLU A 51 -2.299 -6.505 -8.456 1.00 50.52 O ATOM 768 OE2 GLU A 51 -3.916 -7.989 -8.580 1.00 0.34 O ATOM 0 H GLU A 51 -5.034 -2.938 -7.970 1.00 4.35 H new ATOM 0 HA GLU A 51 -5.518 -5.688 -8.616 1.00 45.05 H new ATOM 0 HB2 GLU A 51 -3.628 -4.441 -7.201 1.00 12.03 H new ATOM 0 HB3 GLU A 51 -4.743 -4.716 -5.877 1.00 12.03 H new ATOM 0 HG2 GLU A 51 -3.168 -6.537 -5.939 1.00 42.14 H new ATOM 0 HG3 GLU A 51 -4.742 -7.152 -6.402 1.00 42.14 H new ATOM 775 N PHE A 52 -7.318 -4.260 -6.234 1.00 61.54 N ATOM 776 CA PHE A 52 -8.549 -4.386 -5.463 1.00 11.31 C ATOM 777 C PHE A 52 -9.712 -3.706 -6.181 1.00 43.51 C ATOM 778 O PHE A 52 -10.792 -3.539 -5.618 1.00 1.21 O ATOM 779 CB PHE A 52 -8.369 -3.776 -4.071 1.00 63.23 C ATOM 780 CG PHE A 52 -7.227 -4.373 -3.300 1.00 43.10 C ATOM 781 CD1 PHE A 52 -7.408 -5.519 -2.543 1.00 72.03 C ATOM 782 CD2 PHE A 52 -5.972 -3.787 -3.332 1.00 31.44 C ATOM 783 CE1 PHE A 52 -6.358 -6.069 -1.831 1.00 52.33 C ATOM 784 CE2 PHE A 52 -4.918 -4.333 -2.622 1.00 53.33 C ATOM 785 CZ PHE A 52 -5.112 -5.476 -1.872 1.00 62.14 C ATOM 0 H PHE A 52 -6.798 -3.400 -6.061 1.00 61.54 H new ATOM 0 HA PHE A 52 -8.777 -5.447 -5.361 1.00 11.31 H new ATOM 0 HB2 PHE A 52 -8.208 -2.703 -4.171 1.00 63.23 H new ATOM 0 HB3 PHE A 52 -9.290 -3.909 -3.503 1.00 63.23 H new ATOM 0 HD1 PHE A 52 -8.380 -5.988 -2.509 1.00 72.03 H new ATOM 0 HD2 PHE A 52 -5.815 -2.894 -3.918 1.00 31.44 H new ATOM 0 HE1 PHE A 52 -6.513 -6.962 -1.243 1.00 52.33 H new ATOM 0 HE2 PHE A 52 -3.945 -3.866 -2.654 1.00 53.33 H new ATOM 0 HZ PHE A 52 -4.290 -5.905 -1.318 1.00 62.14 H new ATOM 795 N GLY A 53 -9.480 -3.314 -7.431 1.00 3.24 N ATOM 796 CA GLY A 53 -10.515 -2.655 -8.207 1.00 32.22 C ATOM 797 C GLY A 53 -11.128 -1.478 -7.474 1.00 73.42 C ATOM 798 O GLY A 53 -12.291 -1.139 -7.695 1.00 62.44 O ATOM 0 H GLY A 53 -8.594 -3.441 -7.920 1.00 3.24 H new ATOM 0 HA2 GLY A 53 -10.093 -2.311 -9.152 1.00 32.22 H new ATOM 0 HA3 GLY A 53 -11.297 -3.375 -8.450 1.00 32.22 H new ATOM 802 N ILE A 54 -10.346 -0.855 -6.599 1.00 65.21 N ATOM 803 CA ILE A 54 -10.820 0.289 -5.831 1.00 5.33 C ATOM 804 C ILE A 54 -10.315 1.599 -6.428 1.00 61.31 C ATOM 805 O ILE A 54 -9.641 1.604 -7.457 1.00 54.14 O ATOM 806 CB ILE A 54 -10.373 0.204 -4.359 1.00 73.14 C ATOM 807 CG1 ILE A 54 -8.847 0.186 -4.267 1.00 23.53 C ATOM 808 CG2 ILE A 54 -10.964 -1.032 -3.698 1.00 75.22 C ATOM 809 CD1 ILE A 54 -8.324 0.385 -2.861 1.00 71.41 C ATOM 0 H ILE A 54 -9.381 -1.123 -6.404 1.00 65.21 H new ATOM 0 HA ILE A 54 -11.909 0.268 -5.874 1.00 5.33 H new ATOM 0 HB ILE A 54 -10.739 1.085 -3.831 1.00 73.14 H new ATOM 0 HG12 ILE A 54 -8.479 -0.765 -4.652 1.00 23.53 H new ATOM 0 HG13 ILE A 54 -8.443 0.968 -4.910 1.00 23.53 H new ATOM 0 HG21 ILE A 54 -10.640 -1.079 -2.658 1.00 75.22 H new ATOM 0 HG22 ILE A 54 -12.052 -0.980 -3.737 1.00 75.22 H new ATOM 0 HG23 ILE A 54 -10.624 -1.924 -4.225 1.00 75.22 H new ATOM 0 HD11 ILE A 54 -7.234 0.361 -2.871 1.00 71.41 H new ATOM 0 HD12 ILE A 54 -8.662 1.349 -2.480 1.00 71.41 H new ATOM 0 HD13 ILE A 54 -8.699 -0.411 -2.217 1.00 71.41 H new ATOM 821 N ASN A 55 -10.644 2.708 -5.773 1.00 61.41 N ATOM 822 CA ASN A 55 -10.223 4.024 -6.239 1.00 23.23 C ATOM 823 C ASN A 55 -10.070 4.991 -5.069 1.00 34.22 C ATOM 824 O ASN A 55 -11.030 5.269 -4.349 1.00 51.34 O ATOM 825 CB ASN A 55 -11.232 4.578 -7.246 1.00 32.34 C ATOM 826 CG ASN A 55 -12.596 4.816 -6.627 1.00 21.31 C ATOM 827 OD1 ASN A 55 -13.010 5.958 -6.431 1.00 13.51 O ATOM 828 ND2 ASN A 55 -13.301 3.735 -6.316 1.00 61.32 N ATOM 0 H ASN A 55 -11.201 2.721 -4.918 1.00 61.41 H new ATOM 0 HA ASN A 55 -9.255 3.917 -6.728 1.00 23.23 H new ATOM 0 HB2 ASN A 55 -10.854 5.514 -7.657 1.00 32.34 H new ATOM 0 HB3 ASN A 55 -11.330 3.881 -8.078 1.00 32.34 H new ATOM 0 HD21 ASN A 55 -14.226 3.832 -5.897 1.00 61.32 H new ATOM 0 HD22 ASN A 55 -12.918 2.807 -6.496 1.00 61.32 H new ATOM 835 N VAL A 56 -8.857 5.502 -4.885 1.00 13.24 N ATOM 836 CA VAL A 56 -8.579 6.440 -3.804 1.00 11.14 C ATOM 837 C VAL A 56 -7.814 7.656 -4.315 1.00 33.20 C ATOM 838 O VAL A 56 -7.033 7.558 -5.261 1.00 33.23 O ATOM 839 CB VAL A 56 -7.768 5.774 -2.677 1.00 30.20 C ATOM 840 CG1 VAL A 56 -7.618 6.719 -1.495 1.00 31.40 C ATOM 841 CG2 VAL A 56 -8.425 4.470 -2.248 1.00 32.13 C ATOM 0 H VAL A 56 -8.051 5.282 -5.470 1.00 13.24 H new ATOM 0 HA VAL A 56 -9.543 6.760 -3.407 1.00 11.14 H new ATOM 0 HB VAL A 56 -6.772 5.546 -3.056 1.00 30.20 H new ATOM 0 HG11 VAL A 56 -7.042 6.230 -0.709 1.00 31.40 H new ATOM 0 HG12 VAL A 56 -7.100 7.623 -1.815 1.00 31.40 H new ATOM 0 HG13 VAL A 56 -8.604 6.982 -1.112 1.00 31.40 H new ATOM 0 HG21 VAL A 56 -7.839 4.012 -1.451 1.00 32.13 H new ATOM 0 HG22 VAL A 56 -9.433 4.672 -1.887 1.00 32.13 H new ATOM 0 HG23 VAL A 56 -8.474 3.790 -3.099 1.00 32.13 H new ATOM 851 N ASP A 57 -8.044 8.802 -3.681 1.00 71.31 N ATOM 852 CA ASP A 57 -7.375 10.038 -4.071 1.00 33.41 C ATOM 853 C ASP A 57 -6.055 10.200 -3.323 1.00 22.51 C ATOM 854 O ASP A 57 -5.906 9.724 -2.198 1.00 71.23 O ATOM 855 CB ASP A 57 -8.280 11.240 -3.798 1.00 1.01 C ATOM 856 CG ASP A 57 -8.023 12.386 -4.755 1.00 11.31 C ATOM 857 OD1 ASP A 57 -8.311 12.229 -5.960 1.00 61.34 O ATOM 858 OD2 ASP A 57 -7.535 13.442 -4.301 1.00 65.41 O ATOM 0 H ASP A 57 -8.688 8.900 -2.896 1.00 71.31 H new ATOM 0 HA ASP A 57 -7.163 9.987 -5.139 1.00 33.41 H new ATOM 0 HB2 ASP A 57 -9.323 10.932 -3.877 1.00 1.01 H new ATOM 0 HB3 ASP A 57 -8.125 11.583 -2.775 1.00 1.01 H new ATOM 863 N GLU A 58 -5.100 10.872 -3.958 1.00 42.02 N ATOM 864 CA GLU A 58 -3.792 11.094 -3.353 1.00 44.02 C ATOM 865 C GLU A 58 -3.924 11.839 -2.027 1.00 44.24 C ATOM 866 O GLU A 58 -3.259 11.506 -1.047 1.00 41.21 O ATOM 867 CB GLU A 58 -2.892 11.883 -4.307 1.00 32.24 C ATOM 868 CG GLU A 58 -1.413 11.783 -3.971 1.00 30.42 C ATOM 869 CD GLU A 58 -0.844 10.404 -4.243 1.00 53.14 C ATOM 870 OE1 GLU A 58 -1.029 9.900 -5.371 1.00 71.21 O ATOM 871 OE2 GLU A 58 -0.215 9.829 -3.331 1.00 13.44 O ATOM 0 H GLU A 58 -5.207 11.272 -4.890 1.00 42.02 H new ATOM 0 HA GLU A 58 -3.340 10.121 -3.159 1.00 44.02 H new ATOM 0 HB2 GLU A 58 -3.050 11.523 -5.324 1.00 32.24 H new ATOM 0 HB3 GLU A 58 -3.190 12.931 -4.290 1.00 32.24 H new ATOM 0 HG2 GLU A 58 -0.861 12.521 -4.554 1.00 30.42 H new ATOM 0 HG3 GLU A 58 -1.266 12.032 -2.920 1.00 30.42 H new ATOM 878 N ASP A 59 -4.787 12.848 -2.008 1.00 14.24 N ATOM 879 CA ASP A 59 -5.008 13.642 -0.803 1.00 41.23 C ATOM 880 C ASP A 59 -5.425 12.753 0.363 1.00 21.42 C ATOM 881 O ASP A 59 -5.185 13.081 1.526 1.00 2.43 O ATOM 882 CB ASP A 59 -6.078 14.706 -1.057 1.00 64.13 C ATOM 883 CG ASP A 59 -5.904 15.923 -0.172 1.00 21.04 C ATOM 884 OD1 ASP A 59 -4.756 16.203 0.236 1.00 61.14 O ATOM 885 OD2 ASP A 59 -6.915 16.598 0.113 1.00 3.25 O ATOM 0 H ASP A 59 -5.345 13.136 -2.812 1.00 14.24 H new ATOM 0 HA ASP A 59 -4.071 14.135 -0.545 1.00 41.23 H new ATOM 0 HB2 ASP A 59 -6.041 15.012 -2.102 1.00 64.13 H new ATOM 0 HB3 ASP A 59 -7.064 14.274 -0.886 1.00 64.13 H new ATOM 890 N LYS A 60 -6.050 11.624 0.047 1.00 13.32 N ATOM 891 CA LYS A 60 -6.501 10.686 1.069 1.00 24.12 C ATOM 892 C LYS A 60 -5.352 9.797 1.536 1.00 11.42 C ATOM 893 O LYS A 60 -5.363 9.292 2.658 1.00 60.32 O ATOM 894 CB LYS A 60 -7.642 9.820 0.528 1.00 3.53 C ATOM 895 CG LYS A 60 -9.017 10.433 0.728 1.00 63.12 C ATOM 896 CD LYS A 60 -9.421 11.294 -0.456 1.00 53.31 C ATOM 897 CE LYS A 60 -10.838 11.826 -0.301 1.00 44.43 C ATOM 898 NZ LYS A 60 -11.847 10.894 -0.877 1.00 22.22 N ATOM 0 H LYS A 60 -6.256 11.336 -0.910 1.00 13.32 H new ATOM 0 HA LYS A 60 -6.862 11.262 1.921 1.00 24.12 H new ATOM 0 HB2 LYS A 60 -7.482 9.646 -0.536 1.00 3.53 H new ATOM 0 HB3 LYS A 60 -7.612 8.847 1.018 1.00 3.53 H new ATOM 0 HG2 LYS A 60 -9.752 9.641 0.871 1.00 63.12 H new ATOM 0 HG3 LYS A 60 -9.019 11.037 1.635 1.00 63.12 H new ATOM 0 HD2 LYS A 60 -8.727 12.128 -0.554 1.00 53.31 H new ATOM 0 HD3 LYS A 60 -9.349 10.710 -1.373 1.00 53.31 H new ATOM 0 HE2 LYS A 60 -11.052 11.985 0.756 1.00 44.43 H new ATOM 0 HE3 LYS A 60 -10.917 12.796 -0.792 1.00 44.43 H new ATOM 0 HZ1 LYS A 60 -12.799 11.293 -0.751 1.00 22.22 H new ATOM 0 HZ2 LYS A 60 -11.658 10.761 -1.891 1.00 22.22 H new ATOM 0 HZ3 LYS A 60 -11.789 9.976 -0.391 1.00 22.22 H new ATOM 912 N ALA A 61 -4.362 9.614 0.670 1.00 44.24 N ATOM 913 CA ALA A 61 -3.204 8.790 0.995 1.00 41.32 C ATOM 914 C ALA A 61 -2.051 9.643 1.511 1.00 72.42 C ATOM 915 O ALA A 61 -0.884 9.285 1.354 1.00 31.02 O ATOM 916 CB ALA A 61 -2.767 7.989 -0.223 1.00 62.44 C ATOM 0 H ALA A 61 -4.338 10.025 -0.263 1.00 44.24 H new ATOM 0 HA ALA A 61 -3.492 8.098 1.786 1.00 41.32 H new ATOM 0 HB1 ALA A 61 -1.901 7.378 0.034 1.00 62.44 H new ATOM 0 HB2 ALA A 61 -3.584 7.343 -0.546 1.00 62.44 H new ATOM 0 HB3 ALA A 61 -2.503 8.671 -1.031 1.00 62.44 H new ATOM 922 N GLN A 62 -2.386 10.772 2.127 1.00 33.54 N ATOM 923 CA GLN A 62 -1.376 11.677 2.666 1.00 73.04 C ATOM 924 C GLN A 62 -0.887 11.198 4.029 1.00 72.05 C ATOM 925 O GLN A 62 0.310 10.998 4.234 1.00 1.33 O ATOM 926 CB GLN A 62 -1.941 13.093 2.783 1.00 51.52 C ATOM 927 CG GLN A 62 -2.142 13.781 1.441 1.00 31.20 C ATOM 928 CD GLN A 62 -0.899 14.506 0.965 1.00 32.55 C ATOM 929 OE1 GLN A 62 -0.431 15.447 1.608 1.00 22.21 O ATOM 930 NE2 GLN A 62 -0.357 14.073 -0.167 1.00 22.03 N ATOM 0 H GLN A 62 -3.348 11.082 2.266 1.00 33.54 H new ATOM 0 HA GLN A 62 -0.529 11.686 1.980 1.00 73.04 H new ATOM 0 HB2 GLN A 62 -2.896 13.052 3.308 1.00 51.52 H new ATOM 0 HB3 GLN A 62 -1.267 13.695 3.393 1.00 51.52 H new ATOM 0 HG2 GLN A 62 -2.433 13.040 0.697 1.00 31.20 H new ATOM 0 HG3 GLN A 62 -2.964 14.492 1.521 1.00 31.20 H new ATOM 0 HE21 GLN A 62 -0.778 13.290 -0.667 1.00 22.03 H new ATOM 0 HE22 GLN A 62 0.480 14.523 -0.536 1.00 22.03 H new ATOM 939 N ASP A 63 -1.821 11.015 4.956 1.00 2.01 N ATOM 940 CA ASP A 63 -1.484 10.559 6.300 1.00 52.12 C ATOM 941 C ASP A 63 -0.754 9.221 6.252 1.00 64.32 C ATOM 942 O ASP A 63 0.002 8.883 7.164 1.00 42.04 O ATOM 943 CB ASP A 63 -2.750 10.433 7.150 1.00 41.12 C ATOM 944 CG ASP A 63 -3.592 11.694 7.126 1.00 44.44 C ATOM 945 OD1 ASP A 63 -4.372 11.867 6.166 1.00 72.44 O ATOM 946 OD2 ASP A 63 -3.469 12.508 8.064 1.00 13.00 O ATOM 0 H ASP A 63 -2.816 11.175 4.802 1.00 2.01 H new ATOM 0 HA ASP A 63 -0.823 11.297 6.753 1.00 52.12 H new ATOM 0 HB2 ASP A 63 -3.346 9.595 6.787 1.00 41.12 H new ATOM 0 HB3 ASP A 63 -2.472 10.205 8.179 1.00 41.12 H new ATOM 951 N ILE A 64 -0.985 8.464 5.185 1.00 3.11 N ATOM 952 CA ILE A 64 -0.348 7.163 5.019 1.00 15.22 C ATOM 953 C ILE A 64 1.163 7.264 5.198 1.00 74.22 C ATOM 954 O ILE A 64 1.847 7.929 4.420 1.00 23.41 O ATOM 955 CB ILE A 64 -0.651 6.561 3.634 1.00 24.35 C ATOM 956 CG1 ILE A 64 -2.161 6.453 3.420 1.00 74.04 C ATOM 957 CG2 ILE A 64 0.008 5.197 3.494 1.00 24.31 C ATOM 958 CD1 ILE A 64 -2.847 5.531 4.404 1.00 64.42 C ATOM 0 H ILE A 64 -1.608 8.729 4.422 1.00 3.11 H new ATOM 0 HA ILE A 64 -0.759 6.509 5.788 1.00 15.22 H new ATOM 0 HB ILE A 64 -0.241 7.221 2.870 1.00 24.35 H new ATOM 0 HG12 ILE A 64 -2.603 7.447 3.497 1.00 74.04 H new ATOM 0 HG13 ILE A 64 -2.352 6.097 2.408 1.00 74.04 H new ATOM 0 HG21 ILE A 64 -0.215 4.784 2.510 1.00 24.31 H new ATOM 0 HG22 ILE A 64 1.087 5.301 3.608 1.00 24.31 H new ATOM 0 HG23 ILE A 64 -0.375 4.527 4.264 1.00 24.31 H new ATOM 0 HD11 ILE A 64 -3.916 5.503 4.192 1.00 64.42 H new ATOM 0 HD12 ILE A 64 -2.433 4.527 4.312 1.00 64.42 H new ATOM 0 HD13 ILE A 64 -2.687 5.898 5.418 1.00 64.42 H new ATOM 970 N SER A 65 1.678 6.598 6.227 1.00 14.31 N ATOM 971 CA SER A 65 3.108 6.614 6.509 1.00 33.14 C ATOM 972 C SER A 65 3.700 5.213 6.392 1.00 64.11 C ATOM 973 O SER A 65 4.789 5.030 5.846 1.00 20.13 O ATOM 974 CB SER A 65 3.366 7.173 7.910 1.00 42.14 C ATOM 975 OG SER A 65 3.192 8.579 7.938 1.00 3.53 O ATOM 0 H SER A 65 1.126 6.041 6.879 1.00 14.31 H new ATOM 0 HA SER A 65 3.592 7.257 5.774 1.00 33.14 H new ATOM 0 HB2 SER A 65 2.687 6.705 8.622 1.00 42.14 H new ATOM 0 HB3 SER A 65 4.379 6.922 8.224 1.00 42.14 H new ATOM 0 HG SER A 65 2.271 8.800 7.686 1.00 3.53 H new ATOM 981 N THR A 66 2.975 4.225 6.908 1.00 42.12 N ATOM 982 CA THR A 66 3.428 2.841 6.862 1.00 24.40 C ATOM 983 C THR A 66 2.498 1.985 6.010 1.00 1.30 C ATOM 984 O THR A 66 1.381 2.396 5.691 1.00 61.14 O ATOM 985 CB THR A 66 3.515 2.232 8.274 1.00 23.33 C ATOM 986 OG1 THR A 66 2.200 1.984 8.784 1.00 2.23 O ATOM 987 CG2 THR A 66 4.264 3.160 9.219 1.00 14.15 C ATOM 0 H THR A 66 2.072 4.358 7.363 1.00 42.12 H new ATOM 0 HA THR A 66 4.422 2.849 6.414 1.00 24.40 H new ATOM 0 HB THR A 66 4.061 1.291 8.206 1.00 23.33 H new ATOM 0 HG1 THR A 66 2.265 1.595 9.681 1.00 2.23 H new ATOM 0 HG21 THR A 66 4.312 2.708 10.210 1.00 14.15 H new ATOM 0 HG22 THR A 66 5.275 3.322 8.844 1.00 14.15 H new ATOM 0 HG23 THR A 66 3.742 4.115 9.281 1.00 14.15 H new ATOM 995 N ILE A 67 2.964 0.796 5.644 1.00 4.43 N ATOM 996 CA ILE A 67 2.172 -0.117 4.829 1.00 22.15 C ATOM 997 C ILE A 67 0.791 -0.338 5.437 1.00 63.31 C ATOM 998 O ILE A 67 -0.222 -0.268 4.742 1.00 63.42 O ATOM 999 CB ILE A 67 2.874 -1.477 4.666 1.00 71.44 C ATOM 1000 CG1 ILE A 67 4.251 -1.293 4.025 1.00 32.54 C ATOM 1001 CG2 ILE A 67 2.018 -2.418 3.830 1.00 33.52 C ATOM 1002 CD1 ILE A 67 4.194 -0.749 2.615 1.00 21.13 C ATOM 0 H ILE A 67 3.886 0.442 5.899 1.00 4.43 H new ATOM 0 HA ILE A 67 2.064 0.346 3.848 1.00 22.15 H new ATOM 0 HB ILE A 67 3.010 -1.919 5.653 1.00 71.44 H new ATOM 0 HG12 ILE A 67 4.843 -0.617 4.643 1.00 32.54 H new ATOM 0 HG13 ILE A 67 4.769 -2.252 4.015 1.00 32.54 H new ATOM 0 HG21 ILE A 67 2.528 -3.376 3.723 1.00 33.52 H new ATOM 0 HG22 ILE A 67 1.058 -2.571 4.323 1.00 33.52 H new ATOM 0 HG23 ILE A 67 1.855 -1.982 2.844 1.00 33.52 H new ATOM 0 HD11 ILE A 67 5.206 -0.645 2.224 1.00 21.13 H new ATOM 0 HD12 ILE A 67 3.630 -1.435 1.983 1.00 21.13 H new ATOM 0 HD13 ILE A 67 3.705 0.225 2.620 1.00 21.13 H new ATOM 1014 N GLN A 68 0.760 -0.606 6.739 1.00 52.31 N ATOM 1015 CA GLN A 68 -0.497 -0.837 7.441 1.00 11.31 C ATOM 1016 C GLN A 68 -1.482 0.298 7.180 1.00 13.12 C ATOM 1017 O GLN A 68 -2.653 0.059 6.884 1.00 30.32 O ATOM 1018 CB GLN A 68 -0.248 -0.977 8.944 1.00 73.13 C ATOM 1019 CG GLN A 68 -0.188 -2.420 9.418 1.00 3.24 C ATOM 1020 CD GLN A 68 -1.538 -2.947 9.859 1.00 53.12 C ATOM 1021 OE1 GLN A 68 -1.790 -3.123 11.052 1.00 14.33 O ATOM 1022 NE2 GLN A 68 -2.417 -3.202 8.898 1.00 54.12 N ATOM 0 H GLN A 68 1.590 -0.668 7.328 1.00 52.31 H new ATOM 0 HA GLN A 68 -0.930 -1.764 7.064 1.00 11.31 H new ATOM 0 HB2 GLN A 68 0.689 -0.481 9.197 1.00 73.13 H new ATOM 0 HB3 GLN A 68 -1.039 -0.458 9.485 1.00 73.13 H new ATOM 0 HG2 GLN A 68 0.197 -3.047 8.614 1.00 3.24 H new ATOM 0 HG3 GLN A 68 0.516 -2.497 10.247 1.00 3.24 H new ATOM 0 HE21 GLN A 68 -2.167 -3.042 7.922 1.00 54.12 H new ATOM 0 HE22 GLN A 68 -3.343 -3.558 9.135 1.00 54.12 H new ATOM 1031 N GLN A 69 -1.001 1.532 7.293 1.00 60.13 N ATOM 1032 CA GLN A 69 -1.840 2.702 7.070 1.00 51.43 C ATOM 1033 C GLN A 69 -2.518 2.635 5.705 1.00 32.20 C ATOM 1034 O GLN A 69 -3.689 2.986 5.565 1.00 1.21 O ATOM 1035 CB GLN A 69 -1.008 3.981 7.176 1.00 21.40 C ATOM 1036 CG GLN A 69 -0.368 4.179 8.541 1.00 15.35 C ATOM 1037 CD GLN A 69 -1.313 3.851 9.680 1.00 63.42 C ATOM 1038 OE1 GLN A 69 -2.307 4.545 9.898 1.00 23.52 O ATOM 1039 NE2 GLN A 69 -1.007 2.788 10.414 1.00 32.21 N ATOM 0 H GLN A 69 -0.034 1.747 7.538 1.00 60.13 H new ATOM 0 HA GLN A 69 -2.612 2.714 7.839 1.00 51.43 H new ATOM 0 HB2 GLN A 69 -0.226 3.960 6.417 1.00 21.40 H new ATOM 0 HB3 GLN A 69 -1.644 4.838 6.954 1.00 21.40 H new ATOM 0 HG2 GLN A 69 0.519 3.550 8.617 1.00 15.35 H new ATOM 0 HG3 GLN A 69 -0.035 5.213 8.636 1.00 15.35 H new ATOM 0 HE21 GLN A 69 -0.173 2.242 10.198 1.00 32.21 H new ATOM 0 HE22 GLN A 69 -1.606 2.518 11.194 1.00 32.21 H new ATOM 1048 N ALA A 70 -1.774 2.181 4.702 1.00 30.51 N ATOM 1049 CA ALA A 70 -2.304 2.066 3.349 1.00 41.01 C ATOM 1050 C ALA A 70 -3.252 0.877 3.231 1.00 4.11 C ATOM 1051 O ALA A 70 -4.179 0.889 2.422 1.00 41.54 O ATOM 1052 CB ALA A 70 -1.167 1.939 2.347 1.00 41.35 C ATOM 0 H ALA A 70 -0.802 1.887 4.801 1.00 30.51 H new ATOM 0 HA ALA A 70 -2.869 2.971 3.127 1.00 41.01 H new ATOM 0 HB1 ALA A 70 -1.577 1.854 1.341 1.00 41.35 H new ATOM 0 HB2 ALA A 70 -0.530 2.821 2.406 1.00 41.35 H new ATOM 0 HB3 ALA A 70 -0.578 1.051 2.575 1.00 41.35 H new ATOM 1058 N ALA A 71 -3.012 -0.149 4.041 1.00 52.32 N ATOM 1059 CA ALA A 71 -3.845 -1.344 4.028 1.00 55.55 C ATOM 1060 C ALA A 71 -5.200 -1.076 4.676 1.00 72.14 C ATOM 1061 O ALA A 71 -6.193 -1.728 4.352 1.00 22.51 O ATOM 1062 CB ALA A 71 -3.137 -2.490 4.735 1.00 43.21 C ATOM 0 H ALA A 71 -2.247 -0.176 4.715 1.00 52.32 H new ATOM 0 HA ALA A 71 -4.017 -1.625 2.989 1.00 55.55 H new ATOM 0 HB1 ALA A 71 -3.772 -3.376 4.717 1.00 43.21 H new ATOM 0 HB2 ALA A 71 -2.198 -2.706 4.226 1.00 43.21 H new ATOM 0 HB3 ALA A 71 -2.934 -2.210 5.769 1.00 43.21 H new ATOM 1068 N ASP A 72 -5.233 -0.116 5.591 1.00 13.15 N ATOM 1069 CA ASP A 72 -6.466 0.238 6.285 1.00 11.53 C ATOM 1070 C ASP A 72 -7.392 1.037 5.374 1.00 4.33 C ATOM 1071 O ASP A 72 -8.614 0.905 5.443 1.00 11.13 O ATOM 1072 CB ASP A 72 -6.153 1.044 7.548 1.00 63.33 C ATOM 1073 CG ASP A 72 -7.341 1.137 8.484 1.00 53.34 C ATOM 1074 OD1 ASP A 72 -8.443 0.704 8.088 1.00 52.04 O ATOM 1075 OD2 ASP A 72 -7.171 1.644 9.612 1.00 23.23 O ATOM 0 H ASP A 72 -4.420 0.432 5.871 1.00 13.15 H new ATOM 0 HA ASP A 72 -6.972 -0.685 6.568 1.00 11.53 H new ATOM 0 HB2 ASP A 72 -5.316 0.582 8.072 1.00 63.33 H new ATOM 0 HB3 ASP A 72 -5.837 2.048 7.266 1.00 63.33 H new ATOM 1080 N VAL A 73 -6.801 1.869 4.520 1.00 71.22 N ATOM 1081 CA VAL A 73 -7.573 2.689 3.595 1.00 14.31 C ATOM 1082 C VAL A 73 -8.183 1.841 2.485 1.00 2.22 C ATOM 1083 O VAL A 73 -9.328 2.053 2.086 1.00 71.22 O ATOM 1084 CB VAL A 73 -6.703 3.793 2.964 1.00 73.32 C ATOM 1085 CG1 VAL A 73 -7.522 4.627 1.991 1.00 52.41 C ATOM 1086 CG2 VAL A 73 -6.089 4.669 4.045 1.00 33.35 C ATOM 0 H VAL A 73 -5.791 1.992 4.451 1.00 71.22 H new ATOM 0 HA VAL A 73 -8.372 3.152 4.174 1.00 14.31 H new ATOM 0 HB VAL A 73 -5.893 3.321 2.408 1.00 73.32 H new ATOM 0 HG11 VAL A 73 -6.891 5.402 1.555 1.00 52.41 H new ATOM 0 HG12 VAL A 73 -7.909 3.986 1.199 1.00 52.41 H new ATOM 0 HG13 VAL A 73 -8.354 5.092 2.521 1.00 52.41 H new ATOM 0 HG21 VAL A 73 -5.478 5.444 3.582 1.00 33.35 H new ATOM 0 HG22 VAL A 73 -6.882 5.134 4.630 1.00 33.35 H new ATOM 0 HG23 VAL A 73 -5.467 4.058 4.699 1.00 33.35 H new ATOM 1096 N ILE A 74 -7.410 0.880 1.990 1.00 2.41 N ATOM 1097 CA ILE A 74 -7.875 -0.001 0.926 1.00 4.11 C ATOM 1098 C ILE A 74 -8.983 -0.923 1.421 1.00 62.53 C ATOM 1099 O ILE A 74 -10.092 -0.918 0.890 1.00 41.32 O ATOM 1100 CB ILE A 74 -6.725 -0.856 0.360 1.00 12.45 C ATOM 1101 CG1 ILE A 74 -5.617 0.042 -0.194 1.00 50.42 C ATOM 1102 CG2 ILE A 74 -7.244 -1.795 -0.718 1.00 5.33 C ATOM 1103 CD1 ILE A 74 -4.267 -0.635 -0.262 1.00 50.12 C ATOM 0 H ILE A 74 -6.459 0.692 2.309 1.00 2.41 H new ATOM 0 HA ILE A 74 -8.265 0.639 0.134 1.00 4.11 H new ATOM 0 HB ILE A 74 -6.308 -1.458 1.167 1.00 12.45 H new ATOM 0 HG12 ILE A 74 -5.897 0.376 -1.193 1.00 50.42 H new ATOM 0 HG13 ILE A 74 -5.537 0.932 0.429 1.00 50.42 H new ATOM 0 HG21 ILE A 74 -6.420 -2.392 -1.108 1.00 5.33 H new ATOM 0 HG22 ILE A 74 -8.000 -2.455 -0.293 1.00 5.33 H new ATOM 0 HG23 ILE A 74 -7.684 -1.212 -1.527 1.00 5.33 H new ATOM 0 HD11 ILE A 74 -3.531 0.061 -0.664 1.00 50.12 H new ATOM 0 HD12 ILE A 74 -3.965 -0.945 0.738 1.00 50.12 H new ATOM 0 HD13 ILE A 74 -4.331 -1.510 -0.909 1.00 50.12 H new ATOM 1115 N GLU A 75 -8.674 -1.714 2.445 1.00 72.11 N ATOM 1116 CA GLU A 75 -9.646 -2.642 3.012 1.00 3.05 C ATOM 1117 C GLU A 75 -10.942 -1.921 3.370 1.00 24.44 C ATOM 1118 O GLU A 75 -12.025 -2.499 3.302 1.00 34.14 O ATOM 1119 CB GLU A 75 -9.068 -3.322 4.256 1.00 2.23 C ATOM 1120 CG GLU A 75 -9.005 -2.414 5.473 1.00 50.34 C ATOM 1121 CD GLU A 75 -10.249 -2.509 6.335 1.00 34.03 C ATOM 1122 OE1 GLU A 75 -11.204 -3.200 5.924 1.00 75.23 O ATOM 1123 OE2 GLU A 75 -10.266 -1.893 7.421 1.00 73.21 O ATOM 0 H GLU A 75 -7.760 -1.731 2.898 1.00 72.11 H new ATOM 0 HA GLU A 75 -9.868 -3.400 2.261 1.00 3.05 H new ATOM 0 HB2 GLU A 75 -9.674 -4.196 4.496 1.00 2.23 H new ATOM 0 HB3 GLU A 75 -8.064 -3.682 4.030 1.00 2.23 H new ATOM 0 HG2 GLU A 75 -8.132 -2.674 6.071 1.00 50.34 H new ATOM 0 HG3 GLU A 75 -8.872 -1.383 5.146 1.00 50.34 H new ATOM 1130 N GLY A 76 -10.821 -0.652 3.752 1.00 74.15 N ATOM 1131 CA GLY A 76 -11.990 0.127 4.115 1.00 32.05 C ATOM 1132 C GLY A 76 -13.026 0.168 3.010 1.00 31.21 C ATOM 1133 O GLY A 76 -14.228 0.199 3.276 1.00 12.31 O ATOM 0 H GLY A 76 -9.935 -0.151 3.816 1.00 74.15 H new ATOM 0 HA2 GLY A 76 -12.439 -0.295 5.014 1.00 32.05 H new ATOM 0 HA3 GLY A 76 -11.683 1.144 4.359 1.00 32.05 H new ATOM 1137 N LEU A 77 -12.561 0.170 1.765 1.00 32.31 N ATOM 1138 CA LEU A 77 -13.457 0.210 0.615 1.00 63.15 C ATOM 1139 C LEU A 77 -14.037 -1.172 0.328 1.00 31.24 C ATOM 1140 O LEU A 77 -15.199 -1.301 -0.061 1.00 34.33 O ATOM 1141 CB LEU A 77 -12.713 0.727 -0.618 1.00 50.22 C ATOM 1142 CG LEU A 77 -11.961 2.048 -0.442 1.00 62.24 C ATOM 1143 CD1 LEU A 77 -10.867 2.181 -1.489 1.00 4.23 C ATOM 1144 CD2 LEU A 77 -12.924 3.224 -0.521 1.00 24.32 C ATOM 0 H LEU A 77 -11.570 0.144 1.527 1.00 32.31 H new ATOM 0 HA LEU A 77 -14.278 0.888 0.849 1.00 63.15 H new ATOM 0 HB2 LEU A 77 -12.000 -0.035 -0.934 1.00 50.22 H new ATOM 0 HB3 LEU A 77 -13.432 0.846 -1.428 1.00 50.22 H new ATOM 0 HG LEU A 77 -11.495 2.052 0.543 1.00 62.24 H new ATOM 0 HD11 LEU A 77 -10.342 3.126 -1.349 1.00 4.23 H new ATOM 0 HD12 LEU A 77 -10.162 1.356 -1.386 1.00 4.23 H new ATOM 0 HD13 LEU A 77 -11.311 2.156 -2.484 1.00 4.23 H new ATOM 0 HD21 LEU A 77 -12.372 4.155 -0.394 1.00 24.32 H new ATOM 0 HD22 LEU A 77 -13.418 3.225 -1.492 1.00 24.32 H new ATOM 0 HD23 LEU A 77 -13.672 3.135 0.267 1.00 24.32 H new ATOM 1156 N LEU A 78 -13.222 -2.203 0.526 1.00 53.44 N ATOM 1157 CA LEU A 78 -13.656 -3.576 0.291 1.00 2.45 C ATOM 1158 C LEU A 78 -14.966 -3.865 1.016 1.00 0.30 C ATOM 1159 O LEU A 78 -15.809 -4.611 0.519 1.00 10.53 O ATOM 1160 CB LEU A 78 -12.577 -4.558 0.753 1.00 13.20 C ATOM 1161 CG LEU A 78 -11.479 -4.875 -0.263 1.00 13.42 C ATOM 1162 CD1 LEU A 78 -11.993 -5.838 -1.320 1.00 62.15 C ATOM 1163 CD2 LEU A 78 -10.964 -3.597 -0.908 1.00 4.22 C ATOM 0 H LEU A 78 -12.258 -2.114 0.848 1.00 53.44 H new ATOM 0 HA LEU A 78 -13.820 -3.701 -0.779 1.00 2.45 H new ATOM 0 HB2 LEU A 78 -12.108 -4.156 1.651 1.00 13.20 H new ATOM 0 HB3 LEU A 78 -13.062 -5.492 1.038 1.00 13.20 H new ATOM 0 HG LEU A 78 -10.651 -5.352 0.262 1.00 13.42 H new ATOM 0 HD11 LEU A 78 -11.198 -6.052 -2.034 1.00 62.15 H new ATOM 0 HD12 LEU A 78 -12.312 -6.765 -0.843 1.00 62.15 H new ATOM 0 HD13 LEU A 78 -12.838 -5.389 -1.841 1.00 62.15 H new ATOM 0 HD21 LEU A 78 -10.183 -3.842 -1.628 1.00 4.22 H new ATOM 0 HD22 LEU A 78 -11.783 -3.092 -1.419 1.00 4.22 H new ATOM 0 HD23 LEU A 78 -10.556 -2.941 -0.140 1.00 4.22 H new