USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 398 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 THR OG1 : rot -83:sc= 0.355 USER MOD Set 1.2: A 11 GLN : amide:sc= -3.3! C(o=-2.9!,f=-11!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 151:sc= 1.06 (180deg=-0.0819) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -140:sc= -0.0967 USER MOD Single : A 6 SER OG : rot -81:sc= 1.18 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 50:sc= 0.674 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.6) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 86:sc= 0.207 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 54:sc= 0.0885 USER MOD Single : A 50 GLN : amide:sc= -1.05 K(o=-1,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.846 6.857 3.524 1.00 0.00 N ATOM 2 CA SER A 1 -4.963 7.056 2.057 1.00 0.00 C ATOM 3 C SER A 1 -3.770 7.831 1.507 1.00 0.00 C ATOM 4 O SER A 1 -3.142 7.415 0.534 1.00 0.00 O ATOM 5 CB SER A 1 -6.263 7.813 1.771 1.00 0.00 C ATOM 6 OG SER A 1 -7.322 6.917 1.481 1.00 0.00 O ATOM 0 H1 SER A 1 -5.796 6.796 3.943 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.327 5.976 3.715 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.333 7.659 3.943 1.00 0.00 H new ATOM 0 HA SER A 1 -4.976 6.084 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.527 8.427 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 1 -6.115 8.491 0.930 1.00 0.00 H new ATOM 0 HG SER A 1 -8.141 7.425 1.304 1.00 0.00 H new ATOM 14 N ALA A 2 -3.462 8.960 2.138 1.00 0.00 N ATOM 15 CA ALA A 2 -2.343 9.791 1.713 1.00 0.00 C ATOM 16 C ALA A 2 -1.090 9.483 2.526 1.00 0.00 C ATOM 17 O ALA A 2 0.030 9.621 2.035 1.00 0.00 O ATOM 18 CB ALA A 2 -2.704 11.263 1.834 1.00 0.00 C ATOM 0 H ALA A 2 -3.972 9.319 2.945 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.131 9.565 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.859 11.872 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.567 11.479 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.945 11.494 2.872 1.00 0.00 H new ATOM 24 N ASP A 3 -1.287 9.068 3.773 1.00 0.00 N ATOM 25 CA ASP A 3 -0.175 8.742 4.657 1.00 0.00 C ATOM 26 C ASP A 3 0.685 7.627 4.068 1.00 0.00 C ATOM 27 O ASP A 3 1.887 7.558 4.321 1.00 0.00 O ATOM 28 CB ASP A 3 -0.695 8.325 6.033 1.00 0.00 C ATOM 29 CG ASP A 3 0.253 8.706 7.152 1.00 0.00 C ATOM 30 OD1 ASP A 3 1.399 8.210 7.153 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.149 9.503 8.026 1.00 0.00 O ATOM 0 H ASP A 3 -2.208 8.949 4.194 1.00 0.00 H new ATOM 0 HA ASP A 3 0.442 9.634 4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.664 8.791 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.853 7.247 6.047 1.00 0.00 H new ATOM 36 N TYR A 4 0.059 6.754 3.285 1.00 0.00 N ATOM 37 CA TYR A 4 0.765 5.640 2.661 1.00 0.00 C ATOM 38 C TYR A 4 1.937 6.135 1.818 1.00 0.00 C ATOM 39 O TYR A 4 3.051 5.622 1.923 1.00 0.00 O ATOM 40 CB TYR A 4 -0.193 4.824 1.793 1.00 0.00 C ATOM 41 CG TYR A 4 -1.366 4.254 2.557 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.659 4.703 2.320 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.182 3.265 3.516 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.734 4.185 3.016 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.252 2.741 4.215 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.525 3.204 3.962 1.00 0.00 C ATOM 47 OH TYR A 4 -4.593 2.684 4.657 1.00 0.00 O ATOM 0 H TYR A 4 -0.937 6.796 3.067 1.00 0.00 H new ATOM 0 HA TYR A 4 1.158 5.005 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.567 5.456 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.358 4.007 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.827 5.470 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.186 2.900 3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.733 4.546 2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.092 1.972 4.956 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.339 2.549 5.594 1.00 0.00 H new ATOM 57 N SER A 5 1.675 7.132 0.980 1.00 0.00 N ATOM 58 CA SER A 5 2.708 7.695 0.117 1.00 0.00 C ATOM 59 C SER A 5 3.868 8.248 0.939 1.00 0.00 C ATOM 60 O SER A 5 5.000 8.327 0.457 1.00 0.00 O ATOM 61 CB SER A 5 2.120 8.800 -0.763 1.00 0.00 C ATOM 62 OG SER A 5 3.076 9.273 -1.695 1.00 0.00 O ATOM 0 H SER A 5 0.758 7.567 0.880 1.00 0.00 H new ATOM 0 HA SER A 5 3.088 6.895 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.247 8.420 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.779 9.625 -0.137 1.00 0.00 H new ATOM 0 HG SER A 5 2.675 9.977 -2.246 1.00 0.00 H new ATOM 68 N SER A 6 3.583 8.633 2.179 1.00 0.00 N ATOM 69 CA SER A 6 4.605 9.182 3.063 1.00 0.00 C ATOM 70 C SER A 6 5.481 8.076 3.649 1.00 0.00 C ATOM 71 O SER A 6 6.602 8.330 4.091 1.00 0.00 O ATOM 72 CB SER A 6 3.956 9.986 4.191 1.00 0.00 C ATOM 73 OG SER A 6 3.558 9.142 5.258 1.00 0.00 O ATOM 0 H SER A 6 2.653 8.575 2.594 1.00 0.00 H new ATOM 0 HA SER A 6 5.239 9.842 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.658 10.735 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.089 10.524 3.806 1.00 0.00 H new ATOM 0 HG SER A 6 2.697 8.726 5.042 1.00 0.00 H new ATOM 79 N LEU A 7 4.966 6.849 3.652 1.00 0.00 N ATOM 80 CA LEU A 7 5.710 5.714 4.187 1.00 0.00 C ATOM 81 C LEU A 7 6.748 5.223 3.183 1.00 0.00 C ATOM 82 O LEU A 7 6.608 5.429 1.978 1.00 0.00 O ATOM 83 CB LEU A 7 4.761 4.569 4.553 1.00 0.00 C ATOM 84 CG LEU A 7 3.398 4.999 5.100 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.559 3.783 5.456 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.571 5.902 6.311 1.00 0.00 C ATOM 0 H LEU A 7 4.041 6.617 3.291 1.00 0.00 H new ATOM 0 HA LEU A 7 6.225 6.048 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.601 3.954 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.249 3.938 5.295 1.00 0.00 H new ATOM 0 HG LEU A 7 2.877 5.560 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.593 4.108 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.406 3.173 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.075 3.195 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.592 6.198 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.112 5.366 7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.134 6.791 6.025 1.00 0.00 H new ATOM 98 N THR A 8 7.789 4.572 3.691 1.00 0.00 N ATOM 99 CA THR A 8 8.851 4.049 2.841 1.00 0.00 C ATOM 100 C THR A 8 8.378 2.812 2.088 1.00 0.00 C ATOM 101 O THR A 8 7.304 2.278 2.366 1.00 0.00 O ATOM 102 CB THR A 8 10.078 3.697 3.684 1.00 0.00 C ATOM 103 OG1 THR A 8 9.888 2.460 4.350 1.00 0.00 O ATOM 104 CG2 THR A 8 10.405 4.739 4.734 1.00 0.00 C ATOM 0 H THR A 8 7.919 4.394 4.687 1.00 0.00 H new ATOM 0 HA THR A 8 9.119 4.820 2.119 1.00 0.00 H new ATOM 0 HB THR A 8 10.908 3.645 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.379 2.607 5.174 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.285 4.426 5.295 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.605 5.694 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.561 4.847 5.415 1.00 0.00 H new ATOM 112 N VAL A 9 9.187 2.354 1.138 1.00 0.00 N ATOM 113 CA VAL A 9 8.845 1.173 0.358 1.00 0.00 C ATOM 114 C VAL A 9 8.700 -0.039 1.268 1.00 0.00 C ATOM 115 O VAL A 9 7.770 -0.832 1.122 1.00 0.00 O ATOM 116 CB VAL A 9 9.908 0.876 -0.718 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.468 -0.280 -1.604 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.185 2.118 -1.552 1.00 0.00 C ATOM 0 H VAL A 9 10.080 2.781 0.891 1.00 0.00 H new ATOM 0 HA VAL A 9 7.897 1.376 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 9 10.832 0.587 -0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.233 -0.473 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.326 -1.172 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.530 -0.024 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.938 1.889 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.266 2.439 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.550 2.916 -0.906 1.00 0.00 H new ATOM 128 N VAL A 10 9.621 -0.168 2.217 1.00 0.00 N ATOM 129 CA VAL A 10 9.590 -1.273 3.164 1.00 0.00 C ATOM 130 C VAL A 10 8.353 -1.180 4.048 1.00 0.00 C ATOM 131 O VAL A 10 7.712 -2.188 4.344 1.00 0.00 O ATOM 132 CB VAL A 10 10.848 -1.291 4.054 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.874 -2.544 4.917 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.105 -1.194 3.202 1.00 0.00 C ATOM 0 H VAL A 10 10.398 0.480 2.350 1.00 0.00 H new ATOM 0 HA VAL A 10 9.561 -2.196 2.585 1.00 0.00 H new ATOM 0 HB VAL A 10 10.817 -0.425 4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.769 -2.539 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.990 -2.565 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.881 -3.426 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.984 -1.208 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.145 -2.040 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.088 -0.265 2.633 1.00 0.00 H new ATOM 144 N GLN A 11 8.017 0.040 4.459 1.00 0.00 N ATOM 145 CA GLN A 11 6.849 0.263 5.298 1.00 0.00 C ATOM 146 C GLN A 11 5.576 -0.070 4.531 1.00 0.00 C ATOM 147 O GLN A 11 4.689 -0.755 5.042 1.00 0.00 O ATOM 148 CB GLN A 11 6.807 1.715 5.780 1.00 0.00 C ATOM 149 CG GLN A 11 7.562 1.947 7.079 1.00 0.00 C ATOM 150 CD GLN A 11 7.859 3.412 7.325 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.205 4.152 6.405 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.725 3.840 8.576 1.00 0.00 N ATOM 0 H GLN A 11 8.537 0.885 4.224 1.00 0.00 H new ATOM 0 HA GLN A 11 6.918 -0.392 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.226 2.358 5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.768 2.014 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.977 1.554 7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.498 1.389 7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.436 3.192 9.309 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.911 4.817 8.804 1.00 0.00 H new ATOM 161 N LEU A 12 5.498 0.413 3.295 1.00 0.00 N ATOM 162 CA LEU A 12 4.341 0.160 2.449 1.00 0.00 C ATOM 163 C LEU A 12 4.194 -1.332 2.172 1.00 0.00 C ATOM 164 O LEU A 12 3.089 -1.872 2.188 1.00 0.00 O ATOM 165 CB LEU A 12 4.470 0.927 1.132 1.00 0.00 C ATOM 166 CG LEU A 12 3.923 2.355 1.159 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.418 3.141 -0.046 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.403 2.342 1.201 1.00 0.00 C ATOM 0 H LEU A 12 6.223 0.982 2.859 1.00 0.00 H new ATOM 0 HA LEU A 12 3.450 0.505 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.523 0.963 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.951 0.370 0.352 1.00 0.00 H new ATOM 0 HG LEU A 12 4.288 2.846 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.018 4.154 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.507 3.180 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.084 2.652 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.031 3.366 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.019 1.833 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.068 1.818 2.096 1.00 0.00 H new ATOM 180 N LYS A 13 5.321 -1.993 1.922 1.00 0.00 N ATOM 181 CA LYS A 13 5.320 -3.424 1.646 1.00 0.00 C ATOM 182 C LYS A 13 4.866 -4.209 2.872 1.00 0.00 C ATOM 183 O LYS A 13 4.195 -5.235 2.750 1.00 0.00 O ATOM 184 CB LYS A 13 6.714 -3.886 1.211 1.00 0.00 C ATOM 185 CG LYS A 13 6.814 -4.215 -0.268 1.00 0.00 C ATOM 186 CD LYS A 13 8.193 -3.891 -0.823 1.00 0.00 C ATOM 187 CE LYS A 13 9.008 -5.151 -1.064 1.00 0.00 C ATOM 188 NZ LYS A 13 8.881 -5.635 -2.467 1.00 0.00 N ATOM 0 H LYS A 13 6.244 -1.560 1.905 1.00 0.00 H new ATOM 0 HA LYS A 13 4.618 -3.613 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.437 -3.106 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.992 -4.767 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.599 -5.273 -0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.059 -3.653 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.090 -3.339 -1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.723 -3.242 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.057 -4.953 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.679 -5.933 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.452 -6.496 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.884 -5.848 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.219 -4.899 -3.120 1.00 0.00 H new ATOM 202 N ASP A 14 5.231 -3.718 4.052 1.00 0.00 N ATOM 203 CA ASP A 14 4.854 -4.373 5.299 1.00 0.00 C ATOM 204 C ASP A 14 3.344 -4.315 5.493 1.00 0.00 C ATOM 205 O ASP A 14 2.707 -5.318 5.814 1.00 0.00 O ATOM 206 CB ASP A 14 5.565 -3.713 6.484 1.00 0.00 C ATOM 207 CG ASP A 14 6.530 -4.656 7.176 1.00 0.00 C ATOM 208 OD1 ASP A 14 7.746 -4.373 7.167 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.069 -5.678 7.727 1.00 0.00 O ATOM 0 H ASP A 14 5.786 -2.871 4.171 1.00 0.00 H new ATOM 0 HA ASP A 14 5.159 -5.418 5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.107 -2.834 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.822 -3.366 7.202 1.00 0.00 H new ATOM 214 N LEU A 15 2.775 -3.131 5.288 1.00 0.00 N ATOM 215 CA LEU A 15 1.339 -2.940 5.432 1.00 0.00 C ATOM 216 C LEU A 15 0.584 -3.808 4.433 1.00 0.00 C ATOM 217 O LEU A 15 -0.460 -4.378 4.751 1.00 0.00 O ATOM 218 CB LEU A 15 0.975 -1.469 5.227 1.00 0.00 C ATOM 219 CG LEU A 15 1.003 -0.612 6.494 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.757 0.850 6.154 1.00 0.00 C ATOM 221 CD2 LEU A 15 -0.027 -1.109 7.496 1.00 0.00 C ATOM 0 H LEU A 15 3.288 -2.291 5.022 1.00 0.00 H new ATOM 0 HA LEU A 15 1.052 -3.236 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.663 -1.038 4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.023 -1.415 4.792 1.00 0.00 H new ATOM 0 HG LEU A 15 1.991 -0.697 6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.780 1.445 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.532 1.201 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.218 0.954 5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.007 -0.488 8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.022 -1.054 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.194 -2.142 7.763 1.00 0.00 H new ATOM 233 N LEU A 16 1.125 -3.908 3.225 1.00 0.00 N ATOM 234 CA LEU A 16 0.511 -4.713 2.177 1.00 0.00 C ATOM 235 C LEU A 16 0.488 -6.183 2.578 1.00 0.00 C ATOM 236 O LEU A 16 -0.527 -6.862 2.429 1.00 0.00 O ATOM 237 CB LEU A 16 1.269 -4.539 0.860 1.00 0.00 C ATOM 238 CG LEU A 16 0.755 -3.408 -0.037 1.00 0.00 C ATOM 239 CD1 LEU A 16 1.841 -2.368 -0.270 1.00 0.00 C ATOM 240 CD2 LEU A 16 0.252 -3.961 -1.363 1.00 0.00 C ATOM 0 H LEU A 16 1.988 -3.441 2.947 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.515 -4.373 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.320 -4.356 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.220 -5.475 0.303 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.078 -2.923 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.454 -1.575 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.151 -1.945 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.697 -2.838 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.109 -3.142 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.066 -4.475 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.562 -4.663 -1.179 1.00 0.00 H new ATOM 252 N THR A 17 1.610 -6.669 3.098 1.00 0.00 N ATOM 253 CA THR A 17 1.707 -8.057 3.528 1.00 0.00 C ATOM 254 C THR A 17 0.661 -8.353 4.595 1.00 0.00 C ATOM 255 O THR A 17 -0.015 -9.380 4.553 1.00 0.00 O ATOM 256 CB THR A 17 3.108 -8.356 4.067 1.00 0.00 C ATOM 257 OG1 THR A 17 3.739 -7.167 4.509 1.00 0.00 O ATOM 258 CG2 THR A 17 4.016 -9.004 3.044 1.00 0.00 C ATOM 0 H THR A 17 2.462 -6.124 3.231 1.00 0.00 H new ATOM 0 HA THR A 17 1.523 -8.698 2.666 1.00 0.00 H new ATOM 0 HB THR A 17 2.958 -9.054 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.134 -6.678 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.993 -9.189 3.490 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.581 -9.949 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.129 -8.341 2.186 1.00 0.00 H new ATOM 266 N LYS A 18 0.527 -7.434 5.543 1.00 0.00 N ATOM 267 CA LYS A 18 -0.446 -7.580 6.618 1.00 0.00 C ATOM 268 C LYS A 18 -1.868 -7.468 6.077 1.00 0.00 C ATOM 269 O LYS A 18 -2.804 -8.038 6.637 1.00 0.00 O ATOM 270 CB LYS A 18 -0.212 -6.520 7.696 1.00 0.00 C ATOM 271 CG LYS A 18 1.028 -6.770 8.538 1.00 0.00 C ATOM 272 CD LYS A 18 1.648 -5.467 9.018 1.00 0.00 C ATOM 273 CE LYS A 18 2.156 -5.584 10.447 1.00 0.00 C ATOM 274 NZ LYS A 18 1.911 -4.340 11.230 1.00 0.00 N ATOM 0 H LYS A 18 1.081 -6.579 5.589 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.319 -8.568 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.127 -5.543 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.083 -6.481 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.767 -7.388 9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.759 -7.329 7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.472 -5.191 8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.909 -4.668 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.666 -6.424 10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.224 -5.801 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.272 -4.462 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.400 -3.542 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.890 -4.146 11.264 1.00 0.00 H new ATOM 288 N ARG A 19 -2.023 -6.723 4.984 1.00 0.00 N ATOM 289 CA ARG A 19 -3.332 -6.530 4.369 1.00 0.00 C ATOM 290 C ARG A 19 -3.596 -7.564 3.272 1.00 0.00 C ATOM 291 O ARG A 19 -4.687 -7.606 2.703 1.00 0.00 O ATOM 292 CB ARG A 19 -3.432 -5.116 3.790 1.00 0.00 C ATOM 293 CG ARG A 19 -4.294 -4.179 4.620 1.00 0.00 C ATOM 294 CD ARG A 19 -3.461 -3.397 5.622 1.00 0.00 C ATOM 295 NE ARG A 19 -3.908 -2.011 5.744 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.970 -1.634 6.450 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.697 -2.535 7.101 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.307 -0.353 6.508 1.00 0.00 N ATOM 0 H ARG A 19 -1.259 -6.244 4.508 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.089 -6.663 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.430 -4.695 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.840 -5.173 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.818 -3.486 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.055 -4.754 5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.516 -3.883 6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.415 -3.415 5.316 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.374 -1.290 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.442 -3.522 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.511 -2.240 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.752 0.343 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.122 -0.064 7.050 1.00 0.00 H new ATOM 312 N ASN A 20 -2.599 -8.395 2.979 1.00 0.00 N ATOM 313 CA ASN A 20 -2.736 -9.422 1.951 1.00 0.00 C ATOM 314 C ASN A 20 -2.896 -8.794 0.569 1.00 0.00 C ATOM 315 O ASN A 20 -3.738 -9.217 -0.223 1.00 0.00 O ATOM 316 CB ASN A 20 -3.932 -10.328 2.256 1.00 0.00 C ATOM 317 CG ASN A 20 -3.657 -11.782 1.925 1.00 0.00 C ATOM 318 OD1 ASN A 20 -3.256 -12.111 0.808 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.874 -12.661 2.896 1.00 0.00 N ATOM 0 H ASN A 20 -1.689 -8.377 3.439 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.827 -10.023 1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.190 -10.241 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.797 -9.986 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.708 -13.654 2.732 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.206 -12.343 3.807 1.00 0.00 H new ATOM 326 N LEU A 21 -2.083 -7.780 0.287 1.00 0.00 N ATOM 327 CA LEU A 21 -2.135 -7.093 -0.998 1.00 0.00 C ATOM 328 C LEU A 21 -0.860 -7.335 -1.798 1.00 0.00 C ATOM 329 O LEU A 21 0.192 -7.639 -1.234 1.00 0.00 O ATOM 330 CB LEU A 21 -2.343 -5.592 -0.789 1.00 0.00 C ATOM 331 CG LEU A 21 -3.705 -5.200 -0.214 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.728 -3.722 0.143 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.813 -5.529 -1.203 1.00 0.00 C ATOM 0 H LEU A 21 -1.381 -7.417 0.931 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.977 -7.495 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.564 -5.222 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.210 -5.086 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.874 -5.775 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.705 -3.461 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.958 -3.515 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.538 -3.129 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.776 -5.244 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.648 -4.980 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.810 -6.599 -1.410 1.00 0.00 H new ATOM 345 N SER A 22 -0.959 -7.197 -3.117 1.00 0.00 N ATOM 346 CA SER A 22 0.188 -7.400 -3.996 1.00 0.00 C ATOM 347 C SER A 22 1.183 -6.251 -3.870 1.00 0.00 C ATOM 348 O SER A 22 0.818 -5.083 -4.003 1.00 0.00 O ATOM 349 CB SER A 22 -0.275 -7.530 -5.449 1.00 0.00 C ATOM 350 OG SER A 22 -0.504 -8.885 -5.793 1.00 0.00 O ATOM 0 H SER A 22 -1.821 -6.946 -3.600 1.00 0.00 H new ATOM 0 HA SER A 22 0.686 -8.322 -3.694 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.189 -6.955 -5.595 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.478 -7.105 -6.113 1.00 0.00 H new ATOM 0 HG SER A 22 -0.800 -8.940 -6.725 1.00 0.00 H new ATOM 356 N VAL A 23 2.442 -6.590 -3.611 1.00 0.00 N ATOM 357 CA VAL A 23 3.489 -5.586 -3.466 1.00 0.00 C ATOM 358 C VAL A 23 4.409 -5.560 -4.685 1.00 0.00 C ATOM 359 O VAL A 23 5.528 -5.053 -4.617 1.00 0.00 O ATOM 360 CB VAL A 23 4.337 -5.836 -2.206 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.516 -5.581 -0.951 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.895 -7.251 -2.208 1.00 0.00 C ATOM 0 H VAL A 23 2.761 -7.552 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 23 2.987 -4.623 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 23 5.176 -5.140 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.132 -5.763 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.171 -4.547 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.656 -6.250 -0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.491 -7.408 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.073 -7.966 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.521 -7.394 -3.089 1.00 0.00 H new ATOM 372 N GLY A 24 3.933 -6.110 -5.799 1.00 0.00 N ATOM 373 CA GLY A 24 4.732 -6.136 -7.011 1.00 0.00 C ATOM 374 C GLY A 24 4.779 -4.790 -7.706 1.00 0.00 C ATOM 375 O GLY A 24 5.748 -4.474 -8.397 1.00 0.00 O ATOM 0 H GLY A 24 3.011 -6.537 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.747 -6.450 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.324 -6.880 -7.695 1.00 0.00 H new ATOM 379 N GLY A 25 3.731 -3.994 -7.523 1.00 0.00 N ATOM 380 CA GLY A 25 3.677 -2.684 -8.145 1.00 0.00 C ATOM 381 C GLY A 25 4.662 -1.707 -7.530 1.00 0.00 C ATOM 382 O GLY A 25 5.208 -1.959 -6.457 1.00 0.00 O ATOM 0 H GLY A 25 2.918 -4.233 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.885 -2.782 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.668 -2.283 -8.053 1.00 0.00 H new ATOM 386 N LEU A 26 4.886 -0.590 -8.214 1.00 0.00 N ATOM 387 CA LEU A 26 5.809 0.429 -7.729 1.00 0.00 C ATOM 388 C LEU A 26 5.265 1.103 -6.474 1.00 0.00 C ATOM 389 O LEU A 26 4.121 0.876 -6.084 1.00 0.00 O ATOM 390 CB LEU A 26 6.063 1.476 -8.816 1.00 0.00 C ATOM 391 CG LEU A 26 7.090 1.073 -9.876 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.724 1.669 -11.227 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.484 1.510 -9.458 1.00 0.00 C ATOM 0 H LEU A 26 4.442 -0.368 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 26 6.751 -0.059 -7.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.119 1.698 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.397 2.398 -8.340 1.00 0.00 H new ATOM 0 HG LEU A 26 7.084 -0.013 -9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.465 1.372 -11.969 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.742 1.307 -11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.702 2.756 -11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.202 1.216 -10.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.505 2.593 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.746 1.035 -8.512 1.00 0.00 H new ATOM 405 N LYS A 27 6.092 1.935 -5.847 1.00 0.00 N ATOM 406 CA LYS A 27 5.695 2.644 -4.633 1.00 0.00 C ATOM 407 C LYS A 27 4.325 3.298 -4.800 1.00 0.00 C ATOM 408 O LYS A 27 3.445 3.144 -3.954 1.00 0.00 O ATOM 409 CB LYS A 27 6.738 3.705 -4.275 1.00 0.00 C ATOM 410 CG LYS A 27 6.840 3.976 -2.782 1.00 0.00 C ATOM 411 CD LYS A 27 6.031 5.199 -2.382 1.00 0.00 C ATOM 412 CE LYS A 27 6.880 6.459 -2.394 1.00 0.00 C ATOM 413 NZ LYS A 27 6.173 7.598 -3.041 1.00 0.00 N ATOM 0 H LYS A 27 7.042 2.135 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 27 5.631 1.916 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.712 3.385 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.491 4.634 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.485 3.107 -2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.885 4.124 -2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.190 5.319 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.614 5.050 -1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.144 6.729 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.813 6.263 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.785 8.439 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.944 7.351 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.295 7.802 -2.522 1.00 0.00 H new ATOM 427 N ASN A 28 4.152 4.025 -5.899 1.00 0.00 N ATOM 428 CA ASN A 28 2.888 4.695 -6.177 1.00 0.00 C ATOM 429 C ASN A 28 1.758 3.677 -6.302 1.00 0.00 C ATOM 430 O ASN A 28 0.617 3.948 -5.921 1.00 0.00 O ATOM 431 CB ASN A 28 2.996 5.535 -7.454 1.00 0.00 C ATOM 432 CG ASN A 28 2.988 4.692 -8.715 1.00 0.00 C ATOM 433 OD1 ASN A 28 4.027 4.468 -9.334 1.00 0.00 O ATOM 434 ND2 ASN A 28 1.809 4.219 -9.099 1.00 0.00 N ATOM 0 H ASN A 28 4.870 4.165 -6.610 1.00 0.00 H new ATOM 0 HA ASN A 28 2.661 5.360 -5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.167 6.242 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.914 6.122 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.739 3.644 -9.939 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.973 4.430 -8.554 1.00 0.00 H new ATOM 441 N GLU A 29 2.085 2.502 -6.831 1.00 0.00 N ATOM 442 CA GLU A 29 1.103 1.441 -6.999 1.00 0.00 C ATOM 443 C GLU A 29 0.687 0.899 -5.641 1.00 0.00 C ATOM 444 O GLU A 29 -0.475 0.552 -5.424 1.00 0.00 O ATOM 445 CB GLU A 29 1.676 0.315 -7.863 1.00 0.00 C ATOM 446 CG GLU A 29 1.283 0.413 -9.328 1.00 0.00 C ATOM 447 CD GLU A 29 0.030 -0.378 -9.649 1.00 0.00 C ATOM 448 OE1 GLU A 29 0.134 -1.383 -10.383 1.00 0.00 O ATOM 449 OE2 GLU A 29 -1.055 0.007 -9.166 1.00 0.00 O ATOM 0 H GLU A 29 3.024 2.262 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 29 0.227 1.851 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.763 0.326 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.338 -0.643 -7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.125 1.459 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.105 0.051 -9.946 1.00 0.00 H new ATOM 456 N LEU A 30 1.646 0.843 -4.725 1.00 0.00 N ATOM 457 CA LEU A 30 1.390 0.362 -3.377 1.00 0.00 C ATOM 458 C LEU A 30 0.461 1.322 -2.645 1.00 0.00 C ATOM 459 O LEU A 30 -0.437 0.904 -1.915 1.00 0.00 O ATOM 460 CB LEU A 30 2.705 0.221 -2.610 1.00 0.00 C ATOM 461 CG LEU A 30 3.738 -0.707 -3.254 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.063 -0.625 -2.512 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.227 -2.139 -3.278 1.00 0.00 C ATOM 0 H LEU A 30 2.611 1.126 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 30 0.911 -0.615 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.149 1.210 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.485 -0.146 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 30 3.899 -0.383 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.786 -1.291 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.437 0.398 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.918 -0.924 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.975 -2.784 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.037 -2.475 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.302 -2.186 -3.853 1.00 0.00 H new ATOM 475 N VAL A 31 0.684 2.615 -2.857 1.00 0.00 N ATOM 476 CA VAL A 31 -0.129 3.647 -2.231 1.00 0.00 C ATOM 477 C VAL A 31 -1.574 3.565 -2.712 1.00 0.00 C ATOM 478 O VAL A 31 -2.508 3.590 -1.913 1.00 0.00 O ATOM 479 CB VAL A 31 0.429 5.053 -2.530 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.418 6.129 -1.863 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.880 5.154 -2.086 1.00 0.00 C ATOM 0 H VAL A 31 1.425 2.972 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.098 3.476 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 31 0.387 5.215 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.003 7.111 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.440 6.072 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.418 5.975 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.259 6.153 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.946 4.967 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.476 4.415 -2.621 1.00 0.00 H new ATOM 491 N GLN A 32 -1.744 3.465 -4.023 1.00 0.00 N ATOM 492 CA GLN A 32 -3.073 3.377 -4.618 1.00 0.00 C ATOM 493 C GLN A 32 -3.779 2.100 -4.178 1.00 0.00 C ATOM 494 O GLN A 32 -4.992 2.089 -3.972 1.00 0.00 O ATOM 495 CB GLN A 32 -2.977 3.423 -6.143 1.00 0.00 C ATOM 496 CG GLN A 32 -2.892 4.833 -6.706 1.00 0.00 C ATOM 497 CD GLN A 32 -4.027 5.152 -7.660 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.265 4.425 -8.625 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.734 6.244 -7.395 1.00 0.00 N ATOM 0 H GLN A 32 -0.978 3.443 -4.697 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.656 4.231 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.099 2.861 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.847 2.923 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.902 5.549 -5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.941 4.956 -7.225 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.502 6.818 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.509 6.509 -8.002 1.00 0.00 H new ATOM 508 N ARG A 33 -3.012 1.023 -4.031 1.00 0.00 N ATOM 509 CA ARG A 33 -3.573 -0.256 -3.610 1.00 0.00 C ATOM 510 C ARG A 33 -4.148 -0.144 -2.203 1.00 0.00 C ATOM 511 O ARG A 33 -5.262 -0.597 -1.939 1.00 0.00 O ATOM 512 CB ARG A 33 -2.503 -1.348 -3.655 1.00 0.00 C ATOM 513 CG ARG A 33 -3.053 -2.724 -4.002 1.00 0.00 C ATOM 514 CD ARG A 33 -2.575 -3.190 -5.369 1.00 0.00 C ATOM 515 NE ARG A 33 -2.964 -4.571 -5.644 1.00 0.00 N ATOM 516 CZ ARG A 33 -2.653 -5.220 -6.764 1.00 0.00 C ATOM 517 NH1 ARG A 33 -1.949 -4.618 -7.715 1.00 0.00 N ATOM 518 NH2 ARG A 33 -3.047 -6.474 -6.935 1.00 0.00 N ATOM 0 H ARG A 33 -2.006 1.011 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.376 -0.524 -4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.745 -1.073 -4.389 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.006 -1.398 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.743 -3.442 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.143 -2.695 -3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.987 -2.537 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.490 -3.101 -5.423 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.506 -5.067 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.643 -3.653 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.714 -5.120 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.589 -6.942 -6.208 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.809 -6.971 -7.793 1.00 0.00 H new ATOM 532 N LEU A 34 -3.388 0.479 -1.309 1.00 0.00 N ATOM 533 CA LEU A 34 -3.832 0.669 0.066 1.00 0.00 C ATOM 534 C LEU A 34 -5.010 1.634 0.105 1.00 0.00 C ATOM 535 O LEU A 34 -5.943 1.470 0.892 1.00 0.00 O ATOM 536 CB LEU A 34 -2.687 1.204 0.929 1.00 0.00 C ATOM 537 CG LEU A 34 -1.733 0.139 1.472 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.343 0.721 1.676 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.267 -0.439 2.774 1.00 0.00 C ATOM 0 H LEU A 34 -2.464 0.860 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.148 -0.295 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.112 1.919 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.112 1.752 1.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.663 -0.666 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.322 -0.051 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.041 1.087 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.394 1.545 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.576 -1.195 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.366 0.357 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.242 -0.894 2.598 1.00 0.00 H new ATOM 551 N ILE A 35 -4.957 2.639 -0.764 1.00 0.00 N ATOM 552 CA ILE A 35 -6.010 3.640 -0.854 1.00 0.00 C ATOM 553 C ILE A 35 -7.312 3.014 -1.350 1.00 0.00 C ATOM 554 O ILE A 35 -8.391 3.313 -0.838 1.00 0.00 O ATOM 555 CB ILE A 35 -5.594 4.791 -1.799 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.479 5.621 -1.160 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.784 5.677 -2.146 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.725 6.483 -2.151 1.00 0.00 C ATOM 0 H ILE A 35 -4.189 2.780 -1.420 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.170 4.044 0.146 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.223 4.352 -2.725 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.909 6.260 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.776 4.951 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.460 6.477 -2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.550 5.080 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.195 6.108 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.950 7.044 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.266 5.849 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.416 7.178 -2.629 1.00 0.00 H new ATOM 570 N LYS A 36 -7.202 2.142 -2.348 1.00 0.00 N ATOM 571 CA LYS A 36 -8.370 1.474 -2.910 1.00 0.00 C ATOM 572 C LYS A 36 -9.007 0.541 -1.888 1.00 0.00 C ATOM 573 O LYS A 36 -10.229 0.488 -1.757 1.00 0.00 O ATOM 574 CB LYS A 36 -7.979 0.688 -4.163 1.00 0.00 C ATOM 575 CG LYS A 36 -8.027 1.513 -5.439 1.00 0.00 C ATOM 576 CD LYS A 36 -7.299 0.819 -6.580 1.00 0.00 C ATOM 577 CE LYS A 36 -8.011 1.031 -7.907 1.00 0.00 C ATOM 578 NZ LYS A 36 -7.058 1.371 -8.999 1.00 0.00 N ATOM 0 H LYS A 36 -6.317 1.882 -2.783 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.099 2.237 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.972 0.292 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.646 -0.167 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.065 1.688 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.577 2.489 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.280 1.200 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.227 -0.248 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.561 0.128 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.744 1.831 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.582 1.508 -9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.551 2.247 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.374 0.596 -9.116 1.00 0.00 H new ATOM 592 N ASP A 37 -8.169 -0.196 -1.165 1.00 0.00 N ATOM 593 CA ASP A 37 -8.649 -1.128 -0.153 1.00 0.00 C ATOM 594 C ASP A 37 -9.347 -0.387 0.983 1.00 0.00 C ATOM 595 O ASP A 37 -10.372 -0.836 1.496 1.00 0.00 O ATOM 596 CB ASP A 37 -7.487 -1.955 0.400 1.00 0.00 C ATOM 597 CG ASP A 37 -7.948 -3.264 1.011 1.00 0.00 C ATOM 598 OD1 ASP A 37 -8.695 -4.004 0.337 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.561 -3.549 2.164 1.00 0.00 O ATOM 0 H ASP A 37 -7.154 -0.165 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.370 -1.796 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.778 -2.161 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.956 -1.373 1.153 1.00 0.00 H new ATOM 604 N ASP A 38 -8.783 0.753 1.371 1.00 0.00 N ATOM 605 CA ASP A 38 -9.351 1.558 2.446 1.00 0.00 C ATOM 606 C ASP A 38 -10.649 2.225 2.001 1.00 0.00 C ATOM 607 O ASP A 38 -11.617 2.290 2.758 1.00 0.00 O ATOM 608 CB ASP A 38 -8.349 2.620 2.902 1.00 0.00 C ATOM 609 CG ASP A 38 -7.487 2.144 4.055 1.00 0.00 C ATOM 610 OD1 ASP A 38 -7.516 2.790 5.124 1.00 0.00 O ATOM 611 OD2 ASP A 38 -6.784 1.125 3.889 1.00 0.00 O ATOM 0 H ASP A 38 -7.934 1.139 0.957 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.573 0.895 3.282 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.709 2.896 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.888 3.519 3.202 1.00 0.00 H new ATOM 616 N GLU A 39 -10.659 2.717 0.769 1.00 0.00 N ATOM 617 CA GLU A 39 -11.836 3.380 0.220 1.00 0.00 C ATOM 618 C GLU A 39 -12.949 2.373 -0.053 1.00 0.00 C ATOM 619 O GLU A 39 -14.128 2.668 0.141 1.00 0.00 O ATOM 620 CB GLU A 39 -11.476 4.123 -1.068 1.00 0.00 C ATOM 621 CG GLU A 39 -11.070 5.570 -0.842 1.00 0.00 C ATOM 622 CD GLU A 39 -11.397 6.458 -2.026 1.00 0.00 C ATOM 623 OE1 GLU A 39 -10.506 6.664 -2.878 1.00 0.00 O ATOM 624 OE2 GLU A 39 -12.543 6.948 -2.103 1.00 0.00 O ATOM 0 H GLU A 39 -9.865 2.670 0.130 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.194 4.099 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.659 3.598 -1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.330 4.095 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.576 5.952 0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.999 5.616 -0.642 1.00 0.00 H new ATOM 631 N GLU A 40 -12.564 1.185 -0.503 1.00 0.00 N ATOM 632 CA GLU A 40 -13.527 0.133 -0.805 1.00 0.00 C ATOM 633 C GLU A 40 -14.210 -0.361 0.467 1.00 0.00 C ATOM 634 O GLU A 40 -15.408 -0.642 0.472 1.00 0.00 O ATOM 635 CB GLU A 40 -12.835 -1.033 -1.513 1.00 0.00 C ATOM 636 CG GLU A 40 -12.818 -0.900 -3.027 1.00 0.00 C ATOM 637 CD GLU A 40 -13.154 -2.200 -3.732 1.00 0.00 C ATOM 638 OE1 GLU A 40 -12.298 -3.109 -3.741 1.00 0.00 O ATOM 639 OE2 GLU A 40 -14.274 -2.309 -4.273 1.00 0.00 O ATOM 0 H GLU A 40 -11.591 0.926 -0.667 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.288 0.550 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.810 -1.110 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.338 -1.961 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.531 -0.133 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.832 -0.562 -3.347 1.00 0.00 H new ATOM 646 N SER A 41 -13.437 -0.464 1.541 1.00 0.00 N ATOM 647 CA SER A 41 -13.964 -0.925 2.822 1.00 0.00 C ATOM 648 C SER A 41 -14.895 0.118 3.433 1.00 0.00 C ATOM 649 O SER A 41 -15.850 -0.223 4.131 1.00 0.00 O ATOM 650 CB SER A 41 -12.818 -1.231 3.788 1.00 0.00 C ATOM 651 OG SER A 41 -12.142 -2.420 3.416 1.00 0.00 O ATOM 0 H SER A 41 -12.443 -0.235 1.552 1.00 0.00 H new ATOM 0 HA SER A 41 -14.534 -1.837 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.115 -0.398 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.209 -1.332 4.800 1.00 0.00 H new ATOM 0 HG SER A 41 -11.455 -2.211 2.750 1.00 0.00 H new ATOM 657 N LYS A 42 -14.611 1.388 3.165 1.00 0.00 N ATOM 658 CA LYS A 42 -15.423 2.480 3.691 1.00 0.00 C ATOM 659 C LYS A 42 -16.601 2.781 2.767 1.00 0.00 C ATOM 660 O LYS A 42 -17.595 3.372 3.190 1.00 0.00 O ATOM 661 CB LYS A 42 -14.567 3.736 3.873 1.00 0.00 C ATOM 662 CG LYS A 42 -14.856 4.487 5.162 1.00 0.00 C ATOM 663 CD LYS A 42 -13.778 5.516 5.462 1.00 0.00 C ATOM 664 CE LYS A 42 -13.438 5.551 6.943 1.00 0.00 C ATOM 665 NZ LYS A 42 -12.156 6.263 7.200 1.00 0.00 N ATOM 0 H LYS A 42 -13.825 1.687 2.587 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.817 2.172 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.514 3.454 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.733 4.404 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.823 4.984 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.925 3.780 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.882 5.283 4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.115 6.502 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.243 6.043 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.371 4.532 7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.959 6.266 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.384 5.779 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.229 7.243 6.859 1.00 0.00 H new ATOM 679 N GLY A 43 -16.486 2.373 1.506 1.00 0.00 N ATOM 680 CA GLY A 43 -17.551 2.612 0.550 1.00 0.00 C ATOM 681 C GLY A 43 -18.733 1.684 0.754 1.00 0.00 C ATOM 682 O GLY A 43 -18.577 0.573 1.261 1.00 0.00 O ATOM 0 H GLY A 43 -15.675 1.882 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -17.886 3.646 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -17.163 2.484 -0.461 1.00 0.00 H new ATOM 686 N GLU A 44 -19.917 2.142 0.359 1.00 0.00 N ATOM 687 CA GLU A 44 -21.130 1.345 0.500 1.00 0.00 C ATOM 688 C GLU A 44 -21.992 1.441 -0.754 1.00 0.00 C ATOM 689 O GLU A 44 -21.735 2.263 -1.634 1.00 0.00 O ATOM 690 CB GLU A 44 -21.929 1.808 1.721 1.00 0.00 C ATOM 691 CG GLU A 44 -22.616 0.673 2.464 1.00 0.00 C ATOM 692 CD GLU A 44 -23.078 1.081 3.849 1.00 0.00 C ATOM 693 OE1 GLU A 44 -22.224 1.184 4.754 1.00 0.00 O ATOM 694 OE2 GLU A 44 -24.296 1.297 4.029 1.00 0.00 O ATOM 0 H GLU A 44 -20.062 3.060 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 44 -20.838 0.304 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -21.260 2.328 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -22.681 2.529 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -23.474 0.331 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -21.930 -0.170 2.547 1.00 0.00 H new ATOM 701 N SER A 45 -23.017 0.598 -0.828 1.00 0.00 N ATOM 702 CA SER A 45 -23.917 0.590 -1.975 1.00 0.00 C ATOM 703 C SER A 45 -25.105 1.515 -1.740 1.00 0.00 C ATOM 704 O SER A 45 -25.483 2.296 -2.613 1.00 0.00 O ATOM 705 CB SER A 45 -24.407 -0.833 -2.257 1.00 0.00 C ATOM 706 OG SER A 45 -23.744 -1.386 -3.381 1.00 0.00 O ATOM 0 H SER A 45 -23.245 -0.088 -0.108 1.00 0.00 H new ATOM 0 HA SER A 45 -23.365 0.953 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.234 -1.461 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 45 -25.483 -0.823 -2.434 1.00 0.00 H new ATOM 0 HG SER A 45 -24.073 -2.295 -3.540 1.00 0.00 H new ATOM 712 N GLU A 46 -25.689 1.420 -0.553 1.00 0.00 N ATOM 713 CA GLU A 46 -26.837 2.247 -0.193 1.00 0.00 C ATOM 714 C GLU A 46 -27.976 2.064 -1.192 1.00 0.00 C ATOM 715 O GLU A 46 -27.935 2.601 -2.299 1.00 0.00 O ATOM 716 CB GLU A 46 -26.430 3.720 -0.130 1.00 0.00 C ATOM 717 CG GLU A 46 -25.878 4.141 1.223 1.00 0.00 C ATOM 718 CD GLU A 46 -26.428 5.475 1.688 1.00 0.00 C ATOM 719 OE1 GLU A 46 -27.653 5.567 1.909 1.00 0.00 O ATOM 720 OE2 GLU A 46 -25.632 6.427 1.831 1.00 0.00 O ATOM 0 H GLU A 46 -25.387 0.778 0.180 1.00 0.00 H new ATOM 0 HA GLU A 46 -27.187 1.931 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -25.679 3.914 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -27.296 4.338 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -26.116 3.376 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -24.791 4.201 1.165 1.00 0.00 H new ATOM 727 N VAL A 47 -28.990 1.304 -0.794 1.00 0.00 N ATOM 728 CA VAL A 47 -30.139 1.051 -1.655 1.00 0.00 C ATOM 729 C VAL A 47 -30.980 2.310 -1.832 1.00 0.00 C ATOM 730 O VAL A 47 -30.758 3.317 -1.160 1.00 0.00 O ATOM 731 CB VAL A 47 -31.030 -0.070 -1.087 1.00 0.00 C ATOM 732 CG1 VAL A 47 -30.340 -1.419 -1.219 1.00 0.00 C ATOM 733 CG2 VAL A 47 -31.387 0.214 0.364 1.00 0.00 C ATOM 0 H VAL A 47 -29.040 0.852 0.119 1.00 0.00 H new ATOM 0 HA VAL A 47 -29.746 0.739 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.954 -0.102 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -30.984 -2.199 -0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -30.141 -1.625 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -29.399 -1.402 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -32.017 -0.589 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -30.475 0.275 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -31.926 1.160 0.428 1.00 0.00 H new ATOM 743 N SER A 48 -31.949 2.246 -2.740 1.00 0.00 N ATOM 744 CA SER A 48 -32.826 3.381 -3.004 1.00 0.00 C ATOM 745 C SER A 48 -33.994 2.976 -3.904 1.00 0.00 C ATOM 746 O SER A 48 -35.155 3.141 -3.530 1.00 0.00 O ATOM 747 CB SER A 48 -32.037 4.528 -3.643 1.00 0.00 C ATOM 748 OG SER A 48 -31.895 5.612 -2.743 1.00 0.00 O ATOM 0 H SER A 48 -32.147 1.420 -3.305 1.00 0.00 H new ATOM 0 HA SER A 48 -33.233 3.721 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 48 -31.053 4.172 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 48 -32.546 4.865 -4.546 1.00 0.00 H new ATOM 0 HG SER A 48 -31.501 5.292 -1.905 1.00 0.00 H new ATOM 754 N PRO A 49 -33.706 2.438 -5.105 1.00 0.00 N ATOM 755 CA PRO A 49 -34.751 2.013 -6.043 1.00 0.00 C ATOM 756 C PRO A 49 -35.716 1.014 -5.416 1.00 0.00 C ATOM 757 O PRO A 49 -36.934 1.182 -5.487 1.00 0.00 O ATOM 758 CB PRO A 49 -33.969 1.355 -7.184 1.00 0.00 C ATOM 759 CG PRO A 49 -32.604 1.943 -7.101 1.00 0.00 C ATOM 760 CD PRO A 49 -32.354 2.198 -5.642 1.00 0.00 C ATOM 0 HA PRO A 49 -35.371 2.850 -6.365 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -33.940 0.271 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -34.430 1.562 -8.150 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -31.859 1.261 -7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -32.541 2.867 -7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -31.875 1.345 -5.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -31.702 3.058 -5.490 1.00 0.00 H new ATOM 768 N GLN A 50 -35.164 -0.026 -4.800 1.00 0.00 N ATOM 769 CA GLN A 50 -35.976 -1.055 -4.158 1.00 0.00 C ATOM 770 C GLN A 50 -35.930 -0.912 -2.640 1.00 0.00 C ATOM 771 O GLN A 50 -36.979 -1.128 -1.995 1.00 0.00 O ATOM 772 CB GLN A 50 -35.489 -2.446 -4.565 1.00 0.00 C ATOM 773 CG GLN A 50 -35.642 -2.733 -6.051 1.00 0.00 C ATOM 774 CD GLN A 50 -34.309 -2.860 -6.763 1.00 0.00 C ATOM 775 OE1 GLN A 50 -33.849 -1.923 -7.417 1.00 0.00 O ATOM 776 NE2 GLN A 50 -33.679 -4.022 -6.639 1.00 0.00 N ATOM 777 OXT GLN A 50 -34.848 -0.588 -2.109 1.00 0.00 O ATOM 0 H GLN A 50 -34.158 -0.179 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 50 -37.007 -0.928 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -34.440 -2.550 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -36.043 -3.196 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -36.209 -3.655 -6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -36.222 -1.934 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -34.096 -4.772 -6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -32.778 -4.165 -7.095 1.00 0.00 H new TER 786 GLN A 50