USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 839 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 Single : A 4 LYS NZ :NH3+ -149:sc= 0.00673 (180deg=-1.06) USER MOD Single : A 10 SER OG : rot -178:sc= 0.558 USER MOD Single : A 11 SER OG : rot -28:sc= -1.89! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 86:sc= 0.0345 USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0.349 (180deg=0.345) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.616 (180deg=0.475) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.409 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= -0.771 (180deg=-2.53!) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00773) USER MOD Single : A 40 LYS NZ :NH3+ -138:sc= -0.308 (180deg=-2.12!) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 1.03 (180deg=-0.0569) USER MOD Single : A 47 GLN : amide:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0.479 (180deg=0.262) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 83 LYS NZ :NH3+ 148:sc= 0.07 (180deg=-1.22!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.0443 X(o=0.044,f=-0.051) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 1.222 9.937 -9.575 1.00 41.05 N ATOM 39 CA LYS A 4 1.747 9.338 -8.332 1.00 42.40 C ATOM 40 C LYS A 4 0.942 8.086 -7.978 1.00 43.54 C ATOM 41 O LYS A 4 -0.240 7.985 -8.312 1.00 52.24 O ATOM 42 CB LYS A 4 1.686 10.370 -7.158 1.00 65.41 C ATOM 43 CG LYS A 4 2.489 9.967 -5.885 1.00 12.20 C ATOM 44 CD LYS A 4 2.215 10.841 -4.634 1.00 21.14 C ATOM 45 CE LYS A 4 2.062 12.351 -4.911 1.00 34.02 C ATOM 46 NZ LYS A 4 3.281 12.964 -5.522 1.00 1.32 N ATOM 0 HA LYS A 4 2.789 9.058 -8.490 1.00 42.40 H new ATOM 0 HB2 LYS A 4 2.060 11.329 -7.517 1.00 65.41 H new ATOM 0 HB3 LYS A 4 0.643 10.519 -6.879 1.00 65.41 H new ATOM 0 HG2 LYS A 4 2.259 8.929 -5.642 1.00 12.20 H new ATOM 0 HG3 LYS A 4 3.553 10.012 -6.116 1.00 12.20 H new ATOM 0 HD2 LYS A 4 1.306 10.482 -4.151 1.00 21.14 H new ATOM 0 HD3 LYS A 4 3.030 10.698 -3.925 1.00 21.14 H new ATOM 0 HE2 LYS A 4 1.212 12.508 -5.576 1.00 34.02 H new ATOM 0 HE3 LYS A 4 1.835 12.864 -3.977 1.00 34.02 H new ATOM 0 HZ1 LYS A 4 3.359 13.956 -5.220 1.00 1.32 H new ATOM 0 HZ2 LYS A 4 4.125 12.441 -5.213 1.00 1.32 H new ATOM 0 HZ3 LYS A 4 3.208 12.922 -6.559 1.00 1.32 H new ATOM 60 N ILE A 5 1.616 7.121 -7.348 1.00 14.34 N ATOM 61 CA ILE A 5 0.977 6.013 -6.633 1.00 71.24 C ATOM 62 C ILE A 5 1.723 5.826 -5.300 1.00 35.45 C ATOM 63 O ILE A 5 2.939 6.067 -5.212 1.00 5.14 O ATOM 64 CB ILE A 5 0.955 4.647 -7.435 1.00 34.43 C ATOM 65 CG1 ILE A 5 2.398 4.133 -7.749 1.00 64.42 C ATOM 66 CG2 ILE A 5 0.113 4.757 -8.730 1.00 60.11 C ATOM 67 CD1 ILE A 5 2.450 2.756 -8.398 1.00 70.33 C ATOM 0 H ILE A 5 2.635 7.087 -7.320 1.00 14.34 H new ATOM 0 HA ILE A 5 -0.070 6.276 -6.485 1.00 71.24 H new ATOM 0 HB ILE A 5 0.477 3.911 -6.789 1.00 34.43 H new ATOM 0 HG12 ILE A 5 2.890 4.850 -8.406 1.00 64.42 H new ATOM 0 HG13 ILE A 5 2.970 4.106 -6.822 1.00 64.42 H new ATOM 0 HG21 ILE A 5 0.122 3.800 -9.252 1.00 60.11 H new ATOM 0 HG22 ILE A 5 -0.913 5.022 -8.475 1.00 60.11 H new ATOM 0 HG23 ILE A 5 0.537 5.527 -9.375 1.00 60.11 H new ATOM 0 HD11 ILE A 5 3.488 2.479 -8.580 1.00 70.33 H new ATOM 0 HD12 ILE A 5 1.990 2.024 -7.735 1.00 70.33 H new ATOM 0 HD13 ILE A 5 1.909 2.779 -9.344 1.00 70.33 H new ATOM 79 N ILE A 6 0.986 5.426 -4.268 1.00 3.44 N ATOM 80 CA ILE A 6 1.554 5.115 -2.950 1.00 71.32 C ATOM 81 C ILE A 6 1.335 3.625 -2.690 1.00 22.54 C ATOM 82 O ILE A 6 0.278 3.088 -2.999 1.00 31.11 O ATOM 83 CB ILE A 6 0.910 5.991 -1.804 1.00 62.34 C ATOM 84 CG1 ILE A 6 1.263 7.508 -1.980 1.00 50.12 C ATOM 85 CG2 ILE A 6 1.321 5.493 -0.399 1.00 23.04 C ATOM 86 CD1 ILE A 6 2.739 7.864 -1.877 1.00 72.20 C ATOM 0 H ILE A 6 -0.026 5.306 -4.317 1.00 3.44 H new ATOM 0 HA ILE A 6 2.618 5.352 -2.948 1.00 71.32 H new ATOM 0 HB ILE A 6 -0.171 5.881 -1.889 1.00 62.34 H new ATOM 0 HG12 ILE A 6 0.897 7.836 -2.953 1.00 50.12 H new ATOM 0 HG13 ILE A 6 0.718 8.077 -1.227 1.00 50.12 H new ATOM 0 HG21 ILE A 6 0.857 6.122 0.360 1.00 23.04 H new ATOM 0 HG22 ILE A 6 0.991 4.463 -0.267 1.00 23.04 H new ATOM 0 HG23 ILE A 6 2.405 5.543 -0.298 1.00 23.04 H new ATOM 0 HD11 ILE A 6 2.865 8.938 -2.014 1.00 72.20 H new ATOM 0 HD12 ILE A 6 3.115 7.577 -0.895 1.00 72.20 H new ATOM 0 HD13 ILE A 6 3.296 7.332 -2.648 1.00 72.20 H new ATOM 98 N VAL A 7 2.354 2.974 -2.133 1.00 33.35 N ATOM 99 CA VAL A 7 2.321 1.551 -1.802 1.00 51.23 C ATOM 100 C VAL A 7 2.481 1.433 -0.286 1.00 72.53 C ATOM 101 O VAL A 7 3.508 1.835 0.263 1.00 15.22 O ATOM 102 CB VAL A 7 3.445 0.739 -2.550 1.00 22.43 C ATOM 103 CG1 VAL A 7 3.412 -0.749 -2.139 1.00 35.15 C ATOM 104 CG2 VAL A 7 3.314 0.900 -4.089 1.00 52.03 C ATOM 0 H VAL A 7 3.237 3.426 -1.896 1.00 33.35 H new ATOM 0 HA VAL A 7 1.374 1.122 -2.129 1.00 51.23 H new ATOM 0 HB VAL A 7 4.412 1.146 -2.255 1.00 22.43 H new ATOM 0 HG11 VAL A 7 4.197 -1.290 -2.668 1.00 35.15 H new ATOM 0 HG12 VAL A 7 3.574 -0.833 -1.064 1.00 35.15 H new ATOM 0 HG13 VAL A 7 2.442 -1.176 -2.394 1.00 35.15 H new ATOM 0 HG21 VAL A 7 4.101 0.330 -4.583 1.00 52.03 H new ATOM 0 HG22 VAL A 7 2.341 0.530 -4.412 1.00 52.03 H new ATOM 0 HG23 VAL A 7 3.408 1.953 -4.354 1.00 52.03 H new ATOM 114 N ILE A 8 1.446 0.911 0.381 1.00 22.31 N ATOM 115 CA ILE A 8 1.411 0.797 1.841 1.00 21.33 C ATOM 116 C ILE A 8 1.580 -0.676 2.238 1.00 31.12 C ATOM 117 O ILE A 8 0.847 -1.552 1.777 1.00 11.33 O ATOM 118 CB ILE A 8 0.091 1.422 2.441 1.00 11.23 C ATOM 119 CG1 ILE A 8 0.057 2.957 2.128 1.00 30.25 C ATOM 120 CG2 ILE A 8 -0.030 1.152 3.961 1.00 52.12 C ATOM 121 CD1 ILE A 8 -1.102 3.736 2.718 1.00 50.42 C ATOM 0 H ILE A 8 0.608 0.555 -0.078 1.00 22.31 H new ATOM 0 HA ILE A 8 2.237 1.369 2.263 1.00 21.33 H new ATOM 0 HB ILE A 8 -0.769 0.944 1.972 1.00 11.23 H new ATOM 0 HG12 ILE A 8 0.986 3.400 2.487 1.00 30.25 H new ATOM 0 HG13 ILE A 8 0.040 3.085 1.046 1.00 30.25 H new ATOM 0 HG21 ILE A 8 -0.951 1.597 4.337 1.00 52.12 H new ATOM 0 HG22 ILE A 8 -0.048 0.077 4.139 1.00 52.12 H new ATOM 0 HG23 ILE A 8 0.823 1.591 4.478 1.00 52.12 H new ATOM 0 HD11 ILE A 8 -1.018 4.785 2.434 1.00 50.42 H new ATOM 0 HD12 ILE A 8 -2.041 3.332 2.341 1.00 50.42 H new ATOM 0 HD13 ILE A 8 -1.081 3.652 3.805 1.00 50.42 H new ATOM 133 N ILE A 9 2.549 -0.905 3.125 1.00 33.25 N ATOM 134 CA ILE A 9 2.973 -2.220 3.577 1.00 22.02 C ATOM 135 C ILE A 9 2.152 -2.522 4.843 1.00 61.45 C ATOM 136 O ILE A 9 2.481 -2.072 5.952 1.00 35.13 O ATOM 137 CB ILE A 9 4.536 -2.262 3.853 1.00 50.43 C ATOM 138 CG1 ILE A 9 5.375 -2.129 2.523 1.00 20.12 C ATOM 139 CG2 ILE A 9 4.948 -3.536 4.641 1.00 55.52 C ATOM 140 CD1 ILE A 9 5.361 -0.766 1.825 1.00 4.23 C ATOM 0 H ILE A 9 3.076 -0.149 3.561 1.00 33.25 H new ATOM 0 HA ILE A 9 2.796 -2.978 2.814 1.00 22.02 H new ATOM 0 HB ILE A 9 4.765 -1.396 4.475 1.00 50.43 H new ATOM 0 HG12 ILE A 9 6.411 -2.383 2.749 1.00 20.12 H new ATOM 0 HG13 ILE A 9 5.011 -2.875 1.817 1.00 20.12 H new ATOM 0 HG21 ILE A 9 6.025 -3.527 4.810 1.00 55.52 H new ATOM 0 HG22 ILE A 9 4.431 -3.554 5.600 1.00 55.52 H new ATOM 0 HG23 ILE A 9 4.678 -4.422 4.067 1.00 55.52 H new ATOM 0 HD11 ILE A 9 5.976 -0.811 0.926 1.00 4.23 H new ATOM 0 HD12 ILE A 9 4.338 -0.507 1.552 1.00 4.23 H new ATOM 0 HD13 ILE A 9 5.760 -0.008 2.499 1.00 4.23 H new ATOM 152 N SER A 10 1.030 -3.206 4.633 1.00 23.14 N ATOM 153 CA SER A 10 0.061 -3.493 5.680 1.00 11.14 C ATOM 154 C SER A 10 0.423 -4.810 6.389 1.00 52.01 C ATOM 155 O SER A 10 0.253 -5.907 5.832 1.00 14.03 O ATOM 156 CB SER A 10 -1.341 -3.568 5.071 1.00 15.24 C ATOM 157 OG SER A 10 -2.294 -3.858 6.062 1.00 44.13 O ATOM 0 H SER A 10 0.768 -3.579 3.721 1.00 23.14 H new ATOM 0 HA SER A 10 0.078 -2.694 6.421 1.00 11.14 H new ATOM 0 HB2 SER A 10 -1.586 -2.621 4.589 1.00 15.24 H new ATOM 0 HB3 SER A 10 -1.367 -4.336 4.297 1.00 15.24 H new ATOM 0 HG SER A 10 -3.180 -3.934 5.651 1.00 44.13 H new ATOM 163 N SER A 11 0.967 -4.676 7.605 1.00 51.20 N ATOM 164 CA SER A 11 1.356 -5.808 8.454 1.00 55.52 C ATOM 165 C SER A 11 0.670 -5.667 9.827 1.00 2.32 C ATOM 166 O SER A 11 1.035 -4.780 10.613 1.00 30.12 O ATOM 167 CB SER A 11 2.893 -5.825 8.604 1.00 10.41 C ATOM 168 OG SER A 11 3.531 -5.730 7.343 1.00 31.44 O ATOM 0 H SER A 11 1.151 -3.768 8.031 1.00 51.20 H new ATOM 0 HA SER A 11 1.041 -6.749 8.002 1.00 55.52 H new ATOM 0 HB2 SER A 11 3.209 -4.996 9.238 1.00 10.41 H new ATOM 0 HB3 SER A 11 3.202 -6.743 9.103 1.00 10.41 H new ATOM 0 HG SER A 11 2.949 -6.111 6.653 1.00 31.44 H new ATOM 174 N ASP A 12 -0.354 -6.513 10.062 1.00 13.44 N ATOM 175 CA ASP A 12 -1.130 -6.593 11.327 1.00 53.45 C ATOM 176 C ASP A 12 -2.099 -5.394 11.480 1.00 51.43 C ATOM 177 O ASP A 12 -3.328 -5.562 11.395 1.00 62.11 O ATOM 178 CB ASP A 12 -0.206 -6.758 12.583 1.00 15.32 C ATOM 179 CG ASP A 12 -0.967 -6.757 13.923 1.00 13.32 C ATOM 180 OD1 ASP A 12 -1.649 -7.759 14.229 1.00 71.23 O ATOM 181 OD2 ASP A 12 -0.869 -5.764 14.686 1.00 41.23 O ATOM 0 H ASP A 12 -0.677 -7.180 9.361 1.00 13.44 H new ATOM 0 HA ASP A 12 -1.737 -7.496 11.266 1.00 53.45 H new ATOM 0 HB2 ASP A 12 0.350 -7.691 12.493 1.00 15.32 H new ATOM 0 HB3 ASP A 12 0.526 -5.951 12.592 1.00 15.32 H new ATOM 186 N ASP A 13 -1.528 -4.194 11.685 1.00 52.23 N ATOM 187 CA ASP A 13 -2.283 -2.948 11.937 1.00 14.13 C ATOM 188 C ASP A 13 -3.209 -2.553 10.757 1.00 12.21 C ATOM 189 O ASP A 13 -2.922 -2.834 9.586 1.00 51.40 O ATOM 190 CB ASP A 13 -1.297 -1.794 12.264 1.00 13.23 C ATOM 191 CG ASP A 13 -2.003 -0.438 12.447 1.00 21.41 C ATOM 192 OD1 ASP A 13 -2.680 -0.236 13.478 1.00 23.44 O ATOM 193 OD2 ASP A 13 -1.907 0.421 11.545 1.00 53.45 O ATOM 0 H ASP A 13 -0.517 -4.058 11.681 1.00 52.23 H new ATOM 0 HA ASP A 13 -2.934 -3.132 12.792 1.00 14.13 H new ATOM 0 HB2 ASP A 13 -0.748 -2.038 13.174 1.00 13.23 H new ATOM 0 HB3 ASP A 13 -0.564 -1.711 11.462 1.00 13.23 H new ATOM 198 N THR A 14 -4.322 -1.888 11.112 1.00 31.03 N ATOM 199 CA THR A 14 -5.397 -1.499 10.190 1.00 64.03 C ATOM 200 C THR A 14 -5.347 0.018 9.832 1.00 43.04 C ATOM 201 O THR A 14 -5.843 0.425 8.773 1.00 33.34 O ATOM 202 CB THR A 14 -6.767 -1.865 10.849 1.00 1.44 C ATOM 203 OG1 THR A 14 -6.739 -3.238 11.296 1.00 74.41 O ATOM 204 CG2 THR A 14 -7.951 -1.670 9.896 1.00 14.43 C ATOM 0 H THR A 14 -4.501 -1.600 12.074 1.00 31.03 H new ATOM 0 HA THR A 14 -5.269 -2.041 9.253 1.00 64.03 H new ATOM 0 HB THR A 14 -6.908 -1.188 11.692 1.00 1.44 H new ATOM 0 HG1 THR A 14 -7.598 -3.465 11.710 1.00 74.41 H new ATOM 0 HG21 THR A 14 -8.876 -1.939 10.406 1.00 14.43 H new ATOM 0 HG22 THR A 14 -7.999 -0.627 9.584 1.00 14.43 H new ATOM 0 HG23 THR A 14 -7.821 -2.305 9.020 1.00 14.43 H new ATOM 212 N THR A 15 -4.728 0.844 10.710 1.00 31.51 N ATOM 213 CA THR A 15 -4.636 2.320 10.520 1.00 65.22 C ATOM 214 C THR A 15 -3.835 2.680 9.240 1.00 1.11 C ATOM 215 O THR A 15 -4.049 3.731 8.632 1.00 64.34 O ATOM 216 CB THR A 15 -3.961 2.997 11.759 1.00 42.45 C ATOM 217 OG1 THR A 15 -4.500 2.438 12.978 1.00 42.30 O ATOM 218 CG2 THR A 15 -4.155 4.529 11.767 1.00 73.45 C ATOM 0 H THR A 15 -4.280 0.513 11.565 1.00 31.51 H new ATOM 0 HA THR A 15 -5.654 2.694 10.411 1.00 65.22 H new ATOM 0 HB THR A 15 -2.891 2.798 11.694 1.00 42.45 H new ATOM 0 HG1 THR A 15 -4.000 1.630 13.216 1.00 42.30 H new ATOM 0 HG21 THR A 15 -3.669 4.953 12.646 1.00 73.45 H new ATOM 0 HG22 THR A 15 -3.714 4.956 10.867 1.00 73.45 H new ATOM 0 HG23 THR A 15 -5.220 4.761 11.794 1.00 73.45 H new ATOM 226 N LEU A 16 -2.932 1.768 8.853 1.00 12.51 N ATOM 227 CA LEU A 16 -2.152 1.847 7.595 1.00 22.41 C ATOM 228 C LEU A 16 -3.095 1.909 6.370 1.00 33.51 C ATOM 229 O LEU A 16 -2.934 2.742 5.470 1.00 4.52 O ATOM 230 CB LEU A 16 -1.239 0.594 7.506 1.00 20.44 C ATOM 231 CG LEU A 16 -0.166 0.463 8.637 1.00 24.14 C ATOM 232 CD1 LEU A 16 0.260 -1.006 8.847 1.00 2.12 C ATOM 233 CD2 LEU A 16 1.049 1.374 8.357 1.00 64.30 C ATOM 0 H LEU A 16 -2.715 0.940 9.408 1.00 12.51 H new ATOM 0 HA LEU A 16 -1.547 2.753 7.595 1.00 22.41 H new ATOM 0 HB2 LEU A 16 -1.869 -0.295 7.522 1.00 20.44 H new ATOM 0 HB3 LEU A 16 -0.728 0.606 6.543 1.00 20.44 H new ATOM 0 HG LEU A 16 -0.623 0.800 9.568 1.00 24.14 H new ATOM 0 HD11 LEU A 16 1.006 -1.059 9.640 1.00 2.12 H new ATOM 0 HD12 LEU A 16 -0.610 -1.601 9.127 1.00 2.12 H new ATOM 0 HD13 LEU A 16 0.685 -1.397 7.923 1.00 2.12 H new ATOM 0 HD21 LEU A 16 1.779 1.263 9.159 1.00 64.30 H new ATOM 0 HD22 LEU A 16 1.505 1.091 7.409 1.00 64.30 H new ATOM 0 HD23 LEU A 16 0.721 2.412 8.306 1.00 64.30 H new ATOM 245 N GLU A 17 -4.106 1.028 6.404 1.00 64.13 N ATOM 246 CA GLU A 17 -5.109 0.858 5.335 1.00 61.23 C ATOM 247 C GLU A 17 -6.184 1.968 5.429 1.00 73.01 C ATOM 248 O GLU A 17 -6.788 2.359 4.420 1.00 12.31 O ATOM 249 CB GLU A 17 -5.778 -0.537 5.490 1.00 42.43 C ATOM 250 CG GLU A 17 -4.803 -1.697 5.810 1.00 34.51 C ATOM 251 CD GLU A 17 -5.501 -2.967 6.332 1.00 62.31 C ATOM 252 OE1 GLU A 17 -6.411 -2.853 7.179 1.00 75.12 O ATOM 253 OE2 GLU A 17 -5.149 -4.083 5.908 1.00 54.45 O ATOM 0 H GLU A 17 -4.255 0.398 7.192 1.00 64.13 H new ATOM 0 HA GLU A 17 -4.620 0.929 4.363 1.00 61.23 H new ATOM 0 HB2 GLU A 17 -6.524 -0.480 6.283 1.00 42.43 H new ATOM 0 HB3 GLU A 17 -6.310 -0.773 4.568 1.00 42.43 H new ATOM 0 HG2 GLU A 17 -4.241 -1.946 4.910 1.00 34.51 H new ATOM 0 HG3 GLU A 17 -4.081 -1.358 6.553 1.00 34.51 H new ATOM 260 N GLU A 18 -6.416 2.453 6.666 1.00 44.33 N ATOM 261 CA GLU A 18 -7.390 3.515 6.979 1.00 61.52 C ATOM 262 C GLU A 18 -6.944 4.824 6.295 1.00 60.42 C ATOM 263 O GLU A 18 -7.721 5.473 5.578 1.00 62.20 O ATOM 264 CB GLU A 18 -7.460 3.673 8.535 1.00 12.24 C ATOM 265 CG GLU A 18 -8.712 4.361 9.127 1.00 43.43 C ATOM 266 CD GLU A 18 -8.925 5.828 8.704 1.00 53.23 C ATOM 267 OE1 GLU A 18 -8.136 6.704 9.111 1.00 15.34 O ATOM 268 OE2 GLU A 18 -9.893 6.113 7.970 1.00 72.24 O ATOM 0 H GLU A 18 -5.922 2.110 7.490 1.00 44.33 H new ATOM 0 HA GLU A 18 -8.383 3.263 6.608 1.00 61.52 H new ATOM 0 HB2 GLU A 18 -7.381 2.680 8.978 1.00 12.24 H new ATOM 0 HB3 GLU A 18 -6.583 4.236 8.856 1.00 12.24 H new ATOM 0 HG2 GLU A 18 -9.592 3.786 8.838 1.00 43.43 H new ATOM 0 HG3 GLU A 18 -8.648 4.320 10.214 1.00 43.43 H new ATOM 275 N LEU A 19 -5.656 5.155 6.502 1.00 5.44 N ATOM 276 CA LEU A 19 -5.016 6.357 5.951 1.00 33.31 C ATOM 277 C LEU A 19 -4.901 6.280 4.413 1.00 1.30 C ATOM 278 O LEU A 19 -4.956 7.305 3.744 1.00 72.01 O ATOM 279 CB LEU A 19 -3.616 6.558 6.612 1.00 53.35 C ATOM 280 CG LEU A 19 -3.636 6.900 8.142 1.00 31.03 C ATOM 281 CD1 LEU A 19 -2.218 6.865 8.762 1.00 23.53 C ATOM 282 CD2 LEU A 19 -4.328 8.256 8.396 1.00 65.31 C ATOM 0 H LEU A 19 -5.025 4.585 7.065 1.00 5.44 H new ATOM 0 HA LEU A 19 -5.641 7.220 6.181 1.00 33.31 H new ATOM 0 HB2 LEU A 19 -3.032 5.649 6.468 1.00 53.35 H new ATOM 0 HB3 LEU A 19 -3.096 7.358 6.085 1.00 53.35 H new ATOM 0 HG LEU A 19 -4.219 6.126 8.641 1.00 31.03 H new ATOM 0 HD11 LEU A 19 -2.279 7.108 9.823 1.00 23.53 H new ATOM 0 HD12 LEU A 19 -1.793 5.869 8.642 1.00 23.53 H new ATOM 0 HD13 LEU A 19 -1.583 7.594 8.259 1.00 23.53 H new ATOM 0 HD21 LEU A 19 -4.329 8.470 9.465 1.00 65.31 H new ATOM 0 HD22 LEU A 19 -3.790 9.044 7.869 1.00 65.31 H new ATOM 0 HD23 LEU A 19 -5.355 8.214 8.034 1.00 65.31 H new ATOM 294 N ALA A 20 -4.786 5.046 3.878 1.00 12.34 N ATOM 295 CA ALA A 20 -4.695 4.780 2.419 1.00 53.11 C ATOM 296 C ALA A 20 -5.847 5.434 1.625 1.00 33.40 C ATOM 297 O ALA A 20 -5.645 5.935 0.510 1.00 11.40 O ATOM 298 CB ALA A 20 -4.674 3.265 2.170 1.00 31.12 C ATOM 0 H ALA A 20 -4.753 4.199 4.446 1.00 12.34 H new ATOM 0 HA ALA A 20 -3.768 5.229 2.062 1.00 53.11 H new ATOM 0 HB1 ALA A 20 -4.607 3.073 1.099 1.00 31.12 H new ATOM 0 HB2 ALA A 20 -3.812 2.826 2.672 1.00 31.12 H new ATOM 0 HB3 ALA A 20 -5.588 2.819 2.562 1.00 31.12 H new ATOM 304 N ARG A 21 -7.046 5.423 2.236 1.00 32.42 N ATOM 305 CA ARG A 21 -8.264 6.065 1.690 1.00 62.41 C ATOM 306 C ARG A 21 -8.084 7.596 1.568 1.00 73.53 C ATOM 307 O ARG A 21 -8.505 8.206 0.574 1.00 0.31 O ATOM 308 CB ARG A 21 -9.479 5.706 2.602 1.00 65.13 C ATOM 309 CG ARG A 21 -10.828 6.345 2.198 1.00 54.21 C ATOM 310 CD ARG A 21 -12.014 5.839 3.043 1.00 24.03 C ATOM 311 NE ARG A 21 -11.818 6.035 4.496 1.00 64.33 N ATOM 312 CZ ARG A 21 -12.766 6.440 5.361 1.00 12.22 C ATOM 313 NH1 ARG A 21 -14.002 6.718 4.947 1.00 3.43 N ATOM 314 NH2 ARG A 21 -12.477 6.552 6.650 1.00 45.44 N ATOM 0 H ARG A 21 -7.202 4.964 3.133 1.00 32.42 H new ATOM 0 HA ARG A 21 -8.449 5.689 0.684 1.00 62.41 H new ATOM 0 HB2 ARG A 21 -9.598 4.623 2.609 1.00 65.13 H new ATOM 0 HB3 ARG A 21 -9.246 6.007 3.623 1.00 65.13 H new ATOM 0 HG2 ARG A 21 -10.755 7.428 2.298 1.00 54.21 H new ATOM 0 HG3 ARG A 21 -11.023 6.134 1.146 1.00 54.21 H new ATOM 0 HD2 ARG A 21 -12.921 6.357 2.732 1.00 24.03 H new ATOM 0 HD3 ARG A 21 -12.168 4.779 2.843 1.00 24.03 H new ATOM 0 HE ARG A 21 -10.889 5.848 4.873 1.00 64.33 H new ATOM 0 HH11 ARG A 21 -14.242 6.625 3.960 1.00 3.43 H new ATOM 0 HH12 ARG A 21 -14.708 7.024 5.617 1.00 3.43 H new ATOM 0 HH21 ARG A 21 -11.539 6.331 6.983 1.00 45.44 H new ATOM 0 HH22 ARG A 21 -13.193 6.859 7.308 1.00 45.44 H new ATOM 328 N LYS A 22 -7.398 8.181 2.566 1.00 52.21 N ATOM 329 CA LYS A 22 -7.154 9.636 2.653 1.00 12.20 C ATOM 330 C LYS A 22 -6.090 10.068 1.622 1.00 74.25 C ATOM 331 O LYS A 22 -6.234 11.126 0.993 1.00 4.41 O ATOM 332 CB LYS A 22 -6.724 10.042 4.105 1.00 51.21 C ATOM 333 CG LYS A 22 -7.869 10.116 5.152 1.00 55.55 C ATOM 334 CD LYS A 22 -8.632 8.786 5.331 1.00 62.32 C ATOM 335 CE LYS A 22 -9.812 8.905 6.304 1.00 42.33 C ATOM 336 NZ LYS A 22 -9.364 9.133 7.708 1.00 51.41 N ATOM 0 H LYS A 22 -6.994 7.656 3.341 1.00 52.21 H new ATOM 0 HA LYS A 22 -8.084 10.155 2.421 1.00 12.20 H new ATOM 0 HB2 LYS A 22 -5.981 9.327 4.457 1.00 51.21 H new ATOM 0 HB3 LYS A 22 -6.234 11.015 4.060 1.00 51.21 H new ATOM 0 HG2 LYS A 22 -7.452 10.418 6.113 1.00 55.55 H new ATOM 0 HG3 LYS A 22 -8.574 10.892 4.853 1.00 55.55 H new ATOM 0 HD2 LYS A 22 -8.999 8.449 4.361 1.00 62.32 H new ATOM 0 HD3 LYS A 22 -7.943 8.023 5.694 1.00 62.32 H new ATOM 0 HE2 LYS A 22 -10.456 9.727 5.992 1.00 42.33 H new ATOM 0 HE3 LYS A 22 -10.411 7.996 6.259 1.00 42.33 H new ATOM 0 HZ1 LYS A 22 -10.195 9.241 8.324 1.00 51.41 H new ATOM 0 HZ2 LYS A 22 -8.798 8.321 8.028 1.00 51.41 H new ATOM 0 HZ3 LYS A 22 -8.786 9.996 7.752 1.00 51.41 H new ATOM 350 N ILE A 23 -5.029 9.240 1.444 1.00 64.34 N ATOM 351 CA ILE A 23 -3.962 9.505 0.455 1.00 5.43 C ATOM 352 C ILE A 23 -4.561 9.577 -0.976 1.00 71.13 C ATOM 353 O ILE A 23 -4.449 10.614 -1.640 1.00 1.43 O ATOM 354 CB ILE A 23 -2.784 8.430 0.531 1.00 31.34 C ATOM 355 CG1 ILE A 23 -1.760 8.735 1.686 1.00 55.30 C ATOM 356 CG2 ILE A 23 -2.023 8.306 -0.815 1.00 5.33 C ATOM 357 CD1 ILE A 23 -2.249 8.514 3.105 1.00 43.45 C ATOM 0 H ILE A 23 -4.893 8.381 1.977 1.00 64.34 H new ATOM 0 HA ILE A 23 -3.520 10.470 0.701 1.00 5.43 H new ATOM 0 HB ILE A 23 -3.271 7.480 0.750 1.00 31.34 H new ATOM 0 HG12 ILE A 23 -0.877 8.116 1.530 1.00 55.30 H new ATOM 0 HG13 ILE A 23 -1.442 9.773 1.593 1.00 55.30 H new ATOM 0 HG21 ILE A 23 -1.230 7.564 -0.718 1.00 5.33 H new ATOM 0 HG22 ILE A 23 -2.716 7.997 -1.598 1.00 5.33 H new ATOM 0 HG23 ILE A 23 -1.587 9.270 -1.077 1.00 5.33 H new ATOM 0 HD11 ILE A 23 -1.452 8.759 3.807 1.00 43.45 H new ATOM 0 HD12 ILE A 23 -3.111 9.154 3.297 1.00 43.45 H new ATOM 0 HD13 ILE A 23 -2.537 7.470 3.232 1.00 43.45 H new ATOM 369 N LYS A 24 -5.249 8.492 -1.411 1.00 52.03 N ATOM 370 CA LYS A 24 -5.767 8.373 -2.801 1.00 12.54 C ATOM 371 C LYS A 24 -6.864 9.402 -3.125 1.00 23.34 C ATOM 372 O LYS A 24 -7.156 9.648 -4.303 1.00 71.20 O ATOM 373 CB LYS A 24 -6.261 6.945 -3.131 1.00 52.03 C ATOM 374 CG LYS A 24 -7.431 6.407 -2.279 1.00 42.54 C ATOM 375 CD LYS A 24 -8.100 5.164 -2.928 1.00 22.43 C ATOM 376 CE LYS A 24 -7.088 4.091 -3.367 1.00 30.13 C ATOM 377 NZ LYS A 24 -7.741 2.934 -4.042 1.00 75.51 N ATOM 0 H LYS A 24 -5.459 7.687 -0.821 1.00 52.03 H new ATOM 0 HA LYS A 24 -4.911 8.591 -3.439 1.00 12.54 H new ATOM 0 HB2 LYS A 24 -6.563 6.922 -4.178 1.00 52.03 H new ATOM 0 HB3 LYS A 24 -5.420 6.260 -3.026 1.00 52.03 H new ATOM 0 HG2 LYS A 24 -7.066 6.145 -1.286 1.00 42.54 H new ATOM 0 HG3 LYS A 24 -8.175 7.192 -2.148 1.00 42.54 H new ATOM 0 HD2 LYS A 24 -8.801 4.724 -2.218 1.00 22.43 H new ATOM 0 HD3 LYS A 24 -8.681 5.482 -3.794 1.00 22.43 H new ATOM 0 HE2 LYS A 24 -6.359 4.538 -4.043 1.00 30.13 H new ATOM 0 HE3 LYS A 24 -6.538 3.736 -2.495 1.00 30.13 H new ATOM 0 HZ1 LYS A 24 -7.013 2.315 -4.452 1.00 75.51 H new ATOM 0 HZ2 LYS A 24 -8.300 2.398 -3.348 1.00 75.51 H new ATOM 0 HZ3 LYS A 24 -8.366 3.280 -4.797 1.00 75.51 H new ATOM 391 N ASP A 25 -7.471 9.975 -2.070 1.00 74.31 N ATOM 392 CA ASP A 25 -8.509 11.026 -2.192 1.00 50.03 C ATOM 393 C ASP A 25 -7.998 12.267 -2.976 1.00 14.05 C ATOM 394 O ASP A 25 -8.803 13.012 -3.545 1.00 45.10 O ATOM 395 CB ASP A 25 -9.010 11.437 -0.780 1.00 65.03 C ATOM 396 CG ASP A 25 -10.212 12.409 -0.809 1.00 4.43 C ATOM 397 OD1 ASP A 25 -11.337 11.957 -1.120 1.00 61.41 O ATOM 398 OD2 ASP A 25 -10.041 13.619 -0.531 1.00 5.22 O ATOM 0 H ASP A 25 -7.258 9.725 -1.104 1.00 74.31 H new ATOM 0 HA ASP A 25 -9.339 10.610 -2.764 1.00 50.03 H new ATOM 0 HB2 ASP A 25 -9.292 10.540 -0.228 1.00 65.03 H new ATOM 0 HB3 ASP A 25 -8.190 11.903 -0.234 1.00 65.03 H new ATOM 403 N GLU A 26 -6.657 12.465 -3.030 1.00 53.32 N ATOM 404 CA GLU A 26 -6.024 13.563 -3.813 1.00 13.22 C ATOM 405 C GLU A 26 -6.140 13.341 -5.338 1.00 14.21 C ATOM 406 O GLU A 26 -6.063 14.301 -6.118 1.00 13.35 O ATOM 407 CB GLU A 26 -4.529 13.714 -3.424 1.00 64.43 C ATOM 408 CG GLU A 26 -4.276 14.060 -1.948 1.00 42.43 C ATOM 409 CD GLU A 26 -4.944 15.374 -1.517 1.00 73.44 C ATOM 410 OE1 GLU A 26 -4.415 16.455 -1.849 1.00 52.31 O ATOM 411 OE2 GLU A 26 -6.001 15.335 -0.849 1.00 72.24 O ATOM 0 H GLU A 26 -5.986 11.875 -2.537 1.00 53.32 H new ATOM 0 HA GLU A 26 -6.565 14.477 -3.567 1.00 13.22 H new ATOM 0 HB2 GLU A 26 -4.012 12.783 -3.658 1.00 64.43 H new ATOM 0 HB3 GLU A 26 -4.084 14.491 -4.046 1.00 64.43 H new ATOM 0 HG2 GLU A 26 -4.646 13.248 -1.322 1.00 42.43 H new ATOM 0 HG3 GLU A 26 -3.202 14.131 -1.776 1.00 42.43 H new ATOM 418 N GLY A 27 -6.318 12.074 -5.746 1.00 11.52 N ATOM 419 CA GLY A 27 -6.481 11.708 -7.160 1.00 21.31 C ATOM 420 C GLY A 27 -5.370 10.795 -7.661 1.00 21.34 C ATOM 421 O GLY A 27 -4.915 10.924 -8.803 1.00 4.24 O ATOM 0 H GLY A 27 -6.353 11.279 -5.108 1.00 11.52 H new ATOM 0 HA2 GLY A 27 -7.442 11.212 -7.294 1.00 21.31 H new ATOM 0 HA3 GLY A 27 -6.502 12.614 -7.766 1.00 21.31 H new ATOM 425 N LEU A 28 -4.926 9.867 -6.800 1.00 35.22 N ATOM 426 CA LEU A 28 -3.951 8.815 -7.165 1.00 43.25 C ATOM 427 C LEU A 28 -4.485 7.429 -6.757 1.00 13.04 C ATOM 428 O LEU A 28 -5.588 7.321 -6.210 1.00 21.42 O ATOM 429 CB LEU A 28 -2.549 9.076 -6.540 1.00 55.25 C ATOM 430 CG LEU A 28 -2.449 9.134 -4.979 1.00 31.03 C ATOM 431 CD1 LEU A 28 -1.003 8.876 -4.504 1.00 2.14 C ATOM 432 CD2 LEU A 28 -2.957 10.485 -4.433 1.00 2.24 C ATOM 0 H LEU A 28 -5.231 9.820 -5.828 1.00 35.22 H new ATOM 0 HA LEU A 28 -3.826 8.840 -8.248 1.00 43.25 H new ATOM 0 HB2 LEU A 28 -1.875 8.295 -6.891 1.00 55.25 H new ATOM 0 HB3 LEU A 28 -2.176 10.021 -6.936 1.00 55.25 H new ATOM 0 HG LEU A 28 -3.088 8.344 -4.584 1.00 31.03 H new ATOM 0 HD11 LEU A 28 -0.964 8.922 -3.416 1.00 2.14 H new ATOM 0 HD12 LEU A 28 -0.681 7.889 -4.837 1.00 2.14 H new ATOM 0 HD13 LEU A 28 -0.342 9.634 -4.924 1.00 2.14 H new ATOM 0 HD21 LEU A 28 -2.874 10.493 -3.346 1.00 2.24 H new ATOM 0 HD22 LEU A 28 -2.357 11.294 -4.848 1.00 2.24 H new ATOM 0 HD23 LEU A 28 -4.000 10.624 -4.718 1.00 2.24 H new ATOM 444 N GLU A 29 -3.722 6.365 -7.082 1.00 14.42 N ATOM 445 CA GLU A 29 -4.026 4.984 -6.655 1.00 73.23 C ATOM 446 C GLU A 29 -3.127 4.577 -5.469 1.00 63.50 C ATOM 447 O GLU A 29 -2.005 5.075 -5.330 1.00 30.35 O ATOM 448 CB GLU A 29 -3.827 4.016 -7.859 1.00 60.22 C ATOM 449 CG GLU A 29 -4.135 2.525 -7.583 1.00 60.34 C ATOM 450 CD GLU A 29 -5.580 2.276 -7.093 1.00 74.30 C ATOM 451 OE1 GLU A 29 -6.523 2.494 -7.880 1.00 5.01 O ATOM 452 OE2 GLU A 29 -5.772 1.886 -5.918 1.00 64.55 O ATOM 0 H GLU A 29 -2.877 6.440 -7.648 1.00 14.42 H new ATOM 0 HA GLU A 29 -5.063 4.928 -6.323 1.00 73.23 H new ATOM 0 HB2 GLU A 29 -4.461 4.352 -8.680 1.00 60.22 H new ATOM 0 HB3 GLU A 29 -2.795 4.097 -8.199 1.00 60.22 H new ATOM 0 HG2 GLU A 29 -3.965 1.952 -8.494 1.00 60.34 H new ATOM 0 HG3 GLU A 29 -3.436 2.150 -6.835 1.00 60.34 H new ATOM 459 N VAL A 30 -3.641 3.673 -4.605 1.00 34.14 N ATOM 460 CA VAL A 30 -2.871 3.072 -3.500 1.00 50.04 C ATOM 461 C VAL A 30 -2.857 1.536 -3.643 1.00 43.33 C ATOM 462 O VAL A 30 -3.903 0.901 -3.833 1.00 43.04 O ATOM 463 CB VAL A 30 -3.416 3.477 -2.071 1.00 12.13 C ATOM 464 CG1 VAL A 30 -2.661 2.728 -0.943 1.00 62.13 C ATOM 465 CG2 VAL A 30 -3.330 5.004 -1.859 1.00 71.34 C ATOM 0 H VAL A 30 -4.604 3.341 -4.657 1.00 34.14 H new ATOM 0 HA VAL A 30 -1.857 3.465 -3.572 1.00 50.04 H new ATOM 0 HB VAL A 30 -4.464 3.182 -2.026 1.00 12.13 H new ATOM 0 HG11 VAL A 30 -3.061 3.030 0.025 1.00 62.13 H new ATOM 0 HG12 VAL A 30 -2.791 1.653 -1.070 1.00 62.13 H new ATOM 0 HG13 VAL A 30 -1.600 2.974 -0.990 1.00 62.13 H new ATOM 0 HG21 VAL A 30 -3.711 5.256 -0.869 1.00 71.34 H new ATOM 0 HG22 VAL A 30 -2.291 5.325 -1.941 1.00 71.34 H new ATOM 0 HG23 VAL A 30 -3.927 5.511 -2.617 1.00 71.34 H new ATOM 475 N TYR A 31 -1.652 0.965 -3.513 1.00 3.44 N ATOM 476 CA TYR A 31 -1.403 -0.474 -3.597 1.00 21.44 C ATOM 477 C TYR A 31 -1.101 -0.999 -2.189 1.00 23.12 C ATOM 478 O TYR A 31 -0.092 -0.633 -1.588 1.00 64.54 O ATOM 479 CB TYR A 31 -0.215 -0.749 -4.554 1.00 22.44 C ATOM 480 CG TYR A 31 -0.534 -0.536 -6.046 1.00 25.44 C ATOM 481 CD1 TYR A 31 -0.469 0.729 -6.646 1.00 34.54 C ATOM 482 CD2 TYR A 31 -0.915 -1.611 -6.852 1.00 23.13 C ATOM 483 CE1 TYR A 31 -0.767 0.896 -7.990 1.00 72.35 C ATOM 484 CE2 TYR A 31 -1.214 -1.442 -8.185 1.00 71.21 C ATOM 485 CZ TYR A 31 -1.142 -0.192 -8.748 1.00 35.55 C ATOM 486 OH TYR A 31 -1.453 -0.028 -10.078 1.00 34.11 O ATOM 0 H TYR A 31 -0.805 1.507 -3.342 1.00 3.44 H new ATOM 0 HA TYR A 31 -2.280 -0.987 -3.993 1.00 21.44 H new ATOM 0 HB2 TYR A 31 0.616 -0.100 -4.277 1.00 22.44 H new ATOM 0 HB3 TYR A 31 0.121 -1.776 -4.410 1.00 22.44 H new ATOM 0 HD1 TYR A 31 -0.183 1.585 -6.053 1.00 34.54 H new ATOM 0 HD2 TYR A 31 -0.977 -2.599 -6.419 1.00 23.13 H new ATOM 0 HE1 TYR A 31 -0.705 1.875 -8.441 1.00 72.35 H new ATOM 0 HE2 TYR A 31 -1.505 -2.291 -8.786 1.00 71.21 H new ATOM 0 HH TYR A 31 -1.696 -0.894 -10.466 1.00 34.11 H new ATOM 496 N ILE A 32 -1.990 -1.848 -1.667 1.00 24.30 N ATOM 497 CA ILE A 32 -1.841 -2.419 -0.325 1.00 53.41 C ATOM 498 C ILE A 32 -1.108 -3.762 -0.439 1.00 24.32 C ATOM 499 O ILE A 32 -1.554 -4.654 -1.154 1.00 61.13 O ATOM 500 CB ILE A 32 -3.236 -2.620 0.382 1.00 54.31 C ATOM 501 CG1 ILE A 32 -4.036 -1.278 0.474 1.00 32.30 C ATOM 502 CG2 ILE A 32 -3.067 -3.250 1.786 1.00 5.33 C ATOM 503 CD1 ILE A 32 -3.391 -0.199 1.331 1.00 74.11 C ATOM 0 H ILE A 32 -2.828 -2.158 -2.159 1.00 24.30 H new ATOM 0 HA ILE A 32 -1.265 -1.725 0.288 1.00 53.41 H new ATOM 0 HB ILE A 32 -3.812 -3.310 -0.235 1.00 54.31 H new ATOM 0 HG12 ILE A 32 -4.174 -0.886 -0.534 1.00 32.30 H new ATOM 0 HG13 ILE A 32 -5.028 -1.491 0.872 1.00 32.30 H new ATOM 0 HG21 ILE A 32 -4.046 -3.376 2.248 1.00 5.33 H new ATOM 0 HG22 ILE A 32 -2.582 -4.222 1.693 1.00 5.33 H new ATOM 0 HG23 ILE A 32 -2.454 -2.596 2.407 1.00 5.33 H new ATOM 0 HD11 ILE A 32 -4.021 0.690 1.331 1.00 74.11 H new ATOM 0 HD12 ILE A 32 -3.278 -0.564 2.352 1.00 74.11 H new ATOM 0 HD13 ILE A 32 -2.411 0.051 0.925 1.00 74.11 H new ATOM 515 N LEU A 33 0.036 -3.888 0.237 1.00 21.44 N ATOM 516 CA LEU A 33 0.790 -5.142 0.301 1.00 22.04 C ATOM 517 C LEU A 33 0.504 -5.810 1.642 1.00 73.20 C ATOM 518 O LEU A 33 1.019 -5.383 2.681 1.00 63.41 O ATOM 519 CB LEU A 33 2.305 -4.880 0.088 1.00 63.45 C ATOM 520 CG LEU A 33 2.688 -4.271 -1.296 1.00 23.32 C ATOM 521 CD1 LEU A 33 4.220 -4.196 -1.478 1.00 73.11 C ATOM 522 CD2 LEU A 33 2.017 -5.041 -2.453 1.00 62.14 C ATOM 0 H LEU A 33 0.466 -3.123 0.756 1.00 21.44 H new ATOM 0 HA LEU A 33 0.477 -5.814 -0.498 1.00 22.04 H new ATOM 0 HB2 LEU A 33 2.654 -4.208 0.872 1.00 63.45 H new ATOM 0 HB3 LEU A 33 2.841 -5.821 0.213 1.00 63.45 H new ATOM 0 HG LEU A 33 2.309 -3.249 -1.320 1.00 23.32 H new ATOM 0 HD11 LEU A 33 4.450 -3.767 -2.453 1.00 73.11 H new ATOM 0 HD12 LEU A 33 4.649 -3.570 -0.696 1.00 73.11 H new ATOM 0 HD13 LEU A 33 4.644 -5.198 -1.414 1.00 73.11 H new ATOM 0 HD21 LEU A 33 2.304 -4.592 -3.404 1.00 62.14 H new ATOM 0 HD22 LEU A 33 2.339 -6.082 -2.432 1.00 62.14 H new ATOM 0 HD23 LEU A 33 0.934 -4.994 -2.342 1.00 62.14 H new ATOM 534 N LEU A 34 -0.348 -6.844 1.607 1.00 20.12 N ATOM 535 CA LEU A 34 -0.798 -7.541 2.812 1.00 1.14 C ATOM 536 C LEU A 34 0.227 -8.654 3.084 1.00 64.31 C ATOM 537 O LEU A 34 0.426 -9.539 2.235 1.00 25.11 O ATOM 538 CB LEU A 34 -2.247 -8.112 2.587 1.00 41.10 C ATOM 539 CG LEU A 34 -3.213 -8.121 3.824 1.00 54.21 C ATOM 540 CD1 LEU A 34 -2.750 -9.088 4.939 1.00 54.21 C ATOM 541 CD2 LEU A 34 -3.419 -6.692 4.377 1.00 40.23 C ATOM 0 H LEU A 34 -0.742 -7.217 0.743 1.00 20.12 H new ATOM 0 HA LEU A 34 -0.856 -6.875 3.673 1.00 1.14 H new ATOM 0 HB2 LEU A 34 -2.719 -7.533 1.794 1.00 41.10 H new ATOM 0 HB3 LEU A 34 -2.154 -9.135 2.223 1.00 41.10 H new ATOM 0 HG LEU A 34 -4.173 -8.495 3.467 1.00 54.21 H new ATOM 0 HD11 LEU A 34 -3.456 -9.052 5.768 1.00 54.21 H new ATOM 0 HD12 LEU A 34 -2.705 -10.103 4.545 1.00 54.21 H new ATOM 0 HD13 LEU A 34 -1.762 -8.791 5.291 1.00 54.21 H new ATOM 0 HD21 LEU A 34 -4.092 -6.727 5.233 1.00 40.23 H new ATOM 0 HD22 LEU A 34 -2.459 -6.280 4.687 1.00 40.23 H new ATOM 0 HD23 LEU A 34 -3.851 -6.060 3.601 1.00 40.23 H new ATOM 553 N LYS A 35 0.892 -8.589 4.248 1.00 3.52 N ATOM 554 CA LYS A 35 1.918 -9.572 4.625 1.00 62.04 C ATOM 555 C LYS A 35 1.306 -10.569 5.604 1.00 52.34 C ATOM 556 O LYS A 35 0.937 -10.203 6.728 1.00 34.43 O ATOM 557 CB LYS A 35 3.130 -8.847 5.277 1.00 45.44 C ATOM 558 CG LYS A 35 3.860 -7.849 4.351 1.00 2.32 C ATOM 559 CD LYS A 35 5.068 -7.140 5.019 1.00 23.54 C ATOM 560 CE LYS A 35 6.307 -8.024 5.219 1.00 22.43 C ATOM 561 NZ LYS A 35 6.133 -9.105 6.238 1.00 32.31 N ATOM 0 H LYS A 35 0.736 -7.862 4.947 1.00 3.52 H new ATOM 0 HA LYS A 35 2.270 -10.102 3.740 1.00 62.04 H new ATOM 0 HB2 LYS A 35 2.784 -8.314 6.162 1.00 45.44 H new ATOM 0 HB3 LYS A 35 3.845 -9.597 5.616 1.00 45.44 H new ATOM 0 HG2 LYS A 35 4.207 -8.379 3.464 1.00 2.32 H new ATOM 0 HG3 LYS A 35 3.149 -7.094 4.014 1.00 2.32 H new ATOM 0 HD2 LYS A 35 5.348 -6.280 4.411 1.00 23.54 H new ATOM 0 HD3 LYS A 35 4.754 -6.755 5.989 1.00 23.54 H new ATOM 0 HE2 LYS A 35 6.572 -8.479 4.265 1.00 22.43 H new ATOM 0 HE3 LYS A 35 7.145 -7.393 5.515 1.00 22.43 H new ATOM 0 HZ1 LYS A 35 7.025 -9.241 6.755 1.00 32.31 H new ATOM 0 HZ2 LYS A 35 5.383 -8.835 6.906 1.00 32.31 H new ATOM 0 HZ3 LYS A 35 5.870 -9.992 5.762 1.00 32.31 H new ATOM 575 N ASP A 36 1.184 -11.823 5.162 1.00 74.42 N ATOM 576 CA ASP A 36 0.678 -12.924 5.994 1.00 13.42 C ATOM 577 C ASP A 36 1.490 -14.201 5.708 1.00 13.21 C ATOM 578 O ASP A 36 2.164 -14.285 4.671 1.00 21.21 O ATOM 579 CB ASP A 36 -0.836 -13.117 5.741 1.00 42.53 C ATOM 580 CG ASP A 36 -1.573 -13.805 6.895 1.00 62.21 C ATOM 581 OD1 ASP A 36 -1.699 -13.177 7.965 1.00 12.12 O ATOM 582 OD2 ASP A 36 -2.021 -14.960 6.754 1.00 1.10 O ATOM 0 H ASP A 36 1.433 -12.107 4.215 1.00 74.42 H new ATOM 0 HA ASP A 36 0.802 -12.687 7.051 1.00 13.42 H new ATOM 0 HB2 ASP A 36 -1.292 -12.143 5.560 1.00 42.53 H new ATOM 0 HB3 ASP A 36 -0.971 -13.706 4.834 1.00 42.53 H new ATOM 587 N LYS A 37 1.413 -15.182 6.621 1.00 31.02 N ATOM 588 CA LYS A 37 2.117 -16.487 6.481 1.00 50.23 C ATOM 589 C LYS A 37 1.154 -17.604 6.025 1.00 72.10 C ATOM 590 O LYS A 37 1.582 -18.734 5.746 1.00 63.01 O ATOM 591 CB LYS A 37 2.768 -16.896 7.825 1.00 21.31 C ATOM 592 CG LYS A 37 3.789 -15.884 8.381 1.00 74.34 C ATOM 593 CD LYS A 37 4.486 -16.378 9.669 1.00 13.54 C ATOM 594 CE LYS A 37 3.510 -16.644 10.834 1.00 50.45 C ATOM 595 NZ LYS A 37 2.760 -15.420 11.244 1.00 73.40 N ATOM 0 H LYS A 37 0.865 -15.103 7.478 1.00 31.02 H new ATOM 0 HA LYS A 37 2.888 -16.360 5.721 1.00 50.23 H new ATOM 0 HB2 LYS A 37 1.981 -17.041 8.565 1.00 21.31 H new ATOM 0 HB3 LYS A 37 3.264 -17.858 7.695 1.00 21.31 H new ATOM 0 HG2 LYS A 37 4.543 -15.682 7.621 1.00 74.34 H new ATOM 0 HG3 LYS A 37 3.283 -14.941 8.587 1.00 74.34 H new ATOM 0 HD2 LYS A 37 5.033 -17.294 9.448 1.00 13.54 H new ATOM 0 HD3 LYS A 37 5.220 -15.636 9.983 1.00 13.54 H new ATOM 0 HE2 LYS A 37 2.802 -17.419 10.540 1.00 50.45 H new ATOM 0 HE3 LYS A 37 4.066 -17.028 11.689 1.00 50.45 H new ATOM 0 HZ1 LYS A 37 2.156 -15.640 12.062 1.00 73.40 H new ATOM 0 HZ2 LYS A 37 3.433 -14.671 11.502 1.00 73.40 H new ATOM 0 HZ3 LYS A 37 2.167 -15.095 10.454 1.00 73.40 H new ATOM 609 N ASP A 38 -0.145 -17.284 5.960 1.00 44.25 N ATOM 610 CA ASP A 38 -1.219 -18.259 5.674 1.00 14.24 C ATOM 611 C ASP A 38 -2.012 -17.814 4.431 1.00 65.05 C ATOM 612 O ASP A 38 -1.707 -16.768 3.852 1.00 64.20 O ATOM 613 CB ASP A 38 -2.148 -18.382 6.907 1.00 51.50 C ATOM 614 CG ASP A 38 -1.424 -18.899 8.170 1.00 64.54 C ATOM 615 OD1 ASP A 38 -0.753 -18.096 8.860 1.00 54.05 O ATOM 616 OD2 ASP A 38 -1.507 -20.112 8.472 1.00 24.41 O ATOM 0 H ASP A 38 -0.488 -16.335 6.105 1.00 44.25 H new ATOM 0 HA ASP A 38 -0.782 -19.236 5.469 1.00 14.24 H new ATOM 0 HB2 ASP A 38 -2.586 -17.407 7.121 1.00 51.50 H new ATOM 0 HB3 ASP A 38 -2.971 -19.056 6.667 1.00 51.50 H new ATOM 621 N GLU A 39 -3.020 -18.612 4.012 1.00 74.14 N ATOM 622 CA GLU A 39 -3.839 -18.310 2.809 1.00 13.31 C ATOM 623 C GLU A 39 -5.271 -17.875 3.185 1.00 73.44 C ATOM 624 O GLU A 39 -5.860 -17.047 2.492 1.00 62.53 O ATOM 625 CB GLU A 39 -3.885 -19.521 1.820 1.00 21.31 C ATOM 626 CG GLU A 39 -4.729 -20.750 2.254 1.00 20.04 C ATOM 627 CD GLU A 39 -4.102 -21.576 3.391 1.00 33.32 C ATOM 628 OE1 GLU A 39 -4.302 -21.235 4.577 1.00 4.25 O ATOM 629 OE2 GLU A 39 -3.400 -22.567 3.103 1.00 71.53 O ATOM 0 H GLU A 39 -3.289 -19.473 4.489 1.00 74.14 H new ATOM 0 HA GLU A 39 -3.352 -17.476 2.304 1.00 13.31 H new ATOM 0 HB2 GLU A 39 -4.271 -19.165 0.865 1.00 21.31 H new ATOM 0 HB3 GLU A 39 -2.862 -19.856 1.646 1.00 21.31 H new ATOM 0 HG2 GLU A 39 -5.714 -20.407 2.570 1.00 20.04 H new ATOM 0 HG3 GLU A 39 -4.879 -21.397 1.390 1.00 20.04 H new ATOM 636 N LYS A 40 -5.827 -18.449 4.275 1.00 23.54 N ATOM 637 CA LYS A 40 -7.245 -18.242 4.659 1.00 12.10 C ATOM 638 C LYS A 40 -7.496 -16.795 5.140 1.00 61.44 C ATOM 639 O LYS A 40 -8.279 -16.054 4.533 1.00 5.24 O ATOM 640 CB LYS A 40 -7.652 -19.269 5.761 1.00 71.14 C ATOM 641 CG LYS A 40 -7.659 -20.749 5.300 1.00 33.51 C ATOM 642 CD LYS A 40 -7.787 -21.784 6.460 1.00 64.44 C ATOM 643 CE LYS A 40 -9.152 -21.784 7.187 1.00 41.23 C ATOM 644 NZ LYS A 40 -9.378 -20.574 8.038 1.00 61.14 N ATOM 0 H LYS A 40 -5.314 -19.062 4.908 1.00 23.54 H new ATOM 0 HA LYS A 40 -7.864 -18.403 3.777 1.00 12.10 H new ATOM 0 HB2 LYS A 40 -6.966 -19.169 6.602 1.00 71.14 H new ATOM 0 HB3 LYS A 40 -8.646 -19.013 6.127 1.00 71.14 H new ATOM 0 HG2 LYS A 40 -8.485 -20.897 4.605 1.00 33.51 H new ATOM 0 HG3 LYS A 40 -6.740 -20.950 4.750 1.00 33.51 H new ATOM 0 HD2 LYS A 40 -7.606 -22.781 6.059 1.00 64.44 H new ATOM 0 HD3 LYS A 40 -7.003 -21.587 7.191 1.00 64.44 H new ATOM 0 HE2 LYS A 40 -9.949 -21.851 6.446 1.00 41.23 H new ATOM 0 HE3 LYS A 40 -9.222 -22.675 7.811 1.00 41.23 H new ATOM 0 HZ1 LYS A 40 -9.812 -20.859 8.939 1.00 61.14 H new ATOM 0 HZ2 LYS A 40 -8.468 -20.106 8.225 1.00 61.14 H new ATOM 0 HZ3 LYS A 40 -10.011 -19.914 7.542 1.00 61.14 H new ATOM 658 N ARG A 41 -6.780 -16.402 6.202 1.00 33.42 N ATOM 659 CA ARG A 41 -6.906 -15.073 6.844 1.00 61.40 C ATOM 660 C ARG A 41 -6.402 -13.965 5.904 1.00 45.22 C ATOM 661 O ARG A 41 -7.021 -12.895 5.805 1.00 33.13 O ATOM 662 CB ARG A 41 -6.095 -15.086 8.158 1.00 4.33 C ATOM 663 CG ARG A 41 -6.033 -13.763 8.955 1.00 41.13 C ATOM 664 CD ARG A 41 -5.040 -13.873 10.128 1.00 54.22 C ATOM 665 NE ARG A 41 -3.729 -14.373 9.663 1.00 13.44 N ATOM 666 CZ ARG A 41 -2.928 -15.232 10.315 1.00 41.35 C ATOM 667 NH1 ARG A 41 -3.260 -15.741 11.500 1.00 63.11 N ATOM 668 NH2 ARG A 41 -1.801 -15.611 9.741 1.00 54.02 N ATOM 0 H ARG A 41 -6.086 -17.001 6.650 1.00 33.42 H new ATOM 0 HA ARG A 41 -7.954 -14.866 7.060 1.00 61.40 H new ATOM 0 HB2 ARG A 41 -6.514 -15.854 8.808 1.00 4.33 H new ATOM 0 HB3 ARG A 41 -5.075 -15.389 7.924 1.00 4.33 H new ATOM 0 HG2 ARG A 41 -5.733 -12.950 8.294 1.00 41.13 H new ATOM 0 HG3 ARG A 41 -7.024 -13.516 9.335 1.00 41.13 H new ATOM 0 HD2 ARG A 41 -4.916 -12.897 10.598 1.00 54.22 H new ATOM 0 HD3 ARG A 41 -5.441 -14.544 10.888 1.00 54.22 H new ATOM 0 HE ARG A 41 -3.401 -14.033 8.759 1.00 13.44 H new ATOM 0 HH11 ARG A 41 -4.144 -15.481 11.937 1.00 63.11 H new ATOM 0 HH12 ARG A 41 -2.630 -16.391 11.970 1.00 63.11 H new ATOM 0 HH21 ARG A 41 -1.552 -15.252 8.819 1.00 54.02 H new ATOM 0 HH22 ARG A 41 -1.179 -16.263 10.219 1.00 54.02 H new ATOM 682 N LEU A 42 -5.260 -14.247 5.240 1.00 44.14 N ATOM 683 CA LEU A 42 -4.688 -13.394 4.179 1.00 72.43 C ATOM 684 C LEU A 42 -5.732 -13.019 3.113 1.00 11.04 C ATOM 685 O LEU A 42 -6.014 -11.835 2.915 1.00 70.12 O ATOM 686 CB LEU A 42 -3.504 -14.134 3.502 1.00 55.50 C ATOM 687 CG LEU A 42 -2.838 -13.435 2.266 1.00 64.24 C ATOM 688 CD1 LEU A 42 -2.206 -12.072 2.630 1.00 35.25 C ATOM 689 CD2 LEU A 42 -1.816 -14.380 1.600 1.00 22.14 C ATOM 0 H LEU A 42 -4.705 -15.082 5.428 1.00 44.14 H new ATOM 0 HA LEU A 42 -4.343 -12.472 4.646 1.00 72.43 H new ATOM 0 HB2 LEU A 42 -2.733 -14.298 4.254 1.00 55.50 H new ATOM 0 HB3 LEU A 42 -3.855 -15.117 3.187 1.00 55.50 H new ATOM 0 HG LEU A 42 -3.626 -13.220 1.544 1.00 64.24 H new ATOM 0 HD11 LEU A 42 -1.758 -11.629 1.740 1.00 35.25 H new ATOM 0 HD12 LEU A 42 -2.976 -11.406 3.018 1.00 35.25 H new ATOM 0 HD13 LEU A 42 -1.437 -12.218 3.388 1.00 35.25 H new ATOM 0 HD21 LEU A 42 -1.363 -13.880 0.744 1.00 22.14 H new ATOM 0 HD22 LEU A 42 -1.041 -14.643 2.320 1.00 22.14 H new ATOM 0 HD23 LEU A 42 -2.322 -15.286 1.265 1.00 22.14 H new ATOM 701 N GLU A 43 -6.330 -14.051 2.471 1.00 25.44 N ATOM 702 CA GLU A 43 -7.234 -13.857 1.319 1.00 50.11 C ATOM 703 C GLU A 43 -8.517 -13.135 1.743 1.00 51.12 C ATOM 704 O GLU A 43 -9.026 -12.317 0.985 1.00 64.44 O ATOM 705 CB GLU A 43 -7.556 -15.200 0.608 1.00 71.43 C ATOM 706 CG GLU A 43 -8.489 -15.078 -0.627 1.00 23.31 C ATOM 707 CD GLU A 43 -8.632 -16.389 -1.423 1.00 14.32 C ATOM 708 OE1 GLU A 43 -9.281 -17.330 -0.922 1.00 23.20 O ATOM 709 OE2 GLU A 43 -8.072 -16.498 -2.537 1.00 44.12 O ATOM 0 H GLU A 43 -6.200 -15.028 2.735 1.00 25.44 H new ATOM 0 HA GLU A 43 -6.713 -13.226 0.599 1.00 50.11 H new ATOM 0 HB2 GLU A 43 -6.620 -15.662 0.294 1.00 71.43 H new ATOM 0 HB3 GLU A 43 -8.018 -15.875 1.329 1.00 71.43 H new ATOM 0 HG2 GLU A 43 -9.476 -14.754 -0.296 1.00 23.31 H new ATOM 0 HG3 GLU A 43 -8.104 -14.302 -1.288 1.00 23.31 H new ATOM 716 N GLU A 44 -8.978 -13.374 2.992 1.00 75.35 N ATOM 717 CA GLU A 44 -10.158 -12.674 3.535 1.00 33.14 C ATOM 718 C GLU A 44 -9.874 -11.167 3.581 1.00 50.13 C ATOM 719 O GLU A 44 -10.560 -10.381 2.923 1.00 72.35 O ATOM 720 CB GLU A 44 -10.527 -13.188 4.959 1.00 12.42 C ATOM 721 CG GLU A 44 -11.210 -14.563 4.987 1.00 44.22 C ATOM 722 CD GLU A 44 -12.572 -14.575 4.260 1.00 4.05 C ATOM 723 OE1 GLU A 44 -13.556 -14.036 4.814 1.00 45.31 O ATOM 724 OE2 GLU A 44 -12.666 -15.131 3.143 1.00 40.00 O ATOM 0 H GLU A 44 -8.553 -14.041 3.636 1.00 75.35 H new ATOM 0 HA GLU A 44 -11.007 -12.876 2.882 1.00 33.14 H new ATOM 0 HB2 GLU A 44 -9.619 -13.236 5.560 1.00 12.42 H new ATOM 0 HB3 GLU A 44 -11.185 -12.461 5.434 1.00 12.42 H new ATOM 0 HG2 GLU A 44 -10.552 -15.299 4.526 1.00 44.22 H new ATOM 0 HG3 GLU A 44 -11.355 -14.870 6.023 1.00 44.22 H new ATOM 731 N LYS A 45 -8.784 -10.818 4.295 1.00 25.42 N ATOM 732 CA LYS A 45 -8.340 -9.443 4.510 1.00 43.50 C ATOM 733 C LYS A 45 -8.156 -8.675 3.172 1.00 1.13 C ATOM 734 O LYS A 45 -8.639 -7.538 3.026 1.00 42.20 O ATOM 735 CB LYS A 45 -7.007 -9.449 5.315 1.00 71.02 C ATOM 736 CG LYS A 45 -6.637 -8.077 5.899 1.00 22.32 C ATOM 737 CD LYS A 45 -7.656 -7.615 6.966 1.00 53.25 C ATOM 738 CE LYS A 45 -7.498 -6.146 7.336 1.00 5.12 C ATOM 739 NZ LYS A 45 -6.152 -5.832 7.881 1.00 73.31 N ATOM 0 H LYS A 45 -8.181 -11.507 4.744 1.00 25.42 H new ATOM 0 HA LYS A 45 -9.113 -8.923 5.076 1.00 43.50 H new ATOM 0 HB2 LYS A 45 -7.086 -10.171 6.127 1.00 71.02 H new ATOM 0 HB3 LYS A 45 -6.201 -9.787 4.664 1.00 71.02 H new ATOM 0 HG2 LYS A 45 -5.643 -8.127 6.343 1.00 22.32 H new ATOM 0 HG3 LYS A 45 -6.591 -7.341 5.097 1.00 22.32 H new ATOM 0 HD2 LYS A 45 -8.667 -7.785 6.594 1.00 53.25 H new ATOM 0 HD3 LYS A 45 -7.539 -8.225 7.862 1.00 53.25 H new ATOM 0 HE2 LYS A 45 -7.680 -5.532 6.454 1.00 5.12 H new ATOM 0 HE3 LYS A 45 -8.255 -5.878 8.073 1.00 5.12 H new ATOM 0 HZ1 LYS A 45 -6.250 -5.218 8.715 1.00 73.31 H new ATOM 0 HZ2 LYS A 45 -5.674 -6.714 8.155 1.00 73.31 H new ATOM 0 HZ3 LYS A 45 -5.589 -5.344 7.156 1.00 73.31 H new ATOM 753 N ILE A 46 -7.489 -9.351 2.202 1.00 12.54 N ATOM 754 CA ILE A 46 -7.266 -8.831 0.837 1.00 63.15 C ATOM 755 C ILE A 46 -8.611 -8.433 0.182 1.00 72.40 C ATOM 756 O ILE A 46 -8.760 -7.301 -0.283 1.00 35.13 O ATOM 757 CB ILE A 46 -6.491 -9.882 -0.079 1.00 24.24 C ATOM 758 CG1 ILE A 46 -5.014 -10.077 0.420 1.00 4.32 C ATOM 759 CG2 ILE A 46 -6.523 -9.489 -1.583 1.00 32.11 C ATOM 760 CD1 ILE A 46 -4.159 -11.028 -0.413 1.00 2.23 C ATOM 0 H ILE A 46 -7.090 -10.278 2.351 1.00 12.54 H new ATOM 0 HA ILE A 46 -6.638 -7.944 0.924 1.00 63.15 H new ATOM 0 HB ILE A 46 -7.015 -10.833 0.012 1.00 24.24 H new ATOM 0 HG12 ILE A 46 -4.525 -9.103 0.443 1.00 4.32 H new ATOM 0 HG13 ILE A 46 -5.041 -10.445 1.446 1.00 4.32 H new ATOM 0 HG21 ILE A 46 -5.982 -10.235 -2.166 1.00 32.11 H new ATOM 0 HG22 ILE A 46 -7.557 -9.441 -1.925 1.00 32.11 H new ATOM 0 HG23 ILE A 46 -6.052 -8.515 -1.715 1.00 32.11 H new ATOM 0 HD11 ILE A 46 -3.160 -11.091 0.018 1.00 2.23 H new ATOM 0 HD12 ILE A 46 -4.615 -12.018 -0.417 1.00 2.23 H new ATOM 0 HD13 ILE A 46 -4.091 -10.656 -1.435 1.00 2.23 H new ATOM 772 N GLN A 47 -9.601 -9.353 0.215 1.00 54.11 N ATOM 773 CA GLN A 47 -10.916 -9.132 -0.429 1.00 53.04 C ATOM 774 C GLN A 47 -11.738 -8.031 0.277 1.00 3.04 C ATOM 775 O GLN A 47 -12.535 -7.353 -0.375 1.00 62.33 O ATOM 776 CB GLN A 47 -11.750 -10.442 -0.491 1.00 74.51 C ATOM 777 CG GLN A 47 -11.066 -11.633 -1.203 1.00 41.42 C ATOM 778 CD GLN A 47 -10.524 -11.358 -2.611 1.00 41.22 C ATOM 779 OE1 GLN A 47 -9.507 -11.934 -3.009 1.00 14.21 O ATOM 780 NE2 GLN A 47 -11.206 -10.537 -3.399 1.00 1.21 N ATOM 0 H GLN A 47 -9.514 -10.256 0.681 1.00 54.11 H new ATOM 0 HA GLN A 47 -10.701 -8.799 -1.444 1.00 53.04 H new ATOM 0 HB2 GLN A 47 -11.998 -10.743 0.527 1.00 74.51 H new ATOM 0 HB3 GLN A 47 -12.691 -10.230 -0.998 1.00 74.51 H new ATOM 0 HG2 GLN A 47 -10.241 -11.977 -0.579 1.00 41.42 H new ATOM 0 HG3 GLN A 47 -11.782 -12.452 -1.265 1.00 41.42 H new ATOM 0 HE21 GLN A 47 -12.043 -10.072 -3.048 1.00 1.21 H new ATOM 0 HE22 GLN A 47 -10.893 -10.371 -4.355 1.00 1.21 H new ATOM 789 N LYS A 48 -11.536 -7.857 1.604 1.00 72.21 N ATOM 790 CA LYS A 48 -12.243 -6.811 2.386 1.00 25.22 C ATOM 791 C LYS A 48 -11.787 -5.411 1.922 1.00 73.32 C ATOM 792 O LYS A 48 -12.598 -4.492 1.749 1.00 65.43 O ATOM 793 CB LYS A 48 -11.987 -6.965 3.918 1.00 15.32 C ATOM 794 CG LYS A 48 -12.280 -8.358 4.518 1.00 30.21 C ATOM 795 CD LYS A 48 -13.640 -8.957 4.087 1.00 14.03 C ATOM 796 CE LYS A 48 -13.862 -10.369 4.663 1.00 10.41 C ATOM 797 NZ LYS A 48 -15.139 -10.965 4.183 1.00 10.44 N ATOM 0 H LYS A 48 -10.892 -8.424 2.155 1.00 72.21 H new ATOM 0 HA LYS A 48 -13.312 -6.930 2.210 1.00 25.22 H new ATOM 0 HB2 LYS A 48 -10.945 -6.717 4.119 1.00 15.32 H new ATOM 0 HB3 LYS A 48 -12.596 -6.230 4.444 1.00 15.32 H new ATOM 0 HG2 LYS A 48 -11.484 -9.043 4.225 1.00 30.21 H new ATOM 0 HG3 LYS A 48 -12.255 -8.286 5.605 1.00 30.21 H new ATOM 0 HD2 LYS A 48 -14.445 -8.301 4.417 1.00 14.03 H new ATOM 0 HD3 LYS A 48 -13.689 -8.998 2.999 1.00 14.03 H new ATOM 0 HE2 LYS A 48 -13.030 -11.013 4.378 1.00 10.41 H new ATOM 0 HE3 LYS A 48 -13.870 -10.321 5.752 1.00 10.41 H new ATOM 0 HZ1 LYS A 48 -15.254 -11.915 4.591 1.00 10.44 H new ATOM 0 HZ2 LYS A 48 -15.935 -10.363 4.476 1.00 10.44 H new ATOM 0 HZ3 LYS A 48 -15.121 -11.034 3.145 1.00 10.44 H new ATOM 811 N LEU A 49 -10.471 -5.286 1.712 1.00 72.55 N ATOM 812 CA LEU A 49 -9.834 -4.039 1.254 1.00 33.33 C ATOM 813 C LEU A 49 -10.143 -3.761 -0.235 1.00 74.35 C ATOM 814 O LEU A 49 -10.376 -2.613 -0.619 1.00 44.25 O ATOM 815 CB LEU A 49 -8.313 -4.139 1.470 1.00 2.11 C ATOM 816 CG LEU A 49 -7.837 -4.395 2.925 1.00 50.02 C ATOM 817 CD1 LEU A 49 -6.334 -4.744 2.945 1.00 20.24 C ATOM 818 CD2 LEU A 49 -8.175 -3.195 3.836 1.00 60.25 C ATOM 0 H LEU A 49 -9.811 -6.051 1.855 1.00 72.55 H new ATOM 0 HA LEU A 49 -10.237 -3.209 1.835 1.00 33.33 H new ATOM 0 HB2 LEU A 49 -7.931 -4.942 0.839 1.00 2.11 H new ATOM 0 HB3 LEU A 49 -7.857 -3.213 1.119 1.00 2.11 H new ATOM 0 HG LEU A 49 -8.375 -5.254 3.326 1.00 50.02 H new ATOM 0 HD11 LEU A 49 -6.015 -4.921 3.972 1.00 20.24 H new ATOM 0 HD12 LEU A 49 -6.161 -5.642 2.352 1.00 20.24 H new ATOM 0 HD13 LEU A 49 -5.763 -3.916 2.525 1.00 20.24 H new ATOM 0 HD21 LEU A 49 -7.831 -3.400 4.850 1.00 60.25 H new ATOM 0 HD22 LEU A 49 -7.680 -2.301 3.458 1.00 60.25 H new ATOM 0 HD23 LEU A 49 -9.253 -3.036 3.844 1.00 60.25 H new ATOM 830 N LYS A 50 -10.146 -4.823 -1.073 1.00 15.51 N ATOM 831 CA LYS A 50 -10.477 -4.710 -2.511 1.00 32.35 C ATOM 832 C LYS A 50 -11.952 -4.319 -2.706 1.00 70.42 C ATOM 833 O LYS A 50 -12.292 -3.620 -3.666 1.00 64.41 O ATOM 834 CB LYS A 50 -10.178 -6.032 -3.271 1.00 51.55 C ATOM 835 CG LYS A 50 -8.683 -6.417 -3.356 1.00 52.41 C ATOM 836 CD LYS A 50 -8.425 -7.620 -4.295 1.00 71.22 C ATOM 837 CE LYS A 50 -8.791 -7.314 -5.754 1.00 0.20 C ATOM 838 NZ LYS A 50 -8.466 -8.442 -6.673 1.00 12.24 N ATOM 0 H LYS A 50 -9.922 -5.772 -0.775 1.00 15.51 H new ATOM 0 HA LYS A 50 -9.844 -3.925 -2.926 1.00 32.35 H new ATOM 0 HB2 LYS A 50 -10.719 -6.843 -2.784 1.00 51.55 H new ATOM 0 HB3 LYS A 50 -10.574 -5.948 -4.283 1.00 51.55 H new ATOM 0 HG2 LYS A 50 -8.111 -5.558 -3.708 1.00 52.41 H new ATOM 0 HG3 LYS A 50 -8.317 -6.656 -2.358 1.00 52.41 H new ATOM 0 HD2 LYS A 50 -7.374 -7.902 -4.239 1.00 71.22 H new ATOM 0 HD3 LYS A 50 -9.004 -8.477 -3.950 1.00 71.22 H new ATOM 0 HE2 LYS A 50 -9.856 -7.092 -5.819 1.00 0.20 H new ATOM 0 HE3 LYS A 50 -8.259 -6.420 -6.079 1.00 0.20 H new ATOM 0 HZ1 LYS A 50 -8.732 -8.185 -7.645 1.00 12.24 H new ATOM 0 HZ2 LYS A 50 -7.446 -8.639 -6.634 1.00 12.24 H new ATOM 0 HZ3 LYS A 50 -8.993 -9.290 -6.382 1.00 12.24 H new ATOM 852 N SER A 51 -12.810 -4.783 -1.784 1.00 34.24 N ATOM 853 CA SER A 51 -14.232 -4.392 -1.724 1.00 51.44 C ATOM 854 C SER A 51 -14.386 -2.861 -1.536 1.00 31.20 C ATOM 855 O SER A 51 -15.298 -2.249 -2.096 1.00 25.01 O ATOM 856 CB SER A 51 -14.931 -5.164 -0.577 1.00 2.25 C ATOM 857 OG SER A 51 -16.307 -4.829 -0.460 1.00 40.53 O ATOM 0 H SER A 51 -12.538 -5.443 -1.055 1.00 34.24 H new ATOM 0 HA SER A 51 -14.708 -4.651 -2.670 1.00 51.44 H new ATOM 0 HB2 SER A 51 -14.834 -6.236 -0.752 1.00 2.25 H new ATOM 0 HB3 SER A 51 -14.426 -4.948 0.364 1.00 2.25 H new ATOM 0 HG SER A 51 -16.707 -5.340 0.274 1.00 40.53 H new ATOM 863 N GLN A 52 -13.458 -2.261 -0.758 1.00 14.34 N ATOM 864 CA GLN A 52 -13.387 -0.790 -0.549 1.00 32.20 C ATOM 865 C GLN A 52 -12.786 -0.071 -1.782 1.00 31.11 C ATOM 866 O GLN A 52 -12.869 1.158 -1.891 1.00 61.02 O ATOM 867 CB GLN A 52 -12.537 -0.467 0.708 1.00 61.11 C ATOM 868 CG GLN A 52 -13.006 -1.155 2.002 1.00 74.12 C ATOM 869 CD GLN A 52 -12.085 -0.907 3.207 1.00 34.24 C ATOM 870 OE1 GLN A 52 -10.776 -0.838 2.978 1.00 14.50 O flip ATOM 871 NE2 GLN A 52 -12.545 -0.823 4.345 1.00 23.42 N flip ATOM 0 H GLN A 52 -12.736 -2.778 -0.256 1.00 14.34 H new ATOM 0 HA GLN A 52 -14.405 -0.427 -0.404 1.00 32.20 H new ATOM 0 HB2 GLN A 52 -11.504 -0.756 0.514 1.00 61.11 H new ATOM 0 HB3 GLN A 52 -12.542 0.612 0.865 1.00 61.11 H new ATOM 0 HG2 GLN A 52 -14.009 -0.805 2.245 1.00 74.12 H new ATOM 0 HG3 GLN A 52 -13.077 -2.228 1.826 1.00 74.12 H new ATOM 0 HE21 GLN A 52 -13.553 -0.879 4.493 1.00 23.42 H new ATOM 0 HE22 GLN A 52 -11.919 -0.697 5.140 1.00 23.42 H new ATOM 880 N GLY A 53 -12.158 -0.852 -2.683 1.00 33.33 N ATOM 881 CA GLY A 53 -11.562 -0.331 -3.917 1.00 10.42 C ATOM 882 C GLY A 53 -10.082 -0.024 -3.750 1.00 51.41 C ATOM 883 O GLY A 53 -9.649 1.103 -3.984 1.00 63.23 O ATOM 0 H GLY A 53 -12.053 -1.860 -2.571 1.00 33.33 H new ATOM 0 HA2 GLY A 53 -11.693 -1.058 -4.718 1.00 10.42 H new ATOM 0 HA3 GLY A 53 -12.088 0.574 -4.219 1.00 10.42 H new ATOM 887 N PHE A 54 -9.310 -1.035 -3.299 1.00 33.51 N ATOM 888 CA PHE A 54 -7.835 -0.956 -3.181 1.00 32.12 C ATOM 889 C PHE A 54 -7.182 -2.088 -3.990 1.00 72.43 C ATOM 890 O PHE A 54 -7.682 -3.225 -3.999 1.00 1.42 O ATOM 891 CB PHE A 54 -7.380 -1.047 -1.693 1.00 54.23 C ATOM 892 CG PHE A 54 -7.750 0.168 -0.841 1.00 64.14 C ATOM 893 CD1 PHE A 54 -6.949 1.309 -0.847 1.00 43.11 C ATOM 894 CD2 PHE A 54 -8.896 0.176 -0.048 1.00 10.14 C ATOM 895 CE1 PHE A 54 -7.284 2.412 -0.084 1.00 71.33 C ATOM 896 CE2 PHE A 54 -9.227 1.283 0.712 1.00 4.35 C ATOM 897 CZ PHE A 54 -8.422 2.399 0.691 1.00 25.15 C ATOM 0 H PHE A 54 -9.692 -1.934 -3.005 1.00 33.51 H new ATOM 0 HA PHE A 54 -7.518 0.009 -3.578 1.00 32.12 H new ATOM 0 HB2 PHE A 54 -7.822 -1.937 -1.245 1.00 54.23 H new ATOM 0 HB3 PHE A 54 -6.298 -1.179 -1.664 1.00 54.23 H new ATOM 0 HD1 PHE A 54 -6.056 1.331 -1.455 1.00 43.11 H new ATOM 0 HD2 PHE A 54 -9.535 -0.695 -0.027 1.00 10.14 H new ATOM 0 HE1 PHE A 54 -6.651 3.287 -0.096 1.00 71.33 H new ATOM 0 HE2 PHE A 54 -10.118 1.272 1.322 1.00 4.35 H new ATOM 0 HZ PHE A 54 -8.683 3.264 1.282 1.00 25.15 H new ATOM 907 N GLU A 55 -6.052 -1.770 -4.651 1.00 23.22 N ATOM 908 CA GLU A 55 -5.242 -2.752 -5.383 1.00 64.23 C ATOM 909 C GLU A 55 -4.341 -3.511 -4.389 1.00 55.21 C ATOM 910 O GLU A 55 -3.203 -3.113 -4.132 1.00 64.04 O ATOM 911 CB GLU A 55 -4.407 -2.051 -6.496 1.00 21.04 C ATOM 912 CG GLU A 55 -5.239 -1.406 -7.623 1.00 62.12 C ATOM 913 CD GLU A 55 -6.083 -2.434 -8.399 1.00 62.40 C ATOM 914 OE1 GLU A 55 -5.498 -3.234 -9.166 1.00 61.34 O ATOM 915 OE2 GLU A 55 -7.321 -2.477 -8.226 1.00 43.02 O ATOM 0 H GLU A 55 -5.678 -0.822 -4.690 1.00 23.22 H new ATOM 0 HA GLU A 55 -5.896 -3.472 -5.876 1.00 64.23 H new ATOM 0 HB2 GLU A 55 -3.788 -1.281 -6.035 1.00 21.04 H new ATOM 0 HB3 GLU A 55 -3.730 -2.783 -6.937 1.00 21.04 H new ATOM 0 HG2 GLU A 55 -5.897 -0.649 -7.196 1.00 62.12 H new ATOM 0 HG3 GLU A 55 -4.571 -0.894 -8.315 1.00 62.12 H new ATOM 922 N VAL A 56 -4.895 -4.578 -3.784 1.00 64.05 N ATOM 923 CA VAL A 56 -4.205 -5.364 -2.737 1.00 14.20 C ATOM 924 C VAL A 56 -3.524 -6.589 -3.356 1.00 33.24 C ATOM 925 O VAL A 56 -4.123 -7.285 -4.180 1.00 64.32 O ATOM 926 CB VAL A 56 -5.187 -5.826 -1.600 1.00 43.21 C ATOM 927 CG1 VAL A 56 -4.426 -6.406 -0.378 1.00 23.21 C ATOM 928 CG2 VAL A 56 -6.105 -4.665 -1.187 1.00 73.35 C ATOM 0 H VAL A 56 -5.830 -4.921 -4.004 1.00 64.05 H new ATOM 0 HA VAL A 56 -3.456 -4.712 -2.287 1.00 14.20 H new ATOM 0 HB VAL A 56 -5.804 -6.632 -1.997 1.00 43.21 H new ATOM 0 HG11 VAL A 56 -5.142 -6.713 0.384 1.00 23.21 H new ATOM 0 HG12 VAL A 56 -3.838 -7.268 -0.692 1.00 23.21 H new ATOM 0 HG13 VAL A 56 -3.763 -5.644 0.033 1.00 23.21 H new ATOM 0 HG21 VAL A 56 -6.780 -4.998 -0.399 1.00 73.35 H new ATOM 0 HG22 VAL A 56 -5.500 -3.836 -0.820 1.00 73.35 H new ATOM 0 HG23 VAL A 56 -6.687 -4.337 -2.049 1.00 73.35 H new ATOM 938 N ARG A 57 -2.268 -6.832 -2.951 1.00 32.22 N ATOM 939 CA ARG A 57 -1.442 -7.946 -3.452 1.00 51.14 C ATOM 940 C ARG A 57 -0.810 -8.717 -2.282 1.00 22.11 C ATOM 941 O ARG A 57 -0.799 -8.254 -1.135 1.00 33.30 O ATOM 942 CB ARG A 57 -0.326 -7.431 -4.407 1.00 33.31 C ATOM 943 CG ARG A 57 -0.825 -6.698 -5.670 1.00 54.32 C ATOM 944 CD ARG A 57 -1.735 -7.551 -6.563 1.00 12.23 C ATOM 945 NE ARG A 57 -2.156 -6.811 -7.765 1.00 43.52 N ATOM 946 CZ ARG A 57 -3.276 -6.076 -7.871 1.00 62.04 C ATOM 947 NH1 ARG A 57 -4.124 -5.970 -6.848 1.00 53.20 N ATOM 948 NH2 ARG A 57 -3.529 -5.426 -8.998 1.00 51.51 N ATOM 0 H ARG A 57 -1.790 -6.255 -2.259 1.00 32.22 H new ATOM 0 HA ARG A 57 -2.094 -8.617 -4.011 1.00 51.14 H new ATOM 0 HB2 ARG A 57 0.324 -6.757 -3.849 1.00 33.31 H new ATOM 0 HB3 ARG A 57 0.284 -8.279 -4.717 1.00 33.31 H new ATOM 0 HG2 ARG A 57 -1.366 -5.801 -5.368 1.00 54.32 H new ATOM 0 HG3 ARG A 57 0.036 -6.370 -6.252 1.00 54.32 H new ATOM 0 HD2 ARG A 57 -1.209 -8.459 -6.859 1.00 12.23 H new ATOM 0 HD3 ARG A 57 -2.614 -7.861 -5.998 1.00 12.23 H new ATOM 0 HE ARG A 57 -1.548 -6.860 -8.583 1.00 43.52 H new ATOM 0 HH11 ARG A 57 -3.927 -6.450 -5.970 1.00 53.20 H new ATOM 0 HH12 ARG A 57 -4.970 -5.409 -6.943 1.00 53.20 H new ATOM 0 HH21 ARG A 57 -2.875 -5.485 -9.779 1.00 51.51 H new ATOM 0 HH22 ARG A 57 -4.377 -4.866 -9.085 1.00 51.51 H new ATOM 962 N LYS A 58 -0.285 -9.897 -2.619 1.00 42.34 N ATOM 963 CA LYS A 58 0.413 -10.789 -1.689 1.00 34.32 C ATOM 964 C LYS A 58 1.923 -10.590 -1.869 1.00 34.33 C ATOM 965 O LYS A 58 2.438 -10.676 -2.992 1.00 50.43 O ATOM 966 CB LYS A 58 -0.010 -12.267 -1.983 1.00 53.53 C ATOM 967 CG LYS A 58 0.431 -13.336 -0.948 1.00 53.44 C ATOM 968 CD LYS A 58 1.900 -13.799 -1.085 1.00 31.04 C ATOM 969 CE LYS A 58 2.340 -14.718 0.066 1.00 55.42 C ATOM 970 NZ LYS A 58 2.202 -14.062 1.399 1.00 63.04 N ATOM 0 H LYS A 58 -0.334 -10.268 -3.568 1.00 42.34 H new ATOM 0 HA LYS A 58 0.151 -10.563 -0.655 1.00 34.32 H new ATOM 0 HB2 LYS A 58 -1.096 -12.300 -2.065 1.00 53.53 H new ATOM 0 HB3 LYS A 58 0.392 -12.549 -2.956 1.00 53.53 H new ATOM 0 HG2 LYS A 58 0.283 -12.935 0.055 1.00 53.44 H new ATOM 0 HG3 LYS A 58 -0.220 -14.205 -1.043 1.00 53.44 H new ATOM 0 HD2 LYS A 58 2.025 -14.324 -2.032 1.00 31.04 H new ATOM 0 HD3 LYS A 58 2.551 -12.925 -1.117 1.00 31.04 H new ATOM 0 HE2 LYS A 58 1.743 -15.630 0.049 1.00 55.42 H new ATOM 0 HE3 LYS A 58 3.378 -15.014 -0.085 1.00 55.42 H new ATOM 0 HZ1 LYS A 58 2.664 -14.648 2.124 1.00 63.04 H new ATOM 0 HZ2 LYS A 58 2.652 -13.125 1.373 1.00 63.04 H new ATOM 0 HZ3 LYS A 58 1.194 -13.956 1.631 1.00 63.04 H new ATOM 984 N VAL A 59 2.616 -10.333 -0.760 1.00 43.32 N ATOM 985 CA VAL A 59 4.088 -10.289 -0.702 1.00 41.40 C ATOM 986 C VAL A 59 4.565 -11.194 0.449 1.00 35.23 C ATOM 987 O VAL A 59 3.788 -11.494 1.376 1.00 43.22 O ATOM 988 CB VAL A 59 4.627 -8.823 -0.516 1.00 52.33 C ATOM 989 CG1 VAL A 59 4.438 -7.983 -1.804 1.00 13.45 C ATOM 990 CG2 VAL A 59 3.957 -8.152 0.708 1.00 22.21 C ATOM 0 H VAL A 59 2.171 -10.146 0.138 1.00 43.32 H new ATOM 0 HA VAL A 59 4.486 -10.650 -1.651 1.00 41.40 H new ATOM 0 HB VAL A 59 5.699 -8.875 -0.326 1.00 52.33 H new ATOM 0 HG11 VAL A 59 4.821 -6.976 -1.641 1.00 13.45 H new ATOM 0 HG12 VAL A 59 4.982 -8.449 -2.626 1.00 13.45 H new ATOM 0 HG13 VAL A 59 3.378 -7.932 -2.053 1.00 13.45 H new ATOM 0 HG21 VAL A 59 4.341 -7.138 0.823 1.00 22.21 H new ATOM 0 HG22 VAL A 59 2.878 -8.117 0.558 1.00 22.21 H new ATOM 0 HG23 VAL A 59 4.180 -8.728 1.606 1.00 22.21 H new ATOM 1000 N LYS A 60 5.826 -11.650 0.375 1.00 61.50 N ATOM 1001 CA LYS A 60 6.436 -12.472 1.434 1.00 11.04 C ATOM 1002 C LYS A 60 6.945 -11.552 2.559 1.00 72.22 C ATOM 1003 O LYS A 60 6.343 -11.478 3.645 1.00 63.10 O ATOM 1004 CB LYS A 60 7.598 -13.340 0.874 1.00 24.41 C ATOM 1005 CG LYS A 60 7.271 -14.146 -0.397 1.00 14.23 C ATOM 1006 CD LYS A 60 8.470 -15.013 -0.836 1.00 42.40 C ATOM 1007 CE LYS A 60 8.270 -15.706 -2.184 1.00 22.03 C ATOM 1008 NZ LYS A 60 7.131 -16.667 -2.168 1.00 31.32 N ATOM 0 H LYS A 60 6.447 -11.462 -0.412 1.00 61.50 H new ATOM 0 HA LYS A 60 5.681 -13.151 1.830 1.00 11.04 H new ATOM 0 HB2 LYS A 60 8.445 -12.688 0.662 1.00 24.41 H new ATOM 0 HB3 LYS A 60 7.917 -14.034 1.651 1.00 24.41 H new ATOM 0 HG2 LYS A 60 6.406 -14.784 -0.213 1.00 14.23 H new ATOM 0 HG3 LYS A 60 6.999 -13.464 -1.202 1.00 14.23 H new ATOM 0 HD2 LYS A 60 9.360 -14.386 -0.889 1.00 42.40 H new ATOM 0 HD3 LYS A 60 8.658 -15.769 -0.074 1.00 42.40 H new ATOM 0 HE2 LYS A 60 8.096 -14.954 -2.953 1.00 22.03 H new ATOM 0 HE3 LYS A 60 9.184 -16.235 -2.456 1.00 22.03 H new ATOM 0 HZ1 LYS A 60 7.037 -17.110 -3.104 1.00 31.32 H new ATOM 0 HZ2 LYS A 60 7.307 -17.402 -1.453 1.00 31.32 H new ATOM 0 HZ3 LYS A 60 6.253 -16.161 -1.935 1.00 31.32 H new ATOM 1022 N ASP A 61 8.025 -10.807 2.257 1.00 11.34 N ATOM 1023 CA ASP A 61 8.629 -9.854 3.205 1.00 30.31 C ATOM 1024 C ASP A 61 9.107 -8.589 2.449 1.00 33.54 C ATOM 1025 O ASP A 61 8.862 -8.457 1.242 1.00 21.01 O ATOM 1026 CB ASP A 61 9.753 -10.543 4.041 1.00 72.33 C ATOM 1027 CG ASP A 61 9.982 -9.845 5.398 1.00 5.25 C ATOM 1028 OD1 ASP A 61 9.115 -9.979 6.296 1.00 31.51 O ATOM 1029 OD2 ASP A 61 10.996 -9.131 5.560 1.00 22.00 O ATOM 0 H ASP A 61 8.500 -10.849 1.355 1.00 11.34 H new ATOM 0 HA ASP A 61 7.880 -9.525 3.926 1.00 30.31 H new ATOM 0 HB2 ASP A 61 9.489 -11.587 4.211 1.00 72.33 H new ATOM 0 HB3 ASP A 61 10.682 -10.538 3.471 1.00 72.33 H new ATOM 1034 N ASP A 62 9.792 -7.662 3.156 1.00 75.24 N ATOM 1035 CA ASP A 62 10.103 -6.310 2.621 1.00 21.02 C ATOM 1036 C ASP A 62 11.191 -6.364 1.531 1.00 3.11 C ATOM 1037 O ASP A 62 11.301 -5.452 0.707 1.00 4.13 O ATOM 1038 CB ASP A 62 10.494 -5.337 3.759 1.00 35.52 C ATOM 1039 CG ASP A 62 10.690 -3.876 3.281 1.00 34.04 C ATOM 1040 OD1 ASP A 62 9.690 -3.226 2.888 1.00 1.40 O ATOM 1041 OD2 ASP A 62 11.835 -3.365 3.300 1.00 71.14 O ATOM 0 H ASP A 62 10.142 -7.823 4.100 1.00 75.24 H new ATOM 0 HA ASP A 62 9.196 -5.928 2.152 1.00 21.02 H new ATOM 0 HB2 ASP A 62 9.721 -5.359 4.527 1.00 35.52 H new ATOM 0 HB3 ASP A 62 11.416 -5.686 4.224 1.00 35.52 H new ATOM 1046 N ASP A 63 11.974 -7.449 1.541 1.00 73.12 N ATOM 1047 CA ASP A 63 12.940 -7.769 0.466 1.00 52.22 C ATOM 1048 C ASP A 63 12.214 -7.907 -0.892 1.00 13.12 C ATOM 1049 O ASP A 63 12.647 -7.357 -1.912 1.00 21.03 O ATOM 1050 CB ASP A 63 13.689 -9.084 0.784 1.00 55.14 C ATOM 1051 CG ASP A 63 14.339 -9.090 2.176 1.00 4.24 C ATOM 1052 OD1 ASP A 63 15.392 -8.438 2.358 1.00 44.03 O ATOM 1053 OD2 ASP A 63 13.790 -9.734 3.104 1.00 2.04 O ATOM 0 H ASP A 63 11.961 -8.137 2.294 1.00 73.12 H new ATOM 0 HA ASP A 63 13.660 -6.953 0.406 1.00 52.22 H new ATOM 0 HB2 ASP A 63 12.991 -9.918 0.713 1.00 55.14 H new ATOM 0 HB3 ASP A 63 14.459 -9.247 0.030 1.00 55.14 H new ATOM 1058 N ASP A 64 11.082 -8.638 -0.858 1.00 44.00 N ATOM 1059 CA ASP A 64 10.189 -8.853 -2.021 1.00 45.32 C ATOM 1060 C ASP A 64 9.462 -7.550 -2.401 1.00 31.34 C ATOM 1061 O ASP A 64 9.217 -7.280 -3.578 1.00 41.53 O ATOM 1062 CB ASP A 64 9.143 -9.955 -1.685 1.00 71.11 C ATOM 1063 CG ASP A 64 9.799 -11.267 -1.236 1.00 65.11 C ATOM 1064 OD1 ASP A 64 10.186 -11.368 -0.049 1.00 5.23 O ATOM 1065 OD2 ASP A 64 9.957 -12.186 -2.068 1.00 2.04 O ATOM 0 H ASP A 64 10.755 -9.103 -0.011 1.00 44.00 H new ATOM 0 HA ASP A 64 10.797 -9.171 -2.868 1.00 45.32 H new ATOM 0 HB2 ASP A 64 8.481 -9.595 -0.898 1.00 71.11 H new ATOM 0 HB3 ASP A 64 8.523 -10.143 -2.562 1.00 71.11 H new ATOM 1070 N ILE A 65 9.134 -6.770 -1.362 1.00 52.01 N ATOM 1071 CA ILE A 65 8.461 -5.463 -1.491 1.00 4.45 C ATOM 1072 C ILE A 65 9.350 -4.439 -2.247 1.00 53.01 C ATOM 1073 O ILE A 65 8.853 -3.728 -3.122 1.00 22.44 O ATOM 1074 CB ILE A 65 8.029 -4.933 -0.077 1.00 4.33 C ATOM 1075 CG1 ILE A 65 6.952 -5.889 0.533 1.00 33.32 C ATOM 1076 CG2 ILE A 65 7.536 -3.470 -0.115 1.00 41.13 C ATOM 1077 CD1 ILE A 65 6.514 -5.566 1.950 1.00 71.32 C ATOM 0 H ILE A 65 9.329 -7.029 -0.395 1.00 52.01 H new ATOM 0 HA ILE A 65 7.560 -5.596 -2.090 1.00 4.45 H new ATOM 0 HB ILE A 65 8.909 -4.931 0.566 1.00 4.33 H new ATOM 0 HG12 ILE A 65 6.073 -5.875 -0.112 1.00 33.32 H new ATOM 0 HG13 ILE A 65 7.344 -6.906 0.516 1.00 33.32 H new ATOM 0 HG21 ILE A 65 7.251 -3.156 0.889 1.00 41.13 H new ATOM 0 HG22 ILE A 65 8.335 -2.826 -0.483 1.00 41.13 H new ATOM 0 HG23 ILE A 65 6.674 -3.394 -0.778 1.00 41.13 H new ATOM 0 HD11 ILE A 65 5.766 -6.290 2.274 1.00 71.32 H new ATOM 0 HD12 ILE A 65 7.375 -5.611 2.616 1.00 71.32 H new ATOM 0 HD13 ILE A 65 6.085 -4.564 1.979 1.00 71.32 H new ATOM 1089 N ASP A 66 10.670 -4.406 -1.952 1.00 62.42 N ATOM 1090 CA ASP A 66 11.632 -3.554 -2.707 1.00 31.24 C ATOM 1091 C ASP A 66 11.633 -3.907 -4.201 1.00 0.23 C ATOM 1092 O ASP A 66 11.647 -3.017 -5.053 1.00 43.51 O ATOM 1093 CB ASP A 66 13.078 -3.662 -2.137 1.00 13.03 C ATOM 1094 CG ASP A 66 13.290 -2.765 -0.917 1.00 62.34 C ATOM 1095 OD1 ASP A 66 13.475 -1.541 -1.099 1.00 63.41 O ATOM 1096 OD2 ASP A 66 13.214 -3.247 0.223 1.00 64.13 O ATOM 0 H ASP A 66 11.096 -4.953 -1.204 1.00 62.42 H new ATOM 0 HA ASP A 66 11.297 -2.524 -2.588 1.00 31.24 H new ATOM 0 HB2 ASP A 66 13.282 -4.697 -1.864 1.00 13.03 H new ATOM 0 HB3 ASP A 66 13.793 -3.391 -2.913 1.00 13.03 H new ATOM 1101 N LYS A 67 11.567 -5.217 -4.486 1.00 71.45 N ATOM 1102 CA LYS A 67 11.509 -5.734 -5.864 1.00 55.13 C ATOM 1103 C LYS A 67 10.152 -5.398 -6.516 1.00 14.15 C ATOM 1104 O LYS A 67 10.073 -5.124 -7.720 1.00 53.53 O ATOM 1105 CB LYS A 67 11.727 -7.269 -5.889 1.00 43.43 C ATOM 1106 CG LYS A 67 13.094 -7.756 -5.345 1.00 51.10 C ATOM 1107 CD LYS A 67 13.339 -9.259 -5.642 1.00 52.45 C ATOM 1108 CE LYS A 67 12.261 -10.178 -5.041 1.00 20.45 C ATOM 1109 NZ LYS A 67 12.422 -11.597 -5.477 1.00 23.31 N ATOM 0 H LYS A 67 11.552 -5.945 -3.772 1.00 71.45 H new ATOM 0 HA LYS A 67 12.307 -5.254 -6.430 1.00 55.13 H new ATOM 0 HB2 LYS A 67 10.935 -7.741 -5.307 1.00 43.43 H new ATOM 0 HB3 LYS A 67 11.619 -7.617 -6.916 1.00 43.43 H new ATOM 0 HG2 LYS A 67 13.893 -7.164 -5.791 1.00 51.10 H new ATOM 0 HG3 LYS A 67 13.136 -7.588 -4.269 1.00 51.10 H new ATOM 0 HD2 LYS A 67 13.375 -9.409 -6.721 1.00 52.45 H new ATOM 0 HD3 LYS A 67 14.314 -9.547 -5.248 1.00 52.45 H new ATOM 0 HE2 LYS A 67 12.307 -10.127 -3.953 1.00 20.45 H new ATOM 0 HE3 LYS A 67 11.275 -9.819 -5.335 1.00 20.45 H new ATOM 0 HZ1 LYS A 67 11.674 -12.179 -5.048 1.00 23.31 H new ATOM 0 HZ2 LYS A 67 12.352 -11.652 -6.513 1.00 23.31 H new ATOM 0 HZ3 LYS A 67 13.352 -11.950 -5.174 1.00 23.31 H new ATOM 1123 N TRP A 68 9.099 -5.417 -5.686 1.00 55.33 N ATOM 1124 CA TRP A 68 7.712 -5.206 -6.120 1.00 35.10 C ATOM 1125 C TRP A 68 7.495 -3.734 -6.552 1.00 75.11 C ATOM 1126 O TRP A 68 6.710 -3.456 -7.458 1.00 22.51 O ATOM 1127 CB TRP A 68 6.737 -5.620 -4.976 1.00 25.13 C ATOM 1128 CG TRP A 68 5.303 -5.781 -5.419 1.00 5.53 C ATOM 1129 CD1 TRP A 68 4.695 -6.933 -5.841 1.00 13.31 C ATOM 1130 CD2 TRP A 68 4.310 -4.755 -5.496 1.00 44.25 C ATOM 1131 NE1 TRP A 68 3.392 -6.677 -6.174 1.00 72.42 N ATOM 1132 CE2 TRP A 68 3.136 -5.346 -5.978 1.00 4.12 C ATOM 1133 CE3 TRP A 68 4.307 -3.391 -5.204 1.00 24.01 C ATOM 1134 CZ2 TRP A 68 1.974 -4.618 -6.175 1.00 64.35 C ATOM 1135 CZ3 TRP A 68 3.153 -2.673 -5.397 1.00 1.50 C ATOM 1136 CH2 TRP A 68 2.004 -3.289 -5.884 1.00 52.43 C ATOM 0 H TRP A 68 9.188 -5.581 -4.683 1.00 55.33 H new ATOM 0 HA TRP A 68 7.505 -5.832 -6.988 1.00 35.10 H new ATOM 0 HB2 TRP A 68 7.080 -6.559 -4.542 1.00 25.13 H new ATOM 0 HB3 TRP A 68 6.780 -4.870 -4.186 1.00 25.13 H new ATOM 0 HD1 TRP A 68 5.172 -7.900 -5.902 1.00 13.31 H new ATOM 0 HE1 TRP A 68 2.721 -7.366 -6.513 1.00 72.42 H new ATOM 0 HE3 TRP A 68 5.198 -2.908 -4.832 1.00 24.01 H new ATOM 0 HZ2 TRP A 68 1.076 -5.089 -6.547 1.00 64.35 H new ATOM 0 HZ3 TRP A 68 3.137 -1.618 -5.168 1.00 1.50 H new ATOM 0 HH2 TRP A 68 1.113 -2.697 -6.035 1.00 52.43 H new ATOM 1147 N ILE A 69 8.195 -2.799 -5.887 1.00 54.15 N ATOM 1148 CA ILE A 69 8.202 -1.363 -6.262 1.00 0.32 C ATOM 1149 C ILE A 69 9.152 -1.139 -7.463 1.00 50.20 C ATOM 1150 O ILE A 69 8.848 -0.360 -8.392 1.00 21.12 O ATOM 1151 CB ILE A 69 8.606 -0.457 -5.015 1.00 73.15 C ATOM 1152 CG1 ILE A 69 7.372 -0.211 -4.072 1.00 65.00 C ATOM 1153 CG2 ILE A 69 9.260 0.899 -5.424 1.00 32.52 C ATOM 1154 CD1 ILE A 69 6.849 -1.424 -3.310 1.00 21.11 C ATOM 0 H ILE A 69 8.773 -3.011 -5.074 1.00 54.15 H new ATOM 0 HA ILE A 69 7.197 -1.067 -6.564 1.00 0.32 H new ATOM 0 HB ILE A 69 9.365 -1.017 -4.469 1.00 73.15 H new ATOM 0 HG12 ILE A 69 7.643 0.557 -3.347 1.00 65.00 H new ATOM 0 HG13 ILE A 69 6.557 0.192 -4.674 1.00 65.00 H new ATOM 0 HG21 ILE A 69 9.511 1.467 -4.528 1.00 32.52 H new ATOM 0 HG22 ILE A 69 10.167 0.707 -5.998 1.00 32.52 H new ATOM 0 HG23 ILE A 69 8.560 1.472 -6.032 1.00 32.52 H new ATOM 0 HD11 ILE A 69 5.999 -1.129 -2.695 1.00 21.11 H new ATOM 0 HD12 ILE A 69 6.535 -2.191 -4.018 1.00 21.11 H new ATOM 0 HD13 ILE A 69 7.638 -1.821 -2.671 1.00 21.11 H new ATOM 1166 N ASP A 70 10.276 -1.883 -7.446 1.00 4.40 N ATOM 1167 CA ASP A 70 11.358 -1.756 -8.440 1.00 23.33 C ATOM 1168 C ASP A 70 10.852 -2.035 -9.863 1.00 31.52 C ATOM 1169 O ASP A 70 11.204 -1.313 -10.811 1.00 63.14 O ATOM 1170 CB ASP A 70 12.535 -2.706 -8.080 1.00 52.21 C ATOM 1171 CG ASP A 70 13.734 -2.589 -9.037 1.00 31.22 C ATOM 1172 OD1 ASP A 70 14.481 -1.590 -8.942 1.00 32.52 O ATOM 1173 OD2 ASP A 70 13.948 -3.495 -9.877 1.00 50.24 O ATOM 0 H ASP A 70 10.459 -2.593 -6.737 1.00 4.40 H new ATOM 0 HA ASP A 70 11.716 -0.727 -8.415 1.00 23.33 H new ATOM 0 HB2 ASP A 70 12.868 -2.490 -7.065 1.00 52.21 H new ATOM 0 HB3 ASP A 70 12.175 -3.735 -8.085 1.00 52.21 H new ATOM 1178 N LYS A 71 9.998 -3.072 -9.987 1.00 4.24 N ATOM 1179 CA LYS A 71 9.395 -3.452 -11.274 1.00 55.25 C ATOM 1180 C LYS A 71 8.505 -2.316 -11.827 1.00 0.44 C ATOM 1181 O LYS A 71 8.561 -2.018 -13.016 1.00 1.43 O ATOM 1182 CB LYS A 71 8.573 -4.772 -11.168 1.00 54.24 C ATOM 1183 CG LYS A 71 7.355 -4.705 -10.219 1.00 73.40 C ATOM 1184 CD LYS A 71 6.388 -5.900 -10.352 1.00 4.33 C ATOM 1185 CE LYS A 71 7.029 -7.245 -10.022 1.00 11.12 C ATOM 1186 NZ LYS A 71 6.071 -8.369 -10.225 1.00 35.42 N ATOM 0 H LYS A 71 9.712 -3.661 -9.205 1.00 4.24 H new ATOM 0 HA LYS A 71 10.217 -3.626 -11.968 1.00 55.25 H new ATOM 0 HB2 LYS A 71 8.225 -5.047 -12.164 1.00 54.24 H new ATOM 0 HB3 LYS A 71 9.235 -5.569 -10.830 1.00 54.24 H new ATOM 0 HG2 LYS A 71 7.712 -4.652 -9.190 1.00 73.40 H new ATOM 0 HG3 LYS A 71 6.806 -3.784 -10.414 1.00 73.40 H new ATOM 0 HD2 LYS A 71 5.535 -5.742 -9.692 1.00 4.33 H new ATOM 0 HD3 LYS A 71 6.001 -5.932 -11.370 1.00 4.33 H new ATOM 0 HE2 LYS A 71 7.907 -7.395 -10.650 1.00 11.12 H new ATOM 0 HE3 LYS A 71 7.374 -7.241 -8.988 1.00 11.12 H new ATOM 0 HZ1 LYS A 71 6.537 -9.269 -9.992 1.00 35.42 H new ATOM 0 HZ2 LYS A 71 5.245 -8.237 -9.607 1.00 35.42 H new ATOM 0 HZ3 LYS A 71 5.761 -8.386 -11.218 1.00 35.42 H new ATOM 1200 N ILE A 72 7.727 -1.655 -10.932 1.00 62.25 N ATOM 1201 CA ILE A 72 6.773 -0.588 -11.321 1.00 44.24 C ATOM 1202 C ILE A 72 7.531 0.651 -11.844 1.00 71.32 C ATOM 1203 O ILE A 72 7.038 1.366 -12.727 1.00 54.42 O ATOM 1204 CB ILE A 72 5.831 -0.164 -10.122 1.00 3.43 C ATOM 1205 CG1 ILE A 72 5.078 -1.394 -9.522 1.00 40.03 C ATOM 1206 CG2 ILE A 72 4.816 0.922 -10.568 1.00 10.44 C ATOM 1207 CD1 ILE A 72 4.215 -1.078 -8.305 1.00 33.51 C ATOM 0 H ILE A 72 7.744 -1.845 -9.930 1.00 62.25 H new ATOM 0 HA ILE A 72 6.146 -0.997 -12.113 1.00 44.24 H new ATOM 0 HB ILE A 72 6.468 0.255 -9.343 1.00 3.43 H new ATOM 0 HG12 ILE A 72 4.446 -1.829 -10.296 1.00 40.03 H new ATOM 0 HG13 ILE A 72 5.811 -2.152 -9.245 1.00 40.03 H new ATOM 0 HG21 ILE A 72 4.181 1.195 -9.725 1.00 10.44 H new ATOM 0 HG22 ILE A 72 5.355 1.803 -10.916 1.00 10.44 H new ATOM 0 HG23 ILE A 72 4.198 0.532 -11.376 1.00 10.44 H new ATOM 0 HD11 ILE A 72 3.730 -1.990 -7.956 1.00 33.51 H new ATOM 0 HD12 ILE A 72 4.841 -0.673 -7.510 1.00 33.51 H new ATOM 0 HD13 ILE A 72 3.456 -0.345 -8.578 1.00 33.51 H new ATOM 1219 N LYS A 73 8.737 0.886 -11.292 1.00 3.22 N ATOM 1220 CA LYS A 73 9.628 1.961 -11.767 1.00 20.03 C ATOM 1221 C LYS A 73 10.005 1.761 -13.256 1.00 14.11 C ATOM 1222 O LYS A 73 10.072 2.728 -14.018 1.00 21.22 O ATOM 1223 CB LYS A 73 10.910 2.068 -10.901 1.00 11.22 C ATOM 1224 CG LYS A 73 10.662 2.327 -9.396 1.00 70.34 C ATOM 1225 CD LYS A 73 11.971 2.617 -8.613 1.00 30.21 C ATOM 1226 CE LYS A 73 13.030 1.515 -8.787 1.00 15.21 C ATOM 1227 NZ LYS A 73 14.268 1.786 -8.009 1.00 44.34 N ATOM 0 H LYS A 73 9.117 0.344 -10.515 1.00 3.22 H new ATOM 0 HA LYS A 73 9.076 2.896 -11.671 1.00 20.03 H new ATOM 0 HB2 LYS A 73 11.480 1.145 -11.006 1.00 11.22 H new ATOM 0 HB3 LYS A 73 11.531 2.872 -11.295 1.00 11.22 H new ATOM 0 HG2 LYS A 73 9.982 3.172 -9.284 1.00 70.34 H new ATOM 0 HG3 LYS A 73 10.167 1.460 -8.959 1.00 70.34 H new ATOM 0 HD2 LYS A 73 12.385 3.568 -8.948 1.00 30.21 H new ATOM 0 HD3 LYS A 73 11.738 2.726 -7.554 1.00 30.21 H new ATOM 0 HE2 LYS A 73 12.610 0.559 -8.474 1.00 15.21 H new ATOM 0 HE3 LYS A 73 13.282 1.421 -9.843 1.00 15.21 H new ATOM 0 HZ1 LYS A 73 14.949 1.015 -8.160 1.00 44.34 H new ATOM 0 HZ2 LYS A 73 14.687 2.684 -8.324 1.00 44.34 H new ATOM 0 HZ3 LYS A 73 14.035 1.849 -6.997 1.00 44.34 H new ATOM 1241 N LYS A 74 10.223 0.490 -13.658 1.00 70.33 N ATOM 1242 CA LYS A 74 10.634 0.135 -15.035 1.00 1.42 C ATOM 1243 C LYS A 74 9.419 0.116 -15.986 1.00 44.05 C ATOM 1244 O LYS A 74 9.460 0.697 -17.085 1.00 23.51 O ATOM 1245 CB LYS A 74 11.324 -1.257 -15.042 1.00 34.33 C ATOM 1246 CG LYS A 74 11.849 -1.708 -16.431 1.00 2.30 C ATOM 1247 CD LYS A 74 12.376 -3.159 -16.452 1.00 73.33 C ATOM 1248 CE LYS A 74 13.500 -3.421 -15.435 1.00 63.34 C ATOM 1249 NZ LYS A 74 14.692 -2.560 -15.661 1.00 73.21 N ATOM 0 H LYS A 74 10.120 -0.316 -13.041 1.00 70.33 H new ATOM 0 HA LYS A 74 11.337 0.891 -15.385 1.00 1.42 H new ATOM 0 HB2 LYS A 74 12.158 -1.238 -14.341 1.00 34.33 H new ATOM 0 HB3 LYS A 74 10.617 -2.001 -14.676 1.00 34.33 H new ATOM 0 HG2 LYS A 74 11.046 -1.611 -17.162 1.00 2.30 H new ATOM 0 HG3 LYS A 74 12.648 -1.036 -16.744 1.00 2.30 H new ATOM 0 HD2 LYS A 74 11.549 -3.840 -16.250 1.00 73.33 H new ATOM 0 HD3 LYS A 74 12.742 -3.389 -17.453 1.00 73.33 H new ATOM 0 HE2 LYS A 74 13.120 -3.251 -14.428 1.00 63.34 H new ATOM 0 HE3 LYS A 74 13.798 -4.468 -15.491 1.00 63.34 H new ATOM 0 HZ1 LYS A 74 15.418 -2.778 -14.949 1.00 73.21 H new ATOM 0 HZ2 LYS A 74 15.075 -2.739 -16.611 1.00 73.21 H new ATOM 0 HZ3 LYS A 74 14.418 -1.560 -15.581 1.00 73.21 H new ATOM 1263 N GLU A 75 8.349 -0.569 -15.538 1.00 33.02 N ATOM 1264 CA GLU A 75 7.122 -0.790 -16.331 1.00 45.54 C ATOM 1265 C GLU A 75 6.391 0.528 -16.591 1.00 52.32 C ATOM 1266 O GLU A 75 5.944 0.809 -17.710 1.00 44.33 O ATOM 1267 CB GLU A 75 6.158 -1.774 -15.599 1.00 41.44 C ATOM 1268 CG GLU A 75 6.737 -3.176 -15.337 1.00 54.52 C ATOM 1269 CD GLU A 75 7.242 -3.865 -16.609 1.00 23.32 C ATOM 1270 OE1 GLU A 75 6.406 -4.272 -17.444 1.00 41.15 O ATOM 1271 OE2 GLU A 75 8.475 -4.003 -16.785 1.00 10.11 O ATOM 0 H GLU A 75 8.311 -0.988 -14.609 1.00 33.02 H new ATOM 0 HA GLU A 75 7.425 -1.224 -17.284 1.00 45.54 H new ATOM 0 HB2 GLU A 75 5.868 -1.333 -14.645 1.00 41.44 H new ATOM 0 HB3 GLU A 75 5.249 -1.877 -16.192 1.00 41.44 H new ATOM 0 HG2 GLU A 75 7.558 -3.096 -14.624 1.00 54.52 H new ATOM 0 HG3 GLU A 75 5.971 -3.798 -14.874 1.00 54.52 H new ATOM 1278 N ARG A 76 6.286 1.333 -15.528 1.00 15.11 N ATOM 1279 CA ARG A 76 5.495 2.565 -15.509 1.00 34.45 C ATOM 1280 C ARG A 76 6.399 3.744 -15.062 1.00 5.11 C ATOM 1281 O ARG A 76 6.242 4.258 -13.952 1.00 31.03 O ATOM 1282 CB ARG A 76 4.280 2.365 -14.544 1.00 21.11 C ATOM 1283 CG ARG A 76 3.443 1.082 -14.810 1.00 24.23 C ATOM 1284 CD ARG A 76 2.330 0.852 -13.776 1.00 72.51 C ATOM 1285 NE ARG A 76 1.312 1.912 -13.807 1.00 54.14 N ATOM 1286 CZ ARG A 76 0.262 2.001 -12.971 1.00 31.41 C ATOM 1287 NH1 ARG A 76 0.065 1.093 -12.013 1.00 45.13 N ATOM 1288 NH2 ARG A 76 -0.572 3.030 -13.081 1.00 70.20 N ATOM 0 H ARG A 76 6.756 1.142 -14.643 1.00 15.11 H new ATOM 0 HA ARG A 76 5.110 2.798 -16.502 1.00 34.45 H new ATOM 0 HB2 ARG A 76 4.649 2.336 -13.519 1.00 21.11 H new ATOM 0 HB3 ARG A 76 3.625 3.233 -14.622 1.00 21.11 H new ATOM 0 HG2 ARG A 76 2.998 1.147 -15.803 1.00 24.23 H new ATOM 0 HG3 ARG A 76 4.108 0.218 -14.815 1.00 24.23 H new ATOM 0 HD2 ARG A 76 1.855 -0.111 -13.965 1.00 72.51 H new ATOM 0 HD3 ARG A 76 2.768 0.801 -12.779 1.00 72.51 H new ATOM 0 HE ARG A 76 1.409 2.637 -14.518 1.00 54.14 H new ATOM 0 HH11 ARG A 76 0.716 0.315 -11.906 1.00 45.13 H new ATOM 0 HH12 ARG A 76 -0.737 1.177 -11.388 1.00 45.13 H new ATOM 0 HH21 ARG A 76 -0.412 3.742 -13.794 1.00 70.20 H new ATOM 0 HH22 ARG A 76 -1.372 3.108 -12.453 1.00 70.20 H new ATOM 1302 N PRO A 77 7.366 4.213 -15.928 1.00 1.13 N ATOM 1303 CA PRO A 77 8.334 5.280 -15.555 1.00 32.01 C ATOM 1304 C PRO A 77 7.743 6.706 -15.697 1.00 52.52 C ATOM 1305 O PRO A 77 8.482 7.697 -15.733 1.00 23.21 O ATOM 1306 CB PRO A 77 9.485 5.022 -16.550 1.00 34.40 C ATOM 1307 CG PRO A 77 8.804 4.549 -17.797 1.00 14.01 C ATOM 1308 CD PRO A 77 7.591 3.758 -17.334 1.00 51.25 C ATOM 0 HA PRO A 77 8.637 5.242 -14.509 1.00 32.01 H new ATOM 0 HB2 PRO A 77 10.062 5.928 -16.733 1.00 34.40 H new ATOM 0 HB3 PRO A 77 10.179 4.273 -16.168 1.00 34.40 H new ATOM 0 HG2 PRO A 77 8.506 5.390 -18.423 1.00 14.01 H new ATOM 0 HG3 PRO A 77 9.471 3.928 -18.395 1.00 14.01 H new ATOM 0 HD2 PRO A 77 6.722 3.959 -17.961 1.00 51.25 H new ATOM 0 HD3 PRO A 77 7.775 2.685 -17.380 1.00 51.25 H new ATOM 1316 N GLN A 78 6.402 6.783 -15.767 1.00 52.15 N ATOM 1317 CA GLN A 78 5.648 8.043 -15.896 1.00 35.13 C ATOM 1318 C GLN A 78 5.009 8.452 -14.550 1.00 33.34 C ATOM 1319 O GLN A 78 4.334 9.487 -14.467 1.00 51.12 O ATOM 1320 CB GLN A 78 4.559 7.875 -16.990 1.00 14.13 C ATOM 1321 CG GLN A 78 5.102 7.451 -18.374 1.00 13.02 C ATOM 1322 CD GLN A 78 6.066 8.467 -19.006 1.00 1.53 C ATOM 1323 OE1 GLN A 78 5.937 9.680 -18.810 1.00 33.52 O ATOM 1324 NE2 GLN A 78 7.041 7.986 -19.765 1.00 52.03 N ATOM 0 H GLN A 78 5.802 5.959 -15.735 1.00 52.15 H new ATOM 0 HA GLN A 78 6.335 8.838 -16.185 1.00 35.13 H new ATOM 0 HB2 GLN A 78 3.836 7.132 -16.654 1.00 14.13 H new ATOM 0 HB3 GLN A 78 4.021 8.817 -17.098 1.00 14.13 H new ATOM 0 HG2 GLN A 78 5.614 6.494 -18.274 1.00 13.02 H new ATOM 0 HG3 GLN A 78 4.261 7.294 -19.050 1.00 13.02 H new ATOM 0 HE21 GLN A 78 7.125 6.980 -19.911 1.00 52.03 H new ATOM 0 HE22 GLN A 78 7.707 8.622 -20.203 1.00 52.03 H new ATOM 1333 N LEU A 79 5.239 7.639 -13.499 1.00 35.10 N ATOM 1334 CA LEU A 79 4.733 7.911 -12.141 1.00 62.33 C ATOM 1335 C LEU A 79 5.843 7.753 -11.091 1.00 44.32 C ATOM 1336 O LEU A 79 6.951 7.299 -11.397 1.00 14.40 O ATOM 1337 CB LEU A 79 3.466 7.043 -11.829 1.00 15.20 C ATOM 1338 CG LEU A 79 3.518 5.508 -12.151 1.00 20.02 C ATOM 1339 CD1 LEU A 79 4.396 4.706 -11.167 1.00 0.33 C ATOM 1340 CD2 LEU A 79 2.089 4.922 -12.218 1.00 24.20 C ATOM 0 H LEU A 79 5.780 6.777 -13.569 1.00 35.10 H new ATOM 0 HA LEU A 79 4.414 8.952 -12.094 1.00 62.33 H new ATOM 0 HB2 LEU A 79 3.241 7.153 -10.768 1.00 15.20 H new ATOM 0 HB3 LEU A 79 2.627 7.470 -12.379 1.00 15.20 H new ATOM 0 HG LEU A 79 3.993 5.411 -13.127 1.00 20.02 H new ATOM 0 HD11 LEU A 79 4.388 3.653 -11.447 1.00 0.33 H new ATOM 0 HD12 LEU A 79 5.418 5.083 -11.201 1.00 0.33 H new ATOM 0 HD13 LEU A 79 4.003 4.815 -10.156 1.00 0.33 H new ATOM 0 HD21 LEU A 79 2.143 3.857 -12.442 1.00 24.20 H new ATOM 0 HD22 LEU A 79 1.591 5.066 -11.259 1.00 24.20 H new ATOM 0 HD23 LEU A 79 1.524 5.429 -13.000 1.00 24.20 H new ATOM 1352 N GLU A 80 5.534 8.179 -9.869 1.00 32.23 N ATOM 1353 CA GLU A 80 6.437 8.103 -8.711 1.00 21.43 C ATOM 1354 C GLU A 80 5.833 7.141 -7.671 1.00 74.42 C ATOM 1355 O GLU A 80 4.621 7.170 -7.431 1.00 41.23 O ATOM 1356 CB GLU A 80 6.647 9.533 -8.121 1.00 2.55 C ATOM 1357 CG GLU A 80 5.360 10.363 -8.030 1.00 2.33 C ATOM 1358 CD GLU A 80 5.501 11.697 -7.291 1.00 63.21 C ATOM 1359 OE1 GLU A 80 5.925 11.690 -6.116 1.00 1.02 O ATOM 1360 OE2 GLU A 80 5.083 12.740 -7.838 1.00 31.52 O ATOM 0 H GLU A 80 4.631 8.597 -9.646 1.00 32.23 H new ATOM 0 HA GLU A 80 7.413 7.719 -9.008 1.00 21.43 H new ATOM 0 HB2 GLU A 80 7.082 9.444 -7.125 1.00 2.55 H new ATOM 0 HB3 GLU A 80 7.370 10.067 -8.738 1.00 2.55 H new ATOM 0 HG2 GLU A 80 5.001 10.561 -9.040 1.00 2.33 H new ATOM 0 HG3 GLU A 80 4.596 9.767 -7.531 1.00 2.33 H new ATOM 1367 N VAL A 81 6.684 6.281 -7.077 1.00 41.33 N ATOM 1368 CA VAL A 81 6.252 5.218 -6.142 1.00 54.32 C ATOM 1369 C VAL A 81 6.938 5.427 -4.778 1.00 51.10 C ATOM 1370 O VAL A 81 8.161 5.601 -4.726 1.00 3.00 O ATOM 1371 CB VAL A 81 6.620 3.777 -6.684 1.00 12.13 C ATOM 1372 CG1 VAL A 81 5.921 2.683 -5.852 1.00 63.31 C ATOM 1373 CG2 VAL A 81 6.314 3.618 -8.195 1.00 43.24 C ATOM 0 H VAL A 81 7.692 6.302 -7.231 1.00 41.33 H new ATOM 0 HA VAL A 81 5.168 5.281 -6.043 1.00 54.32 H new ATOM 0 HB VAL A 81 7.697 3.657 -6.571 1.00 12.13 H new ATOM 0 HG11 VAL A 81 6.189 1.702 -6.243 1.00 63.31 H new ATOM 0 HG12 VAL A 81 6.239 2.758 -4.812 1.00 63.31 H new ATOM 0 HG13 VAL A 81 4.841 2.815 -5.912 1.00 63.31 H new ATOM 0 HG21 VAL A 81 6.584 2.612 -8.517 1.00 43.24 H new ATOM 0 HG22 VAL A 81 5.251 3.782 -8.370 1.00 43.24 H new ATOM 0 HG23 VAL A 81 6.892 4.348 -8.762 1.00 43.24 H new ATOM 1383 N ARG A 82 6.154 5.406 -3.683 1.00 30.41 N ATOM 1384 CA ARG A 82 6.685 5.535 -2.307 1.00 34.11 C ATOM 1385 C ARG A 82 6.191 4.373 -1.423 1.00 14.02 C ATOM 1386 O ARG A 82 4.982 4.130 -1.335 1.00 41.54 O ATOM 1387 CB ARG A 82 6.273 6.902 -1.689 1.00 31.12 C ATOM 1388 CG ARG A 82 6.695 7.104 -0.209 1.00 60.40 C ATOM 1389 CD ARG A 82 8.223 6.996 0.010 1.00 30.23 C ATOM 1390 NE ARG A 82 8.586 6.990 1.441 1.00 30.33 N ATOM 1391 CZ ARG A 82 8.815 8.073 2.203 1.00 3.10 C ATOM 1392 NH1 ARG A 82 8.724 9.307 1.702 1.00 52.02 N ATOM 1393 NH2 ARG A 82 9.176 7.911 3.469 1.00 13.14 N ATOM 0 H ARG A 82 5.140 5.300 -3.724 1.00 30.41 H new ATOM 0 HA ARG A 82 7.773 5.492 -2.355 1.00 34.11 H new ATOM 0 HB2 ARG A 82 6.709 7.701 -2.288 1.00 31.12 H new ATOM 0 HB3 ARG A 82 5.190 7.005 -1.760 1.00 31.12 H new ATOM 0 HG2 ARG A 82 6.355 8.083 0.129 1.00 60.40 H new ATOM 0 HG3 ARG A 82 6.192 6.361 0.410 1.00 60.40 H new ATOM 0 HD2 ARG A 82 8.591 6.084 -0.460 1.00 30.23 H new ATOM 0 HD3 ARG A 82 8.718 7.832 -0.485 1.00 30.23 H new ATOM 0 HE ARG A 82 8.671 6.080 1.893 1.00 30.33 H new ATOM 0 HH11 ARG A 82 8.476 9.443 0.722 1.00 52.02 H new ATOM 0 HH12 ARG A 82 8.902 10.114 2.299 1.00 52.02 H new ATOM 0 HH21 ARG A 82 9.277 6.972 3.854 1.00 13.14 H new ATOM 0 HH22 ARG A 82 9.353 8.725 4.057 1.00 13.14 H new ATOM 1407 N LYS A 83 7.148 3.659 -0.792 1.00 53.54 N ATOM 1408 CA LYS A 83 6.860 2.640 0.233 1.00 74.42 C ATOM 1409 C LYS A 83 6.503 3.315 1.569 1.00 4.31 C ATOM 1410 O LYS A 83 7.191 4.247 2.020 1.00 12.13 O ATOM 1411 CB LYS A 83 8.068 1.688 0.462 1.00 21.23 C ATOM 1412 CG LYS A 83 8.567 0.926 -0.787 1.00 12.42 C ATOM 1413 CD LYS A 83 9.372 -0.349 -0.425 1.00 61.40 C ATOM 1414 CE LYS A 83 10.553 -0.080 0.516 1.00 1.13 C ATOM 1415 NZ LYS A 83 11.175 -1.351 0.995 1.00 52.30 N ATOM 0 H LYS A 83 8.143 3.776 -0.982 1.00 53.54 H new ATOM 0 HA LYS A 83 6.018 2.051 -0.131 1.00 74.42 H new ATOM 0 HB2 LYS A 83 8.896 2.272 0.864 1.00 21.23 H new ATOM 0 HB3 LYS A 83 7.793 0.959 1.224 1.00 21.23 H new ATOM 0 HG2 LYS A 83 7.713 0.649 -1.404 1.00 12.42 H new ATOM 0 HG3 LYS A 83 9.192 1.588 -1.386 1.00 12.42 H new ATOM 0 HD2 LYS A 83 8.703 -1.071 0.042 1.00 61.40 H new ATOM 0 HD3 LYS A 83 9.745 -0.806 -1.342 1.00 61.40 H new ATOM 0 HE2 LYS A 83 11.302 0.520 -0.001 1.00 1.13 H new ATOM 0 HE3 LYS A 83 10.212 0.504 1.371 1.00 1.13 H new ATOM 0 HZ1 LYS A 83 12.194 -1.205 1.143 1.00 52.30 H new ATOM 0 HZ2 LYS A 83 10.733 -1.637 1.892 1.00 52.30 H new ATOM 0 HZ3 LYS A 83 11.032 -2.097 0.285 1.00 52.30 H new ATOM 1429 N VAL A 84 5.413 2.845 2.169 1.00 24.41 N ATOM 1430 CA VAL A 84 4.952 3.266 3.492 1.00 51.43 C ATOM 1431 C VAL A 84 4.835 2.017 4.374 1.00 61.44 C ATOM 1432 O VAL A 84 3.811 1.336 4.369 1.00 52.51 O ATOM 1433 CB VAL A 84 3.568 4.012 3.365 1.00 33.20 C ATOM 1434 CG1 VAL A 84 2.931 4.294 4.742 1.00 22.14 C ATOM 1435 CG2 VAL A 84 3.715 5.306 2.524 1.00 52.21 C ATOM 0 H VAL A 84 4.810 2.143 1.740 1.00 24.41 H new ATOM 0 HA VAL A 84 5.658 3.962 3.945 1.00 51.43 H new ATOM 0 HB VAL A 84 2.884 3.346 2.839 1.00 33.20 H new ATOM 0 HG11 VAL A 84 1.980 4.809 4.604 1.00 22.14 H new ATOM 0 HG12 VAL A 84 2.762 3.352 5.264 1.00 22.14 H new ATOM 0 HG13 VAL A 84 3.601 4.920 5.331 1.00 22.14 H new ATOM 0 HG21 VAL A 84 2.748 5.804 2.450 1.00 52.21 H new ATOM 0 HG22 VAL A 84 4.431 5.973 3.005 1.00 52.21 H new ATOM 0 HG23 VAL A 84 4.070 5.052 1.525 1.00 52.21 H new ATOM 1445 N THR A 85 5.915 1.690 5.094 1.00 65.31 N ATOM 1446 CA THR A 85 5.956 0.499 5.960 1.00 62.30 C ATOM 1447 C THR A 85 5.298 0.801 7.304 1.00 3.34 C ATOM 1448 O THR A 85 4.534 -0.010 7.844 1.00 61.23 O ATOM 1449 CB THR A 85 7.425 -0.001 6.175 1.00 61.52 C ATOM 1450 OG1 THR A 85 8.239 1.057 6.711 1.00 23.31 O ATOM 1451 CG2 THR A 85 8.050 -0.512 4.862 1.00 1.03 C ATOM 0 H THR A 85 6.777 2.235 5.096 1.00 65.31 H new ATOM 0 HA THR A 85 5.402 -0.297 5.462 1.00 62.30 H new ATOM 0 HB THR A 85 7.386 -0.830 6.882 1.00 61.52 H new ATOM 0 HG1 THR A 85 9.154 0.731 6.842 1.00 23.31 H new ATOM 0 HG21 THR A 85 9.069 -0.850 5.051 1.00 1.03 H new ATOM 0 HG22 THR A 85 7.458 -1.342 4.476 1.00 1.03 H new ATOM 0 HG23 THR A 85 8.066 0.294 4.129 1.00 1.03 H new ATOM 1459 N ASP A 86 5.582 1.996 7.821 1.00 4.31 N ATOM 1460 CA ASP A 86 5.117 2.431 9.144 1.00 41.44 C ATOM 1461 C ASP A 86 4.006 3.489 9.003 1.00 65.15 C ATOM 1462 O ASP A 86 3.901 4.159 7.968 1.00 72.13 O ATOM 1463 CB ASP A 86 6.313 2.990 9.960 1.00 20.13 C ATOM 1464 CG ASP A 86 6.042 3.034 11.473 1.00 70.44 C ATOM 1465 OD1 ASP A 86 6.297 2.016 12.157 1.00 71.22 O ATOM 1466 OD2 ASP A 86 5.566 4.065 11.981 1.00 54.12 O ATOM 0 H ASP A 86 6.143 2.695 7.334 1.00 4.31 H new ATOM 0 HA ASP A 86 4.700 1.576 9.676 1.00 41.44 H new ATOM 0 HB2 ASP A 86 7.193 2.375 9.772 1.00 20.13 H new ATOM 0 HB3 ASP A 86 6.546 3.995 9.609 1.00 20.13 H new ATOM 1471 N GLU A 87 3.183 3.611 10.052 1.00 34.54 N ATOM 1472 CA GLU A 87 2.110 4.620 10.159 1.00 60.24 C ATOM 1473 C GLU A 87 2.667 6.050 10.094 1.00 51.43 C ATOM 1474 O GLU A 87 2.062 6.926 9.477 1.00 71.11 O ATOM 1475 CB GLU A 87 1.359 4.412 11.490 1.00 40.02 C ATOM 1476 CG GLU A 87 0.287 5.468 11.825 1.00 23.32 C ATOM 1477 CD GLU A 87 -0.261 5.316 13.250 1.00 3.14 C ATOM 1478 OE1 GLU A 87 0.326 5.906 14.183 1.00 52.21 O ATOM 1479 OE2 GLU A 87 -1.266 4.605 13.444 1.00 50.12 O ATOM 0 H GLU A 87 3.242 3.002 10.868 1.00 34.54 H new ATOM 0 HA GLU A 87 1.431 4.493 9.316 1.00 60.24 H new ATOM 0 HB2 GLU A 87 0.883 3.432 11.468 1.00 40.02 H new ATOM 0 HB3 GLU A 87 2.089 4.393 12.299 1.00 40.02 H new ATOM 0 HG2 GLU A 87 0.713 6.464 11.707 1.00 23.32 H new ATOM 0 HG3 GLU A 87 -0.534 5.387 11.113 1.00 23.32 H new ATOM 1486 N ASP A 88 3.826 6.260 10.744 1.00 22.42 N ATOM 1487 CA ASP A 88 4.544 7.554 10.756 1.00 31.43 C ATOM 1488 C ASP A 88 4.905 8.015 9.323 1.00 74.31 C ATOM 1489 O ASP A 88 4.950 9.213 9.047 1.00 12.52 O ATOM 1490 CB ASP A 88 5.822 7.444 11.638 1.00 62.13 C ATOM 1491 CG ASP A 88 6.465 8.809 11.961 1.00 53.20 C ATOM 1492 OD1 ASP A 88 6.014 9.482 12.909 1.00 2.43 O ATOM 1493 OD2 ASP A 88 7.430 9.212 11.286 1.00 2.14 O ATOM 0 H ASP A 88 4.297 5.532 11.281 1.00 22.42 H new ATOM 0 HA ASP A 88 3.882 8.307 11.183 1.00 31.43 H new ATOM 0 HB2 ASP A 88 5.568 6.941 12.571 1.00 62.13 H new ATOM 0 HB3 ASP A 88 6.554 6.818 11.127 1.00 62.13 H new ATOM 1498 N GLN A 89 5.125 7.031 8.416 1.00 44.04 N ATOM 1499 CA GLN A 89 5.384 7.289 6.979 1.00 55.41 C ATOM 1500 C GLN A 89 4.091 7.756 6.278 1.00 65.11 C ATOM 1501 O GLN A 89 4.124 8.647 5.427 1.00 74.31 O ATOM 1502 CB GLN A 89 5.924 6.011 6.269 1.00 62.03 C ATOM 1503 CG GLN A 89 7.096 5.305 6.969 1.00 44.50 C ATOM 1504 CD GLN A 89 8.331 6.188 7.137 1.00 73.32 C ATOM 1505 OE1 GLN A 89 8.501 6.863 8.154 1.00 4.40 O ATOM 1506 NE2 GLN A 89 9.200 6.195 6.132 1.00 31.20 N ATOM 0 H GLN A 89 5.128 6.041 8.660 1.00 44.04 H new ATOM 0 HA GLN A 89 6.139 8.072 6.912 1.00 55.41 H new ATOM 0 HB2 GLN A 89 5.104 5.300 6.167 1.00 62.03 H new ATOM 0 HB3 GLN A 89 6.237 6.283 5.261 1.00 62.03 H new ATOM 0 HG2 GLN A 89 6.769 4.962 7.951 1.00 44.50 H new ATOM 0 HG3 GLN A 89 7.369 4.418 6.397 1.00 44.50 H new ATOM 0 HE21 GLN A 89 9.028 5.624 5.305 1.00 31.20 H new ATOM 0 HE22 GLN A 89 10.040 6.772 6.188 1.00 31.20 H new ATOM 1515 N ALA A 90 2.956 7.127 6.659 1.00 12.21 N ATOM 1516 CA ALA A 90 1.618 7.452 6.113 1.00 3.35 C ATOM 1517 C ALA A 90 1.160 8.850 6.549 1.00 5.30 C ATOM 1518 O ALA A 90 0.550 9.584 5.770 1.00 30.22 O ATOM 1519 CB ALA A 90 0.587 6.388 6.535 1.00 34.11 C ATOM 0 H ALA A 90 2.942 6.380 7.353 1.00 12.21 H new ATOM 0 HA ALA A 90 1.694 7.451 5.026 1.00 3.35 H new ATOM 0 HB1 ALA A 90 -0.389 6.644 6.124 1.00 34.11 H new ATOM 0 HB2 ALA A 90 0.895 5.413 6.157 1.00 34.11 H new ATOM 0 HB3 ALA A 90 0.525 6.353 7.623 1.00 34.11 H new ATOM 1525 N LYS A 91 1.493 9.215 7.797 1.00 31.14 N ATOM 1526 CA LYS A 91 1.179 10.531 8.372 1.00 54.51 C ATOM 1527 C LYS A 91 2.119 11.606 7.791 1.00 15.40 C ATOM 1528 O LYS A 91 1.736 12.777 7.672 1.00 44.44 O ATOM 1529 CB LYS A 91 1.303 10.478 9.919 1.00 63.00 C ATOM 1530 CG LYS A 91 0.363 9.454 10.602 1.00 65.21 C ATOM 1531 CD LYS A 91 0.547 9.387 12.140 1.00 72.23 C ATOM 1532 CE LYS A 91 0.153 10.690 12.852 1.00 1.41 C ATOM 1533 NZ LYS A 91 0.421 10.628 14.317 1.00 31.44 N ATOM 0 H LYS A 91 1.992 8.600 8.440 1.00 31.14 H new ATOM 0 HA LYS A 91 0.154 10.794 8.113 1.00 54.51 H new ATOM 0 HB2 LYS A 91 2.333 10.238 10.181 1.00 63.00 H new ATOM 0 HB3 LYS A 91 1.095 11.469 10.322 1.00 63.00 H new ATOM 0 HG2 LYS A 91 -0.671 9.714 10.377 1.00 65.21 H new ATOM 0 HG3 LYS A 91 0.543 8.466 10.178 1.00 65.21 H new ATOM 0 HD2 LYS A 91 -0.053 8.568 12.536 1.00 72.23 H new ATOM 0 HD3 LYS A 91 1.588 9.157 12.366 1.00 72.23 H new ATOM 0 HE2 LYS A 91 0.706 11.522 12.417 1.00 1.41 H new ATOM 0 HE3 LYS A 91 -0.906 10.889 12.685 1.00 1.41 H new ATOM 0 HZ1 LYS A 91 0.141 11.527 14.759 1.00 31.44 H new ATOM 0 HZ2 LYS A 91 -0.126 9.850 14.737 1.00 31.44 H new ATOM 0 HZ3 LYS A 91 1.435 10.464 14.478 1.00 31.44 H new ATOM 1547 N GLN A 92 3.346 11.187 7.423 1.00 2.01 N ATOM 1548 CA GLN A 92 4.372 12.081 6.864 1.00 52.51 C ATOM 1549 C GLN A 92 4.017 12.494 5.421 1.00 3.01 C ATOM 1550 O GLN A 92 4.127 13.673 5.061 1.00 41.22 O ATOM 1551 CB GLN A 92 5.755 11.385 6.894 1.00 14.44 C ATOM 1552 CG GLN A 92 6.942 12.257 6.438 1.00 71.53 C ATOM 1553 CD GLN A 92 7.109 13.534 7.266 1.00 52.32 C ATOM 1554 OE1 GLN A 92 7.786 13.540 8.295 1.00 4.35 O ATOM 1555 NE2 GLN A 92 6.507 14.628 6.813 1.00 71.44 N ATOM 0 H GLN A 92 3.651 10.217 7.506 1.00 2.01 H new ATOM 0 HA GLN A 92 4.411 12.982 7.476 1.00 52.51 H new ATOM 0 HB2 GLN A 92 5.948 11.040 7.910 1.00 14.44 H new ATOM 0 HB3 GLN A 92 5.711 10.499 6.260 1.00 14.44 H new ATOM 0 HG2 GLN A 92 7.859 11.671 6.498 1.00 71.53 H new ATOM 0 HG3 GLN A 92 6.805 12.527 5.391 1.00 71.53 H new ATOM 0 HE21 GLN A 92 5.954 14.588 5.957 1.00 71.44 H new ATOM 0 HE22 GLN A 92 6.598 15.508 7.321 1.00 71.44 H new ATOM 1564 N ILE A 93 3.622 11.504 4.593 1.00 31.35 N ATOM 1565 CA ILE A 93 3.175 11.770 3.212 1.00 5.34 C ATOM 1566 C ILE A 93 1.854 12.579 3.188 1.00 44.50 C ATOM 1567 O ILE A 93 1.585 13.275 2.222 1.00 0.02 O ATOM 1568 CB ILE A 93 3.057 10.465 2.335 1.00 45.21 C ATOM 1569 CG1 ILE A 93 1.958 9.513 2.880 1.00 53.02 C ATOM 1570 CG2 ILE A 93 4.427 9.742 2.240 1.00 32.11 C ATOM 1571 CD1 ILE A 93 1.747 8.245 2.067 1.00 20.52 C ATOM 0 H ILE A 93 3.604 10.519 4.856 1.00 31.35 H new ATOM 0 HA ILE A 93 3.957 12.378 2.756 1.00 5.34 H new ATOM 0 HB ILE A 93 2.760 10.764 1.330 1.00 45.21 H new ATOM 0 HG12 ILE A 93 2.214 9.233 3.902 1.00 53.02 H new ATOM 0 HG13 ILE A 93 1.016 10.059 2.926 1.00 53.02 H new ATOM 0 HG21 ILE A 93 4.323 8.844 1.631 1.00 32.11 H new ATOM 0 HG22 ILE A 93 5.159 10.408 1.783 1.00 32.11 H new ATOM 0 HG23 ILE A 93 4.762 9.465 3.239 1.00 32.11 H new ATOM 0 HD11 ILE A 93 0.961 7.645 2.526 1.00 20.52 H new ATOM 0 HD12 ILE A 93 1.456 8.509 1.050 1.00 20.52 H new ATOM 0 HD13 ILE A 93 2.673 7.671 2.042 1.00 20.52 H new ATOM 1583 N LEU A 94 1.052 12.511 4.274 1.00 71.23 N ATOM 1584 CA LEU A 94 -0.101 13.425 4.454 1.00 74.24 C ATOM 1585 C LEU A 94 0.388 14.884 4.601 1.00 31.31 C ATOM 1586 O LEU A 94 -0.149 15.798 3.956 1.00 42.13 O ATOM 1587 CB LEU A 94 -0.971 13.007 5.678 1.00 21.44 C ATOM 1588 CG LEU A 94 -1.794 11.693 5.513 1.00 14.52 C ATOM 1589 CD1 LEU A 94 -2.453 11.269 6.846 1.00 41.43 C ATOM 1590 CD2 LEU A 94 -2.838 11.834 4.381 1.00 22.20 C ATOM 0 H LEU A 94 1.179 11.841 5.032 1.00 71.23 H new ATOM 0 HA LEU A 94 -0.729 13.356 3.566 1.00 74.24 H new ATOM 0 HB2 LEU A 94 -0.317 12.897 6.543 1.00 21.44 H new ATOM 0 HB3 LEU A 94 -1.662 13.820 5.902 1.00 21.44 H new ATOM 0 HG LEU A 94 -1.104 10.899 5.229 1.00 14.52 H new ATOM 0 HD11 LEU A 94 -3.019 10.350 6.696 1.00 41.43 H new ATOM 0 HD12 LEU A 94 -1.681 11.101 7.597 1.00 41.43 H new ATOM 0 HD13 LEU A 94 -3.125 12.057 7.187 1.00 41.43 H new ATOM 0 HD21 LEU A 94 -3.399 10.904 4.286 1.00 22.20 H new ATOM 0 HD22 LEU A 94 -3.523 12.649 4.617 1.00 22.20 H new ATOM 0 HD23 LEU A 94 -2.329 12.049 3.441 1.00 22.20 H new ATOM 1602 N GLU A 95 1.444 15.088 5.427 1.00 0.30 N ATOM 1603 CA GLU A 95 2.119 16.403 5.557 1.00 51.01 C ATOM 1604 C GLU A 95 2.780 16.823 4.228 1.00 42.42 C ATOM 1605 O GLU A 95 2.864 18.010 3.910 1.00 70.10 O ATOM 1606 CB GLU A 95 3.207 16.393 6.668 1.00 22.34 C ATOM 1607 CG GLU A 95 2.713 15.988 8.070 1.00 22.15 C ATOM 1608 CD GLU A 95 3.768 16.195 9.178 1.00 74.42 C ATOM 1609 OE1 GLU A 95 4.929 15.792 8.989 1.00 55.50 O ATOM 1610 OE2 GLU A 95 3.434 16.776 10.238 1.00 12.53 O ATOM 0 H GLU A 95 1.847 14.357 6.014 1.00 0.30 H new ATOM 0 HA GLU A 95 1.343 17.118 5.828 1.00 51.01 H new ATOM 0 HB2 GLU A 95 4.002 15.709 6.369 1.00 22.34 H new ATOM 0 HB3 GLU A 95 3.649 17.388 6.730 1.00 22.34 H new ATOM 0 HG2 GLU A 95 1.823 16.567 8.314 1.00 22.15 H new ATOM 0 HG3 GLU A 95 2.416 14.939 8.053 1.00 22.15 H new ATOM 1617 N ASP A 96 3.201 15.818 3.451 1.00 54.05 N ATOM 1618 CA ASP A 96 3.979 16.034 2.227 1.00 73.12 C ATOM 1619 C ASP A 96 3.062 16.389 1.041 1.00 21.31 C ATOM 1620 O ASP A 96 3.438 17.168 0.174 1.00 52.22 O ATOM 1621 CB ASP A 96 4.857 14.811 1.901 1.00 54.30 C ATOM 1622 CG ASP A 96 5.792 15.063 0.709 1.00 11.34 C ATOM 1623 OD1 ASP A 96 6.719 15.908 0.838 1.00 54.02 O ATOM 1624 OD2 ASP A 96 5.605 14.441 -0.358 1.00 51.35 O ATOM 0 H ASP A 96 3.012 14.836 3.653 1.00 54.05 H new ATOM 0 HA ASP A 96 4.642 16.882 2.402 1.00 73.12 H new ATOM 0 HB2 ASP A 96 5.451 14.550 2.777 1.00 54.30 H new ATOM 0 HB3 ASP A 96 4.217 13.956 1.683 1.00 54.30 H new ATOM 1629 N LEU A 97 1.843 15.833 1.036 1.00 33.33 N ATOM 1630 CA LEU A 97 0.845 16.070 -0.031 1.00 22.11 C ATOM 1631 C LEU A 97 0.209 17.476 0.116 1.00 20.44 C ATOM 1632 O LEU A 97 -0.168 18.095 -0.889 1.00 2.12 O ATOM 1633 CB LEU A 97 -0.239 14.927 -0.034 1.00 30.53 C ATOM 1634 CG LEU A 97 0.029 13.685 -0.974 1.00 52.51 C ATOM 1635 CD1 LEU A 97 1.474 13.155 -0.864 1.00 52.02 C ATOM 1636 CD2 LEU A 97 -1.000 12.554 -0.703 1.00 12.00 C ATOM 0 H LEU A 97 1.515 15.205 1.770 1.00 33.33 H new ATOM 0 HA LEU A 97 1.349 16.045 -0.997 1.00 22.11 H new ATOM 0 HB2 LEU A 97 -0.348 14.561 0.987 1.00 30.53 H new ATOM 0 HB3 LEU A 97 -1.195 15.367 -0.319 1.00 30.53 H new ATOM 0 HG LEU A 97 -0.098 14.034 -1.999 1.00 52.51 H new ATOM 0 HD11 LEU A 97 1.601 12.302 -1.531 1.00 52.02 H new ATOM 0 HD12 LEU A 97 2.173 13.943 -1.145 1.00 52.02 H new ATOM 0 HD13 LEU A 97 1.671 12.845 0.162 1.00 52.02 H new ATOM 0 HD21 LEU A 97 -0.795 11.710 -1.362 1.00 12.00 H new ATOM 0 HD22 LEU A 97 -0.921 12.231 0.335 1.00 12.00 H new ATOM 0 HD23 LEU A 97 -2.007 12.926 -0.892 1.00 12.00 H new ATOM 1648 N LYS A 98 0.127 17.992 1.370 1.00 13.45 N ATOM 1649 CA LYS A 98 -0.487 19.318 1.656 1.00 71.54 C ATOM 1650 C LYS A 98 0.504 20.472 1.397 1.00 32.22 C ATOM 1651 O LYS A 98 0.109 21.536 0.924 1.00 3.23 O ATOM 1652 CB LYS A 98 -1.109 19.369 3.093 1.00 74.43 C ATOM 1653 CG LYS A 98 -0.170 19.122 4.303 1.00 72.25 C ATOM 1654 CD LYS A 98 0.553 20.391 4.826 1.00 41.44 C ATOM 1655 CE LYS A 98 1.448 20.099 6.042 1.00 43.01 C ATOM 1656 NZ LYS A 98 2.127 21.323 6.558 1.00 54.32 N ATOM 0 H LYS A 98 0.477 17.512 2.199 1.00 13.45 H new ATOM 0 HA LYS A 98 -1.312 19.456 0.957 1.00 71.54 H new ATOM 0 HB2 LYS A 98 -1.570 20.348 3.223 1.00 74.43 H new ATOM 0 HB3 LYS A 98 -1.910 18.631 3.136 1.00 74.43 H new ATOM 0 HG2 LYS A 98 -0.753 18.690 5.117 1.00 72.25 H new ATOM 0 HG3 LYS A 98 0.579 18.383 4.020 1.00 72.25 H new ATOM 0 HD2 LYS A 98 1.159 20.816 4.026 1.00 41.44 H new ATOM 0 HD3 LYS A 98 -0.189 21.142 5.097 1.00 41.44 H new ATOM 0 HE2 LYS A 98 0.844 19.660 6.836 1.00 43.01 H new ATOM 0 HE3 LYS A 98 2.200 19.359 5.767 1.00 43.01 H new ATOM 0 HZ1 LYS A 98 2.718 21.073 7.377 1.00 54.32 H new ATOM 0 HZ2 LYS A 98 2.725 21.729 5.811 1.00 54.32 H new ATOM 0 HZ3 LYS A 98 1.412 22.021 6.847 1.00 54.32 H new