USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 2 SER OG : rot -65:sc= 0.47 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -157:sc= 0.257 (180deg=-0.0421) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 12 TYR OH : rot 111:sc= -0.32 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.21) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -177:sc= -3.25 (180deg=-3.25) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0012) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -8.755 9.006 -17.722 1.00 0.00 N ATOM 2 CA SER A 2 -8.365 8.841 -16.294 1.00 0.00 C ATOM 3 C SER A 2 -7.813 7.430 -16.081 1.00 0.00 C ATOM 4 O SER A 2 -8.553 6.490 -15.869 1.00 0.00 O ATOM 5 CB SER A 2 -9.590 9.047 -15.403 1.00 0.00 C ATOM 6 OG SER A 2 -9.461 8.245 -14.235 1.00 0.00 O ATOM 0 HA SER A 2 -7.602 9.576 -16.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.682 10.098 -15.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.497 8.779 -15.944 1.00 0.00 H new ATOM 0 HG SER A 2 -9.472 7.298 -14.486 1.00 0.00 H new ATOM 12 N ASP A 3 -6.520 7.272 -16.138 1.00 0.00 N ATOM 13 CA ASP A 3 -5.928 5.919 -15.942 1.00 0.00 C ATOM 14 C ASP A 3 -5.372 5.798 -14.523 1.00 0.00 C ATOM 15 O ASP A 3 -4.717 6.690 -14.022 1.00 0.00 O ATOM 16 CB ASP A 3 -4.801 5.701 -16.953 1.00 0.00 C ATOM 17 CG ASP A 3 -5.384 5.154 -18.257 1.00 0.00 C ATOM 18 OD1 ASP A 3 -6.432 4.529 -18.198 1.00 0.00 O ATOM 19 OD2 ASP A 3 -4.776 5.370 -19.292 1.00 0.00 O ATOM 0 H ASP A 3 -5.848 8.020 -16.312 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.701 5.165 -16.091 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.280 6.640 -17.141 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.066 5.004 -16.550 1.00 0.00 H new ATOM 24 N LYS A 4 -5.627 4.696 -13.872 1.00 0.00 N ATOM 25 CA LYS A 4 -5.121 4.500 -12.491 1.00 0.00 C ATOM 26 C LYS A 4 -3.709 3.900 -12.563 1.00 0.00 C ATOM 27 O LYS A 4 -3.346 3.306 -13.557 1.00 0.00 O ATOM 28 CB LYS A 4 -6.065 3.539 -11.770 1.00 0.00 C ATOM 29 CG LYS A 4 -6.415 4.085 -10.382 1.00 0.00 C ATOM 30 CD LYS A 4 -7.933 4.238 -10.259 1.00 0.00 C ATOM 31 CE LYS A 4 -8.295 4.626 -8.822 1.00 0.00 C ATOM 32 NZ LYS A 4 -9.745 4.373 -8.586 1.00 0.00 N ATOM 0 H LYS A 4 -6.170 3.917 -14.245 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.079 5.446 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.974 3.403 -12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.597 2.559 -11.676 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.044 3.411 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.928 5.048 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.289 4.999 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.426 3.304 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.696 4.050 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.066 5.678 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.989 4.637 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.309 4.941 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.950 3.364 -8.733 1.00 0.00 H new ATOM 46 N PRO A 5 -2.951 4.080 -11.510 1.00 0.00 N ATOM 47 CA PRO A 5 -1.571 3.574 -11.428 1.00 0.00 C ATOM 48 C PRO A 5 -1.540 2.070 -11.170 1.00 0.00 C ATOM 49 O PRO A 5 -2.533 1.463 -10.821 1.00 0.00 O ATOM 50 CB PRO A 5 -0.962 4.347 -10.275 1.00 0.00 C ATOM 51 CG PRO A 5 -2.136 4.834 -9.416 1.00 0.00 C ATOM 52 CD PRO A 5 -3.392 4.800 -10.305 1.00 0.00 C ATOM 0 HA PRO A 5 -1.022 3.714 -12.359 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.291 3.714 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.372 5.188 -10.639 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.265 4.195 -8.542 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.952 5.843 -9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.217 4.286 -9.812 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.740 5.805 -10.544 1.00 0.00 H new ATOM 60 N LYS A 6 -0.402 1.468 -11.359 1.00 0.00 N ATOM 61 CA LYS A 6 -0.280 -0.002 -11.149 1.00 0.00 C ATOM 62 C LYS A 6 -0.299 -0.338 -9.656 1.00 0.00 C ATOM 63 O LYS A 6 0.729 -0.529 -9.040 1.00 0.00 O ATOM 64 CB LYS A 6 1.025 -0.483 -11.764 1.00 0.00 C ATOM 65 CG LYS A 6 2.184 0.370 -11.243 1.00 0.00 C ATOM 66 CD LYS A 6 2.663 1.305 -12.354 1.00 0.00 C ATOM 67 CE LYS A 6 3.783 0.624 -13.142 1.00 0.00 C ATOM 68 NZ LYS A 6 3.455 0.649 -14.596 1.00 0.00 N ATOM 0 H LYS A 6 0.457 1.934 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.125 -0.500 -11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.191 -1.531 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.972 -0.418 -12.851 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.864 0.950 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.002 -0.270 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.835 1.553 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.021 2.242 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.730 1.134 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.906 -0.405 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.970 -0.113 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.432 0.511 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.734 1.566 -14.999 1.00 0.00 H new ATOM 82 N ARG A 7 -1.473 -0.400 -9.085 1.00 0.00 N ATOM 83 CA ARG A 7 -1.622 -0.715 -7.639 1.00 0.00 C ATOM 84 C ARG A 7 -0.494 -1.653 -7.152 1.00 0.00 C ATOM 85 O ARG A 7 -0.338 -2.752 -7.645 1.00 0.00 O ATOM 86 CB ARG A 7 -2.976 -1.388 -7.406 1.00 0.00 C ATOM 87 CG ARG A 7 -4.084 -0.333 -7.440 1.00 0.00 C ATOM 88 CD ARG A 7 -5.444 -1.016 -7.288 1.00 0.00 C ATOM 89 NE ARG A 7 -6.422 -0.055 -6.704 1.00 0.00 N ATOM 90 CZ ARG A 7 -6.951 -0.292 -5.534 1.00 0.00 C ATOM 91 NH1 ARG A 7 -6.311 0.046 -4.449 1.00 0.00 N ATOM 92 NH2 ARG A 7 -8.118 -0.869 -5.451 1.00 0.00 N ATOM 0 H ARG A 7 -2.354 -0.241 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.561 0.216 -7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.155 -2.143 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.978 -1.902 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.937 0.390 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.046 0.220 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.797 -1.366 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.353 -1.893 -6.647 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.678 0.788 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.398 0.495 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.724 -0.139 -3.535 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.617 -1.135 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.531 -1.054 -4.537 1.00 0.00 H new ATOM 106 N PRO A 8 0.248 -1.164 -6.190 1.00 0.00 N ATOM 107 CA PRO A 8 1.378 -1.874 -5.569 1.00 0.00 C ATOM 108 C PRO A 8 0.881 -2.924 -4.573 1.00 0.00 C ATOM 109 O PRO A 8 -0.048 -2.696 -3.823 1.00 0.00 O ATOM 110 CB PRO A 8 2.140 -0.754 -4.848 1.00 0.00 C ATOM 111 CG PRO A 8 1.119 0.395 -4.630 1.00 0.00 C ATOM 112 CD PRO A 8 0.014 0.174 -5.648 1.00 0.00 C ATOM 0 HA PRO A 8 1.992 -2.416 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.540 -1.105 -3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.987 -0.414 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.723 0.377 -3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.590 1.368 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.969 0.243 -5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.048 0.928 -6.434 1.00 0.00 H new ATOM 120 N LEU A 9 1.493 -4.074 -4.566 1.00 0.00 N ATOM 121 CA LEU A 9 1.067 -5.143 -3.633 1.00 0.00 C ATOM 122 C LEU A 9 2.240 -6.074 -3.331 1.00 0.00 C ATOM 123 O LEU A 9 3.302 -5.974 -3.912 1.00 0.00 O ATOM 124 CB LEU A 9 -0.087 -5.913 -4.260 1.00 0.00 C ATOM 125 CG LEU A 9 0.182 -6.093 -5.743 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.515 -6.804 -5.898 1.00 0.00 C ATOM 127 CD2 LEU A 9 -0.934 -6.933 -6.363 1.00 0.00 C ATOM 0 H LEU A 9 2.276 -4.318 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 9 0.735 -4.704 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.197 -6.884 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.023 -5.375 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 9 0.214 -5.127 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.731 -6.945 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.303 -6.203 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.469 -7.775 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.742 -7.063 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.967 -7.909 -5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.890 -6.427 -6.225 1.00 0.00 H new ATOM 139 N SER A 10 2.048 -6.962 -2.405 1.00 0.00 N ATOM 140 CA SER A 10 3.136 -7.907 -2.010 1.00 0.00 C ATOM 141 C SER A 10 3.684 -8.667 -3.223 1.00 0.00 C ATOM 142 O SER A 10 3.034 -8.814 -4.245 1.00 0.00 O ATOM 143 CB SER A 10 2.588 -8.911 -0.996 1.00 0.00 C ATOM 144 OG SER A 10 3.627 -9.797 -0.603 1.00 0.00 O ATOM 0 H SER A 10 1.173 -7.080 -1.894 1.00 0.00 H new ATOM 0 HA SER A 10 3.949 -7.327 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.193 -8.387 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.762 -9.472 -1.433 1.00 0.00 H new ATOM 0 HG SER A 10 3.279 -10.441 0.049 1.00 0.00 H new ATOM 150 N ALA A 11 4.886 -9.163 -3.100 1.00 0.00 N ATOM 151 CA ALA A 11 5.504 -9.930 -4.215 1.00 0.00 C ATOM 152 C ALA A 11 4.651 -11.167 -4.499 1.00 0.00 C ATOM 153 O ALA A 11 4.383 -11.503 -5.636 1.00 0.00 O ATOM 154 CB ALA A 11 6.915 -10.361 -3.806 1.00 0.00 C ATOM 0 H ALA A 11 5.469 -9.068 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 11 5.560 -9.311 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.374 -10.924 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.517 -9.478 -3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.860 -10.988 -2.916 1.00 0.00 H new ATOM 160 N TYR A 12 4.209 -11.840 -3.470 1.00 0.00 N ATOM 161 CA TYR A 12 3.361 -13.039 -3.671 1.00 0.00 C ATOM 162 C TYR A 12 2.178 -12.653 -4.558 1.00 0.00 C ATOM 163 O TYR A 12 1.603 -13.474 -5.244 1.00 0.00 O ATOM 164 CB TYR A 12 2.867 -13.508 -2.305 1.00 0.00 C ATOM 165 CG TYR A 12 1.706 -14.455 -2.476 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.829 -15.553 -3.332 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.512 -14.239 -1.781 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.760 -16.435 -3.496 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.560 -15.122 -1.945 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.437 -16.222 -2.802 1.00 0.00 C ATOM 171 OH TYR A 12 -1.494 -17.094 -2.964 1.00 0.00 O ATOM 0 H TYR A 12 4.403 -11.605 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 12 3.921 -13.842 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.675 -14.003 -1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.563 -12.651 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.752 -15.719 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.418 -13.391 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.856 -17.282 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.483 -14.955 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.635 -17.595 -2.134 1.00 0.00 H new ATOM 181 N MET A 13 1.821 -11.399 -4.548 1.00 0.00 N ATOM 182 CA MET A 13 0.687 -10.936 -5.389 1.00 0.00 C ATOM 183 C MET A 13 1.139 -10.853 -6.847 1.00 0.00 C ATOM 184 O MET A 13 0.434 -11.265 -7.747 1.00 0.00 O ATOM 185 CB MET A 13 0.235 -9.554 -4.916 1.00 0.00 C ATOM 186 CG MET A 13 -1.131 -9.665 -4.236 1.00 0.00 C ATOM 187 SD MET A 13 -2.320 -10.401 -5.384 1.00 0.00 S ATOM 188 CE MET A 13 -3.136 -11.492 -4.193 1.00 0.00 C ATOM 0 H MET A 13 2.270 -10.673 -3.990 1.00 0.00 H new ATOM 0 HA MET A 13 -0.142 -11.638 -5.304 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.966 -9.139 -4.221 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.176 -8.870 -5.763 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.053 -10.275 -3.336 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.474 -8.679 -3.923 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.923 -12.055 -4.695 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.406 -12.184 -3.774 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.572 -10.895 -3.392 1.00 0.00 H new ATOM 198 N LEU A 14 2.313 -10.327 -7.096 1.00 0.00 N ATOM 199 CA LEU A 14 2.781 -10.239 -8.514 1.00 0.00 C ATOM 200 C LEU A 14 2.699 -11.630 -9.137 1.00 0.00 C ATOM 201 O LEU A 14 2.058 -11.834 -10.148 1.00 0.00 O ATOM 202 CB LEU A 14 4.234 -9.747 -8.599 1.00 0.00 C ATOM 203 CG LEU A 14 4.471 -8.586 -7.624 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.933 -8.135 -7.705 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.568 -7.413 -8.007 1.00 0.00 C ATOM 0 H LEU A 14 2.957 -9.961 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 14 2.147 -9.528 -9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.915 -10.567 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.455 -9.425 -9.617 1.00 0.00 H new ATOM 0 HG LEU A 14 4.245 -8.915 -6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.098 -7.310 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.586 -8.967 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.157 -7.806 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.733 -6.586 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.801 -7.091 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.525 -7.725 -7.956 1.00 0.00 H new ATOM 217 N TRP A 15 3.343 -12.588 -8.533 1.00 0.00 N ATOM 218 CA TRP A 15 3.303 -13.970 -9.079 1.00 0.00 C ATOM 219 C TRP A 15 1.845 -14.422 -9.189 1.00 0.00 C ATOM 220 O TRP A 15 1.470 -15.138 -10.096 1.00 0.00 O ATOM 221 CB TRP A 15 4.061 -14.904 -8.133 1.00 0.00 C ATOM 222 CG TRP A 15 3.851 -16.321 -8.549 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.616 -16.992 -9.439 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.825 -17.250 -8.104 1.00 0.00 C ATOM 225 NE1 TRP A 15 4.123 -18.278 -9.568 1.00 0.00 N ATOM 226 CE2 TRP A 15 3.020 -18.485 -8.764 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.756 -17.141 -7.199 1.00 0.00 C ATOM 228 CZ2 TRP A 15 2.182 -19.575 -8.534 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.910 -18.235 -6.966 1.00 0.00 C ATOM 230 CH2 TRP A 15 1.122 -19.451 -7.632 1.00 0.00 C ATOM 0 H TRP A 15 3.896 -12.473 -7.684 1.00 0.00 H new ATOM 0 HA TRP A 15 3.767 -13.996 -10.065 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.124 -14.665 -8.146 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.714 -14.760 -7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.471 -16.590 -9.963 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.525 -18.986 -10.182 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.585 -16.210 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.351 -20.509 -9.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.090 -18.141 -6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.467 -20.290 -7.448 1.00 0.00 H new ATOM 241 N LEU A 16 1.022 -14.005 -8.266 1.00 0.00 N ATOM 242 CA LEU A 16 -0.414 -14.401 -8.301 1.00 0.00 C ATOM 243 C LEU A 16 -1.046 -13.984 -9.632 1.00 0.00 C ATOM 244 O LEU A 16 -1.834 -14.708 -10.205 1.00 0.00 O ATOM 245 CB LEU A 16 -1.155 -13.710 -7.156 1.00 0.00 C ATOM 246 CG LEU A 16 -1.946 -14.749 -6.364 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.975 -15.416 -7.279 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.985 -15.810 -5.822 1.00 0.00 C ATOM 0 H LEU A 16 1.284 -13.404 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.487 -15.483 -8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.445 -13.202 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.827 -12.948 -7.551 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.460 -14.261 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.539 -16.157 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.658 -14.661 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.462 -15.905 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.546 -16.554 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.474 -16.296 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.250 -15.337 -5.171 1.00 0.00 H new ATOM 260 N ASN A 17 -0.721 -12.818 -10.124 1.00 0.00 N ATOM 261 CA ASN A 17 -1.321 -12.363 -11.407 1.00 0.00 C ATOM 262 C ASN A 17 -0.789 -13.202 -12.572 1.00 0.00 C ATOM 263 O ASN A 17 -1.401 -13.279 -13.618 1.00 0.00 O ATOM 264 CB ASN A 17 -0.970 -10.902 -11.637 1.00 0.00 C ATOM 265 CG ASN A 17 -1.144 -10.116 -10.337 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.135 -10.268 -9.648 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.220 -9.271 -9.971 1.00 0.00 N ATOM 0 H ASN A 17 -0.068 -12.164 -9.693 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.403 -12.481 -11.352 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.058 -10.817 -11.989 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.609 -10.483 -12.414 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.329 -8.739 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.611 -9.143 -10.548 1.00 0.00 H new ATOM 274 N SER A 18 0.345 -13.827 -12.406 1.00 0.00 N ATOM 275 CA SER A 18 0.905 -14.650 -13.517 1.00 0.00 C ATOM 276 C SER A 18 0.407 -16.095 -13.406 1.00 0.00 C ATOM 277 O SER A 18 0.633 -16.905 -14.282 1.00 0.00 O ATOM 278 CB SER A 18 2.429 -14.620 -13.454 1.00 0.00 C ATOM 279 OG SER A 18 2.915 -15.876 -12.995 1.00 0.00 O ATOM 0 H SER A 18 0.906 -13.804 -11.554 1.00 0.00 H new ATOM 0 HA SER A 18 0.574 -14.238 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.839 -14.399 -14.439 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.759 -13.825 -12.785 1.00 0.00 H new ATOM 0 HG SER A 18 3.894 -15.854 -12.957 1.00 0.00 H new ATOM 285 N ALA A 19 -0.268 -16.426 -12.338 1.00 0.00 N ATOM 286 CA ALA A 19 -0.776 -17.820 -12.181 1.00 0.00 C ATOM 287 C ALA A 19 -2.304 -17.812 -12.188 1.00 0.00 C ATOM 288 O ALA A 19 -2.937 -18.848 -12.136 1.00 0.00 O ATOM 289 CB ALA A 19 -0.285 -18.399 -10.853 1.00 0.00 C ATOM 0 H ALA A 19 -0.489 -15.793 -11.569 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.408 -18.430 -13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.657 -19.417 -10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.805 -18.408 -10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.652 -17.785 -10.031 1.00 0.00 H new ATOM 295 N ARG A 20 -2.904 -16.655 -12.243 1.00 0.00 N ATOM 296 CA ARG A 20 -4.392 -16.585 -12.243 1.00 0.00 C ATOM 297 C ARG A 20 -4.940 -17.159 -13.549 1.00 0.00 C ATOM 298 O ARG A 20 -6.115 -17.440 -13.666 1.00 0.00 O ATOM 299 CB ARG A 20 -4.831 -15.127 -12.103 1.00 0.00 C ATOM 300 CG ARG A 20 -4.344 -14.329 -13.314 1.00 0.00 C ATOM 301 CD ARG A 20 -5.549 -13.825 -14.110 1.00 0.00 C ATOM 302 NE ARG A 20 -5.076 -13.051 -15.291 1.00 0.00 N ATOM 303 CZ ARG A 20 -5.636 -11.912 -15.589 1.00 0.00 C ATOM 304 NH1 ARG A 20 -5.470 -10.881 -14.807 1.00 0.00 N ATOM 305 NH2 ARG A 20 -6.363 -11.802 -16.667 1.00 0.00 N ATOM 0 H ARG A 20 -2.427 -15.754 -12.288 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.779 -17.167 -11.407 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.917 -15.069 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.425 -14.700 -11.186 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.733 -13.488 -12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.713 -14.955 -13.946 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.161 -14.666 -14.435 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.178 -13.197 -13.479 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.315 -13.412 -15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.903 -10.967 -13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.908 -9.989 -15.039 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.494 -12.608 -17.278 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.800 -10.910 -16.898 1.00 0.00 H new ATOM 319 N GLU A 21 -4.104 -17.342 -14.531 1.00 0.00 N ATOM 320 CA GLU A 21 -4.593 -17.904 -15.818 1.00 0.00 C ATOM 321 C GLU A 21 -4.690 -19.421 -15.689 1.00 0.00 C ATOM 322 O GLU A 21 -5.764 -19.990 -15.721 1.00 0.00 O ATOM 323 CB GLU A 21 -3.620 -17.540 -16.942 1.00 0.00 C ATOM 324 CG GLU A 21 -4.272 -17.827 -18.296 1.00 0.00 C ATOM 325 CD GLU A 21 -4.538 -16.508 -19.024 1.00 0.00 C ATOM 326 OE1 GLU A 21 -5.560 -15.899 -18.751 1.00 0.00 O ATOM 327 OE2 GLU A 21 -3.716 -16.129 -19.841 1.00 0.00 O ATOM 0 H GLU A 21 -3.107 -17.128 -14.498 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.574 -17.492 -16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.347 -16.487 -16.874 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.700 -18.115 -16.841 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.622 -18.462 -18.898 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.206 -18.371 -18.154 1.00 0.00 H new ATOM 334 N SER A 22 -3.581 -20.078 -15.529 1.00 0.00 N ATOM 335 CA SER A 22 -3.614 -21.556 -15.381 1.00 0.00 C ATOM 336 C SER A 22 -4.376 -21.905 -14.103 1.00 0.00 C ATOM 337 O SER A 22 -4.748 -23.039 -13.879 1.00 0.00 O ATOM 338 CB SER A 22 -2.187 -22.098 -15.289 1.00 0.00 C ATOM 339 OG SER A 22 -1.518 -21.480 -14.198 1.00 0.00 O ATOM 0 H SER A 22 -2.653 -19.657 -15.494 1.00 0.00 H new ATOM 0 HA SER A 22 -4.109 -22.002 -16.244 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.205 -23.179 -15.154 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.651 -21.902 -16.217 1.00 0.00 H new ATOM 0 HG SER A 22 -0.604 -21.827 -14.136 1.00 0.00 H new ATOM 345 N ILE A 23 -4.613 -20.932 -13.263 1.00 0.00 N ATOM 346 CA ILE A 23 -5.353 -21.200 -12.002 1.00 0.00 C ATOM 347 C ILE A 23 -6.855 -21.147 -12.278 1.00 0.00 C ATOM 348 O ILE A 23 -7.599 -22.027 -11.892 1.00 0.00 O ATOM 349 CB ILE A 23 -4.983 -20.131 -10.963 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.659 -20.508 -10.294 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.078 -20.029 -9.893 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.198 -19.362 -9.392 1.00 0.00 C ATOM 0 H ILE A 23 -4.324 -19.963 -13.399 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.089 -22.186 -11.620 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.885 -19.169 -11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.782 -21.419 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.903 -20.716 -11.051 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.803 -19.268 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.022 -19.756 -10.364 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.187 -20.990 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.255 -19.631 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.059 -18.462 -9.990 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.951 -19.176 -8.626 1.00 0.00 H new ATOM 364 N LYS A 24 -7.311 -20.110 -12.923 1.00 0.00 N ATOM 365 CA LYS A 24 -8.759 -19.992 -13.195 1.00 0.00 C ATOM 366 C LYS A 24 -9.169 -20.974 -14.297 1.00 0.00 C ATOM 367 O LYS A 24 -10.333 -21.279 -14.465 1.00 0.00 O ATOM 368 CB LYS A 24 -9.043 -18.565 -13.644 1.00 0.00 C ATOM 369 CG LYS A 24 -9.161 -17.666 -12.416 1.00 0.00 C ATOM 370 CD LYS A 24 -9.853 -16.356 -12.801 1.00 0.00 C ATOM 371 CE LYS A 24 -11.370 -16.554 -12.781 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.979 -15.826 -13.931 1.00 0.00 N ATOM 0 H LYS A 24 -6.738 -19.341 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.328 -20.226 -12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.243 -18.210 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.965 -18.530 -14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.729 -18.173 -11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.172 -17.460 -12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.570 -15.565 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.530 -16.040 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.610 -17.616 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.784 -16.185 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.010 -15.959 -13.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.760 -14.812 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.592 -16.198 -14.822 1.00 0.00 H new ATOM 386 N ARG A 25 -8.226 -21.468 -15.052 1.00 0.00 N ATOM 387 CA ARG A 25 -8.572 -22.421 -16.143 1.00 0.00 C ATOM 388 C ARG A 25 -8.677 -23.841 -15.580 1.00 0.00 C ATOM 389 O ARG A 25 -9.430 -24.658 -16.073 1.00 0.00 O ATOM 390 CB ARG A 25 -7.489 -22.373 -17.224 1.00 0.00 C ATOM 391 CG ARG A 25 -7.716 -21.148 -18.115 1.00 0.00 C ATOM 392 CD ARG A 25 -6.678 -21.117 -19.230 1.00 0.00 C ATOM 393 NE ARG A 25 -5.404 -21.719 -18.747 1.00 0.00 N ATOM 394 CZ ARG A 25 -4.750 -22.557 -19.503 1.00 0.00 C ATOM 395 NH1 ARG A 25 -4.574 -22.289 -20.769 1.00 0.00 N ATOM 396 NH2 ARG A 25 -4.276 -23.662 -18.996 1.00 0.00 N ATOM 0 H ARG A 25 -7.233 -21.253 -14.960 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.531 -22.139 -16.577 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.502 -22.324 -16.764 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.517 -23.283 -17.823 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.719 -21.178 -18.541 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.650 -20.237 -17.520 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.045 -21.666 -20.097 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.507 -20.090 -19.552 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.043 -21.476 -17.825 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.948 -21.426 -21.164 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.063 -22.943 -21.362 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.417 -23.871 -18.008 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.765 -24.317 -19.588 1.00 0.00 H new ATOM 410 N GLU A 26 -7.930 -24.146 -14.553 1.00 0.00 N ATOM 411 CA GLU A 26 -7.994 -25.515 -13.970 1.00 0.00 C ATOM 412 C GLU A 26 -8.949 -25.521 -12.774 1.00 0.00 C ATOM 413 O GLU A 26 -9.259 -26.558 -12.223 1.00 0.00 O ATOM 414 CB GLU A 26 -6.596 -25.940 -13.512 1.00 0.00 C ATOM 415 CG GLU A 26 -6.227 -25.202 -12.222 1.00 0.00 C ATOM 416 CD GLU A 26 -4.740 -25.405 -11.925 1.00 0.00 C ATOM 417 OE1 GLU A 26 -4.330 -26.548 -11.810 1.00 0.00 O ATOM 418 OE2 GLU A 26 -4.037 -24.414 -11.817 1.00 0.00 O ATOM 0 H GLU A 26 -7.280 -23.507 -14.094 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.357 -26.213 -14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.569 -27.017 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.865 -25.719 -14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.447 -24.139 -12.323 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.828 -25.574 -11.393 1.00 0.00 H new ATOM 425 N ASN A 27 -9.413 -24.372 -12.366 1.00 0.00 N ATOM 426 CA ASN A 27 -10.341 -24.316 -11.201 1.00 0.00 C ATOM 427 C ASN A 27 -11.769 -24.054 -11.684 1.00 0.00 C ATOM 428 O ASN A 27 -11.977 -23.446 -12.716 1.00 0.00 O ATOM 429 CB ASN A 27 -9.906 -23.191 -10.259 1.00 0.00 C ATOM 430 CG ASN A 27 -8.474 -23.449 -9.784 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.973 -24.549 -9.900 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.791 -22.474 -9.249 1.00 0.00 N ATOM 0 H ASN A 27 -9.190 -23.471 -12.788 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.312 -25.269 -10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.963 -22.231 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.580 -23.137 -9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.836 -22.636 -8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.212 -21.550 -9.152 1.00 0.00 H new ATOM 439 N PRO A 28 -12.712 -24.529 -10.911 1.00 0.00 N ATOM 440 CA PRO A 28 -14.143 -24.374 -11.206 1.00 0.00 C ATOM 441 C PRO A 28 -14.621 -22.968 -10.852 1.00 0.00 C ATOM 442 O PRO A 28 -15.330 -22.778 -9.884 1.00 0.00 O ATOM 443 CB PRO A 28 -14.812 -25.404 -10.313 1.00 0.00 C ATOM 444 CG PRO A 28 -13.824 -25.694 -9.176 1.00 0.00 C ATOM 445 CD PRO A 28 -12.434 -25.264 -9.666 1.00 0.00 C ATOM 0 HA PRO A 28 -14.371 -24.516 -12.262 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.756 -25.025 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.041 -26.312 -10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.101 -25.146 -8.275 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.832 -26.753 -8.920 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.929 -24.634 -8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.789 -26.124 -9.845 1.00 0.00 H new ATOM 453 N GLY A 29 -14.231 -21.978 -11.609 1.00 0.00 N ATOM 454 CA GLY A 29 -14.663 -20.591 -11.279 1.00 0.00 C ATOM 455 C GLY A 29 -14.463 -20.381 -9.779 1.00 0.00 C ATOM 456 O GLY A 29 -15.154 -19.608 -9.146 1.00 0.00 O ATOM 0 H GLY A 29 -13.638 -22.068 -12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.081 -19.865 -11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.709 -20.443 -11.549 1.00 0.00 H new ATOM 460 N ILE A 30 -13.522 -21.089 -9.214 1.00 0.00 N ATOM 461 CA ILE A 30 -13.248 -20.980 -7.760 1.00 0.00 C ATOM 462 C ILE A 30 -13.394 -19.533 -7.292 1.00 0.00 C ATOM 463 O ILE A 30 -13.310 -18.603 -8.069 1.00 0.00 O ATOM 464 CB ILE A 30 -11.831 -21.461 -7.508 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.515 -21.398 -6.012 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.889 -20.555 -8.271 1.00 0.00 C ATOM 467 CD1 ILE A 30 -10.213 -22.150 -5.735 1.00 0.00 C ATOM 0 H ILE A 30 -12.924 -21.749 -9.711 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.962 -21.588 -7.205 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.718 -22.493 -7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.423 -20.360 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.331 -21.838 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.861 -20.878 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.120 -20.603 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.007 -19.530 -7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.987 -22.106 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -10.322 -23.191 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.401 -21.690 -6.298 1.00 0.00 H new ATOM 479 N LYS A 31 -13.613 -19.341 -6.022 1.00 0.00 N ATOM 480 CA LYS A 31 -13.765 -17.963 -5.489 1.00 0.00 C ATOM 481 C LYS A 31 -12.384 -17.334 -5.289 1.00 0.00 C ATOM 482 O LYS A 31 -11.390 -18.024 -5.168 1.00 0.00 O ATOM 483 CB LYS A 31 -14.493 -18.023 -4.153 1.00 0.00 C ATOM 484 CG LYS A 31 -15.564 -19.113 -4.205 1.00 0.00 C ATOM 485 CD LYS A 31 -16.411 -18.941 -5.466 1.00 0.00 C ATOM 486 CE LYS A 31 -17.417 -20.090 -5.562 1.00 0.00 C ATOM 487 NZ LYS A 31 -17.676 -20.408 -6.995 1.00 0.00 N ATOM 0 H LYS A 31 -13.693 -20.084 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.337 -17.359 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.786 -18.231 -3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.951 -17.059 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.096 -20.097 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.197 -19.057 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.935 -17.986 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.771 -18.928 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.030 -20.970 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.348 -19.815 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.360 -21.189 -7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.063 -19.569 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.786 -20.688 -7.455 1.00 0.00 H new ATOM 501 N VAL A 32 -12.312 -16.033 -5.247 1.00 0.00 N ATOM 502 CA VAL A 32 -11.004 -15.368 -5.049 1.00 0.00 C ATOM 503 C VAL A 32 -10.494 -15.689 -3.639 1.00 0.00 C ATOM 504 O VAL A 32 -9.339 -15.484 -3.323 1.00 0.00 O ATOM 505 CB VAL A 32 -11.170 -13.856 -5.239 1.00 0.00 C ATOM 506 CG1 VAL A 32 -12.539 -13.433 -4.741 1.00 0.00 C ATOM 507 CG2 VAL A 32 -10.111 -13.111 -4.448 1.00 0.00 C ATOM 0 H VAL A 32 -13.109 -15.403 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.278 -15.729 -5.778 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.065 -13.620 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.659 -12.358 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.310 -13.957 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.634 -13.679 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.238 -12.038 -4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.211 -13.351 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.121 -13.408 -4.795 1.00 0.00 H new ATOM 517 N THR A 33 -11.352 -16.191 -2.792 1.00 0.00 N ATOM 518 CA THR A 33 -10.925 -16.528 -1.406 1.00 0.00 C ATOM 519 C THR A 33 -10.100 -17.817 -1.426 1.00 0.00 C ATOM 520 O THR A 33 -9.129 -17.954 -0.707 1.00 0.00 O ATOM 521 CB THR A 33 -12.162 -16.724 -0.527 1.00 0.00 C ATOM 522 OG1 THR A 33 -12.884 -17.865 -0.971 1.00 0.00 O ATOM 523 CG2 THR A 33 -13.054 -15.485 -0.622 1.00 0.00 C ATOM 0 H THR A 33 -12.332 -16.382 -3.002 1.00 0.00 H new ATOM 0 HA THR A 33 -10.319 -15.717 -1.003 1.00 0.00 H new ATOM 0 HB THR A 33 -11.854 -16.872 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.675 -17.991 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.936 -15.623 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.500 -14.611 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.363 -15.337 -1.657 1.00 0.00 H new ATOM 531 N GLU A 34 -10.475 -18.760 -2.247 1.00 0.00 N ATOM 532 CA GLU A 34 -9.709 -20.037 -2.317 1.00 0.00 C ATOM 533 C GLU A 34 -8.685 -19.951 -3.450 1.00 0.00 C ATOM 534 O GLU A 34 -7.787 -20.763 -3.553 1.00 0.00 O ATOM 535 CB GLU A 34 -10.674 -21.194 -2.588 1.00 0.00 C ATOM 536 CG GLU A 34 -11.354 -21.605 -1.280 1.00 0.00 C ATOM 537 CD GLU A 34 -12.183 -22.871 -1.508 1.00 0.00 C ATOM 538 OE1 GLU A 34 -13.327 -22.742 -1.910 1.00 0.00 O ATOM 539 OE2 GLU A 34 -11.658 -23.948 -1.274 1.00 0.00 O ATOM 0 H GLU A 34 -11.279 -18.701 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.194 -20.207 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.423 -20.894 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.134 -22.041 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.604 -21.783 -0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.994 -20.799 -0.922 1.00 0.00 H new ATOM 546 N VAL A 35 -8.811 -18.968 -4.299 1.00 0.00 N ATOM 547 CA VAL A 35 -7.847 -18.822 -5.423 1.00 0.00 C ATOM 548 C VAL A 35 -6.460 -18.498 -4.864 1.00 0.00 C ATOM 549 O VAL A 35 -5.449 -18.802 -5.465 1.00 0.00 O ATOM 550 CB VAL A 35 -8.311 -17.692 -6.341 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.170 -17.273 -7.270 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.497 -18.173 -7.180 1.00 0.00 C ATOM 0 H VAL A 35 -9.543 -18.258 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.798 -19.752 -5.990 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.611 -16.838 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.508 -16.467 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.324 -16.928 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.863 -18.125 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.829 -17.368 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.193 -19.029 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.314 -18.465 -6.521 1.00 0.00 H new ATOM 562 N ALA A 36 -6.405 -17.879 -3.715 1.00 0.00 N ATOM 563 CA ALA A 36 -5.087 -17.533 -3.118 1.00 0.00 C ATOM 564 C ALA A 36 -4.508 -18.757 -2.404 1.00 0.00 C ATOM 565 O ALA A 36 -3.309 -18.945 -2.353 1.00 0.00 O ATOM 566 CB ALA A 36 -5.267 -16.395 -2.113 1.00 0.00 C ATOM 0 H ALA A 36 -7.217 -17.599 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.404 -17.219 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.302 -16.141 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.676 -15.522 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.951 -16.710 -1.325 1.00 0.00 H new ATOM 572 N LYS A 37 -5.347 -19.589 -1.850 1.00 0.00 N ATOM 573 CA LYS A 37 -4.840 -20.793 -1.146 1.00 0.00 C ATOM 574 C LYS A 37 -4.142 -21.711 -2.152 1.00 0.00 C ATOM 575 O LYS A 37 -3.081 -22.243 -1.893 1.00 0.00 O ATOM 576 CB LYS A 37 -6.016 -21.506 -0.497 1.00 0.00 C ATOM 577 CG LYS A 37 -5.642 -22.953 -0.162 1.00 0.00 C ATOM 578 CD LYS A 37 -6.250 -23.897 -1.199 1.00 0.00 C ATOM 579 CE LYS A 37 -5.216 -24.956 -1.592 1.00 0.00 C ATOM 580 NZ LYS A 37 -5.769 -26.314 -1.328 1.00 0.00 N ATOM 0 H LYS A 37 -6.362 -19.484 -1.856 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.121 -20.512 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.312 -20.981 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.874 -21.491 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.558 -23.064 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.003 -23.211 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.141 -24.376 -0.793 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.563 -23.335 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.960 -24.855 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.297 -24.810 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.066 -27.033 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.993 -26.407 -0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.635 -26.451 -1.888 1.00 0.00 H new ATOM 594 N ARG A 38 -4.731 -21.894 -3.299 1.00 0.00 N ATOM 595 CA ARG A 38 -4.110 -22.766 -4.332 1.00 0.00 C ATOM 596 C ARG A 38 -2.931 -22.034 -4.975 1.00 0.00 C ATOM 597 O ARG A 38 -2.037 -22.642 -5.528 1.00 0.00 O ATOM 598 CB ARG A 38 -5.153 -23.087 -5.400 1.00 0.00 C ATOM 599 CG ARG A 38 -5.053 -24.563 -5.791 1.00 0.00 C ATOM 600 CD ARG A 38 -5.799 -25.416 -4.764 1.00 0.00 C ATOM 601 NE ARG A 38 -6.692 -26.376 -5.471 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.981 -26.338 -5.269 1.00 0.00 C ATOM 603 NH1 ARG A 38 -8.567 -25.202 -5.006 1.00 0.00 N ATOM 604 NH2 ARG A 38 -8.684 -27.436 -5.328 1.00 0.00 N ATOM 0 H ARG A 38 -5.621 -21.474 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.754 -23.688 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.152 -22.867 -5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.996 -22.457 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.477 -24.717 -6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.007 -24.867 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.088 -25.957 -4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.384 -24.778 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.296 -27.063 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.018 -24.344 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.574 -25.172 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.226 -28.324 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.691 -27.406 -5.170 1.00 0.00 H new ATOM 618 N GLY A 39 -2.923 -20.732 -4.911 1.00 0.00 N ATOM 619 CA GLY A 39 -1.801 -19.964 -5.520 1.00 0.00 C ATOM 620 C GLY A 39 -0.600 -19.987 -4.574 1.00 0.00 C ATOM 621 O GLY A 39 0.530 -19.812 -4.985 1.00 0.00 O ATOM 0 H GLY A 39 -3.644 -20.166 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.529 -20.397 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.110 -18.936 -5.709 1.00 0.00 H new ATOM 625 N GLY A 40 -0.833 -20.201 -3.309 1.00 0.00 N ATOM 626 CA GLY A 40 0.298 -20.231 -2.339 1.00 0.00 C ATOM 627 C GLY A 40 1.061 -21.549 -2.482 1.00 0.00 C ATOM 628 O GLY A 40 2.223 -21.643 -2.140 1.00 0.00 O ATOM 0 H GLY A 40 -1.757 -20.356 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.968 -19.390 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.079 -20.126 -1.322 1.00 0.00 H new ATOM 632 N GLU A 41 0.419 -22.570 -2.980 1.00 0.00 N ATOM 633 CA GLU A 41 1.113 -23.878 -3.136 1.00 0.00 C ATOM 634 C GLU A 41 2.242 -23.744 -4.163 1.00 0.00 C ATOM 635 O GLU A 41 3.291 -24.337 -4.024 1.00 0.00 O ATOM 636 CB GLU A 41 0.107 -24.941 -3.587 1.00 0.00 C ATOM 637 CG GLU A 41 -0.047 -24.926 -5.112 1.00 0.00 C ATOM 638 CD GLU A 41 -1.009 -26.034 -5.540 1.00 0.00 C ATOM 639 OE1 GLU A 41 -1.956 -26.284 -4.812 1.00 0.00 O ATOM 640 OE2 GLU A 41 -0.783 -26.615 -6.589 1.00 0.00 O ATOM 0 H GLU A 41 -0.554 -22.555 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 41 1.542 -24.180 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.439 -25.926 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.859 -24.758 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.423 -23.957 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.923 -25.069 -5.587 1.00 0.00 H new ATOM 647 N LEU A 42 2.030 -22.973 -5.195 1.00 0.00 N ATOM 648 CA LEU A 42 3.079 -22.804 -6.235 1.00 0.00 C ATOM 649 C LEU A 42 3.998 -21.638 -5.861 1.00 0.00 C ATOM 650 O LEU A 42 5.181 -21.653 -6.137 1.00 0.00 O ATOM 651 CB LEU A 42 2.407 -22.506 -7.577 1.00 0.00 C ATOM 652 CG LEU A 42 1.939 -23.813 -8.220 1.00 0.00 C ATOM 653 CD1 LEU A 42 1.296 -23.511 -9.574 1.00 0.00 C ATOM 654 CD2 LEU A 42 3.139 -24.740 -8.421 1.00 0.00 C ATOM 0 H LEU A 42 1.170 -22.451 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 42 3.669 -23.718 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.559 -21.838 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.105 -21.993 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 42 1.210 -24.298 -7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.962 -24.441 -10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.442 -22.849 -9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.025 -23.027 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.806 -25.672 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.868 -24.256 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.599 -24.954 -7.456 1.00 0.00 H new ATOM 666 N TRP A 43 3.459 -20.624 -5.243 1.00 0.00 N ATOM 667 CA TRP A 43 4.294 -19.451 -4.858 1.00 0.00 C ATOM 668 C TRP A 43 5.481 -19.911 -4.008 1.00 0.00 C ATOM 669 O TRP A 43 6.625 -19.656 -4.333 1.00 0.00 O ATOM 670 CB TRP A 43 3.438 -18.466 -4.052 1.00 0.00 C ATOM 671 CG TRP A 43 4.321 -17.469 -3.367 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.645 -17.496 -2.055 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.995 -16.307 -3.931 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.475 -16.424 -1.776 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.719 -15.662 -2.901 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.047 -15.755 -5.223 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.469 -14.510 -3.144 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.801 -14.596 -5.472 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.509 -13.975 -4.434 1.00 0.00 C ATOM 0 H TRP A 43 2.474 -20.557 -4.987 1.00 0.00 H new ATOM 0 HA TRP A 43 4.669 -18.964 -5.758 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.739 -17.953 -4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.843 -19.006 -3.315 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.311 -18.234 -1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.859 -16.222 -0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.504 -16.225 -6.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.014 -14.036 -2.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.835 -14.181 -6.469 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.085 -13.083 -4.631 1.00 0.00 H new ATOM 690 N ARG A 44 5.221 -20.570 -2.914 1.00 0.00 N ATOM 691 CA ARG A 44 6.335 -21.024 -2.038 1.00 0.00 C ATOM 692 C ARG A 44 6.919 -22.343 -2.556 1.00 0.00 C ATOM 693 O ARG A 44 7.820 -22.902 -1.962 1.00 0.00 O ATOM 694 CB ARG A 44 5.808 -21.229 -0.616 1.00 0.00 C ATOM 695 CG ARG A 44 6.048 -19.962 0.205 1.00 0.00 C ATOM 696 CD ARG A 44 7.450 -20.011 0.816 1.00 0.00 C ATOM 697 NE ARG A 44 7.608 -21.273 1.592 1.00 0.00 N ATOM 698 CZ ARG A 44 7.409 -21.276 2.882 1.00 0.00 C ATOM 699 NH1 ARG A 44 6.251 -20.918 3.364 1.00 0.00 N ATOM 700 NH2 ARG A 44 8.369 -21.635 3.691 1.00 0.00 N ATOM 0 H ARG A 44 4.285 -20.814 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 44 7.118 -20.266 -2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.744 -21.462 -0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.309 -22.077 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.946 -19.080 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.299 -19.878 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.203 -19.958 0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.606 -19.150 1.466 1.00 0.00 H new ATOM 0 HE ARG A 44 7.872 -22.135 1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.501 -20.636 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.095 -20.920 4.372 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.275 -21.913 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.213 -21.637 4.699 1.00 0.00 H new ATOM 714 N ALA A 45 6.414 -22.856 -3.645 1.00 0.00 N ATOM 715 CA ALA A 45 6.946 -24.144 -4.167 1.00 0.00 C ATOM 716 C ALA A 45 7.500 -23.956 -5.582 1.00 0.00 C ATOM 717 O ALA A 45 7.895 -24.907 -6.228 1.00 0.00 O ATOM 718 CB ALA A 45 5.812 -25.159 -4.206 1.00 0.00 C ATOM 0 H ALA A 45 5.660 -22.441 -4.192 1.00 0.00 H new ATOM 0 HA ALA A 45 7.749 -24.493 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.187 -26.109 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.417 -25.302 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.019 -24.794 -4.859 1.00 0.00 H new ATOM 724 N MET A 46 7.530 -22.750 -6.078 1.00 0.00 N ATOM 725 CA MET A 46 8.050 -22.531 -7.442 1.00 0.00 C ATOM 726 C MET A 46 9.582 -22.478 -7.397 1.00 0.00 C ATOM 727 O MET A 46 10.232 -23.457 -7.091 1.00 0.00 O ATOM 728 CB MET A 46 7.469 -21.223 -7.975 1.00 0.00 C ATOM 729 CG MET A 46 7.625 -20.138 -6.915 1.00 0.00 C ATOM 730 SD MET A 46 8.152 -18.591 -7.696 1.00 0.00 S ATOM 731 CE MET A 46 6.912 -17.512 -6.937 1.00 0.00 C ATOM 0 H MET A 46 7.215 -21.911 -5.592 1.00 0.00 H new ATOM 0 HA MET A 46 7.758 -23.345 -8.105 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.982 -20.930 -8.891 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.417 -21.354 -8.227 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.680 -19.989 -6.392 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.357 -20.448 -6.169 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.022 -16.500 -7.328 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.914 -17.884 -7.169 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.052 -17.501 -5.856 1.00 0.00 H new ATOM 741 N LYS A 47 10.165 -21.354 -7.700 1.00 0.00 N ATOM 742 CA LYS A 47 11.641 -21.247 -7.678 1.00 0.00 C ATOM 743 C LYS A 47 12.064 -20.302 -6.554 1.00 0.00 C ATOM 744 O LYS A 47 12.378 -20.721 -5.457 1.00 0.00 O ATOM 745 CB LYS A 47 12.088 -20.679 -9.016 1.00 0.00 C ATOM 746 CG LYS A 47 12.625 -21.807 -9.899 1.00 0.00 C ATOM 747 CD LYS A 47 14.120 -21.995 -9.635 1.00 0.00 C ATOM 748 CE LYS A 47 14.465 -23.486 -9.681 1.00 0.00 C ATOM 749 NZ LYS A 47 15.279 -23.844 -8.485 1.00 0.00 N ATOM 0 H LYS A 47 9.674 -20.500 -7.964 1.00 0.00 H new ATOM 0 HA LYS A 47 12.094 -22.224 -7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.252 -20.184 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.860 -19.925 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.089 -22.733 -9.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.457 -21.571 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 47 14.702 -21.453 -10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.383 -21.580 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.552 -24.081 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.018 -23.714 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.514 -24.857 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.156 -23.285 -8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.736 -23.640 -7.622 1.00 0.00 H new ATOM 763 N ASP A 48 12.070 -19.025 -6.821 1.00 0.00 N ATOM 764 CA ASP A 48 12.466 -18.040 -5.778 1.00 0.00 C ATOM 765 C ASP A 48 11.418 -16.928 -5.719 1.00 0.00 C ATOM 766 O ASP A 48 10.502 -16.886 -6.517 1.00 0.00 O ATOM 767 CB ASP A 48 13.827 -17.440 -6.134 1.00 0.00 C ATOM 768 CG ASP A 48 14.734 -18.536 -6.696 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.731 -19.623 -6.141 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.417 -18.270 -7.671 1.00 0.00 O ATOM 0 H ASP A 48 11.816 -18.620 -7.722 1.00 0.00 H new ATOM 0 HA ASP A 48 12.533 -18.535 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.705 -16.643 -6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.282 -16.993 -5.250 1.00 0.00 H new ATOM 775 N LYS A 49 11.540 -16.027 -4.786 1.00 0.00 N ATOM 776 CA LYS A 49 10.545 -14.924 -4.692 1.00 0.00 C ATOM 777 C LYS A 49 11.259 -13.579 -4.887 1.00 0.00 C ATOM 778 O LYS A 49 10.633 -12.556 -5.080 1.00 0.00 O ATOM 779 CB LYS A 49 9.839 -14.990 -3.321 1.00 0.00 C ATOM 780 CG LYS A 49 10.394 -13.933 -2.358 1.00 0.00 C ATOM 781 CD LYS A 49 9.992 -14.286 -0.924 1.00 0.00 C ATOM 782 CE LYS A 49 10.972 -13.642 0.058 1.00 0.00 C ATOM 783 NZ LYS A 49 11.995 -14.646 0.470 1.00 0.00 N ATOM 0 H LYS A 49 12.282 -16.006 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 49 9.790 -15.027 -5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.768 -14.838 -3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.969 -15.982 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.480 -13.885 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.010 -12.948 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.979 -13.937 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.988 -15.368 -0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.456 -12.783 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.437 -13.272 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.662 -14.208 1.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.525 -15.453 0.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.513 -14.978 -0.369 1.00 0.00 H new ATOM 797 N SER A 50 12.564 -13.578 -4.842 1.00 0.00 N ATOM 798 CA SER A 50 13.314 -12.304 -5.029 1.00 0.00 C ATOM 799 C SER A 50 12.976 -11.720 -6.403 1.00 0.00 C ATOM 800 O SER A 50 13.217 -10.559 -6.672 1.00 0.00 O ATOM 801 CB SER A 50 14.815 -12.578 -4.944 1.00 0.00 C ATOM 802 OG SER A 50 15.188 -12.732 -3.580 1.00 0.00 O ATOM 0 H SER A 50 13.142 -14.403 -4.684 1.00 0.00 H new ATOM 0 HA SER A 50 13.034 -11.595 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.064 -13.479 -5.505 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.372 -11.757 -5.395 1.00 0.00 H new ATOM 0 HG SER A 50 16.150 -12.910 -3.522 1.00 0.00 H new ATOM 808 N GLU A 51 12.408 -12.515 -7.268 1.00 0.00 N ATOM 809 CA GLU A 51 12.042 -12.017 -8.617 1.00 0.00 C ATOM 810 C GLU A 51 10.963 -10.948 -8.484 1.00 0.00 C ATOM 811 O GLU A 51 11.188 -9.779 -8.733 1.00 0.00 O ATOM 812 CB GLU A 51 11.510 -13.167 -9.438 1.00 0.00 C ATOM 813 CG GLU A 51 12.367 -14.411 -9.196 1.00 0.00 C ATOM 814 CD GLU A 51 12.940 -14.903 -10.527 1.00 0.00 C ATOM 815 OE1 GLU A 51 13.465 -14.082 -11.262 1.00 0.00 O ATOM 816 OE2 GLU A 51 12.844 -16.090 -10.789 1.00 0.00 O ATOM 0 H GLU A 51 12.182 -13.494 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 51 12.918 -11.590 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.473 -13.370 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.520 -12.907 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.176 -14.179 -8.503 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.767 -15.195 -8.734 1.00 0.00 H new ATOM 823 N TRP A 52 9.792 -11.343 -8.081 1.00 0.00 N ATOM 824 CA TRP A 52 8.696 -10.359 -7.917 1.00 0.00 C ATOM 825 C TRP A 52 9.127 -9.305 -6.916 1.00 0.00 C ATOM 826 O TRP A 52 8.920 -8.134 -7.118 1.00 0.00 O ATOM 827 CB TRP A 52 7.465 -11.065 -7.383 1.00 0.00 C ATOM 828 CG TRP A 52 7.221 -12.281 -8.172 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.630 -13.492 -7.818 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.519 -12.420 -9.426 1.00 0.00 C ATOM 831 NE1 TRP A 52 7.219 -14.401 -8.776 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.524 -13.779 -9.795 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.883 -11.502 -10.265 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.909 -14.217 -10.969 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.264 -11.927 -11.439 1.00 0.00 C ATOM 836 CH2 TRP A 52 5.271 -13.284 -11.796 1.00 0.00 C ATOM 0 H TRP A 52 9.547 -12.308 -7.858 1.00 0.00 H new ATOM 0 HA TRP A 52 8.470 -9.896 -8.878 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.606 -11.321 -6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.600 -10.403 -7.437 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.192 -13.730 -6.927 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.405 -15.403 -8.735 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.871 -10.455 -10.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.925 -15.263 -11.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.775 -11.207 -12.079 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.786 -13.608 -12.705 1.00 0.00 H new ATOM 847 N GLU A 53 9.713 -9.719 -5.829 1.00 0.00 N ATOM 848 CA GLU A 53 10.151 -8.734 -4.795 1.00 0.00 C ATOM 849 C GLU A 53 10.721 -7.484 -5.469 1.00 0.00 C ATOM 850 O GLU A 53 10.216 -6.392 -5.294 1.00 0.00 O ATOM 851 CB GLU A 53 11.221 -9.366 -3.901 1.00 0.00 C ATOM 852 CG GLU A 53 10.549 -10.279 -2.875 1.00 0.00 C ATOM 853 CD GLU A 53 11.002 -9.889 -1.467 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.187 -9.994 -1.197 1.00 0.00 O ATOM 855 OE2 GLU A 53 10.155 -9.493 -0.683 1.00 0.00 O ATOM 0 H GLU A 53 9.909 -10.696 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 53 9.291 -8.452 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.926 -9.937 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.793 -8.589 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.465 -10.197 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.806 -11.319 -3.076 1.00 0.00 H new ATOM 862 N ALA A 54 11.757 -7.627 -6.243 1.00 0.00 N ATOM 863 CA ALA A 54 12.337 -6.436 -6.925 1.00 0.00 C ATOM 864 C ALA A 54 11.268 -5.792 -7.806 1.00 0.00 C ATOM 865 O ALA A 54 11.192 -4.587 -7.931 1.00 0.00 O ATOM 866 CB ALA A 54 13.518 -6.874 -7.793 1.00 0.00 C ATOM 0 H ALA A 54 12.227 -8.512 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 54 12.680 -5.717 -6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.944 -6.004 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.278 -7.340 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.175 -7.590 -8.540 1.00 0.00 H new ATOM 872 N LYS A 55 10.442 -6.590 -8.422 1.00 0.00 N ATOM 873 CA LYS A 55 9.376 -6.031 -9.305 1.00 0.00 C ATOM 874 C LYS A 55 8.475 -5.081 -8.512 1.00 0.00 C ATOM 875 O LYS A 55 8.034 -4.067 -9.016 1.00 0.00 O ATOM 876 CB LYS A 55 8.527 -7.172 -9.863 1.00 0.00 C ATOM 877 CG LYS A 55 9.343 -7.977 -10.875 1.00 0.00 C ATOM 878 CD LYS A 55 8.404 -8.874 -11.683 1.00 0.00 C ATOM 879 CE LYS A 55 8.718 -8.731 -13.174 1.00 0.00 C ATOM 880 NZ LYS A 55 8.171 -7.438 -13.676 1.00 0.00 N ATOM 0 H LYS A 55 10.458 -7.608 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 55 9.847 -5.482 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.194 -7.820 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.632 -6.772 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.884 -7.304 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.088 -8.582 -10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.521 -9.913 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.367 -8.599 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.795 -8.769 -13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.283 -9.562 -13.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.355 -7.356 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.146 -7.405 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.631 -6.650 -13.177 1.00 0.00 H new ATOM 894 N ALA A 56 8.189 -5.401 -7.281 1.00 0.00 N ATOM 895 CA ALA A 56 7.310 -4.516 -6.470 1.00 0.00 C ATOM 896 C ALA A 56 7.964 -3.141 -6.347 1.00 0.00 C ATOM 897 O ALA A 56 7.335 -2.122 -6.549 1.00 0.00 O ATOM 898 CB ALA A 56 7.117 -5.121 -5.078 1.00 0.00 C ATOM 0 H ALA A 56 8.526 -6.236 -6.802 1.00 0.00 H new ATOM 0 HA ALA A 56 6.339 -4.418 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.473 -4.472 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.656 -6.104 -5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.085 -5.219 -4.586 1.00 0.00 H new ATOM 904 N ALA A 57 9.228 -3.108 -6.028 1.00 0.00 N ATOM 905 CA ALA A 57 9.929 -1.802 -5.904 1.00 0.00 C ATOM 906 C ALA A 57 9.633 -0.965 -7.146 1.00 0.00 C ATOM 907 O ALA A 57 9.270 0.192 -7.062 1.00 0.00 O ATOM 908 CB ALA A 57 11.436 -2.043 -5.804 1.00 0.00 C ATOM 0 H ALA A 57 9.805 -3.930 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 57 9.585 -1.279 -5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.952 -1.087 -5.713 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.649 -2.655 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.782 -2.558 -6.700 1.00 0.00 H new ATOM 914 N LYS A 58 9.784 -1.550 -8.302 1.00 0.00 N ATOM 915 CA LYS A 58 9.512 -0.803 -9.561 1.00 0.00 C ATOM 916 C LYS A 58 8.153 -0.109 -9.461 1.00 0.00 C ATOM 917 O LYS A 58 8.064 1.097 -9.533 1.00 0.00 O ATOM 918 CB LYS A 58 9.499 -1.776 -10.742 1.00 0.00 C ATOM 919 CG LYS A 58 10.906 -1.885 -11.331 1.00 0.00 C ATOM 920 CD LYS A 58 11.168 -0.692 -12.251 1.00 0.00 C ATOM 921 CE LYS A 58 12.618 -0.233 -12.093 1.00 0.00 C ATOM 922 NZ LYS A 58 13.146 0.205 -13.415 1.00 0.00 N ATOM 0 H LYS A 58 10.085 -2.516 -8.429 1.00 0.00 H new ATOM 0 HA LYS A 58 10.292 -0.057 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.154 -2.757 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.800 -1.430 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.646 -1.910 -10.531 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.007 -2.816 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.974 -0.969 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.489 0.125 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.675 0.587 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.227 -1.046 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.132 0.517 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.105 -0.589 -14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.570 0.993 -13.775 1.00 0.00 H new ATOM 936 N ALA A 59 7.093 -0.854 -9.294 1.00 0.00 N ATOM 937 CA ALA A 59 5.753 -0.208 -9.192 1.00 0.00 C ATOM 938 C ALA A 59 5.820 0.912 -8.158 1.00 0.00 C ATOM 939 O ALA A 59 5.145 1.911 -8.269 1.00 0.00 O ATOM 940 CB ALA A 59 4.707 -1.240 -8.758 1.00 0.00 C ATOM 0 H ALA A 59 7.096 -1.872 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 59 5.470 0.198 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.731 -0.760 -8.686 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.663 -2.044 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.982 -1.651 -7.787 1.00 0.00 H new ATOM 946 N LYS A 60 6.640 0.755 -7.157 1.00 0.00 N ATOM 947 CA LYS A 60 6.763 1.804 -6.119 1.00 0.00 C ATOM 948 C LYS A 60 7.182 3.114 -6.773 1.00 0.00 C ATOM 949 O LYS A 60 6.512 4.117 -6.664 1.00 0.00 O ATOM 950 CB LYS A 60 7.840 1.374 -5.135 1.00 0.00 C ATOM 951 CG LYS A 60 7.356 1.595 -3.699 1.00 0.00 C ATOM 952 CD LYS A 60 6.862 3.036 -3.539 1.00 0.00 C ATOM 953 CE LYS A 60 5.466 3.030 -2.915 1.00 0.00 C ATOM 954 NZ LYS A 60 5.060 4.425 -2.585 1.00 0.00 N ATOM 0 H LYS A 60 7.233 -0.063 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 60 5.810 1.943 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.085 0.323 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.753 1.942 -5.311 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.553 0.896 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.166 1.398 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.551 3.600 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.836 3.533 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.750 2.586 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.462 2.417 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.110 4.419 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.738 4.834 -1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.048 4.998 -3.453 1.00 0.00 H new ATOM 968 N ASP A 61 8.296 3.108 -7.442 1.00 0.00 N ATOM 969 CA ASP A 61 8.776 4.357 -8.103 1.00 0.00 C ATOM 970 C ASP A 61 7.721 4.853 -9.099 1.00 0.00 C ATOM 971 O ASP A 61 7.364 6.013 -9.114 1.00 0.00 O ATOM 972 CB ASP A 61 10.084 4.069 -8.843 1.00 0.00 C ATOM 973 CG ASP A 61 11.253 4.138 -7.859 1.00 0.00 C ATOM 974 OD1 ASP A 61 11.016 3.957 -6.675 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.364 4.371 -8.305 1.00 0.00 O ATOM 0 H ASP A 61 8.899 2.294 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 61 8.945 5.125 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.043 3.083 -9.306 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.227 4.793 -9.645 1.00 0.00 H new ATOM 980 N ASP A 62 7.224 3.979 -9.929 1.00 0.00 N ATOM 981 CA ASP A 62 6.195 4.384 -10.929 1.00 0.00 C ATOM 982 C ASP A 62 4.871 4.675 -10.218 1.00 0.00 C ATOM 983 O ASP A 62 3.933 5.168 -10.808 1.00 0.00 O ATOM 984 CB ASP A 62 5.986 3.233 -11.914 1.00 0.00 C ATOM 985 CG ASP A 62 5.428 3.775 -13.230 1.00 0.00 C ATOM 986 OD1 ASP A 62 5.629 4.948 -13.499 1.00 0.00 O ATOM 987 OD2 ASP A 62 4.808 3.008 -13.949 1.00 0.00 O ATOM 0 H ASP A 62 7.488 2.994 -9.958 1.00 0.00 H new ATOM 0 HA ASP A 62 6.529 5.278 -11.455 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.930 2.719 -12.093 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.299 2.500 -11.491 1.00 0.00 H new ATOM 992 N TYR A 63 4.786 4.354 -8.961 1.00 0.00 N ATOM 993 CA TYR A 63 3.524 4.586 -8.206 1.00 0.00 C ATOM 994 C TYR A 63 3.555 5.947 -7.509 1.00 0.00 C ATOM 995 O TYR A 63 2.546 6.610 -7.387 1.00 0.00 O ATOM 996 CB TYR A 63 3.366 3.473 -7.177 1.00 0.00 C ATOM 997 CG TYR A 63 2.137 3.708 -6.368 1.00 0.00 C ATOM 998 CD1 TYR A 63 2.065 4.768 -5.462 1.00 0.00 C ATOM 999 CD2 TYR A 63 1.076 2.840 -6.514 1.00 0.00 C ATOM 1000 CE1 TYR A 63 0.905 4.951 -4.704 1.00 0.00 C ATOM 1001 CE2 TYR A 63 -0.074 3.009 -5.763 1.00 0.00 C ATOM 1002 CZ TYR A 63 -0.171 4.068 -4.854 1.00 0.00 C ATOM 1003 OH TYR A 63 -1.318 4.237 -4.105 1.00 0.00 O ATOM 0 H TYR A 63 5.542 3.937 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 63 2.680 4.582 -8.895 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.304 2.507 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.240 3.439 -6.527 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.901 5.443 -5.348 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.143 2.024 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.839 5.771 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.899 2.322 -5.879 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.965 3.538 -4.335 1.00 0.00 H new ATOM 1013 N ASP A 64 4.693 6.374 -7.050 1.00 0.00 N ATOM 1014 CA ASP A 64 4.766 7.689 -6.366 1.00 0.00 C ATOM 1015 C ASP A 64 4.747 8.787 -7.414 1.00 0.00 C ATOM 1016 O ASP A 64 4.186 9.847 -7.224 1.00 0.00 O ATOM 1017 CB ASP A 64 6.055 7.766 -5.578 1.00 0.00 C ATOM 1018 CG ASP A 64 5.920 8.805 -4.462 1.00 0.00 C ATOM 1019 OD1 ASP A 64 4.852 8.884 -3.879 1.00 0.00 O ATOM 1020 OD2 ASP A 64 6.889 9.502 -4.209 1.00 0.00 O ATOM 0 H ASP A 64 5.577 5.869 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 64 3.919 7.809 -5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.290 6.791 -5.152 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.880 8.033 -6.238 1.00 0.00 H new ATOM 1025 N ARG A 65 5.375 8.532 -8.522 1.00 0.00 N ATOM 1026 CA ARG A 65 5.426 9.543 -9.607 1.00 0.00 C ATOM 1027 C ARG A 65 4.163 9.464 -10.467 1.00 0.00 C ATOM 1028 O ARG A 65 3.660 10.463 -10.938 1.00 0.00 O ATOM 1029 CB ARG A 65 6.649 9.279 -10.484 1.00 0.00 C ATOM 1030 CG ARG A 65 7.896 9.174 -9.604 1.00 0.00 C ATOM 1031 CD ARG A 65 9.135 9.030 -10.489 1.00 0.00 C ATOM 1032 NE ARG A 65 10.126 8.146 -9.816 1.00 0.00 N ATOM 1033 CZ ARG A 65 11.377 8.511 -9.733 1.00 0.00 C ATOM 1034 NH1 ARG A 65 12.185 8.291 -10.733 1.00 0.00 N ATOM 1035 NH2 ARG A 65 11.816 9.095 -8.652 1.00 0.00 N ATOM 0 H ARG A 65 5.860 7.658 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 65 5.491 10.536 -9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.512 8.357 -11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.770 10.083 -11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.986 10.060 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.812 8.317 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.857 8.612 -11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.575 10.009 -10.679 1.00 0.00 H new ATOM 0 HE ARG A 65 9.828 7.255 -9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.839 7.835 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.163 8.575 -10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.182 9.266 -7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.793 9.380 -8.587 1.00 0.00 H new ATOM 1049 N ALA A 66 3.658 8.284 -10.696 1.00 0.00 N ATOM 1050 CA ALA A 66 2.442 8.151 -11.549 1.00 0.00 C ATOM 1051 C ALA A 66 1.194 8.564 -10.774 1.00 0.00 C ATOM 1052 O ALA A 66 0.226 8.989 -11.359 1.00 0.00 O ATOM 1053 CB ALA A 66 2.294 6.705 -12.019 1.00 0.00 C ATOM 0 H ALA A 66 4.032 7.408 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 66 2.553 8.807 -12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.404 6.614 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.172 6.419 -12.597 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.200 6.049 -11.154 1.00 0.00 H new ATOM 1059 N VAL A 67 1.192 8.456 -9.473 1.00 0.00 N ATOM 1060 CA VAL A 67 -0.021 8.875 -8.720 1.00 0.00 C ATOM 1061 C VAL A 67 -0.138 10.391 -8.804 1.00 0.00 C ATOM 1062 O VAL A 67 -1.213 10.939 -8.808 1.00 0.00 O ATOM 1063 CB VAL A 67 0.085 8.490 -7.267 1.00 0.00 C ATOM 1064 CG1 VAL A 67 0.032 6.973 -7.116 1.00 0.00 C ATOM 1065 CG2 VAL A 67 1.380 9.034 -6.734 1.00 0.00 C ATOM 0 H VAL A 67 1.964 8.102 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.891 8.382 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.750 8.906 -6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.110 6.709 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.912 6.600 -7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.860 6.524 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.481 8.768 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.212 8.610 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.388 10.119 -6.837 1.00 0.00 H new ATOM 1075 N LYS A 68 0.981 11.062 -8.864 1.00 0.00 N ATOM 1076 CA LYS A 68 0.983 12.554 -8.955 1.00 0.00 C ATOM 1077 C LYS A 68 0.352 12.970 -10.288 1.00 0.00 C ATOM 1078 O LYS A 68 -0.630 13.684 -10.327 1.00 0.00 O ATOM 1079 CB LYS A 68 2.427 13.061 -8.892 1.00 0.00 C ATOM 1080 CG LYS A 68 2.541 14.162 -7.837 1.00 0.00 C ATOM 1081 CD LYS A 68 3.319 15.343 -8.419 1.00 0.00 C ATOM 1082 CE LYS A 68 3.242 16.532 -7.460 1.00 0.00 C ATOM 1083 NZ LYS A 68 4.432 17.407 -7.662 1.00 0.00 N ATOM 0 H LYS A 68 1.907 10.635 -8.854 1.00 0.00 H new ATOM 0 HA LYS A 68 0.413 12.980 -8.129 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.101 12.239 -8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.731 13.444 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.548 14.485 -7.524 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.047 13.780 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.359 15.061 -8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.908 15.619 -9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.327 17.097 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.206 16.180 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.382 18.217 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.298 16.864 -7.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.447 17.752 -8.643 1.00 0.00 H new ATOM 1097 N GLU A 69 0.896 12.502 -11.379 1.00 0.00 N ATOM 1098 CA GLU A 69 0.315 12.829 -12.711 1.00 0.00 C ATOM 1099 C GLU A 69 -1.112 12.288 -12.726 1.00 0.00 C ATOM 1100 O GLU A 69 -2.019 12.832 -13.325 1.00 0.00 O ATOM 1101 CB GLU A 69 1.144 12.111 -13.774 1.00 0.00 C ATOM 1102 CG GLU A 69 2.257 13.040 -14.268 1.00 0.00 C ATOM 1103 CD GLU A 69 2.734 12.579 -15.647 1.00 0.00 C ATOM 1104 OE1 GLU A 69 1.921 12.558 -16.556 1.00 0.00 O ATOM 1105 OE2 GLU A 69 3.904 12.258 -15.769 1.00 0.00 O ATOM 0 H GLU A 69 1.722 11.904 -11.404 1.00 0.00 H new ATOM 0 HA GLU A 69 0.317 13.902 -12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.574 11.199 -13.360 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.507 11.814 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.892 14.066 -14.322 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.089 13.035 -13.564 1.00 0.00 H new ATOM 1112 N PHE A 70 -1.277 11.211 -12.030 1.00 0.00 N ATOM 1113 CA PHE A 70 -2.587 10.526 -11.887 1.00 0.00 C ATOM 1114 C PHE A 70 -3.527 11.371 -11.033 1.00 0.00 C ATOM 1115 O PHE A 70 -4.734 11.312 -11.158 1.00 0.00 O ATOM 1116 CB PHE A 70 -2.301 9.245 -11.155 1.00 0.00 C ATOM 1117 CG PHE A 70 -3.544 8.740 -10.533 1.00 0.00 C ATOM 1118 CD1 PHE A 70 -4.445 8.042 -11.307 1.00 0.00 C ATOM 1119 CD2 PHE A 70 -3.784 8.993 -9.192 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -5.626 7.572 -10.741 1.00 0.00 C ATOM 1121 CE2 PHE A 70 -4.965 8.526 -8.605 1.00 0.00 C ATOM 1122 CZ PHE A 70 -5.892 7.812 -9.383 1.00 0.00 C ATOM 0 H PHE A 70 -0.518 10.751 -11.527 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.053 10.360 -12.858 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.900 8.502 -11.845 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.542 9.413 -10.391 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.235 7.860 -12.351 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.066 9.546 -8.605 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.336 7.025 -11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.163 8.713 -7.560 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.807 7.449 -8.938 1.00 0.00 H new ATOM 1132 N GLU A 71 -2.970 12.138 -10.152 1.00 0.00 N ATOM 1133 CA GLU A 71 -3.806 12.978 -9.263 1.00 0.00 C ATOM 1134 C GLU A 71 -4.093 14.279 -9.998 1.00 0.00 C ATOM 1135 O GLU A 71 -5.015 15.010 -9.694 1.00 0.00 O ATOM 1136 CB GLU A 71 -3.043 13.280 -7.969 1.00 0.00 C ATOM 1137 CG GLU A 71 -2.863 11.992 -7.163 1.00 0.00 C ATOM 1138 CD GLU A 71 -3.768 12.027 -5.930 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -4.909 12.435 -6.067 1.00 0.00 O ATOM 1140 OE2 GLU A 71 -3.304 11.642 -4.869 1.00 0.00 O ATOM 0 H GLU A 71 -1.964 12.221 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.733 12.463 -9.010 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.070 13.713 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.587 14.017 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.106 11.128 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.822 11.884 -6.859 1.00 0.00 H new ATOM 1147 N ALA A 72 -3.273 14.559 -10.966 1.00 0.00 N ATOM 1148 CA ALA A 72 -3.401 15.790 -11.770 1.00 0.00 C ATOM 1149 C ALA A 72 -4.600 15.688 -12.715 1.00 0.00 C ATOM 1150 O ALA A 72 -5.466 16.540 -12.731 1.00 0.00 O ATOM 1151 CB ALA A 72 -2.117 15.916 -12.575 1.00 0.00 C ATOM 0 H ALA A 72 -2.493 13.961 -11.239 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.558 16.659 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.160 16.815 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.267 15.981 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.003 15.042 -13.217 1.00 0.00 H new ATOM 1157 N ASN A 73 -4.653 14.654 -13.505 1.00 0.00 N ATOM 1158 CA ASN A 73 -5.789 14.496 -14.458 1.00 0.00 C ATOM 1159 C ASN A 73 -7.008 13.947 -13.716 1.00 0.00 C ATOM 1160 O ASN A 73 -6.903 13.043 -12.911 1.00 0.00 O ATOM 1161 CB ASN A 73 -5.388 13.526 -15.571 1.00 0.00 C ATOM 1162 CG ASN A 73 -4.812 14.305 -16.745 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -5.362 15.307 -17.160 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -3.716 13.882 -17.303 1.00 0.00 N ATOM 0 H ASN A 73 -3.957 13.908 -13.533 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.037 15.465 -14.891 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.652 12.813 -15.198 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.255 12.949 -15.894 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.315 14.391 -18.091 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.257 13.041 -16.953 1.00 0.00 H new ATOM 1171 N GLY A 74 -8.167 14.486 -13.984 1.00 0.00 N ATOM 1172 CA GLY A 74 -9.392 13.996 -13.294 1.00 0.00 C ATOM 1173 C GLY A 74 -9.162 13.991 -11.782 1.00 0.00 C ATOM 1174 O GLY A 74 -8.754 12.962 -11.269 1.00 0.00 O ATOM 1175 OXT GLY A 74 -9.394 15.017 -11.164 1.00 0.00 O ATOM 0 H GLY A 74 -8.317 15.244 -14.650 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.240 14.634 -13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.638 12.991 -13.638 1.00 0.00 H new TER 1179 GLY A 74