USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot -73:sc= 0.684 USER MOD Set 1.2: A 55 MET CE :methyl -159:sc= -0.133 (180deg=-0.475) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.145) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.75! C(o=-1.7!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 44 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 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.75) USER MOD Single : A 52 TYR OH : rot -19:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.743 -0.470 -0.198 1.00 0.00 N ATOM 34 CA ALA A 3 4.551 -1.270 -0.357 1.00 0.00 C ATOM 35 C ALA A 3 4.555 -1.821 -1.784 1.00 0.00 C ATOM 36 O ALA A 3 5.151 -1.256 -2.694 1.00 0.00 O ATOM 37 CB ALA A 3 3.389 -0.312 -0.121 1.00 0.00 C ATOM 0 HA ALA A 3 4.484 -2.114 0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.447 -0.850 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.459 0.105 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.429 0.495 -0.852 1.00 0.00 H new ATOM 43 N ILE A 4 3.823 -2.948 -1.904 1.00 0.00 N ATOM 44 CA ILE A 4 3.800 -3.666 -3.163 1.00 0.00 C ATOM 45 C ILE A 4 2.406 -4.245 -3.398 1.00 0.00 C ATOM 46 O ILE A 4 1.939 -5.100 -2.655 1.00 0.00 O ATOM 47 CB ILE A 4 4.779 -4.859 -2.970 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.239 -4.448 -2.670 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.732 -5.897 -4.105 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.924 -3.636 -3.774 1.00 0.00 C ATOM 0 H ILE A 4 3.260 -3.359 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 4 4.066 -3.018 -3.998 1.00 0.00 H new ATOM 0 HB ILE A 4 4.396 -5.342 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.254 -3.865 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.824 -5.349 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.443 -6.697 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.727 -6.314 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.993 -5.417 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.943 -3.396 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.948 -4.220 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.369 -2.713 -3.944 1.00 0.00 H new ATOM 62 N ALA A 5 1.778 -3.741 -4.479 1.00 0.00 N ATOM 63 CA ALA A 5 0.468 -4.259 -4.840 1.00 0.00 C ATOM 64 C ALA A 5 0.643 -5.728 -5.324 1.00 0.00 C ATOM 65 O ALA A 5 1.387 -6.003 -6.261 1.00 0.00 O ATOM 66 CB ALA A 5 -0.038 -3.394 -5.992 1.00 0.00 C ATOM 0 H ALA A 5 2.146 -3.009 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.230 -4.237 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.023 -3.742 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.106 -2.356 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.654 -3.465 -6.831 1.00 0.00 H new ATOM 72 N LYS A 6 -0.122 -6.627 -4.692 1.00 0.00 N ATOM 73 CA LYS A 6 -0.103 -8.064 -4.977 1.00 0.00 C ATOM 74 C LYS A 6 -1.222 -8.502 -5.927 1.00 0.00 C ATOM 75 O LYS A 6 -1.106 -9.517 -6.607 1.00 0.00 O ATOM 76 CB LYS A 6 -0.275 -8.817 -3.656 1.00 0.00 C ATOM 77 CG LYS A 6 0.878 -8.571 -2.690 1.00 0.00 C ATOM 78 CD LYS A 6 1.740 -9.819 -2.497 1.00 0.00 C ATOM 79 CE LYS A 6 1.298 -10.668 -1.305 1.00 0.00 C ATOM 80 NZ LYS A 6 2.257 -11.738 -1.052 1.00 0.00 N ATOM 0 H LYS A 6 -0.781 -6.371 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 6 0.847 -8.289 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.210 -8.511 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.354 -9.885 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.498 -7.757 -3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.482 -8.252 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.701 -10.425 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.779 -9.519 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.204 -10.040 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.314 -11.093 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.109 -12.118 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.123 -12.497 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.224 -11.363 -1.130 1.00 0.00 H new ATOM 94 N TYR A 7 -2.311 -7.703 -5.906 1.00 0.00 N ATOM 95 CA TYR A 7 -3.477 -8.004 -6.752 1.00 0.00 C ATOM 96 C TYR A 7 -4.037 -6.675 -7.270 1.00 0.00 C ATOM 97 O TYR A 7 -3.665 -5.600 -6.820 1.00 0.00 O ATOM 98 CB TYR A 7 -4.592 -8.733 -5.960 1.00 0.00 C ATOM 99 CG TYR A 7 -4.186 -10.089 -5.437 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.326 -10.208 -4.356 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.645 -11.253 -6.036 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.876 -11.446 -3.915 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.250 -12.503 -5.585 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.338 -12.615 -4.530 1.00 0.00 C ATOM 105 OH TYR A 7 -2.911 -13.860 -4.086 1.00 0.00 O ATOM 0 H TYR A 7 -2.404 -6.868 -5.328 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.159 -8.657 -7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.896 -8.107 -5.121 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.464 -8.849 -6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.998 -9.316 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.325 -11.184 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.171 -11.506 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.648 -13.393 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.332 -14.562 -4.625 1.00 0.00 H new ATOM 115 N ASP A 8 -4.949 -6.820 -8.252 1.00 0.00 N ATOM 116 CA ASP A 8 -5.587 -5.649 -8.857 1.00 0.00 C ATOM 117 C ASP A 8 -6.515 -4.997 -7.830 1.00 0.00 C ATOM 118 O ASP A 8 -7.039 -5.683 -6.973 1.00 0.00 O ATOM 119 CB ASP A 8 -6.354 -6.096 -10.103 1.00 0.00 C ATOM 120 CG ASP A 8 -5.360 -6.591 -11.166 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.634 -5.760 -11.711 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.316 -7.795 -11.425 1.00 0.00 O ATOM 0 H ASP A 8 -5.251 -7.717 -8.632 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.842 -4.911 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.054 -6.891 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.942 -5.268 -10.498 1.00 0.00 H new ATOM 127 N PHE A 9 -6.620 -3.653 -7.866 1.00 0.00 N ATOM 128 CA PHE A 9 -7.561 -3.030 -6.915 1.00 0.00 C ATOM 129 C PHE A 9 -8.202 -1.772 -7.514 1.00 0.00 C ATOM 130 O PHE A 9 -7.548 -0.876 -8.020 1.00 0.00 O ATOM 131 CB PHE A 9 -6.882 -2.745 -5.567 1.00 0.00 C ATOM 132 CG PHE A 9 -7.879 -2.529 -4.457 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.599 -3.632 -4.020 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.161 -1.275 -3.898 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.603 -3.505 -3.079 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.191 -1.140 -2.960 1.00 0.00 C ATOM 137 CZ PHE A 9 -9.921 -2.261 -2.559 1.00 0.00 C ATOM 0 H PHE A 9 -6.112 -3.023 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.366 -3.740 -6.724 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.229 -3.579 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.250 -1.862 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.370 -4.608 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.583 -0.411 -4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.142 -4.380 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.421 -0.169 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.728 -2.159 -1.848 1.00 0.00 H new ATOM 147 N LYS A 10 -9.546 -1.785 -7.415 1.00 0.00 N ATOM 148 CA LYS A 10 -10.389 -0.690 -7.894 1.00 0.00 C ATOM 149 C LYS A 10 -11.193 -0.146 -6.694 1.00 0.00 C ATOM 150 O LYS A 10 -12.095 -0.807 -6.194 1.00 0.00 O ATOM 151 CB LYS A 10 -11.299 -1.175 -9.018 1.00 0.00 C ATOM 152 CG LYS A 10 -10.555 -1.331 -10.351 1.00 0.00 C ATOM 153 CD LYS A 10 -10.297 -0.004 -11.087 1.00 0.00 C ATOM 154 CE LYS A 10 -10.068 -0.161 -12.597 1.00 0.00 C ATOM 155 NZ LYS A 10 -11.312 -0.315 -13.344 1.00 0.00 N ATOM 0 H LYS A 10 -10.069 -2.556 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.780 0.114 -8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.739 -2.132 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.121 -0.471 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.600 -1.823 -10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.132 -1.989 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.146 0.660 -10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.426 0.480 -10.646 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.530 0.710 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.433 -1.028 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.098 -0.417 -14.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.815 -1.161 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.910 0.523 -13.199 1.00 0.00 H new ATOM 169 N ALA A 11 -10.853 1.119 -6.329 1.00 0.00 N ATOM 170 CA ALA A 11 -11.470 1.795 -5.166 1.00 0.00 C ATOM 171 C ALA A 11 -12.998 1.694 -5.127 1.00 0.00 C ATOM 172 O ALA A 11 -13.683 1.469 -6.114 1.00 0.00 O ATOM 173 CB ALA A 11 -11.111 3.277 -5.066 1.00 0.00 C ATOM 0 H ALA A 11 -10.161 1.683 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.049 1.251 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.596 3.711 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.030 3.384 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.450 3.795 -5.963 1.00 0.00 H new ATOM 179 N THR A 12 -13.457 1.900 -3.879 1.00 0.00 N ATOM 180 CA THR A 12 -14.874 1.810 -3.549 1.00 0.00 C ATOM 181 C THR A 12 -15.456 3.158 -3.122 1.00 0.00 C ATOM 182 O THR A 12 -16.657 3.393 -3.211 1.00 0.00 O ATOM 183 CB THR A 12 -14.974 0.841 -2.339 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.453 1.343 -1.062 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.450 -0.567 -2.728 1.00 0.00 C ATOM 0 H THR A 12 -12.857 2.130 -3.087 1.00 0.00 H new ATOM 0 HA THR A 12 -15.429 1.474 -4.425 1.00 0.00 H new ATOM 0 HB THR A 12 -16.038 0.759 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.566 0.658 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.527 -1.234 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.047 -0.963 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.408 -0.494 -3.039 1.00 0.00 H new ATOM 193 N ALA A 13 -14.528 4.021 -2.673 1.00 0.00 N ATOM 194 CA ALA A 13 -14.934 5.329 -2.183 1.00 0.00 C ATOM 195 C ALA A 13 -13.802 6.351 -2.326 1.00 0.00 C ATOM 196 O ALA A 13 -12.661 6.051 -2.646 1.00 0.00 O ATOM 197 CB ALA A 13 -15.401 5.165 -0.727 1.00 0.00 C ATOM 0 H ALA A 13 -13.525 3.836 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.759 5.720 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.712 6.133 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.241 4.471 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.581 4.774 -0.124 1.00 0.00 H new ATOM 203 N ASP A 14 -14.241 7.577 -2.012 1.00 0.00 N ATOM 204 CA ASP A 14 -13.487 8.819 -2.050 1.00 0.00 C ATOM 205 C ASP A 14 -12.172 8.799 -1.224 1.00 0.00 C ATOM 206 O ASP A 14 -11.185 9.426 -1.591 1.00 0.00 O ATOM 207 CB ASP A 14 -14.499 9.833 -1.500 1.00 0.00 C ATOM 208 CG ASP A 14 -13.992 11.285 -1.426 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.121 11.662 -2.208 1.00 0.00 O ATOM 210 OD2 ASP A 14 -14.484 12.029 -0.579 1.00 0.00 O ATOM 0 H ASP A 14 -15.202 7.728 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.124 9.045 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.392 9.807 -2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.800 9.518 -0.501 1.00 0.00 H new ATOM 215 N ASP A 15 -12.202 8.009 -0.126 1.00 0.00 N ATOM 216 CA ASP A 15 -11.027 7.952 0.748 1.00 0.00 C ATOM 217 C ASP A 15 -9.997 6.873 0.350 1.00 0.00 C ATOM 218 O ASP A 15 -8.914 6.798 0.914 1.00 0.00 O ATOM 219 CB ASP A 15 -11.575 7.694 2.160 1.00 0.00 C ATOM 220 CG ASP A 15 -12.269 6.332 2.409 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.366 5.514 1.497 1.00 0.00 O ATOM 222 OD2 ASP A 15 -12.709 6.110 3.536 1.00 0.00 O ATOM 0 H ASP A 15 -12.992 7.430 0.160 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.472 8.887 0.675 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.749 7.787 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.287 8.485 2.396 1.00 0.00 H new ATOM 227 N GLU A 16 -10.369 6.124 -0.696 1.00 0.00 N ATOM 228 CA GLU A 16 -9.557 5.048 -1.259 1.00 0.00 C ATOM 229 C GLU A 16 -9.105 5.463 -2.672 1.00 0.00 C ATOM 230 O GLU A 16 -9.737 6.252 -3.364 1.00 0.00 O ATOM 231 CB GLU A 16 -10.417 3.772 -1.387 1.00 0.00 C ATOM 232 CG GLU A 16 -10.475 2.950 -0.089 1.00 0.00 C ATOM 233 CD GLU A 16 -11.421 1.736 -0.165 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.425 1.040 -1.183 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.142 1.493 0.802 1.00 0.00 O ATOM 0 H GLU A 16 -11.258 6.254 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.698 4.860 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.429 4.051 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.016 3.149 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.471 2.602 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.795 3.598 0.727 1.00 0.00 H new ATOM 242 N LEU A 17 -7.991 4.813 -3.056 1.00 0.00 N ATOM 243 CA LEU A 17 -7.405 5.003 -4.390 1.00 0.00 C ATOM 244 C LEU A 17 -7.037 3.631 -4.963 1.00 0.00 C ATOM 245 O LEU A 17 -6.744 2.674 -4.257 1.00 0.00 O ATOM 246 CB LEU A 17 -6.296 6.080 -4.428 1.00 0.00 C ATOM 247 CG LEU A 17 -4.942 5.751 -3.771 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.078 4.791 -4.579 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.112 7.022 -3.626 1.00 0.00 C ATOM 0 H LEU A 17 -7.483 4.156 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.144 5.438 -5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.108 6.328 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.688 6.979 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.199 5.290 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.143 4.610 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.608 3.848 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.864 5.227 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.156 6.781 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.937 7.457 -4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.649 7.738 -3.003 1.00 0.00 H new ATOM 261 N SER A 18 -7.066 3.622 -6.304 1.00 0.00 N ATOM 262 CA SER A 18 -6.802 2.429 -7.082 1.00 0.00 C ATOM 263 C SER A 18 -5.301 2.170 -7.267 1.00 0.00 C ATOM 264 O SER A 18 -4.426 2.984 -6.997 1.00 0.00 O ATOM 265 CB SER A 18 -7.324 2.750 -8.523 1.00 0.00 C ATOM 266 OG SER A 18 -8.771 2.907 -8.804 1.00 0.00 O ATOM 0 H SER A 18 -7.274 4.446 -6.868 1.00 0.00 H new ATOM 0 HA SER A 18 -7.261 1.576 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.838 3.673 -8.838 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.958 1.958 -9.177 1.00 0.00 H new ATOM 0 HG SER A 18 -8.900 3.106 -9.755 1.00 0.00 H new ATOM 272 N PHE A 19 -5.138 0.956 -7.817 1.00 0.00 N ATOM 273 CA PHE A 19 -3.852 0.450 -8.277 1.00 0.00 C ATOM 274 C PHE A 19 -4.153 -0.741 -9.179 1.00 0.00 C ATOM 275 O PHE A 19 -5.297 -1.063 -9.475 1.00 0.00 O ATOM 276 CB PHE A 19 -2.857 0.054 -7.163 1.00 0.00 C ATOM 277 CG PHE A 19 -3.379 -0.830 -6.047 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.012 -0.266 -4.946 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.203 -2.214 -6.056 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.446 -1.054 -3.888 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.616 -2.992 -4.980 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.237 -2.421 -3.887 1.00 0.00 C ATOM 0 H PHE A 19 -5.907 0.299 -7.952 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.340 1.259 -8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.013 -0.454 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.470 0.969 -6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.169 0.802 -4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.740 -2.687 -6.909 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.954 -0.593 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.449 -4.059 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.552 -3.028 -3.051 1.00 0.00 H new ATOM 292 N LYS A 20 -3.045 -1.345 -9.612 1.00 0.00 N ATOM 293 CA LYS A 20 -3.069 -2.502 -10.472 1.00 0.00 C ATOM 294 C LYS A 20 -1.951 -3.394 -9.943 1.00 0.00 C ATOM 295 O LYS A 20 -0.919 -2.898 -9.505 1.00 0.00 O ATOM 296 CB LYS A 20 -2.834 -2.049 -11.927 1.00 0.00 C ATOM 297 CG LYS A 20 -4.040 -1.317 -12.560 1.00 0.00 C ATOM 298 CD LYS A 20 -3.642 -0.086 -13.394 1.00 0.00 C ATOM 299 CE LYS A 20 -3.667 1.239 -12.612 1.00 0.00 C ATOM 300 NZ LYS A 20 -4.854 2.042 -12.905 1.00 0.00 N ATOM 0 H LYS A 20 -2.105 -1.033 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.017 -3.039 -10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.966 -1.390 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.592 -2.922 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.586 -2.015 -13.195 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.722 -1.005 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.640 -0.240 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.316 -0.005 -14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.631 1.027 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.774 1.816 -12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.822 2.923 -12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.877 2.270 -13.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.708 1.505 -12.651 1.00 0.00 H new ATOM 314 N ARG A 21 -2.205 -4.711 -10.013 1.00 0.00 N ATOM 315 CA ARG A 21 -1.229 -5.689 -9.527 1.00 0.00 C ATOM 316 C ARG A 21 0.215 -5.390 -10.028 1.00 0.00 C ATOM 317 O ARG A 21 0.559 -5.696 -11.163 1.00 0.00 O ATOM 318 CB ARG A 21 -1.696 -7.072 -9.995 1.00 0.00 C ATOM 319 CG ARG A 21 -0.871 -8.223 -9.405 1.00 0.00 C ATOM 320 CD ARG A 21 0.316 -8.661 -10.272 1.00 0.00 C ATOM 321 NE ARG A 21 0.861 -9.914 -9.765 1.00 0.00 N ATOM 322 CZ ARG A 21 1.715 -9.985 -8.724 1.00 0.00 C ATOM 323 NH1 ARG A 21 2.147 -8.895 -8.099 1.00 0.00 N ATOM 324 NH2 ARG A 21 2.124 -11.176 -8.314 1.00 0.00 N ATOM 0 H ARG A 21 -3.061 -5.113 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.179 -5.641 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.742 -7.206 -9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.643 -7.117 -11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.499 -7.922 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.526 -9.080 -9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.004 -8.785 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.086 -7.890 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 21 0.582 -10.782 -10.221 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.833 -7.974 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.793 -8.979 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.793 -12.019 -8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.770 -11.251 -7.528 1.00 0.00 H new ATOM 338 N GLY A 22 1.030 -4.809 -9.114 1.00 0.00 N ATOM 339 CA GLY A 22 2.418 -4.481 -9.434 1.00 0.00 C ATOM 340 C GLY A 22 2.875 -3.097 -8.951 1.00 0.00 C ATOM 341 O GLY A 22 4.069 -2.884 -8.771 1.00 0.00 O ATOM 0 H GLY A 22 0.744 -4.565 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.067 -5.238 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.551 -4.537 -10.514 1.00 0.00 H new ATOM 345 N ASP A 23 1.905 -2.164 -8.761 1.00 0.00 N ATOM 346 CA ASP A 23 2.281 -0.823 -8.314 1.00 0.00 C ATOM 347 C ASP A 23 3.202 -0.804 -7.079 1.00 0.00 C ATOM 348 O ASP A 23 3.049 -1.557 -6.126 1.00 0.00 O ATOM 349 CB ASP A 23 1.040 0.030 -8.007 1.00 0.00 C ATOM 350 CG ASP A 23 0.488 0.649 -9.312 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.058 1.638 -9.769 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.492 0.149 -9.856 1.00 0.00 O ATOM 0 H ASP A 23 0.907 -2.316 -8.906 1.00 0.00 H new ATOM 0 HA ASP A 23 2.841 -0.403 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.274 -0.585 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.297 0.819 -7.301 1.00 0.00 H new ATOM 357 N ILE A 24 4.123 0.177 -7.164 1.00 0.00 N ATOM 358 CA ILE A 24 5.070 0.477 -6.096 1.00 0.00 C ATOM 359 C ILE A 24 4.404 1.677 -5.400 1.00 0.00 C ATOM 360 O ILE A 24 4.248 2.736 -5.995 1.00 0.00 O ATOM 361 CB ILE A 24 6.480 0.805 -6.642 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.025 -0.330 -7.540 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.474 1.147 -5.516 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.592 -1.535 -6.779 1.00 0.00 C ATOM 0 H ILE A 24 4.223 0.779 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 24 5.252 -0.360 -5.422 1.00 0.00 H new ATOM 0 HB ILE A 24 6.374 1.696 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.223 -0.675 -8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.806 0.077 -8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.450 1.370 -5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.114 2.015 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.562 0.298 -4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.950 -2.279 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.418 -1.210 -6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.811 -1.973 -6.158 1.00 0.00 H new ATOM 376 N LEU A 25 4.041 1.457 -4.120 1.00 0.00 N ATOM 377 CA LEU A 25 3.326 2.479 -3.346 1.00 0.00 C ATOM 378 C LEU A 25 4.230 3.121 -2.294 1.00 0.00 C ATOM 379 O LEU A 25 5.192 2.533 -1.812 1.00 0.00 O ATOM 380 CB LEU A 25 2.161 1.814 -2.610 1.00 0.00 C ATOM 381 CG LEU A 25 1.002 1.413 -3.523 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.037 -0.090 -3.844 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.336 1.796 -2.889 1.00 0.00 C ATOM 0 H LEU A 25 4.230 0.593 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 25 2.983 3.247 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.528 0.927 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.790 2.496 -1.845 1.00 0.00 H new ATOM 0 HG LEU A 25 1.112 1.956 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.200 -0.343 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.973 -0.333 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.963 -0.661 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.150 1.503 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.445 1.284 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.368 2.874 -2.729 1.00 0.00 H new ATOM 395 N LYS A 26 3.803 4.365 -1.970 1.00 0.00 N ATOM 396 CA LYS A 26 4.518 5.173 -0.984 1.00 0.00 C ATOM 397 C LYS A 26 3.763 5.117 0.340 1.00 0.00 C ATOM 398 O LYS A 26 2.698 5.684 0.493 1.00 0.00 O ATOM 399 CB LYS A 26 4.656 6.612 -1.499 1.00 0.00 C ATOM 400 CG LYS A 26 5.863 7.351 -0.901 1.00 0.00 C ATOM 401 CD LYS A 26 6.905 7.728 -1.956 1.00 0.00 C ATOM 402 CE LYS A 26 7.730 6.516 -2.415 1.00 0.00 C ATOM 403 NZ LYS A 26 8.860 6.248 -1.528 1.00 0.00 N ATOM 0 H LYS A 26 2.981 4.814 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 26 5.523 4.782 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.748 6.596 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.746 7.165 -1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.518 8.254 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.330 6.722 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.404 8.172 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.573 8.487 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.087 5.637 -2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.098 6.691 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.387 5.422 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.489 7.076 -1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.510 6.054 -0.568 1.00 0.00 H new ATOM 417 N VAL A 27 4.384 4.445 1.322 1.00 0.00 N ATOM 418 CA VAL A 27 3.666 4.307 2.584 1.00 0.00 C ATOM 419 C VAL A 27 3.945 5.517 3.481 1.00 0.00 C ATOM 420 O VAL A 27 5.015 5.662 4.057 1.00 0.00 O ATOM 421 CB VAL A 27 4.120 2.992 3.228 1.00 0.00 C ATOM 422 CG1 VAL A 27 3.606 2.834 4.666 1.00 0.00 C ATOM 423 CG2 VAL A 27 3.652 1.810 2.365 1.00 0.00 C ATOM 0 H VAL A 27 5.310 4.020 1.273 1.00 0.00 H new ATOM 0 HA VAL A 27 2.588 4.277 2.428 1.00 0.00 H new ATOM 0 HB VAL A 27 5.209 3.009 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.956 1.886 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.980 3.654 5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.516 2.849 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.975 0.875 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.565 1.821 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.084 1.894 1.368 1.00 0.00 H new ATOM 433 N LEU A 28 2.883 6.344 3.564 1.00 0.00 N ATOM 434 CA LEU A 28 2.902 7.555 4.373 1.00 0.00 C ATOM 435 C LEU A 28 2.302 7.202 5.753 1.00 0.00 C ATOM 436 O LEU A 28 2.977 6.645 6.610 1.00 0.00 O ATOM 437 CB LEU A 28 2.190 8.688 3.606 1.00 0.00 C ATOM 438 CG LEU A 28 2.462 10.091 4.177 1.00 0.00 C ATOM 439 CD1 LEU A 28 3.898 10.538 3.872 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.463 11.115 3.617 1.00 0.00 C ATOM 0 H LEU A 28 2.003 6.184 3.074 1.00 0.00 H new ATOM 0 HA LEU A 28 3.907 7.934 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.506 8.663 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.116 8.503 3.618 1.00 0.00 H new ATOM 0 HG LEU A 28 2.336 10.038 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.065 11.532 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.601 9.836 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.050 10.564 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.677 12.098 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.554 11.156 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.449 10.819 3.886 1.00 0.00 H new ATOM 536 N ASN A 35 -5.918 -4.150 8.450 1.00 0.00 N ATOM 537 CA ASN A 35 -6.661 -4.411 7.227 1.00 0.00 C ATOM 538 C ASN A 35 -6.397 -3.361 6.115 1.00 0.00 C ATOM 539 O ASN A 35 -6.721 -3.637 4.970 1.00 0.00 O ATOM 540 CB ASN A 35 -8.160 -4.353 7.562 1.00 0.00 C ATOM 541 CG ASN A 35 -8.724 -5.681 8.078 1.00 0.00 C ATOM 542 OD1 ASN A 35 -8.234 -6.758 7.767 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.804 -5.526 8.859 1.00 0.00 N ATOM 0 HA ASN A 35 -6.341 -5.384 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.327 -3.581 8.313 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.712 -4.055 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.279 -6.344 9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.150 -4.590 9.071 1.00 0.00 H new ATOM 550 N TRP A 36 -5.855 -2.164 6.465 1.00 0.00 N ATOM 551 CA TRP A 36 -5.629 -1.107 5.450 1.00 0.00 C ATOM 552 C TRP A 36 -4.288 -0.358 5.667 1.00 0.00 C ATOM 553 O TRP A 36 -3.609 -0.530 6.670 1.00 0.00 O ATOM 554 CB TRP A 36 -6.794 -0.078 5.507 1.00 0.00 C ATOM 555 CG TRP A 36 -8.110 -0.732 5.134 1.00 0.00 C ATOM 556 CD1 TRP A 36 -8.914 -1.487 5.995 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.724 -0.810 3.828 1.00 0.00 C ATOM 558 NE1 TRP A 36 -9.929 -2.030 5.288 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.850 -1.649 3.958 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.417 -0.283 2.604 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.615 -1.937 2.865 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.207 -0.556 1.488 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.312 -1.390 1.619 1.00 0.00 C ATOM 0 H TRP A 36 -5.575 -1.914 7.413 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.587 -1.595 4.476 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.864 0.344 6.510 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.588 0.749 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.750 -1.615 7.055 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.652 -2.635 5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.551 0.353 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.465 -2.596 2.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -8.963 -0.123 0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.931 -1.612 0.762 1.00 0.00 H new ATOM 574 N TYR A 37 -3.920 0.400 4.603 1.00 0.00 N ATOM 575 CA TYR A 37 -2.745 1.286 4.597 1.00 0.00 C ATOM 576 C TYR A 37 -3.071 2.571 3.821 1.00 0.00 C ATOM 577 O TYR A 37 -3.821 2.547 2.858 1.00 0.00 O ATOM 578 CB TYR A 37 -1.528 0.681 3.881 1.00 0.00 C ATOM 579 CG TYR A 37 -0.869 -0.399 4.678 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.391 -0.140 5.953 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.730 -1.668 4.152 1.00 0.00 C ATOM 582 CE1 TYR A 37 0.209 -1.129 6.705 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.122 -2.673 4.880 1.00 0.00 C ATOM 584 CZ TYR A 37 0.365 -2.411 6.165 1.00 0.00 C ATOM 585 OH TYR A 37 1.048 -3.406 6.852 1.00 0.00 O ATOM 0 H TYR A 37 -4.438 0.408 3.724 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.508 1.459 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.841 0.277 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.804 1.469 3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.490 0.853 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.101 -1.878 3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.556 -0.915 7.705 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.023 -3.662 4.457 1.00 0.00 H new ATOM 0 HH TYR A 37 2.009 -3.215 6.835 1.00 0.00 H new ATOM 595 N LYS A 38 -2.471 3.684 4.288 1.00 0.00 N ATOM 596 CA LYS A 38 -2.615 4.955 3.584 1.00 0.00 C ATOM 597 C LYS A 38 -1.296 5.131 2.800 1.00 0.00 C ATOM 598 O LYS A 38 -0.227 5.206 3.397 1.00 0.00 O ATOM 599 CB LYS A 38 -2.873 6.093 4.569 1.00 0.00 C ATOM 600 CG LYS A 38 -2.990 7.444 3.850 1.00 0.00 C ATOM 601 CD LYS A 38 -3.611 8.547 4.718 1.00 0.00 C ATOM 602 CE LYS A 38 -4.560 9.461 3.930 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.786 10.759 4.566 1.00 0.00 N ATOM 0 H LYS A 38 -1.897 3.721 5.130 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.470 4.967 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.790 5.894 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.063 6.136 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.999 7.762 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.593 7.317 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.157 8.090 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.815 9.149 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.152 9.621 2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.518 8.955 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.435 11.324 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.204 10.616 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.880 11.261 4.662 1.00 0.00 H new ATOM 617 N ALA A 39 -1.421 5.202 1.457 1.00 0.00 N ATOM 618 CA ALA A 39 -0.217 5.317 0.636 1.00 0.00 C ATOM 619 C ALA A 39 -0.423 6.266 -0.547 1.00 0.00 C ATOM 620 O ALA A 39 -1.527 6.730 -0.797 1.00 0.00 O ATOM 621 CB ALA A 39 0.209 3.919 0.187 1.00 0.00 C ATOM 0 H ALA A 39 -2.303 5.182 0.946 1.00 0.00 H new ATOM 0 HA ALA A 39 0.584 5.756 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.107 3.992 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.417 3.303 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.592 3.464 -0.395 1.00 0.00 H new ATOM 627 N GLU A 40 0.712 6.540 -1.244 1.00 0.00 N ATOM 628 CA GLU A 40 0.670 7.448 -2.382 1.00 0.00 C ATOM 629 C GLU A 40 0.877 6.693 -3.704 1.00 0.00 C ATOM 630 O GLU A 40 1.762 5.857 -3.851 1.00 0.00 O ATOM 631 CB GLU A 40 1.723 8.548 -2.188 1.00 0.00 C ATOM 632 CG GLU A 40 1.246 9.925 -2.662 1.00 0.00 C ATOM 633 CD GLU A 40 2.325 10.974 -2.358 1.00 0.00 C ATOM 634 OE1 GLU A 40 2.306 11.527 -1.260 1.00 0.00 O ATOM 635 OE2 GLU A 40 3.175 11.216 -3.214 1.00 0.00 O ATOM 0 H GLU A 40 1.631 6.151 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.316 7.910 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.990 8.606 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.628 8.276 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.038 9.901 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.314 10.191 -2.162 1.00 0.00 H new ATOM 642 N LEU A 41 0.018 7.102 -4.650 1.00 0.00 N ATOM 643 CA LEU A 41 -0.012 6.571 -6.008 1.00 0.00 C ATOM 644 C LEU A 41 -0.697 7.457 -7.012 1.00 0.00 C ATOM 645 O LEU A 41 -1.791 7.966 -6.800 1.00 0.00 O ATOM 646 CB LEU A 41 -0.911 5.328 -6.120 1.00 0.00 C ATOM 647 CG LEU A 41 -0.233 3.995 -5.868 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.335 2.961 -5.664 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.581 3.645 -7.123 1.00 0.00 C ATOM 0 H LEU A 41 -0.684 7.823 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 41 1.049 6.420 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.734 5.434 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.348 5.308 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 41 0.423 4.023 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.888 1.984 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.948 3.247 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.958 2.912 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.083 2.689 -6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.086 3.576 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.324 4.422 -7.303 1.00 0.00 H new ATOM 661 N ASN A 42 0.015 7.525 -8.151 1.00 0.00 N ATOM 662 CA ASN A 42 -0.548 8.154 -9.334 1.00 0.00 C ATOM 663 C ASN A 42 -1.004 9.625 -9.178 1.00 0.00 C ATOM 664 O ASN A 42 -1.818 10.112 -9.953 1.00 0.00 O ATOM 665 CB ASN A 42 -1.687 7.166 -9.737 1.00 0.00 C ATOM 666 CG ASN A 42 -1.640 6.761 -11.207 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.870 7.543 -12.118 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.307 5.467 -11.345 1.00 0.00 N ATOM 0 H ASN A 42 0.960 7.158 -8.266 1.00 0.00 H new ATOM 0 HA ASN A 42 0.205 8.291 -10.110 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.619 6.271 -9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.651 7.628 -9.525 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.227 5.057 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.134 4.894 -10.519 1.00 0.00 H new ATOM 675 N GLY A 43 -0.437 10.294 -8.149 1.00 0.00 N ATOM 676 CA GLY A 43 -0.759 11.696 -7.872 1.00 0.00 C ATOM 677 C GLY A 43 -1.869 11.876 -6.823 1.00 0.00 C ATOM 678 O GLY A 43 -2.383 12.971 -6.635 1.00 0.00 O ATOM 0 H GLY A 43 0.239 9.882 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.141 12.206 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.065 12.180 -8.799 1.00 0.00 H new ATOM 682 N LYS A 44 -2.210 10.745 -6.162 1.00 0.00 N ATOM 683 CA LYS A 44 -3.229 10.698 -5.132 1.00 0.00 C ATOM 684 C LYS A 44 -2.675 9.943 -3.918 1.00 0.00 C ATOM 685 O LYS A 44 -1.641 9.296 -3.972 1.00 0.00 O ATOM 686 CB LYS A 44 -4.473 9.990 -5.703 1.00 0.00 C ATOM 687 CG LYS A 44 -5.453 10.981 -6.352 1.00 0.00 C ATOM 688 CD LYS A 44 -6.901 10.468 -6.363 1.00 0.00 C ATOM 689 CE LYS A 44 -7.545 10.494 -4.964 1.00 0.00 C ATOM 690 NZ LYS A 44 -8.592 11.504 -4.819 1.00 0.00 N ATOM 0 H LYS A 44 -1.772 9.842 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.510 11.703 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.162 9.251 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.980 9.449 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.413 11.929 -5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.136 11.181 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.494 11.078 -7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.919 9.449 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.967 9.512 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.770 10.677 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.981 11.465 -3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.191 12.448 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.351 11.319 -5.506 1.00 0.00 H new ATOM 704 N ASP A 45 -3.472 10.052 -2.840 1.00 0.00 N ATOM 705 CA ASP A 45 -3.167 9.408 -1.568 1.00 0.00 C ATOM 706 C ASP A 45 -4.505 8.892 -0.973 1.00 0.00 C ATOM 707 O ASP A 45 -5.493 9.614 -0.912 1.00 0.00 O ATOM 708 CB ASP A 45 -2.441 10.390 -0.630 1.00 0.00 C ATOM 709 CG ASP A 45 -3.339 11.546 -0.143 1.00 0.00 C ATOM 710 OD1 ASP A 45 -3.765 12.354 -0.968 1.00 0.00 O ATOM 711 OD2 ASP A 45 -3.607 11.619 1.057 1.00 0.00 O ATOM 0 H ASP A 45 -4.340 10.588 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.490 8.564 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.063 9.844 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.576 10.804 -1.148 1.00 0.00 H new ATOM 716 N GLY A 46 -4.501 7.604 -0.574 1.00 0.00 N ATOM 717 CA GLY A 46 -5.737 7.028 -0.038 1.00 0.00 C ATOM 718 C GLY A 46 -5.510 5.638 0.540 1.00 0.00 C ATOM 719 O GLY A 46 -4.412 5.097 0.500 1.00 0.00 O ATOM 0 H GLY A 46 -3.698 6.976 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.137 7.683 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.486 6.975 -0.828 1.00 0.00 H new ATOM 723 N PHE A 47 -6.634 5.082 1.041 1.00 0.00 N ATOM 724 CA PHE A 47 -6.598 3.759 1.643 1.00 0.00 C ATOM 725 C PHE A 47 -6.552 2.664 0.558 1.00 0.00 C ATOM 726 O PHE A 47 -7.113 2.778 -0.525 1.00 0.00 O ATOM 727 CB PHE A 47 -7.836 3.562 2.533 1.00 0.00 C ATOM 728 CG PHE A 47 -7.840 4.515 3.700 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.944 4.367 4.751 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.732 5.573 3.743 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.935 5.257 5.813 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.720 6.477 4.787 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.826 6.315 5.829 1.00 0.00 C ATOM 0 H PHE A 47 -7.552 5.527 1.035 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.696 3.678 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.738 3.710 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.861 2.536 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.243 3.545 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.450 5.694 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.235 5.125 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.408 7.309 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.823 7.013 6.653 1.00 0.00 H new ATOM 743 N ILE A 48 -5.825 1.605 0.967 1.00 0.00 N ATOM 744 CA ILE A 48 -5.608 0.402 0.175 1.00 0.00 C ATOM 745 C ILE A 48 -5.625 -0.788 1.156 1.00 0.00 C ATOM 746 O ILE A 48 -5.112 -0.658 2.259 1.00 0.00 O ATOM 747 CB ILE A 48 -4.257 0.511 -0.556 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.103 0.922 0.390 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.346 1.515 -1.719 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.762 0.269 0.066 1.00 0.00 C ATOM 0 H ILE A 48 -5.367 1.573 1.878 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.379 0.267 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.035 -0.483 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.985 2.005 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.380 0.668 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.381 1.576 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.104 1.183 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.616 2.497 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.010 0.611 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.859 -0.815 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.458 0.543 -0.944 1.00 0.00 H new ATOM 762 N PRO A 49 -6.166 -1.973 0.751 1.00 0.00 N ATOM 763 CA PRO A 49 -6.227 -3.102 1.684 1.00 0.00 C ATOM 764 C PRO A 49 -4.911 -3.882 1.865 1.00 0.00 C ATOM 765 O PRO A 49 -4.209 -4.161 0.904 1.00 0.00 O ATOM 766 CB PRO A 49 -7.341 -3.988 1.146 1.00 0.00 C ATOM 767 CG PRO A 49 -7.538 -3.602 -0.320 1.00 0.00 C ATOM 768 CD PRO A 49 -6.823 -2.269 -0.540 1.00 0.00 C ATOM 0 HA PRO A 49 -6.416 -2.734 2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.076 -5.041 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.261 -3.841 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.130 -4.370 -0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.599 -3.512 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.094 -2.340 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.527 -1.483 -0.814 1.00 0.00 H new ATOM 776 N LYS A 50 -4.724 -4.366 3.120 1.00 0.00 N ATOM 777 CA LYS A 50 -3.507 -5.094 3.483 1.00 0.00 C ATOM 778 C LYS A 50 -3.421 -6.443 2.761 1.00 0.00 C ATOM 779 O LYS A 50 -2.380 -6.765 2.213 1.00 0.00 O ATOM 780 CB LYS A 50 -3.620 -5.438 4.987 1.00 0.00 C ATOM 781 CG LYS A 50 -2.615 -4.699 5.842 1.00 0.00 C ATOM 782 CD LYS A 50 -2.857 -4.905 7.351 1.00 0.00 C ATOM 783 CE LYS A 50 -2.082 -6.064 7.999 1.00 0.00 C ATOM 784 NZ LYS A 50 -1.563 -5.716 9.324 1.00 0.00 N ATOM 0 H LYS A 50 -5.397 -4.261 3.879 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.645 -4.479 3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.626 -5.201 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.481 -6.511 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.610 -5.037 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.661 -3.634 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.597 -3.983 7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.922 -5.071 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.736 -6.932 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.254 -6.351 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.049 -6.529 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.918 -4.904 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.354 -5.468 9.952 1.00 0.00 H new ATOM 798 N ASN A 51 -4.546 -7.180 2.721 1.00 0.00 N ATOM 799 CA ASN A 51 -4.464 -8.483 2.031 1.00 0.00 C ATOM 800 C ASN A 51 -4.239 -8.380 0.498 1.00 0.00 C ATOM 801 O ASN A 51 -3.887 -9.370 -0.129 1.00 0.00 O ATOM 802 CB ASN A 51 -5.560 -9.478 2.439 1.00 0.00 C ATOM 803 CG ASN A 51 -6.985 -8.922 2.538 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.507 -8.726 3.625 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.593 -8.707 1.367 1.00 0.00 N ATOM 0 H ASN A 51 -5.450 -6.928 3.120 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.542 -8.927 2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.562 -10.297 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.292 -9.904 3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.551 -8.358 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.099 -8.892 0.494 1.00 0.00 H new ATOM 812 N TYR A 52 -4.359 -7.143 -0.052 1.00 0.00 N ATOM 813 CA TYR A 52 -4.097 -6.938 -1.482 1.00 0.00 C ATOM 814 C TYR A 52 -2.629 -6.506 -1.734 1.00 0.00 C ATOM 815 O TYR A 52 -2.227 -6.458 -2.886 1.00 0.00 O ATOM 816 CB TYR A 52 -5.046 -5.891 -2.067 1.00 0.00 C ATOM 817 CG TYR A 52 -6.329 -6.529 -2.542 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.213 -7.157 -1.678 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.656 -6.490 -3.885 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.396 -7.722 -2.144 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.816 -7.070 -4.370 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.729 -7.679 -3.502 1.00 0.00 C ATOM 823 OH TYR A 52 -9.926 -8.258 -3.946 1.00 0.00 O ATOM 0 H TYR A 52 -4.627 -6.304 0.462 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.268 -7.893 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.269 -5.135 -1.314 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.561 -5.379 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.979 -7.209 -0.625 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.989 -5.994 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.067 -8.201 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.018 -7.052 -5.431 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.253 -8.891 -3.273 1.00 0.00 H new ATOM 833 N ILE A 53 -1.876 -6.174 -0.652 1.00 0.00 N ATOM 834 CA ILE A 53 -0.459 -5.749 -0.773 1.00 0.00 C ATOM 835 C ILE A 53 0.422 -6.539 0.231 1.00 0.00 C ATOM 836 O ILE A 53 -0.039 -7.338 1.035 1.00 0.00 O ATOM 837 CB ILE A 53 -0.287 -4.191 -0.659 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.899 -3.671 0.195 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.559 -3.479 -0.223 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.883 -2.194 0.491 1.00 0.00 C ATOM 0 H ILE A 53 -2.225 -6.193 0.306 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.111 -5.994 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.043 -3.937 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.910 -4.214 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.829 -3.911 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.374 -2.407 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.350 -3.671 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.866 -3.849 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.754 -1.934 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.908 -1.635 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.025 -1.943 1.039 1.00 0.00 H new ATOM 852 N GLU A 54 1.735 -6.258 0.080 1.00 0.00 N ATOM 853 CA GLU A 54 2.815 -6.774 0.906 1.00 0.00 C ATOM 854 C GLU A 54 3.748 -5.577 1.216 1.00 0.00 C ATOM 855 O GLU A 54 4.043 -4.752 0.360 1.00 0.00 O ATOM 856 CB GLU A 54 3.555 -7.869 0.130 1.00 0.00 C ATOM 857 CG GLU A 54 4.552 -8.669 0.984 1.00 0.00 C ATOM 858 CD GLU A 54 5.053 -9.908 0.214 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.399 -9.780 -0.961 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.073 -10.995 0.789 1.00 0.00 O ATOM 0 H GLU A 54 2.071 -5.637 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 54 2.451 -7.213 1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.824 -8.556 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.089 -7.413 -0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.397 -8.036 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.076 -8.980 1.914 1.00 0.00 H new ATOM 867 N MET A 55 4.119 -5.476 2.508 1.00 0.00 N ATOM 868 CA MET A 55 5.025 -4.415 2.963 1.00 0.00 C ATOM 869 C MET A 55 6.481 -4.865 2.766 1.00 0.00 C ATOM 870 O MET A 55 6.780 -6.051 2.700 1.00 0.00 O ATOM 871 CB MET A 55 4.789 -4.029 4.429 1.00 0.00 C ATOM 872 CG MET A 55 3.454 -3.303 4.662 1.00 0.00 C ATOM 873 SD MET A 55 3.605 -1.928 5.828 1.00 0.00 S ATOM 874 CE MET A 55 4.448 -2.730 7.213 1.00 0.00 C ATOM 0 H MET A 55 3.807 -6.110 3.243 1.00 0.00 H new ATOM 0 HA MET A 55 4.820 -3.528 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.816 -4.929 5.043 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.605 -3.389 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.078 -2.928 3.710 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.718 -4.014 5.038 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.284 -2.152 8.123 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.052 -3.737 7.346 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.517 -2.785 7.006 1.00 0.00 H new ATOM 943 N PRO B 2 -8.537 -12.624 -6.595 1.00 0.00 N ATOM 944 CA PRO B 2 -8.048 -11.987 -5.392 1.00 0.00 C ATOM 945 C PRO B 2 -8.926 -12.190 -4.143 1.00 0.00 C ATOM 946 O PRO B 2 -10.111 -12.496 -4.227 1.00 0.00 O ATOM 947 CB PRO B 2 -7.914 -10.501 -5.710 1.00 0.00 C ATOM 948 CG PRO B 2 -8.347 -10.303 -7.157 1.00 0.00 C ATOM 949 CD PRO B 2 -8.839 -11.662 -7.663 1.00 0.00 C ATOM 0 HA PRO B 2 -7.099 -12.452 -5.127 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.535 -9.908 -5.039 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.885 -10.170 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -9.138 -9.556 -7.225 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.516 -9.943 -7.763 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.908 -11.636 -7.874 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -8.337 -11.938 -8.590 1.00 0.00 H new ATOM 957 N PRO B 3 -8.257 -11.977 -2.972 1.00 0.00 N ATOM 958 CA PRO B 3 -8.912 -12.067 -1.665 1.00 0.00 C ATOM 959 C PRO B 3 -10.155 -11.172 -1.444 1.00 0.00 C ATOM 960 O PRO B 3 -10.336 -10.151 -2.090 1.00 0.00 O ATOM 961 CB PRO B 3 -7.851 -11.478 -0.705 1.00 0.00 C ATOM 962 CG PRO B 3 -6.495 -11.607 -1.393 1.00 0.00 C ATOM 963 CD PRO B 3 -6.801 -11.719 -2.886 1.00 0.00 C ATOM 0 HA PRO B 3 -9.245 -13.097 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -8.071 -10.434 -0.483 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.853 -12.013 0.245 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.866 -10.741 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.956 -12.485 -1.036 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.533 -10.802 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.231 -12.527 -3.344 1.00 0.00 H new ATOM 971 N PRO B 4 -10.984 -11.568 -0.435 1.00 0.00 N ATOM 972 CA PRO B 4 -12.129 -10.748 -0.012 1.00 0.00 C ATOM 973 C PRO B 4 -11.533 -9.548 0.724 1.00 0.00 C ATOM 974 O PRO B 4 -10.734 -9.704 1.640 1.00 0.00 O ATOM 975 CB PRO B 4 -12.920 -11.630 0.971 1.00 0.00 C ATOM 976 CG PRO B 4 -12.056 -12.868 1.260 1.00 0.00 C ATOM 977 CD PRO B 4 -10.861 -12.828 0.301 1.00 0.00 C ATOM 0 HA PRO B 4 -12.770 -10.410 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.134 -11.086 1.891 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.879 -11.921 0.542 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.717 -12.866 2.296 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.633 -13.781 1.116 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.919 -12.871 0.848 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.875 -13.681 -0.378 1.00 0.00 H new ATOM 985 N VAL B 5 -11.958 -8.356 0.270 1.00 0.00 N ATOM 986 CA VAL B 5 -11.411 -7.158 0.879 1.00 0.00 C ATOM 987 C VAL B 5 -11.971 -7.006 2.300 1.00 0.00 C ATOM 988 O VAL B 5 -13.058 -7.490 2.594 1.00 0.00 O ATOM 989 CB VAL B 5 -11.731 -5.944 0.032 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.837 -4.743 0.358 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.571 -6.177 -1.445 1.00 0.00 C ATOM 0 H VAL B 5 -12.640 -8.210 -0.474 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.326 -7.243 0.940 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.774 -5.744 0.275 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.111 -3.902 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.969 -4.464 1.403 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.794 -5.007 0.182 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.818 -5.264 -1.986 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.540 -6.459 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.239 -6.978 -1.761 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.158 -6.393 3.194 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.618 -6.171 4.548 1.00 0.00 C ATOM 1003 C PRO B 6 -12.702 -5.101 4.690 1.00 0.00 C ATOM 1004 O PRO B 6 -12.791 -4.174 3.898 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.393 -5.618 5.280 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.172 -5.844 4.400 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.726 -6.120 3.013 1.00 0.00 C ATOM 0 HA PRO B 6 -12.039 -7.104 4.923 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.521 -4.556 5.487 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.267 -6.117 6.241 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.521 -4.969 4.397 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.577 -6.683 4.760 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.572 -5.265 2.355 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.222 -6.970 2.554 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.499 -5.229 5.782 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.490 -4.201 6.082 1.00 0.00 C ATOM 1017 C PRO B 7 -13.697 -2.954 6.542 1.00 0.00 C ATOM 1018 O PRO B 7 -12.906 -3.033 7.475 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.308 -4.775 7.248 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.514 -5.968 7.800 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.485 -6.346 6.733 1.00 0.00 C ATOM 0 HA PRO B 7 -15.137 -3.933 5.247 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.461 -4.022 8.021 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.295 -5.090 6.910 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.021 -5.705 8.736 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.176 -6.807 8.013 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.495 -6.481 7.169 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.749 -7.284 6.245 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.925 -1.821 5.840 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.200 -0.605 6.215 1.00 0.00 C ATOM 1031 C ARG B 8 -13.808 -0.037 7.505 1.00 0.00 C ATOM 1032 O ARG B 8 -14.958 -0.295 7.835 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.112 0.446 5.079 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.555 -0.020 3.680 1.00 0.00 C ATOM 1035 CD ARG B 8 -15.058 0.166 3.428 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.315 1.485 2.854 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.537 1.853 2.415 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -17.598 1.074 2.593 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.677 3.016 1.792 1.00 0.00 N ATOM 0 H ARG B 8 -14.570 -1.730 5.055 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.161 -0.876 6.400 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -13.720 1.306 5.361 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.081 0.792 5.013 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.996 0.533 2.926 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.300 -1.073 3.557 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -15.419 -0.609 2.752 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -15.607 0.055 4.363 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.545 2.150 2.783 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -17.498 0.178 3.070 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -18.512 1.372 2.253 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -15.867 3.619 1.650 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -17.595 3.307 1.455 1.00 0.00 H new