USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 476 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 36 LYS NZ :NH3+ 138:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.14 K(o=2.4,f=-9.1!) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 19 ASN : amide:sc= 0.151 X(o=0.15,f=0.57) USER MOD Single : A 1 GLY N :NH3+ -156:sc= -0.0354 (180deg=-0.154) USER MOD Single : A 3 MET CE :methyl 171:sc= 0 (180deg=-0.0883) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -34:sc= -3.32! USER MOD Single : A 11 THR OG1 : rot 143:sc= 1.02 USER MOD Single : A 15 TYR OH : rot -112:sc= 0.814 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.706 USER MOD Single : A 32 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=0.013) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.492 K(o=-0.49,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc=-0.00831 (180deg=-0.15) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.267 -3.473 0.160 1.00 0.00 N ATOM 2 CA GLY A 1 -11.693 -3.051 0.061 1.00 0.00 C ATOM 3 C GLY A 1 -12.399 -3.063 1.404 1.00 0.00 C ATOM 4 O GLY A 1 -12.572 -2.012 2.024 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.732 -3.079 -0.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.863 -3.124 1.052 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.210 -4.511 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.743 -2.048 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.217 -3.714 -0.627 1.00 0.00 H new ATOM 10 N ALA A 2 -12.805 -4.258 1.849 1.00 0.00 N ATOM 11 CA ALA A 2 -13.501 -4.430 3.126 1.00 0.00 C ATOM 12 C ALA A 2 -14.894 -3.794 3.093 1.00 0.00 C ATOM 13 O ALA A 2 -15.890 -4.502 2.932 1.00 0.00 O ATOM 14 CB ALA A 2 -12.667 -3.870 4.275 1.00 0.00 C ATOM 0 H ALA A 2 -12.661 -5.128 1.336 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.634 -5.499 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.203 -4.008 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.713 -4.394 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.489 -2.807 4.111 1.00 0.00 H new ATOM 20 N MET A 3 -14.972 -2.467 3.237 1.00 0.00 N ATOM 21 CA MET A 3 -16.264 -1.782 3.237 1.00 0.00 C ATOM 22 C MET A 3 -16.407 -0.840 2.039 1.00 0.00 C ATOM 23 O MET A 3 -16.794 0.321 2.199 1.00 0.00 O ATOM 24 CB MET A 3 -16.447 -1.013 4.552 1.00 0.00 C ATOM 25 CG MET A 3 -17.894 -0.645 4.846 1.00 0.00 C ATOM 26 SD MET A 3 -18.177 -0.265 6.586 1.00 0.00 S ATOM 27 CE MET A 3 -17.064 1.118 6.821 1.00 0.00 C ATOM 0 H MET A 3 -14.165 -1.854 3.354 1.00 0.00 H new ATOM 0 HA MET A 3 -17.045 -2.537 3.150 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.060 -1.617 5.373 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.849 -0.102 4.517 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.176 0.216 4.240 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.542 -1.470 4.549 1.00 0.00 H new ATOM 0 HE1 MET A 3 -17.241 1.565 7.799 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.033 0.769 6.763 1.00 0.00 H new ATOM 0 HE3 MET A 3 -17.240 1.862 6.044 1.00 0.00 H new ATOM 37 N GLY A 4 -16.102 -1.336 0.834 1.00 0.00 N ATOM 38 CA GLY A 4 -16.215 -0.494 -0.347 1.00 0.00 C ATOM 39 C GLY A 4 -15.504 -1.060 -1.561 1.00 0.00 C ATOM 40 O GLY A 4 -14.900 -2.133 -1.502 1.00 0.00 O ATOM 0 H GLY A 4 -15.784 -2.289 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.270 -0.355 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.806 0.491 -0.122 1.00 0.00 H new ATOM 44 N ALA A 5 -15.584 -0.320 -2.670 1.00 0.00 N ATOM 45 CA ALA A 5 -14.994 -0.746 -3.935 1.00 0.00 C ATOM 46 C ALA A 5 -13.663 -0.056 -4.227 1.00 0.00 C ATOM 47 O ALA A 5 -12.840 -0.596 -4.969 1.00 0.00 O ATOM 48 CB ALA A 5 -15.973 -0.489 -5.071 1.00 0.00 C ATOM 0 H ALA A 5 -16.056 0.583 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.788 -1.813 -3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.529 -0.808 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.891 -1.050 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -16.202 0.576 -5.120 1.00 0.00 H new ATOM 54 N LYS A 6 -13.439 1.129 -3.648 1.00 0.00 N ATOM 55 CA LYS A 6 -12.201 1.859 -3.890 1.00 0.00 C ATOM 56 C LYS A 6 -11.511 2.235 -2.583 1.00 0.00 C ATOM 57 O LYS A 6 -12.141 2.794 -1.683 1.00 0.00 O ATOM 58 CB LYS A 6 -12.468 3.108 -4.733 1.00 0.00 C ATOM 59 CG LYS A 6 -12.433 2.852 -6.235 1.00 0.00 C ATOM 60 CD LYS A 6 -11.014 2.605 -6.737 1.00 0.00 C ATOM 61 CE LYS A 6 -10.660 1.124 -6.752 1.00 0.00 C ATOM 62 NZ LYS A 6 -9.285 0.885 -7.275 1.00 0.00 N ATOM 0 H LYS A 6 -14.092 1.594 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.531 1.201 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.443 3.515 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.727 3.868 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.057 1.990 -6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.860 3.707 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.910 3.012 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.307 3.140 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.739 0.722 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.381 0.585 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.084 -0.135 -7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.216 1.245 -8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.594 1.378 -6.674 1.00 0.00 H new ATOM 76 N GLU A 7 -10.218 1.931 -2.482 1.00 0.00 N ATOM 77 CA GLU A 7 -9.455 2.259 -1.282 1.00 0.00 C ATOM 78 C GLU A 7 -8.231 3.089 -1.656 1.00 0.00 C ATOM 79 O GLU A 7 -7.447 2.695 -2.522 1.00 0.00 O ATOM 80 CB GLU A 7 -9.018 0.981 -0.557 1.00 0.00 C ATOM 81 CG GLU A 7 -10.171 0.089 -0.117 1.00 0.00 C ATOM 82 CD GLU A 7 -11.019 0.714 0.976 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.543 0.789 2.128 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.162 1.121 0.680 1.00 0.00 O ATOM 0 H GLU A 7 -9.681 1.462 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.091 2.838 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.362 0.410 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.431 1.256 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.802 -0.131 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.773 -0.862 0.238 1.00 0.00 H new ATOM 91 N TYR A 8 -8.074 4.240 -1.002 1.00 0.00 N ATOM 92 CA TYR A 8 -6.941 5.121 -1.271 1.00 0.00 C ATOM 93 C TYR A 8 -6.211 5.435 0.028 1.00 0.00 C ATOM 94 O TYR A 8 -6.852 5.761 1.029 1.00 0.00 O ATOM 95 CB TYR A 8 -7.412 6.432 -1.913 1.00 0.00 C ATOM 96 CG TYR A 8 -8.318 6.251 -3.112 1.00 0.00 C ATOM 97 CD1 TYR A 8 -9.695 6.143 -2.957 1.00 0.00 C ATOM 98 CD2 TYR A 8 -7.797 6.199 -4.399 1.00 0.00 C ATOM 99 CE1 TYR A 8 -10.526 5.988 -4.050 1.00 0.00 C ATOM 100 CE2 TYR A 8 -8.621 6.042 -5.496 1.00 0.00 C ATOM 101 CZ TYR A 8 -9.985 5.937 -5.317 1.00 0.00 C ATOM 102 OH TYR A 8 -10.812 5.785 -6.408 1.00 0.00 O ATOM 0 H TYR A 8 -8.715 4.582 -0.286 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.268 4.611 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.937 7.022 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.538 7.008 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.122 6.181 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.730 6.283 -4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.594 5.907 -3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.200 6.002 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.274 5.769 -7.227 1.00 0.00 H new ATOM 112 N CYS A 9 -4.887 5.362 0.028 1.00 0.00 N ATOM 113 CA CYS A 9 -4.128 5.656 1.237 1.00 0.00 C ATOM 114 C CYS A 9 -3.013 6.647 0.936 1.00 0.00 C ATOM 115 O CYS A 9 -2.349 6.542 -0.097 1.00 0.00 O ATOM 116 CB CYS A 9 -3.565 4.370 1.854 1.00 0.00 C ATOM 117 SG CYS A 9 -2.605 3.348 0.713 1.00 0.00 S ATOM 0 H CYS A 9 -4.323 5.106 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.802 6.109 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.934 4.635 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.392 3.777 2.245 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.106 3.444 -0.483 1.00 0.00 H new ATOM 123 N ARG A 10 -2.799 7.605 1.831 1.00 0.00 N ATOM 124 CA ARG A 10 -1.762 8.609 1.631 1.00 0.00 C ATOM 125 C ARG A 10 -0.522 8.233 2.426 1.00 0.00 C ATOM 126 O ARG A 10 -0.608 7.953 3.621 1.00 0.00 O ATOM 127 CB ARG A 10 -2.270 9.989 2.055 1.00 0.00 C ATOM 128 CG ARG A 10 -1.300 11.121 1.751 1.00 0.00 C ATOM 129 CD ARG A 10 -2.014 12.463 1.696 1.00 0.00 C ATOM 130 NE ARG A 10 -2.770 12.739 2.920 1.00 0.00 N ATOM 131 CZ ARG A 10 -3.864 13.505 2.968 1.00 0.00 C ATOM 132 NH1 ARG A 10 -4.335 14.087 1.867 1.00 0.00 N ATOM 133 NH2 ARG A 10 -4.490 13.690 4.126 1.00 0.00 N ATOM 0 H ARG A 10 -3.327 7.707 2.698 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.505 8.648 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.216 10.188 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.476 9.977 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.523 11.151 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.804 10.932 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.283 13.255 1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.691 12.478 0.842 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.441 12.320 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.860 13.950 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.171 14.670 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.135 13.248 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.325 14.274 4.167 1.00 0.00 H new ATOM 147 N THR A 11 0.632 8.247 1.772 1.00 0.00 N ATOM 148 CA THR A 11 1.876 7.882 2.433 1.00 0.00 C ATOM 149 C THR A 11 2.403 9.031 3.289 1.00 0.00 C ATOM 150 O THR A 11 2.318 10.197 2.901 1.00 0.00 O ATOM 151 CB THR A 11 2.954 7.450 1.418 1.00 0.00 C ATOM 152 OG1 THR A 11 3.125 8.460 0.419 1.00 0.00 O ATOM 153 CG2 THR A 11 2.569 6.137 0.751 1.00 0.00 C ATOM 0 H THR A 11 0.732 8.506 0.790 1.00 0.00 H new ATOM 0 HA THR A 11 1.654 7.033 3.080 1.00 0.00 H new ATOM 0 HB THR A 11 3.891 7.311 1.957 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.072 8.519 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.343 5.850 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.467 5.360 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.621 6.259 0.227 1.00 0.00 H new ATOM 161 N LEU A 12 2.934 8.693 4.460 1.00 0.00 N ATOM 162 CA LEU A 12 3.484 9.698 5.370 1.00 0.00 C ATOM 163 C LEU A 12 4.971 9.454 5.650 1.00 0.00 C ATOM 164 O LEU A 12 5.626 10.287 6.279 1.00 0.00 O ATOM 165 CB LEU A 12 2.686 9.748 6.680 1.00 0.00 C ATOM 166 CG LEU A 12 1.951 8.459 7.071 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.685 7.738 8.190 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.518 8.768 7.481 1.00 0.00 C ATOM 0 H LEU A 12 2.996 7.734 4.803 1.00 0.00 H new ATOM 0 HA LEU A 12 3.396 10.666 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.368 10.013 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.954 10.552 6.605 1.00 0.00 H new ATOM 0 HG LEU A 12 1.927 7.801 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.146 6.827 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.691 7.482 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.744 8.387 9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.011 7.843 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.522 9.447 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.006 9.236 6.648 1.00 0.00 H new ATOM 180 N PHE A 13 5.504 8.319 5.183 1.00 0.00 N ATOM 181 CA PHE A 13 6.910 7.984 5.386 1.00 0.00 C ATOM 182 C PHE A 13 7.439 7.182 4.201 1.00 0.00 C ATOM 183 O PHE A 13 6.676 6.478 3.534 1.00 0.00 O ATOM 184 CB PHE A 13 7.096 7.190 6.683 1.00 0.00 C ATOM 185 CG PHE A 13 7.103 8.048 7.918 1.00 0.00 C ATOM 186 CD1 PHE A 13 8.043 9.056 8.071 1.00 0.00 C ATOM 187 CD2 PHE A 13 6.171 7.847 8.924 1.00 0.00 C ATOM 188 CE1 PHE A 13 8.053 9.847 9.204 1.00 0.00 C ATOM 189 CE2 PHE A 13 6.177 8.635 10.059 1.00 0.00 C ATOM 190 CZ PHE A 13 7.119 9.636 10.199 1.00 0.00 C ATOM 0 H PHE A 13 4.978 7.618 4.661 1.00 0.00 H new ATOM 0 HA PHE A 13 7.475 8.913 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.296 6.454 6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.034 6.637 6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.776 9.225 7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.432 7.066 8.820 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.790 10.629 9.311 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.446 8.469 10.836 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.125 10.253 11.086 1.00 0.00 H new ATOM 200 N PRO A 14 8.752 7.271 3.918 1.00 0.00 N ATOM 201 CA PRO A 14 9.356 6.548 2.803 1.00 0.00 C ATOM 202 C PRO A 14 9.596 5.083 3.151 1.00 0.00 C ATOM 203 O PRO A 14 10.091 4.759 4.234 1.00 0.00 O ATOM 204 CB PRO A 14 10.679 7.282 2.591 1.00 0.00 C ATOM 205 CG PRO A 14 11.040 7.812 3.938 1.00 0.00 C ATOM 206 CD PRO A 14 9.742 8.073 4.663 1.00 0.00 C ATOM 0 HA PRO A 14 8.722 6.532 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.448 6.610 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.573 8.087 1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.651 7.094 4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.625 8.727 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.799 7.767 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.486 9.132 4.655 1.00 0.00 H new ATOM 214 N TYR A 15 9.235 4.205 2.220 1.00 0.00 N ATOM 215 CA TYR A 15 9.386 2.769 2.400 1.00 0.00 C ATOM 216 C TYR A 15 10.121 2.158 1.210 1.00 0.00 C ATOM 217 O TYR A 15 9.718 2.349 0.061 1.00 0.00 O ATOM 218 CB TYR A 15 8.008 2.121 2.562 1.00 0.00 C ATOM 219 CG TYR A 15 8.047 0.630 2.811 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.460 0.121 4.035 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.663 -0.269 1.823 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.489 -1.239 4.269 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.691 -1.631 2.048 1.00 0.00 C ATOM 224 CZ TYR A 15 8.104 -2.111 3.274 1.00 0.00 C ATOM 225 OH TYR A 15 8.129 -3.466 3.507 1.00 0.00 O ATOM 0 H TYR A 15 8.831 4.471 1.322 1.00 0.00 H new ATOM 0 HA TYR A 15 9.974 2.585 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.488 2.602 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.422 2.312 1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.764 0.801 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.337 0.104 0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.812 -1.618 5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.391 -2.317 1.269 1.00 0.00 H new ATOM 0 HH TYR A 15 8.824 -3.880 2.954 1.00 0.00 H new ATOM 235 N THR A 16 11.196 1.424 1.492 1.00 0.00 N ATOM 236 CA THR A 16 11.981 0.780 0.445 1.00 0.00 C ATOM 237 C THR A 16 11.765 -0.729 0.480 1.00 0.00 C ATOM 238 O THR A 16 12.012 -1.372 1.504 1.00 0.00 O ATOM 239 CB THR A 16 13.489 1.075 0.602 1.00 0.00 C ATOM 240 OG1 THR A 16 13.716 2.491 0.660 1.00 0.00 O ATOM 241 CG2 THR A 16 14.282 0.477 -0.553 1.00 0.00 C ATOM 0 H THR A 16 11.542 1.261 2.438 1.00 0.00 H new ATOM 0 HA THR A 16 11.645 1.185 -0.510 1.00 0.00 H new ATOM 0 HB THR A 16 13.827 0.618 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.675 2.665 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.341 0.698 -0.420 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.136 -0.603 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.937 0.908 -1.493 1.00 0.00 H new ATOM 249 N GLY A 17 11.301 -1.294 -0.635 1.00 0.00 N ATOM 250 CA GLY A 17 11.065 -2.724 -0.697 1.00 0.00 C ATOM 251 C GLY A 17 12.353 -3.525 -0.653 1.00 0.00 C ATOM 252 O GLY A 17 13.267 -3.280 -1.442 1.00 0.00 O ATOM 0 H GLY A 17 11.086 -0.786 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.427 -3.021 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.524 -2.961 -1.613 1.00 0.00 H new ATOM 256 N THR A 18 12.425 -4.483 0.269 1.00 0.00 N ATOM 257 CA THR A 18 13.612 -5.323 0.416 1.00 0.00 C ATOM 258 C THR A 18 13.615 -6.457 -0.608 1.00 0.00 C ATOM 259 O THR A 18 14.667 -6.869 -1.098 1.00 0.00 O ATOM 260 CB THR A 18 13.713 -5.915 1.838 1.00 0.00 C ATOM 261 OG1 THR A 18 12.509 -6.619 2.170 1.00 0.00 O ATOM 262 CG2 THR A 18 13.963 -4.817 2.864 1.00 0.00 C ATOM 0 H THR A 18 11.675 -4.697 0.926 1.00 0.00 H new ATOM 0 HA THR A 18 14.477 -4.683 0.241 1.00 0.00 H new ATOM 0 HB THR A 18 14.553 -6.610 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.586 -6.991 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.031 -5.257 3.859 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.896 -4.305 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.141 -4.102 2.839 1.00 0.00 H new ATOM 270 N ASN A 19 12.411 -6.947 -0.920 1.00 0.00 N ATOM 271 CA ASN A 19 12.210 -8.012 -1.896 1.00 0.00 C ATOM 272 C ASN A 19 11.646 -7.437 -3.195 1.00 0.00 C ATOM 273 O ASN A 19 11.031 -6.368 -3.200 1.00 0.00 O ATOM 274 CB ASN A 19 11.243 -9.055 -1.334 1.00 0.00 C ATOM 275 CG ASN A 19 11.824 -9.803 -0.149 1.00 0.00 C ATOM 276 OD1 ASN A 19 12.465 -10.842 -0.310 1.00 0.00 O ATOM 277 ND2 ASN A 19 11.607 -9.276 1.052 1.00 0.00 N ATOM 0 H ASN A 19 11.546 -6.611 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 19 13.170 -8.484 -2.104 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.318 -8.564 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.984 -9.767 -2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.977 -9.734 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.070 -8.413 1.141 1.00 0.00 H new ATOM 284 N GLU A 20 11.863 -8.160 -4.296 1.00 0.00 N ATOM 285 CA GLU A 20 11.377 -7.745 -5.615 1.00 0.00 C ATOM 286 C GLU A 20 9.844 -7.662 -5.658 1.00 0.00 C ATOM 287 O GLU A 20 9.285 -6.921 -6.469 1.00 0.00 O ATOM 288 CB GLU A 20 11.887 -8.707 -6.694 1.00 0.00 C ATOM 289 CG GLU A 20 11.448 -10.152 -6.492 1.00 0.00 C ATOM 290 CD GLU A 20 12.293 -11.135 -7.281 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.013 -11.330 -8.482 1.00 0.00 O ATOM 292 OE2 GLU A 20 13.235 -11.711 -6.695 1.00 0.00 O ATOM 0 H GLU A 20 12.376 -9.042 -4.300 1.00 0.00 H new ATOM 0 HA GLU A 20 11.766 -6.746 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.536 -8.364 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.976 -8.668 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.504 -10.400 -5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.404 -10.256 -6.789 1.00 0.00 H new ATOM 299 N ASP A 21 9.170 -8.418 -4.783 1.00 0.00 N ATOM 300 CA ASP A 21 7.706 -8.419 -4.728 1.00 0.00 C ATOM 301 C ASP A 21 7.191 -7.317 -3.793 1.00 0.00 C ATOM 302 O ASP A 21 6.004 -6.985 -3.813 1.00 0.00 O ATOM 303 CB ASP A 21 7.196 -9.786 -4.254 1.00 0.00 C ATOM 304 CG ASP A 21 7.301 -9.964 -2.748 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.421 -10.210 -2.254 1.00 0.00 O ATOM 306 OD2 ASP A 21 6.261 -9.854 -2.063 1.00 0.00 O ATOM 0 H ASP A 21 9.616 -9.036 -4.105 1.00 0.00 H new ATOM 0 HA ASP A 21 7.329 -8.223 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.156 -9.906 -4.558 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.765 -10.573 -4.749 1.00 0.00 H new ATOM 311 N GLU A 22 8.086 -6.758 -2.977 1.00 0.00 N ATOM 312 CA GLU A 22 7.723 -5.705 -2.037 1.00 0.00 C ATOM 313 C GLU A 22 7.546 -4.366 -2.756 1.00 0.00 C ATOM 314 O GLU A 22 8.237 -4.081 -3.736 1.00 0.00 O ATOM 315 CB GLU A 22 8.792 -5.589 -0.947 1.00 0.00 C ATOM 316 CG GLU A 22 8.232 -5.655 0.463 1.00 0.00 C ATOM 317 CD GLU A 22 9.300 -5.946 1.500 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.979 -4.993 1.937 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.457 -7.127 1.875 1.00 0.00 O ATOM 0 H GLU A 22 9.071 -7.021 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 22 6.771 -5.967 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.520 -6.389 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.327 -4.648 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.746 -4.709 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.465 -6.428 0.510 1.00 0.00 H new ATOM 326 N LEU A 23 6.618 -3.549 -2.256 1.00 0.00 N ATOM 327 CA LEU A 23 6.336 -2.242 -2.852 1.00 0.00 C ATOM 328 C LEU A 23 7.287 -1.172 -2.304 1.00 0.00 C ATOM 329 O LEU A 23 7.765 -1.277 -1.173 1.00 0.00 O ATOM 330 CB LEU A 23 4.872 -1.850 -2.601 1.00 0.00 C ATOM 331 CG LEU A 23 4.048 -1.529 -3.857 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.569 -1.424 -3.516 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.534 -0.239 -4.501 1.00 0.00 C ATOM 0 H LEU A 23 6.048 -3.769 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 23 6.498 -2.312 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.383 -2.664 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.855 -0.980 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 23 4.182 -2.344 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.003 -1.196 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.223 -2.370 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.420 -0.630 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.938 -0.029 -5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.431 0.583 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.581 -0.346 -4.784 1.00 0.00 H new ATOM 345 N THR A 24 7.557 -0.146 -3.114 1.00 0.00 N ATOM 346 CA THR A 24 8.442 0.947 -2.709 1.00 0.00 C ATOM 347 C THR A 24 7.766 2.290 -2.981 1.00 0.00 C ATOM 348 O THR A 24 7.080 2.447 -3.993 1.00 0.00 O ATOM 349 CB THR A 24 9.792 0.884 -3.456 1.00 0.00 C ATOM 350 OG1 THR A 24 10.419 -0.385 -3.231 1.00 0.00 O ATOM 351 CG2 THR A 24 10.729 1.998 -3.005 1.00 0.00 C ATOM 0 H THR A 24 7.175 -0.050 -4.055 1.00 0.00 H new ATOM 0 HA THR A 24 8.639 0.843 -1.642 1.00 0.00 H new ATOM 0 HB THR A 24 9.590 1.013 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.274 -0.417 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.670 1.925 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.268 2.965 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.920 1.902 -1.936 1.00 0.00 H new ATOM 359 N PHE A 25 7.960 3.260 -2.084 1.00 0.00 N ATOM 360 CA PHE A 25 7.347 4.579 -2.248 1.00 0.00 C ATOM 361 C PHE A 25 7.942 5.607 -1.280 1.00 0.00 C ATOM 362 O PHE A 25 8.668 5.251 -0.350 1.00 0.00 O ATOM 363 CB PHE A 25 5.833 4.474 -2.020 1.00 0.00 C ATOM 364 CG PHE A 25 5.469 3.845 -0.701 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.460 4.600 0.461 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.145 2.499 -0.625 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.135 4.024 1.674 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.818 1.919 0.586 1.00 0.00 C ATOM 369 CZ PHE A 25 4.814 2.682 1.736 1.00 0.00 C ATOM 0 H PHE A 25 8.531 3.158 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 25 7.551 4.919 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.395 5.471 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.391 3.890 -2.827 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.710 5.650 0.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.148 1.897 -1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.132 4.623 2.573 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.566 0.870 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.560 2.230 2.684 1.00 0.00 H new ATOM 379 N ARG A 26 7.632 6.884 -1.515 1.00 0.00 N ATOM 380 CA ARG A 26 8.099 7.969 -0.650 1.00 0.00 C ATOM 381 C ARG A 26 6.904 8.544 0.111 1.00 0.00 C ATOM 382 O ARG A 26 5.759 8.194 -0.185 1.00 0.00 O ATOM 383 CB ARG A 26 8.772 9.066 -1.484 1.00 0.00 C ATOM 384 CG ARG A 26 7.791 10.044 -2.117 1.00 0.00 C ATOM 385 CD ARG A 26 8.429 10.836 -3.245 1.00 0.00 C ATOM 386 NE ARG A 26 8.525 10.055 -4.479 1.00 0.00 N ATOM 387 CZ ARG A 26 8.818 10.577 -5.673 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.059 11.880 -5.801 1.00 0.00 N ATOM 389 NH2 ARG A 26 8.871 9.792 -6.743 1.00 0.00 N ATOM 0 H ARG A 26 7.058 7.192 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 26 8.833 7.581 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.464 9.619 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.365 8.599 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.929 9.497 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.421 10.731 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.844 11.737 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.425 11.159 -2.942 1.00 0.00 H new ATOM 0 HE ARG A 26 8.358 9.050 -4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.021 12.488 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.282 12.270 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.688 8.793 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.095 10.188 -7.656 1.00 0.00 H new ATOM 403 N GLU A 27 7.148 9.423 1.085 1.00 0.00 N ATOM 404 CA GLU A 27 6.056 10.029 1.842 1.00 0.00 C ATOM 405 C GLU A 27 5.347 11.111 1.023 1.00 0.00 C ATOM 406 O GLU A 27 5.983 12.031 0.506 1.00 0.00 O ATOM 407 CB GLU A 27 6.570 10.624 3.157 1.00 0.00 C ATOM 408 CG GLU A 27 7.636 11.698 2.982 1.00 0.00 C ATOM 409 CD GLU A 27 9.034 11.191 3.279 1.00 0.00 C ATOM 410 OE1 GLU A 27 9.636 10.552 2.390 1.00 0.00 O ATOM 411 OE2 GLU A 27 9.525 11.431 4.401 1.00 0.00 O ATOM 0 H GLU A 27 8.081 9.727 1.364 1.00 0.00 H new ATOM 0 HA GLU A 27 5.338 9.241 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.728 11.049 3.704 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.977 9.821 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.601 12.076 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.411 12.537 3.640 1.00 0.00 H new ATOM 418 N GLY A 28 4.028 10.982 0.905 1.00 0.00 N ATOM 419 CA GLY A 28 3.239 11.943 0.152 1.00 0.00 C ATOM 420 C GLY A 28 2.882 11.424 -1.225 1.00 0.00 C ATOM 421 O GLY A 28 3.292 11.998 -2.235 1.00 0.00 O ATOM 0 H GLY A 28 3.488 10.223 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.326 12.173 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.797 12.875 0.056 1.00 0.00 H new ATOM 425 N GLU A 29 2.104 10.340 -1.260 1.00 0.00 N ATOM 426 CA GLU A 29 1.690 9.701 -2.509 1.00 0.00 C ATOM 427 C GLU A 29 0.459 8.827 -2.264 1.00 0.00 C ATOM 428 O GLU A 29 0.440 8.034 -1.321 1.00 0.00 O ATOM 429 CB GLU A 29 2.819 8.823 -3.065 1.00 0.00 C ATOM 430 CG GLU A 29 4.117 9.567 -3.343 1.00 0.00 C ATOM 431 CD GLU A 29 5.158 8.689 -4.010 1.00 0.00 C ATOM 432 OE1 GLU A 29 5.578 7.689 -3.390 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.556 9.001 -5.152 1.00 0.00 O ATOM 0 H GLU A 29 1.744 9.881 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 29 1.453 10.483 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.020 8.019 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.478 8.356 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.910 10.427 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.518 9.953 -2.406 1.00 0.00 H new ATOM 440 N ILE A 30 -0.564 8.964 -3.106 1.00 0.00 N ATOM 441 CA ILE A 30 -1.791 8.187 -2.937 1.00 0.00 C ATOM 442 C ILE A 30 -1.655 6.800 -3.561 1.00 0.00 C ATOM 443 O ILE A 30 -1.368 6.661 -4.751 1.00 0.00 O ATOM 444 CB ILE A 30 -3.011 8.903 -3.562 1.00 0.00 C ATOM 445 CG1 ILE A 30 -3.148 10.327 -3.009 1.00 0.00 C ATOM 446 CG2 ILE A 30 -4.288 8.108 -3.314 1.00 0.00 C ATOM 447 CD1 ILE A 30 -3.311 10.391 -1.504 1.00 0.00 C ATOM 0 H ILE A 30 -0.569 9.599 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.952 8.087 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.851 8.968 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.267 10.902 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.007 10.807 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.134 8.629 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.193 7.119 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.451 8.007 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.401 11.431 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.208 9.845 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.441 9.943 -1.024 1.00 0.00 H new ATOM 459 N ILE A 31 -1.864 5.780 -2.727 1.00 0.00 N ATOM 460 CA ILE A 31 -1.737 4.386 -3.143 1.00 0.00 C ATOM 461 C ILE A 31 -3.096 3.691 -3.193 1.00 0.00 C ATOM 462 O ILE A 31 -3.970 3.958 -2.366 1.00 0.00 O ATOM 463 CB ILE A 31 -0.813 3.609 -2.173 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.517 4.357 -1.975 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.574 2.186 -2.672 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.645 3.870 -2.860 1.00 0.00 C ATOM 0 H ILE A 31 -2.125 5.898 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.304 4.388 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.311 3.544 -1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.355 5.418 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.822 4.262 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.078 1.660 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.527 1.661 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.102 2.219 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.544 4.451 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.839 2.817 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.365 3.991 -3.906 1.00 0.00 H new ATOM 478 N HIS A 32 -3.268 2.802 -4.165 1.00 0.00 N ATOM 479 CA HIS A 32 -4.513 2.055 -4.317 1.00 0.00 C ATOM 480 C HIS A 32 -4.430 0.737 -3.551 1.00 0.00 C ATOM 481 O HIS A 32 -3.509 -0.053 -3.765 1.00 0.00 O ATOM 482 CB HIS A 32 -4.802 1.789 -5.797 1.00 0.00 C ATOM 483 CG HIS A 32 -4.919 3.036 -6.620 1.00 0.00 C ATOM 484 ND1 HIS A 32 -4.268 3.208 -7.824 1.00 0.00 N ATOM 485 CD2 HIS A 32 -5.619 4.176 -6.406 1.00 0.00 C ATOM 486 CE1 HIS A 32 -4.563 4.400 -8.314 1.00 0.00 C ATOM 487 NE2 HIS A 32 -5.380 5.005 -7.474 1.00 0.00 N ATOM 0 H HIS A 32 -2.558 2.580 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.328 2.651 -3.908 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.007 1.166 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.728 1.220 -5.881 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.247 4.392 -5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.197 4.809 -9.244 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.771 5.939 -7.598 1.00 0.00 H new ATOM 496 N LEU A 33 -5.398 0.500 -2.660 1.00 0.00 N ATOM 497 CA LEU A 33 -5.412 -0.721 -1.858 1.00 0.00 C ATOM 498 C LEU A 33 -6.190 -1.821 -2.574 1.00 0.00 C ATOM 499 O LEU A 33 -7.374 -1.664 -2.883 1.00 0.00 O ATOM 500 CB LEU A 33 -6.024 -0.452 -0.477 1.00 0.00 C ATOM 501 CG LEU A 33 -5.646 -1.454 0.620 1.00 0.00 C ATOM 502 CD1 LEU A 33 -6.140 -0.968 1.973 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.214 -2.833 0.314 1.00 0.00 C ATOM 0 H LEU A 33 -6.176 1.135 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.383 -1.053 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.723 0.545 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.109 -0.441 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.559 -1.532 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.864 -1.690 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.686 -0.004 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.224 -0.862 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.932 -3.526 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.301 -2.774 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.816 -3.188 -0.637 1.00 0.00 H new ATOM 515 N ILE A 34 -5.507 -2.933 -2.829 1.00 0.00 N ATOM 516 CA ILE A 34 -6.095 -4.065 -3.540 1.00 0.00 C ATOM 517 C ILE A 34 -6.688 -5.099 -2.581 1.00 0.00 C ATOM 518 O ILE A 34 -7.823 -5.543 -2.769 1.00 0.00 O ATOM 519 CB ILE A 34 -5.044 -4.749 -4.447 1.00 0.00 C ATOM 520 CG1 ILE A 34 -4.393 -3.723 -5.385 1.00 0.00 C ATOM 521 CG2 ILE A 34 -5.671 -5.883 -5.248 1.00 0.00 C ATOM 522 CD1 ILE A 34 -5.374 -3.006 -6.290 1.00 0.00 C ATOM 0 H ILE A 34 -4.536 -3.075 -2.551 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.903 -3.666 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.270 -5.174 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.861 -2.984 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.650 -4.229 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.912 -6.347 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.081 -6.627 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.470 -5.487 -5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.836 -2.299 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.889 -3.734 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.103 -2.469 -5.683 1.00 0.00 H new ATOM 534 N SER A 35 -5.924 -5.480 -1.554 1.00 0.00 N ATOM 535 CA SER A 35 -6.385 -6.477 -0.586 1.00 0.00 C ATOM 536 C SER A 35 -5.808 -6.223 0.805 1.00 0.00 C ATOM 537 O SER A 35 -4.587 -6.211 0.982 1.00 0.00 O ATOM 538 CB SER A 35 -5.979 -7.878 -1.054 1.00 0.00 C ATOM 539 OG SER A 35 -6.705 -8.265 -2.209 1.00 0.00 O ATOM 0 H SER A 35 -4.989 -5.115 -1.372 1.00 0.00 H new ATOM 0 HA SER A 35 -7.470 -6.401 -0.523 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.911 -7.896 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.155 -8.597 -0.253 1.00 0.00 H new ATOM 0 HG SER A 35 -6.424 -9.162 -2.486 1.00 0.00 H new ATOM 545 N LYS A 36 -6.685 -6.019 1.796 1.00 0.00 N ATOM 546 CA LYS A 36 -6.233 -5.781 3.168 1.00 0.00 C ATOM 547 C LYS A 36 -5.763 -7.091 3.818 1.00 0.00 C ATOM 548 O LYS A 36 -5.029 -7.068 4.808 1.00 0.00 O ATOM 549 CB LYS A 36 -7.336 -5.131 4.013 1.00 0.00 C ATOM 550 CG LYS A 36 -7.697 -3.712 3.595 1.00 0.00 C ATOM 551 CD LYS A 36 -9.049 -3.302 4.163 1.00 0.00 C ATOM 552 CE LYS A 36 -9.446 -1.894 3.741 1.00 0.00 C ATOM 553 NZ LYS A 36 -8.652 -0.850 4.448 1.00 0.00 N ATOM 0 H LYS A 36 -7.698 -6.014 1.674 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.391 -5.091 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.231 -5.751 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.019 -5.120 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.929 -3.021 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.720 -3.644 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.810 -4.008 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.016 -3.358 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.308 -1.786 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.506 -1.741 3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.382 -0.104 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.224 -0.437 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.795 -1.279 4.851 1.00 0.00 H new ATOM 567 N GLU A 37 -6.188 -8.230 3.253 1.00 0.00 N ATOM 568 CA GLU A 37 -5.793 -9.543 3.756 1.00 0.00 C ATOM 569 C GLU A 37 -5.000 -10.297 2.688 1.00 0.00 C ATOM 570 O GLU A 37 -5.574 -10.760 1.699 1.00 0.00 O ATOM 571 CB GLU A 37 -7.010 -10.356 4.210 1.00 0.00 C ATOM 572 CG GLU A 37 -6.643 -11.635 4.952 1.00 0.00 C ATOM 573 CD GLU A 37 -5.721 -11.383 6.132 1.00 0.00 C ATOM 574 OE1 GLU A 37 -6.229 -11.048 7.223 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.489 -11.517 5.964 1.00 0.00 O ATOM 0 H GLU A 37 -6.808 -8.263 2.444 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.155 -9.397 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.631 -9.736 4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.613 -10.611 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.553 -12.120 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.161 -12.326 4.260 1.00 0.00 H new ATOM 582 N THR A 38 -3.688 -10.416 2.882 1.00 0.00 N ATOM 583 CA THR A 38 -2.836 -11.115 1.917 1.00 0.00 C ATOM 584 C THR A 38 -2.323 -12.460 2.455 1.00 0.00 C ATOM 585 O THR A 38 -1.492 -13.111 1.816 1.00 0.00 O ATOM 586 CB THR A 38 -1.629 -10.241 1.513 1.00 0.00 C ATOM 587 OG1 THR A 38 -0.761 -10.046 2.637 1.00 0.00 O ATOM 588 CG2 THR A 38 -2.092 -8.888 0.990 1.00 0.00 C ATOM 0 H THR A 38 -3.193 -10.041 3.691 1.00 0.00 H new ATOM 0 HA THR A 38 -3.459 -11.311 1.045 1.00 0.00 H new ATOM 0 HB THR A 38 -1.087 -10.758 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.002 -9.492 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.225 -8.289 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.728 -9.034 0.117 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.655 -8.371 1.767 1.00 0.00 H new ATOM 596 N GLY A 39 -2.821 -12.871 3.625 1.00 0.00 N ATOM 597 CA GLY A 39 -2.387 -14.122 4.229 1.00 0.00 C ATOM 598 C GLY A 39 -1.417 -13.894 5.383 1.00 0.00 C ATOM 599 O GLY A 39 -0.940 -14.845 6.004 1.00 0.00 O ATOM 0 H GLY A 39 -3.518 -12.357 4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.257 -14.671 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.909 -14.744 3.472 1.00 0.00 H new ATOM 603 N GLU A 40 -1.138 -12.615 5.661 1.00 0.00 N ATOM 604 CA GLU A 40 -0.254 -12.206 6.745 1.00 0.00 C ATOM 605 C GLU A 40 -0.895 -11.030 7.471 1.00 0.00 C ATOM 606 O GLU A 40 -1.418 -10.112 6.834 1.00 0.00 O ATOM 607 CB GLU A 40 1.119 -11.793 6.208 1.00 0.00 C ATOM 608 CG GLU A 40 1.818 -12.872 5.399 1.00 0.00 C ATOM 609 CD GLU A 40 3.189 -12.435 4.919 1.00 0.00 C ATOM 610 OE1 GLU A 40 3.257 -11.652 3.948 1.00 0.00 O ATOM 611 OE2 GLU A 40 4.194 -12.871 5.518 1.00 0.00 O ATOM 0 H GLU A 40 -1.525 -11.833 5.133 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.110 -13.045 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.002 -10.906 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.756 -11.513 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.918 -13.771 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.202 -13.135 4.539 1.00 0.00 H new ATOM 618 N ALA A 41 -0.853 -11.057 8.799 1.00 0.00 N ATOM 619 CA ALA A 41 -1.444 -9.985 9.592 1.00 0.00 C ATOM 620 C ALA A 41 -0.623 -8.704 9.479 1.00 0.00 C ATOM 621 O ALA A 41 0.607 -8.735 9.569 1.00 0.00 O ATOM 622 CB ALA A 41 -1.582 -10.401 11.049 1.00 0.00 C ATOM 0 H ALA A 41 -0.420 -11.802 9.345 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.440 -9.788 9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.025 -9.585 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.222 -11.281 11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.598 -10.636 11.455 1.00 0.00 H new ATOM 628 N GLY A 42 -1.311 -7.580 9.280 1.00 0.00 N ATOM 629 CA GLY A 42 -0.634 -6.300 9.165 1.00 0.00 C ATOM 630 C GLY A 42 -0.070 -6.008 7.779 1.00 0.00 C ATOM 631 O GLY A 42 0.440 -4.909 7.550 1.00 0.00 O ATOM 0 H GLY A 42 -2.327 -7.535 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.333 -5.508 9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.180 -6.267 9.889 1.00 0.00 H new ATOM 635 N TRP A 43 -0.153 -6.963 6.846 1.00 0.00 N ATOM 636 CA TRP A 43 0.379 -6.746 5.502 1.00 0.00 C ATOM 637 C TRP A 43 -0.721 -6.328 4.533 1.00 0.00 C ATOM 638 O TRP A 43 -1.792 -6.937 4.492 1.00 0.00 O ATOM 639 CB TRP A 43 1.087 -7.999 4.979 1.00 0.00 C ATOM 640 CG TRP A 43 2.413 -8.252 5.627 1.00 0.00 C ATOM 641 CD1 TRP A 43 2.633 -8.805 6.855 1.00 0.00 C ATOM 642 CD2 TRP A 43 3.705 -7.962 5.080 1.00 0.00 C ATOM 643 NE1 TRP A 43 3.981 -8.877 7.106 1.00 0.00 N ATOM 644 CE2 TRP A 43 4.660 -8.365 6.030 1.00 0.00 C ATOM 645 CE3 TRP A 43 4.146 -7.400 3.878 1.00 0.00 C ATOM 646 CZ2 TRP A 43 6.030 -8.225 5.816 1.00 0.00 C ATOM 647 CZ3 TRP A 43 5.505 -7.261 3.666 1.00 0.00 C ATOM 648 CH2 TRP A 43 6.433 -7.673 4.630 1.00 0.00 C ATOM 0 H TRP A 43 -0.577 -7.879 6.996 1.00 0.00 H new ATOM 0 HA TRP A 43 1.107 -5.937 5.569 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.443 -8.864 5.139 1.00 0.00 H new ATOM 0 HB3 TRP A 43 1.230 -7.903 3.903 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.859 -9.138 7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.408 -9.250 7.954 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.437 -7.080 3.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.748 -8.541 6.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.857 -6.827 2.741 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.488 -7.553 4.434 1.00 0.00 H new ATOM 659 N TRP A 44 -0.436 -5.289 3.748 1.00 0.00 N ATOM 660 CA TRP A 44 -1.386 -4.772 2.767 1.00 0.00 C ATOM 661 C TRP A 44 -0.808 -4.850 1.361 1.00 0.00 C ATOM 662 O TRP A 44 0.400 -4.706 1.164 1.00 0.00 O ATOM 663 CB TRP A 44 -1.773 -3.324 3.086 1.00 0.00 C ATOM 664 CG TRP A 44 -2.905 -3.192 4.056 1.00 0.00 C ATOM 665 CD1 TRP A 44 -3.482 -4.187 4.789 1.00 0.00 C ATOM 666 CD2 TRP A 44 -3.601 -1.987 4.396 1.00 0.00 C ATOM 667 NE1 TRP A 44 -4.496 -3.677 5.559 1.00 0.00 N ATOM 668 CE2 TRP A 44 -4.589 -2.330 5.336 1.00 0.00 C ATOM 669 CE3 TRP A 44 -3.485 -0.651 3.995 1.00 0.00 C ATOM 670 CZ2 TRP A 44 -5.456 -1.390 5.882 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -4.349 0.283 4.540 1.00 0.00 C ATOM 672 CH2 TRP A 44 -5.323 -0.092 5.475 1.00 0.00 C ATOM 0 H TRP A 44 0.452 -4.787 3.774 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.281 -5.393 2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.902 -2.807 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.043 -2.819 2.159 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.184 -5.225 4.766 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.085 -4.215 6.195 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.737 -0.355 3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.208 -1.676 6.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.271 1.318 4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.982 0.660 5.882 1.00 0.00 H new ATOM 683 N LYS A 45 -1.690 -5.063 0.388 1.00 0.00 N ATOM 684 CA LYS A 45 -1.283 -5.161 -1.006 1.00 0.00 C ATOM 685 C LYS A 45 -1.861 -3.997 -1.802 1.00 0.00 C ATOM 686 O LYS A 45 -3.061 -3.727 -1.736 1.00 0.00 O ATOM 687 CB LYS A 45 -1.737 -6.492 -1.619 1.00 0.00 C ATOM 688 CG LYS A 45 -1.350 -6.646 -3.084 1.00 0.00 C ATOM 689 CD LYS A 45 -1.943 -7.903 -3.702 1.00 0.00 C ATOM 690 CE LYS A 45 -1.730 -7.929 -5.209 1.00 0.00 C ATOM 691 NZ LYS A 45 -2.383 -9.106 -5.846 1.00 0.00 N ATOM 0 H LYS A 45 -2.692 -5.171 0.542 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.195 -5.119 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.304 -7.313 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.820 -6.576 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.689 -5.773 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.264 -6.677 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.485 -8.784 -3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.009 -7.951 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.127 -7.013 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.661 -7.947 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.213 -9.084 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.986 -9.981 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.407 -9.076 -5.664 1.00 0.00 H new ATOM 705 N GLY A 46 -1.002 -3.315 -2.553 1.00 0.00 N ATOM 706 CA GLY A 46 -1.447 -2.189 -3.354 1.00 0.00 C ATOM 707 C GLY A 46 -0.761 -2.135 -4.704 1.00 0.00 C ATOM 708 O GLY A 46 0.152 -2.918 -4.975 1.00 0.00 O ATOM 0 H GLY A 46 -0.006 -3.522 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.525 -2.253 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.253 -1.263 -2.813 1.00 0.00 H new ATOM 712 N GLU A 47 -1.202 -1.211 -5.555 1.00 0.00 N ATOM 713 CA GLU A 47 -0.621 -1.062 -6.884 1.00 0.00 C ATOM 714 C GLU A 47 -0.087 0.351 -7.090 1.00 0.00 C ATOM 715 O GLU A 47 -0.756 1.341 -6.787 1.00 0.00 O ATOM 716 CB GLU A 47 -1.643 -1.419 -7.964 1.00 0.00 C ATOM 717 CG GLU A 47 -1.185 -2.551 -8.872 1.00 0.00 C ATOM 718 CD GLU A 47 -2.292 -3.542 -9.179 1.00 0.00 C ATOM 719 OE1 GLU A 47 -2.588 -4.389 -8.310 1.00 0.00 O ATOM 720 OE2 GLU A 47 -2.860 -3.474 -10.289 1.00 0.00 O ATOM 0 H GLU A 47 -1.957 -0.557 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 47 0.217 -1.754 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.582 -1.701 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.846 -0.536 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.809 -2.132 -9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.354 -3.076 -8.400 1.00 0.00 H new ATOM 727 N LEU A 48 1.134 0.418 -7.610 1.00 0.00 N ATOM 728 CA LEU A 48 1.814 1.678 -7.882 1.00 0.00 C ATOM 729 C LEU A 48 2.657 1.550 -9.145 1.00 0.00 C ATOM 730 O LEU A 48 3.617 0.776 -9.180 1.00 0.00 O ATOM 731 CB LEU A 48 2.709 2.055 -6.697 1.00 0.00 C ATOM 732 CG LEU A 48 3.467 3.380 -6.840 1.00 0.00 C ATOM 733 CD1 LEU A 48 3.689 4.019 -5.477 1.00 0.00 C ATOM 734 CD2 LEU A 48 4.800 3.161 -7.543 1.00 0.00 C ATOM 0 H LEU A 48 1.683 -0.406 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 48 1.068 2.459 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.093 2.104 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.434 1.256 -6.543 1.00 0.00 H new ATOM 0 HG LEU A 48 2.862 4.055 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.228 4.958 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.726 4.212 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.272 3.345 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.323 4.113 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.408 2.467 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.624 2.746 -8.535 1.00 0.00 H new ATOM 746 N ASN A 49 2.279 2.290 -10.187 1.00 0.00 N ATOM 747 CA ASN A 49 2.998 2.242 -11.458 1.00 0.00 C ATOM 748 C ASN A 49 2.898 0.846 -12.079 1.00 0.00 C ATOM 749 O ASN A 49 3.899 0.271 -12.514 1.00 0.00 O ATOM 750 CB ASN A 49 4.468 2.653 -11.282 1.00 0.00 C ATOM 751 CG ASN A 49 4.631 4.120 -10.916 1.00 0.00 C ATOM 752 OD1 ASN A 49 3.794 4.956 -11.258 1.00 0.00 O ATOM 753 ND2 ASN A 49 5.719 4.443 -10.222 1.00 0.00 N ATOM 0 H ASN A 49 1.482 2.927 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 49 2.531 2.957 -12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.922 2.037 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.010 2.452 -12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.884 5.413 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.389 3.720 -9.958 1.00 0.00 H new ATOM 760 N GLY A 50 1.667 0.308 -12.120 1.00 0.00 N ATOM 761 CA GLY A 50 1.424 -1.001 -12.707 1.00 0.00 C ATOM 762 C GLY A 50 2.050 -2.175 -11.968 1.00 0.00 C ATOM 763 O GLY A 50 2.039 -3.291 -12.492 1.00 0.00 O ATOM 0 H GLY A 50 0.833 0.766 -11.752 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.347 -1.161 -12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.799 -0.997 -13.731 1.00 0.00 H new ATOM 767 N LYS A 51 2.592 -1.961 -10.762 1.00 0.00 N ATOM 768 CA LYS A 51 3.207 -3.045 -10.002 1.00 0.00 C ATOM 769 C LYS A 51 2.428 -3.320 -8.714 1.00 0.00 C ATOM 770 O LYS A 51 2.017 -2.391 -8.018 1.00 0.00 O ATOM 771 CB LYS A 51 4.662 -2.694 -9.669 1.00 0.00 C ATOM 772 CG LYS A 51 5.657 -3.141 -10.733 1.00 0.00 C ATOM 773 CD LYS A 51 5.471 -2.380 -12.039 1.00 0.00 C ATOM 774 CE LYS A 51 6.270 -3.003 -13.175 1.00 0.00 C ATOM 775 NZ LYS A 51 5.724 -4.328 -13.586 1.00 0.00 N ATOM 0 H LYS A 51 2.615 -1.053 -10.299 1.00 0.00 H new ATOM 0 HA LYS A 51 3.186 -3.946 -10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.745 -1.615 -9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.929 -3.154 -8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.673 -2.991 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.539 -4.209 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.414 -2.365 -12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.780 -1.344 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.267 -2.329 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.308 -3.120 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.124 -4.598 -14.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.978 -5.044 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.689 -4.268 -13.662 1.00 0.00 H new ATOM 789 N GLU A 52 2.239 -4.602 -8.405 1.00 0.00 N ATOM 790 CA GLU A 52 1.513 -5.020 -7.200 1.00 0.00 C ATOM 791 C GLU A 52 2.474 -5.610 -6.168 1.00 0.00 C ATOM 792 O GLU A 52 3.434 -6.291 -6.536 1.00 0.00 O ATOM 793 CB GLU A 52 0.434 -6.067 -7.537 1.00 0.00 C ATOM 794 CG GLU A 52 0.637 -6.802 -8.857 1.00 0.00 C ATOM 795 CD GLU A 52 -0.017 -6.091 -10.031 1.00 0.00 C ATOM 796 OE1 GLU A 52 -1.205 -6.364 -10.301 1.00 0.00 O ATOM 797 OE2 GLU A 52 0.657 -5.263 -10.679 1.00 0.00 O ATOM 0 H GLU A 52 2.580 -5.376 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 52 1.033 -4.134 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.398 -6.801 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.537 -5.571 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.705 -6.906 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.228 -7.809 -8.774 1.00 0.00 H new ATOM 804 N GLY A 53 2.220 -5.358 -4.881 1.00 0.00 N ATOM 805 CA GLY A 53 3.089 -5.900 -3.845 1.00 0.00 C ATOM 806 C GLY A 53 2.556 -5.710 -2.433 1.00 0.00 C ATOM 807 O GLY A 53 1.637 -4.919 -2.209 1.00 0.00 O ATOM 0 H GLY A 53 1.439 -4.796 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.236 -6.965 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.068 -5.426 -3.920 1.00 0.00 H new ATOM 811 N VAL A 54 3.152 -6.431 -1.477 1.00 0.00 N ATOM 812 CA VAL A 54 2.727 -6.377 -0.072 1.00 0.00 C ATOM 813 C VAL A 54 3.633 -5.449 0.730 1.00 0.00 C ATOM 814 O VAL A 54 4.740 -5.119 0.297 1.00 0.00 O ATOM 815 CB VAL A 54 2.723 -7.783 0.573 1.00 0.00 C ATOM 816 CG1 VAL A 54 1.768 -8.702 -0.173 1.00 0.00 C ATOM 817 CG2 VAL A 54 4.129 -8.377 0.607 1.00 0.00 C ATOM 0 H VAL A 54 3.934 -7.062 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 54 1.709 -5.987 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 54 2.379 -7.685 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.775 -9.688 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.760 -8.289 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.084 -8.788 -1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.095 -9.365 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.513 -8.462 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.784 -7.729 1.189 1.00 0.00 H new ATOM 827 N PHE A 55 3.151 -5.054 1.919 1.00 0.00 N ATOM 828 CA PHE A 55 3.898 -4.137 2.782 1.00 0.00 C ATOM 829 C PHE A 55 3.090 -3.634 3.984 1.00 0.00 C ATOM 830 O PHE A 55 1.890 -3.380 3.876 1.00 0.00 O ATOM 831 CB PHE A 55 4.341 -2.910 1.970 1.00 0.00 C ATOM 832 CG PHE A 55 3.191 -2.067 1.472 1.00 0.00 C ATOM 833 CD1 PHE A 55 2.615 -1.099 2.284 1.00 0.00 C ATOM 834 CD2 PHE A 55 2.683 -2.246 0.193 1.00 0.00 C ATOM 835 CE1 PHE A 55 1.561 -0.330 1.831 1.00 0.00 C ATOM 836 CE2 PHE A 55 1.628 -1.478 -0.264 1.00 0.00 C ATOM 837 CZ PHE A 55 1.067 -0.519 0.557 1.00 0.00 C ATOM 0 H PHE A 55 2.254 -5.355 2.299 1.00 0.00 H new ATOM 0 HA PHE A 55 4.748 -4.705 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.993 -2.292 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.932 -3.243 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.996 -0.945 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.117 -2.994 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.124 0.419 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.243 -1.628 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.243 0.082 0.202 1.00 0.00 H new ATOM 847 N PRO A 56 3.751 -3.515 5.161 1.00 0.00 N ATOM 848 CA PRO A 56 3.151 -2.938 6.365 1.00 0.00 C ATOM 849 C PRO A 56 2.548 -1.575 6.064 1.00 0.00 C ATOM 850 O PRO A 56 3.239 -0.616 5.717 1.00 0.00 O ATOM 851 CB PRO A 56 4.329 -2.792 7.348 1.00 0.00 C ATOM 852 CG PRO A 56 5.559 -3.090 6.559 1.00 0.00 C ATOM 853 CD PRO A 56 5.128 -3.952 5.407 1.00 0.00 C ATOM 0 HA PRO A 56 2.346 -3.556 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.367 -1.786 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.226 -3.481 8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.024 -2.171 6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.299 -3.604 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.761 -3.802 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.176 -5.012 5.657 1.00 0.00 H new ATOM 861 N ASP A 57 1.216 -1.544 6.180 1.00 0.00 N ATOM 862 CA ASP A 57 0.390 -0.362 5.922 1.00 0.00 C ATOM 863 C ASP A 57 0.642 0.829 6.862 1.00 0.00 C ATOM 864 O ASP A 57 -0.146 1.776 6.858 1.00 0.00 O ATOM 865 CB ASP A 57 -1.093 -0.770 6.034 1.00 0.00 C ATOM 866 CG ASP A 57 -1.517 -1.180 7.434 1.00 0.00 C ATOM 867 OD1 ASP A 57 -1.386 -2.377 7.769 1.00 0.00 O ATOM 868 OD2 ASP A 57 -2.000 -0.308 8.187 1.00 0.00 O ATOM 0 H ASP A 57 0.671 -2.359 6.462 1.00 0.00 H new ATOM 0 HA ASP A 57 0.661 -0.017 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.714 0.064 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.284 -1.597 5.351 1.00 0.00 H new ATOM 873 N ASN A 58 1.722 0.816 7.660 1.00 0.00 N ATOM 874 CA ASN A 58 1.970 1.900 8.612 1.00 0.00 C ATOM 875 C ASN A 58 2.617 3.125 7.955 1.00 0.00 C ATOM 876 O ASN A 58 2.706 4.183 8.580 1.00 0.00 O ATOM 877 CB ASN A 58 2.843 1.400 9.771 1.00 0.00 C ATOM 878 CG ASN A 58 2.139 0.350 10.615 1.00 0.00 C ATOM 879 OD1 ASN A 58 2.249 -0.848 10.352 1.00 0.00 O ATOM 880 ND2 ASN A 58 1.408 0.793 11.635 1.00 0.00 N ATOM 0 H ASN A 58 2.425 0.077 7.663 1.00 0.00 H new ATOM 0 HA ASN A 58 0.999 2.216 8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.767 0.982 9.372 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.121 2.243 10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.913 0.131 12.233 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.343 1.794 11.819 1.00 0.00 H new ATOM 887 N PHE A 59 3.057 2.996 6.699 1.00 0.00 N ATOM 888 CA PHE A 59 3.674 4.121 5.992 1.00 0.00 C ATOM 889 C PHE A 59 2.630 4.918 5.202 1.00 0.00 C ATOM 890 O PHE A 59 2.982 5.812 4.432 1.00 0.00 O ATOM 891 CB PHE A 59 4.779 3.637 5.047 1.00 0.00 C ATOM 892 CG PHE A 59 5.932 2.985 5.752 1.00 0.00 C ATOM 893 CD1 PHE A 59 5.817 1.697 6.245 1.00 0.00 C ATOM 894 CD2 PHE A 59 7.131 3.661 5.924 1.00 0.00 C ATOM 895 CE1 PHE A 59 6.872 1.092 6.896 1.00 0.00 C ATOM 896 CE2 PHE A 59 8.191 3.061 6.575 1.00 0.00 C ATOM 897 CZ PHE A 59 8.062 1.775 7.062 1.00 0.00 C ATOM 0 H PHE A 59 2.998 2.134 6.157 1.00 0.00 H new ATOM 0 HA PHE A 59 4.116 4.774 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.353 2.930 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.149 4.485 4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.889 1.159 6.118 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.237 4.667 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.768 0.086 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.120 3.597 6.703 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.890 1.304 7.572 1.00 0.00 H new ATOM 907 N ALA A 60 1.346 4.590 5.396 1.00 0.00 N ATOM 908 CA ALA A 60 0.258 5.277 4.710 1.00 0.00 C ATOM 909 C ALA A 60 -0.989 5.333 5.596 1.00 0.00 C ATOM 910 O ALA A 60 -1.154 4.513 6.503 1.00 0.00 O ATOM 911 CB ALA A 60 -0.048 4.589 3.384 1.00 0.00 C ATOM 0 H ALA A 60 1.040 3.849 6.027 1.00 0.00 H new ATOM 0 HA ALA A 60 0.569 6.301 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.862 5.112 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.839 4.607 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.340 3.555 3.569 1.00 0.00 H new ATOM 917 N VAL A 61 -1.862 6.302 5.327 1.00 0.00 N ATOM 918 CA VAL A 61 -3.099 6.469 6.089 1.00 0.00 C ATOM 919 C VAL A 61 -4.308 6.281 5.173 1.00 0.00 C ATOM 920 O VAL A 61 -4.405 6.908 4.117 1.00 0.00 O ATOM 921 CB VAL A 61 -3.166 7.854 6.780 1.00 0.00 C ATOM 922 CG1 VAL A 61 -3.131 8.984 5.758 1.00 0.00 C ATOM 923 CG2 VAL A 61 -4.409 7.959 7.655 1.00 0.00 C ATOM 0 H VAL A 61 -1.735 6.987 4.582 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.112 5.709 6.870 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.287 7.952 7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.180 9.943 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.206 8.927 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.982 8.891 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.437 8.939 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.299 7.829 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.381 7.184 8.421 1.00 0.00 H new ATOM 933 N GLN A 62 -5.227 5.411 5.589 1.00 0.00 N ATOM 934 CA GLN A 62 -6.450 5.151 4.832 1.00 0.00 C ATOM 935 C GLN A 62 -7.486 6.240 5.114 1.00 0.00 C ATOM 936 O GLN A 62 -7.703 6.611 6.270 1.00 0.00 O ATOM 937 CB GLN A 62 -7.023 3.781 5.210 1.00 0.00 C ATOM 938 CG GLN A 62 -8.224 3.362 4.377 1.00 0.00 C ATOM 939 CD GLN A 62 -7.829 2.639 3.104 1.00 0.00 C ATOM 940 OE1 GLN A 62 -7.664 1.420 3.096 1.00 0.00 O ATOM 941 NE2 GLN A 62 -7.680 3.385 2.017 1.00 0.00 N ATOM 0 H GLN A 62 -5.147 4.872 6.451 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.210 5.156 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.240 3.030 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.310 3.796 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.867 2.714 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.810 4.245 4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.826 4.393 2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.419 2.950 1.132 1.00 0.00 H new ATOM 950 N ILE A 63 -8.125 6.750 4.055 1.00 0.00 N ATOM 951 CA ILE A 63 -9.141 7.797 4.204 1.00 0.00 C ATOM 952 C ILE A 63 -10.276 7.332 5.120 1.00 0.00 C ATOM 953 O ILE A 63 -10.754 8.097 5.960 1.00 0.00 O ATOM 954 CB ILE A 63 -9.716 8.246 2.839 1.00 0.00 C ATOM 955 CG1 ILE A 63 -8.595 8.755 1.924 1.00 0.00 C ATOM 956 CG2 ILE A 63 -10.775 9.325 3.031 1.00 0.00 C ATOM 957 CD1 ILE A 63 -7.801 9.906 2.510 1.00 0.00 C ATOM 0 H ILE A 63 -7.958 6.457 3.092 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.646 8.655 4.658 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.185 7.383 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.915 7.931 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.029 9.071 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.167 9.627 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.587 8.933 3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.330 10.188 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.027 10.210 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.467 10.747 2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.337 9.589 3.444 1.00 0.00 H new ATOM 969 N SER A 64 -10.698 6.074 4.958 1.00 0.00 N ATOM 970 CA SER A 64 -11.780 5.519 5.767 1.00 0.00 C ATOM 971 C SER A 64 -11.225 4.798 6.996 1.00 0.00 C ATOM 972 O SER A 64 -10.618 3.717 6.829 1.00 0.00 O ATOM 973 CB SER A 64 -12.637 4.562 4.931 1.00 0.00 C ATOM 974 OG SER A 64 -13.745 4.087 5.676 1.00 0.00 O ATOM 975 OXT SER A 64 -11.404 5.321 8.115 1.00 0.00 O ATOM 0 H SER A 64 -10.306 5.425 4.275 1.00 0.00 H new ATOM 0 HA SER A 64 -12.407 6.343 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.989 5.073 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.029 3.720 4.600 1.00 0.00 H new ATOM 0 HG SER A 64 -14.277 3.480 5.120 1.00 0.00 H new TER 981 SER A 64