USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.35! C(o=-2.4!,f=-9.5!) USER MOD Single : A 18 THR OG1 : rot -31:sc= 0.784 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.0207 (180deg=-0.27) USER MOD Single : A 26 GLN : amide:sc= -0.485 K(o=-0.48,f=-1.5) USER MOD Single : A 35 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.43) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= -0.0577 (180deg=-0.552) USER MOD Single : A 39 SER OG : rot -159:sc= -1.59 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 60 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.17) USER MOD Single : A 61 SER OG : rot -104:sc= 0.884 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.366 K(o=0.37,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.737 34.161 -1.741 1.00 0.00 N ATOM 2 CA GLY A 1 -13.629 35.127 -1.984 1.00 0.00 C ATOM 3 C GLY A 1 -12.287 34.446 -1.705 1.00 0.00 C ATOM 4 O GLY A 1 -12.015 34.023 -0.600 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.649 34.624 -1.931 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.627 33.341 -2.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.709 33.843 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.661 35.482 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.746 36.000 -1.342 1.00 0.00 H new ATOM 10 N LYS A 2 -11.447 34.341 -2.698 1.00 0.00 N ATOM 11 CA LYS A 2 -10.122 33.692 -2.488 1.00 0.00 C ATOM 12 C LYS A 2 -9.012 34.711 -2.759 1.00 0.00 C ATOM 13 O LYS A 2 -9.266 35.888 -2.921 1.00 0.00 O ATOM 14 CB LYS A 2 -9.975 32.508 -3.447 1.00 0.00 C ATOM 15 CG LYS A 2 -11.202 31.603 -3.329 1.00 0.00 C ATOM 16 CD LYS A 2 -10.965 30.562 -2.232 1.00 0.00 C ATOM 17 CE LYS A 2 -11.779 29.302 -2.539 1.00 0.00 C ATOM 18 NZ LYS A 2 -10.926 28.097 -2.334 1.00 0.00 N ATOM 0 H LYS A 2 -11.621 34.676 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.048 33.336 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.871 32.866 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.071 31.946 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.085 32.198 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.394 31.107 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.905 30.317 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.254 30.967 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.655 29.255 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.143 29.333 -3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.479 27.241 -2.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.104 28.142 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.600 28.067 -1.347 1.00 0.00 H new ATOM 32 N GLU A 3 -7.785 34.271 -2.810 1.00 0.00 N ATOM 33 CA GLU A 3 -6.669 35.224 -3.070 1.00 0.00 C ATOM 34 C GLU A 3 -5.349 34.465 -3.183 1.00 0.00 C ATOM 35 O GLU A 3 -4.503 34.789 -3.991 1.00 0.00 O ATOM 36 CB GLU A 3 -6.585 36.234 -1.924 1.00 0.00 C ATOM 37 CG GLU A 3 -6.554 35.489 -0.587 1.00 0.00 C ATOM 38 CD GLU A 3 -7.449 36.210 0.423 1.00 0.00 C ATOM 39 OE1 GLU A 3 -8.629 36.348 0.147 1.00 0.00 O ATOM 40 OE2 GLU A 3 -6.939 36.612 1.456 1.00 0.00 O ATOM 0 H GLU A 3 -7.507 33.298 -2.684 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.857 35.749 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.691 36.848 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.440 36.909 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.895 34.463 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.532 35.438 -0.211 1.00 0.00 H new ATOM 47 N CYS A 4 -5.165 33.461 -2.380 1.00 0.00 N ATOM 48 CA CYS A 4 -3.895 32.686 -2.443 1.00 0.00 C ATOM 49 C CYS A 4 -4.032 31.559 -3.467 1.00 0.00 C ATOM 50 O CYS A 4 -4.680 30.560 -3.225 1.00 0.00 O ATOM 51 CB CYS A 4 -3.579 32.089 -1.070 1.00 0.00 C ATOM 52 SG CYS A 4 -3.143 33.410 0.090 1.00 0.00 S ATOM 0 H CYS A 4 -5.837 33.141 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.086 33.353 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.441 31.535 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -2.756 31.379 -1.153 1.00 0.00 H new ATOM 57 N ASP A 5 -3.420 31.710 -4.609 1.00 0.00 N ATOM 58 CA ASP A 5 -3.505 30.649 -5.648 1.00 0.00 C ATOM 59 C ASP A 5 -2.458 29.572 -5.357 1.00 0.00 C ATOM 60 O ASP A 5 -2.564 28.450 -5.811 1.00 0.00 O ATOM 61 CB ASP A 5 -3.243 31.264 -7.025 1.00 0.00 C ATOM 62 CG ASP A 5 -4.306 30.776 -8.011 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.625 29.599 -7.973 1.00 0.00 O ATOM 64 OD2 ASP A 5 -4.784 31.587 -8.786 1.00 0.00 O ATOM 0 H ASP A 5 -2.864 32.525 -4.867 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.499 30.201 -5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.264 32.352 -6.959 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.250 30.985 -7.377 1.00 0.00 H new ATOM 69 N CYS A 6 -1.449 29.904 -4.599 1.00 0.00 N ATOM 70 CA CYS A 6 -0.398 28.899 -4.273 1.00 0.00 C ATOM 71 C CYS A 6 -0.042 28.997 -2.787 1.00 0.00 C ATOM 72 O CYS A 6 -0.435 29.923 -2.105 1.00 0.00 O ATOM 73 CB CYS A 6 0.852 29.167 -5.119 1.00 0.00 C ATOM 74 SG CYS A 6 1.692 30.656 -4.519 1.00 0.00 S ATOM 0 H CYS A 6 -1.307 30.828 -4.191 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.773 27.899 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.527 28.312 -5.068 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.574 29.292 -6.166 1.00 0.00 H new ATOM 79 N SER A 7 0.700 28.053 -2.281 1.00 0.00 N ATOM 80 CA SER A 7 1.081 28.097 -0.842 1.00 0.00 C ATOM 81 C SER A 7 2.595 27.927 -0.712 1.00 0.00 C ATOM 82 O SER A 7 3.095 27.471 0.297 1.00 0.00 O ATOM 83 CB SER A 7 0.373 26.968 -0.091 1.00 0.00 C ATOM 84 OG SER A 7 0.038 27.412 1.218 1.00 0.00 O ATOM 0 H SER A 7 1.059 27.253 -2.801 1.00 0.00 H new ATOM 0 HA SER A 7 0.785 29.056 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.527 26.668 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.019 26.091 -0.036 1.00 0.00 H new ATOM 0 HG SER A 7 -0.417 26.691 1.701 1.00 0.00 H new ATOM 90 N SER A 8 3.332 28.290 -1.729 1.00 0.00 N ATOM 91 CA SER A 8 4.814 28.149 -1.663 1.00 0.00 C ATOM 92 C SER A 8 5.450 29.536 -1.499 1.00 0.00 C ATOM 93 O SER A 8 5.181 30.429 -2.278 1.00 0.00 O ATOM 94 CB SER A 8 5.317 27.510 -2.957 1.00 0.00 C ATOM 95 OG SER A 8 6.389 26.626 -2.659 1.00 0.00 O ATOM 0 H SER A 8 2.971 28.677 -2.601 1.00 0.00 H new ATOM 0 HA SER A 8 5.086 27.521 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.508 26.967 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.649 28.281 -3.652 1.00 0.00 H new ATOM 0 HG SER A 8 6.713 26.213 -3.487 1.00 0.00 H new ATOM 101 N PRO A 9 6.276 29.680 -0.492 1.00 0.00 N ATOM 102 CA PRO A 9 6.963 30.952 -0.206 1.00 0.00 C ATOM 103 C PRO A 9 8.167 31.131 -1.138 1.00 0.00 C ATOM 104 O PRO A 9 8.949 32.049 -0.985 1.00 0.00 O ATOM 105 CB PRO A 9 7.419 30.797 1.246 1.00 0.00 C ATOM 106 CG PRO A 9 7.482 29.275 1.523 1.00 0.00 C ATOM 107 CD PRO A 9 6.601 28.595 0.458 1.00 0.00 C ATOM 0 HA PRO A 9 6.328 31.825 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.394 31.260 1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.723 31.287 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.509 28.913 1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.121 29.049 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.130 27.780 -0.035 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.700 28.169 0.899 1.00 0.00 H new ATOM 115 N GLU A 10 8.323 30.262 -2.099 1.00 0.00 N ATOM 116 CA GLU A 10 9.477 30.386 -3.032 1.00 0.00 C ATOM 117 C GLU A 10 9.010 30.105 -4.463 1.00 0.00 C ATOM 118 O GLU A 10 9.601 29.319 -5.176 1.00 0.00 O ATOM 119 CB GLU A 10 10.559 29.376 -2.643 1.00 0.00 C ATOM 120 CG GLU A 10 11.940 30.010 -2.834 1.00 0.00 C ATOM 121 CD GLU A 10 12.464 30.514 -1.488 1.00 0.00 C ATOM 122 OE1 GLU A 10 11.845 31.405 -0.930 1.00 0.00 O ATOM 123 OE2 GLU A 10 13.475 30.000 -1.039 1.00 0.00 O ATOM 0 H GLU A 10 7.702 29.473 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 10 9.883 31.396 -2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.428 29.068 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.471 28.478 -3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.631 29.280 -3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.877 30.835 -3.543 1.00 0.00 H new ATOM 130 N ASN A 11 7.954 30.742 -4.885 1.00 0.00 N ATOM 131 CA ASN A 11 7.446 30.516 -6.268 1.00 0.00 C ATOM 132 C ASN A 11 7.379 31.863 -7.005 1.00 0.00 C ATOM 133 O ASN A 11 6.800 32.806 -6.504 1.00 0.00 O ATOM 134 CB ASN A 11 6.046 29.901 -6.192 1.00 0.00 C ATOM 135 CG ASN A 11 5.950 28.710 -7.147 1.00 0.00 C ATOM 136 OD1 ASN A 11 6.677 28.632 -8.116 1.00 0.00 O ATOM 137 ND2 ASN A 11 5.078 27.769 -6.910 1.00 0.00 N ATOM 0 H ASN A 11 7.419 31.411 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 11 8.112 29.840 -6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.835 29.579 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.296 30.648 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.008 26.969 -7.539 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.467 27.833 -6.096 1.00 0.00 H new ATOM 144 N PRO A 12 7.976 31.918 -8.172 1.00 0.00 N ATOM 145 CA PRO A 12 7.999 33.145 -8.991 1.00 0.00 C ATOM 146 C PRO A 12 6.657 33.342 -9.704 1.00 0.00 C ATOM 147 O PRO A 12 6.193 34.451 -9.876 1.00 0.00 O ATOM 148 CB PRO A 12 9.121 32.884 -9.999 1.00 0.00 C ATOM 149 CG PRO A 12 9.291 31.348 -10.077 1.00 0.00 C ATOM 150 CD PRO A 12 8.681 30.773 -8.784 1.00 0.00 C ATOM 0 HA PRO A 12 8.163 34.048 -8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.869 33.297 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.048 33.361 -9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.787 30.946 -10.956 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.344 31.078 -10.162 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.996 29.953 -8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.452 30.380 -8.121 1.00 0.00 H new ATOM 158 N CYS A 13 6.033 32.275 -10.121 1.00 0.00 N ATOM 159 CA CYS A 13 4.725 32.404 -10.823 1.00 0.00 C ATOM 160 C CYS A 13 3.712 33.079 -9.897 1.00 0.00 C ATOM 161 O CYS A 13 2.932 33.911 -10.319 1.00 0.00 O ATOM 162 CB CYS A 13 4.215 31.016 -11.212 1.00 0.00 C ATOM 163 SG CYS A 13 4.528 30.733 -12.972 1.00 0.00 S ATOM 0 H CYS A 13 6.372 31.320 -10.006 1.00 0.00 H new ATOM 0 HA CYS A 13 4.854 33.008 -11.721 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.714 30.253 -10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.148 30.937 -11.004 1.00 0.00 H new ATOM 168 N CYS A 14 3.715 32.730 -8.639 1.00 0.00 N ATOM 169 CA CYS A 14 2.745 33.359 -7.702 1.00 0.00 C ATOM 170 C CYS A 14 3.485 34.140 -6.623 1.00 0.00 C ATOM 171 O CYS A 14 4.294 33.608 -5.890 1.00 0.00 O ATOM 172 CB CYS A 14 1.875 32.279 -7.057 1.00 0.00 C ATOM 173 SG CYS A 14 2.905 31.192 -6.042 1.00 0.00 S ATOM 0 H CYS A 14 4.343 32.042 -8.223 1.00 0.00 H new ATOM 0 HA CYS A 14 2.110 34.047 -8.260 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.101 32.740 -6.443 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.367 31.699 -7.828 1.00 0.00 H new ATOM 178 N ASP A 15 3.203 35.410 -6.522 1.00 0.00 N ATOM 179 CA ASP A 15 3.876 36.244 -5.490 1.00 0.00 C ATOM 180 C ASP A 15 3.547 35.689 -4.104 1.00 0.00 C ATOM 181 O ASP A 15 2.396 35.494 -3.762 1.00 0.00 O ATOM 182 CB ASP A 15 3.379 37.687 -5.596 1.00 0.00 C ATOM 183 CG ASP A 15 4.416 38.532 -6.340 1.00 0.00 C ATOM 184 OD1 ASP A 15 5.422 37.974 -6.747 1.00 0.00 O ATOM 185 OD2 ASP A 15 4.187 39.721 -6.488 1.00 0.00 O ATOM 0 H ASP A 15 2.534 35.906 -7.111 1.00 0.00 H new ATOM 0 HA ASP A 15 4.955 36.223 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.425 37.716 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.206 38.097 -4.601 1.00 0.00 H new ATOM 190 N ALA A 16 4.549 35.428 -3.307 1.00 0.00 N ATOM 191 CA ALA A 16 4.296 34.881 -1.945 1.00 0.00 C ATOM 192 C ALA A 16 3.448 35.872 -1.146 1.00 0.00 C ATOM 193 O ALA A 16 2.528 35.495 -0.447 1.00 0.00 O ATOM 194 CB ALA A 16 5.630 34.657 -1.228 1.00 0.00 C ATOM 0 H ALA A 16 5.531 35.570 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 16 3.765 33.933 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.445 34.257 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.234 33.950 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.162 35.605 -1.145 1.00 0.00 H new ATOM 200 N ALA A 17 3.748 37.139 -1.245 1.00 0.00 N ATOM 201 CA ALA A 17 2.955 38.151 -0.492 1.00 0.00 C ATOM 202 C ALA A 17 1.473 37.988 -0.832 1.00 0.00 C ATOM 203 O ALA A 17 0.663 37.669 0.015 1.00 0.00 O ATOM 204 CB ALA A 17 3.418 39.555 -0.883 1.00 0.00 C ATOM 0 H ALA A 17 4.506 37.516 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 17 3.101 38.007 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.838 40.296 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.475 39.670 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.271 39.702 -1.953 1.00 0.00 H new ATOM 210 N THR A 18 1.110 38.203 -2.068 1.00 0.00 N ATOM 211 CA THR A 18 -0.320 38.058 -2.459 1.00 0.00 C ATOM 212 C THR A 18 -0.627 36.586 -2.744 1.00 0.00 C ATOM 213 O THR A 18 -1.713 36.245 -3.167 1.00 0.00 O ATOM 214 CB THR A 18 -0.596 38.888 -3.715 1.00 0.00 C ATOM 215 OG1 THR A 18 -1.971 38.781 -4.059 1.00 0.00 O ATOM 216 CG2 THR A 18 0.262 38.372 -4.870 1.00 0.00 C ATOM 0 H THR A 18 1.742 38.472 -2.822 1.00 0.00 H new ATOM 0 HA THR A 18 -0.953 38.410 -1.645 1.00 0.00 H new ATOM 0 HB THR A 18 -0.349 39.932 -3.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.310 37.904 -3.783 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.064 38.964 -5.763 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.316 38.455 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.019 37.328 -5.066 1.00 0.00 H new ATOM 224 N CYS A 19 0.326 35.713 -2.515 1.00 0.00 N ATOM 225 CA CYS A 19 0.105 34.255 -2.766 1.00 0.00 C ATOM 226 C CYS A 19 -0.731 34.070 -4.036 1.00 0.00 C ATOM 227 O CYS A 19 -1.546 33.175 -4.129 1.00 0.00 O ATOM 228 CB CYS A 19 -0.601 33.602 -1.564 1.00 0.00 C ATOM 229 SG CYS A 19 -1.954 34.653 -0.972 1.00 0.00 S ATOM 0 H CYS A 19 1.253 35.951 -2.163 1.00 0.00 H new ATOM 0 HA CYS A 19 1.072 33.770 -2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.991 32.625 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.116 33.436 -0.760 1.00 0.00 H new ATOM 234 N LYS A 20 -0.537 34.915 -5.014 1.00 0.00 N ATOM 235 CA LYS A 20 -1.329 34.793 -6.275 1.00 0.00 C ATOM 236 C LYS A 20 -0.396 34.868 -7.486 1.00 0.00 C ATOM 237 O LYS A 20 0.724 35.330 -7.390 1.00 0.00 O ATOM 238 CB LYS A 20 -2.342 35.938 -6.344 1.00 0.00 C ATOM 239 CG LYS A 20 -3.762 35.371 -6.407 1.00 0.00 C ATOM 240 CD LYS A 20 -4.290 35.477 -7.839 1.00 0.00 C ATOM 241 CE LYS A 20 -5.556 36.337 -7.854 1.00 0.00 C ATOM 242 NZ LYS A 20 -5.215 37.729 -7.445 1.00 0.00 N ATOM 0 H LYS A 20 0.134 35.683 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.850 33.835 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.236 36.582 -5.471 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.148 36.555 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.764 34.330 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.414 35.918 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.531 35.917 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.507 34.484 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.997 36.337 -8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.300 35.919 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.915 38.388 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.223 37.798 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.269 37.974 -7.801 1.00 0.00 H new ATOM 256 N LEU A 21 -0.850 34.418 -8.628 1.00 0.00 N ATOM 257 CA LEU A 21 0.011 34.461 -9.845 1.00 0.00 C ATOM 258 C LEU A 21 -0.211 35.774 -10.595 1.00 0.00 C ATOM 259 O LEU A 21 -1.324 36.156 -10.896 1.00 0.00 O ATOM 260 CB LEU A 21 -0.324 33.280 -10.754 1.00 0.00 C ATOM 261 CG LEU A 21 -0.661 32.057 -9.900 1.00 0.00 C ATOM 262 CD1 LEU A 21 -2.164 31.783 -9.969 1.00 0.00 C ATOM 263 CD2 LEU A 21 0.102 30.841 -10.428 1.00 0.00 C ATOM 0 H LEU A 21 -1.780 34.023 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 21 1.057 34.398 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.167 33.531 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.520 33.059 -11.407 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.374 32.247 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.403 30.911 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.709 32.649 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.452 31.593 -11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.138 29.969 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.185 30.652 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.174 31.034 -10.379 1.00 0.00 H new ATOM 275 N ARG A 22 0.853 36.465 -10.894 1.00 0.00 N ATOM 276 CA ARG A 22 0.732 37.759 -11.619 1.00 0.00 C ATOM 277 C ARG A 22 0.561 37.524 -13.130 1.00 0.00 C ATOM 278 O ARG A 22 -0.272 38.155 -13.750 1.00 0.00 O ATOM 279 CB ARG A 22 1.985 38.600 -11.372 1.00 0.00 C ATOM 280 CG ARG A 22 2.402 38.480 -9.906 1.00 0.00 C ATOM 281 CD ARG A 22 3.336 39.635 -9.548 1.00 0.00 C ATOM 282 NE ARG A 22 2.691 40.929 -9.914 1.00 0.00 N ATOM 283 CZ ARG A 22 3.370 42.041 -9.844 1.00 0.00 C ATOM 284 NH1 ARG A 22 3.536 42.633 -8.693 1.00 0.00 N ATOM 285 NH2 ARG A 22 3.882 42.562 -10.926 1.00 0.00 N ATOM 0 H ARG A 22 1.807 36.187 -10.665 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.148 38.285 -11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.795 38.264 -12.020 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.790 39.643 -11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.522 38.497 -9.263 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.903 37.527 -9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.561 39.618 -8.482 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.284 39.527 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 22 1.718 40.945 -10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.135 42.226 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.067 43.502 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.751 42.100 -11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.413 43.431 -10.872 1.00 0.00 H new ATOM 299 N PRO A 23 1.352 36.635 -13.689 1.00 0.00 N ATOM 300 CA PRO A 23 1.288 36.334 -15.131 1.00 0.00 C ATOM 301 C PRO A 23 0.076 35.450 -15.444 1.00 0.00 C ATOM 302 O PRO A 23 -0.619 34.993 -14.559 1.00 0.00 O ATOM 303 CB PRO A 23 2.601 35.596 -15.407 1.00 0.00 C ATOM 304 CG PRO A 23 3.077 35.028 -14.052 1.00 0.00 C ATOM 305 CD PRO A 23 2.372 35.851 -12.957 1.00 0.00 C ATOM 0 HA PRO A 23 1.173 37.224 -15.749 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.452 34.796 -16.132 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.345 36.272 -15.827 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.825 33.971 -13.965 1.00 0.00 H new ATOM 0 HG3 PRO A 23 4.160 35.106 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.915 35.206 -12.207 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.074 36.501 -12.434 1.00 0.00 H new ATOM 313 N GLY A 24 -0.184 35.217 -16.701 1.00 0.00 N ATOM 314 CA GLY A 24 -1.355 34.375 -17.079 1.00 0.00 C ATOM 315 C GLY A 24 -1.123 32.929 -16.634 1.00 0.00 C ATOM 316 O GLY A 24 -1.101 32.018 -17.437 1.00 0.00 O ATOM 0 H GLY A 24 0.364 35.574 -17.484 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.260 34.767 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.508 34.413 -18.158 1.00 0.00 H new ATOM 320 N ALA A 25 -0.956 32.709 -15.358 1.00 0.00 N ATOM 321 CA ALA A 25 -0.734 31.319 -14.867 1.00 0.00 C ATOM 322 C ALA A 25 -2.027 30.794 -14.239 1.00 0.00 C ATOM 323 O ALA A 25 -3.025 31.484 -14.181 1.00 0.00 O ATOM 324 CB ALA A 25 0.382 31.317 -13.821 1.00 0.00 C ATOM 0 H ALA A 25 -0.964 33.430 -14.636 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.446 30.678 -15.700 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.543 30.300 -13.463 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.301 31.694 -14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.098 31.955 -12.985 1.00 0.00 H new ATOM 330 N GLN A 26 -2.019 29.576 -13.768 1.00 0.00 N ATOM 331 CA GLN A 26 -3.249 29.009 -13.145 1.00 0.00 C ATOM 332 C GLN A 26 -2.986 28.729 -11.666 1.00 0.00 C ATOM 333 O GLN A 26 -3.682 29.213 -10.796 1.00 0.00 O ATOM 334 CB GLN A 26 -3.621 27.703 -13.850 1.00 0.00 C ATOM 335 CG GLN A 26 -4.622 27.989 -14.969 1.00 0.00 C ATOM 336 CD GLN A 26 -4.260 27.157 -16.200 1.00 0.00 C ATOM 337 OE1 GLN A 26 -3.128 27.161 -16.640 1.00 0.00 O ATOM 338 NE2 GLN A 26 -5.183 26.437 -16.780 1.00 0.00 N ATOM 0 H GLN A 26 -1.214 28.950 -13.788 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.068 29.722 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.727 27.232 -14.260 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.051 27.002 -13.135 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.632 27.748 -14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.612 29.050 -15.218 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.134 26.433 -16.411 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.953 25.879 -17.602 1.00 0.00 H new ATOM 347 N CYS A 27 -1.982 27.949 -11.374 1.00 0.00 N ATOM 348 CA CYS A 27 -1.668 27.636 -9.955 1.00 0.00 C ATOM 349 C CYS A 27 -0.146 27.519 -9.801 1.00 0.00 C ATOM 350 O CYS A 27 0.530 26.944 -10.629 1.00 0.00 O ATOM 351 CB CYS A 27 -2.414 26.343 -9.547 1.00 0.00 C ATOM 352 SG CYS A 27 -1.278 25.018 -9.088 1.00 0.00 S ATOM 0 H CYS A 27 -1.365 27.515 -12.060 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.006 28.429 -9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.078 26.557 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.042 26.011 -10.374 1.00 0.00 H new ATOM 357 N GLY A 28 0.393 28.081 -8.754 1.00 0.00 N ATOM 358 CA GLY A 28 1.867 28.025 -8.552 1.00 0.00 C ATOM 359 C GLY A 28 2.257 26.724 -7.845 1.00 0.00 C ATOM 360 O GLY A 28 3.349 26.221 -8.020 1.00 0.00 O ATOM 0 H GLY A 28 -0.125 28.577 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.376 28.091 -9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.193 28.880 -7.960 1.00 0.00 H new ATOM 364 N GLU A 29 1.384 26.178 -7.043 1.00 0.00 N ATOM 365 CA GLU A 29 1.728 24.915 -6.329 1.00 0.00 C ATOM 366 C GLU A 29 0.586 23.905 -6.470 1.00 0.00 C ATOM 367 O GLU A 29 -0.570 24.265 -6.560 1.00 0.00 O ATOM 368 CB GLU A 29 1.960 25.213 -4.847 1.00 0.00 C ATOM 369 CG GLU A 29 2.705 24.041 -4.203 1.00 0.00 C ATOM 370 CD GLU A 29 2.182 23.824 -2.782 1.00 0.00 C ATOM 371 OE1 GLU A 29 0.989 23.615 -2.636 1.00 0.00 O ATOM 372 OE2 GLU A 29 2.984 23.870 -1.864 1.00 0.00 O ATOM 0 H GLU A 29 0.453 26.549 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 29 2.634 24.495 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.537 26.131 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.007 25.373 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.565 23.137 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.776 24.245 -4.181 1.00 0.00 H new ATOM 379 N GLY A 30 0.908 22.640 -6.488 1.00 0.00 N ATOM 380 CA GLY A 30 -0.148 21.599 -6.623 1.00 0.00 C ATOM 381 C GLY A 30 0.439 20.374 -7.325 1.00 0.00 C ATOM 382 O GLY A 30 1.126 20.488 -8.321 1.00 0.00 O ATOM 0 H GLY A 30 1.861 22.283 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.529 21.322 -5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.990 21.991 -7.193 1.00 0.00 H new ATOM 386 N LEU A 31 0.176 19.202 -6.815 1.00 0.00 N ATOM 387 CA LEU A 31 0.722 17.972 -7.456 1.00 0.00 C ATOM 388 C LEU A 31 0.317 17.943 -8.931 1.00 0.00 C ATOM 389 O LEU A 31 0.892 17.230 -9.728 1.00 0.00 O ATOM 390 CB LEU A 31 0.164 16.735 -6.750 1.00 0.00 C ATOM 391 CG LEU A 31 1.164 16.251 -5.699 1.00 0.00 C ATOM 392 CD1 LEU A 31 0.475 15.265 -4.752 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.335 15.554 -6.394 1.00 0.00 C ATOM 0 H LEU A 31 -0.393 19.043 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 31 1.809 17.975 -7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.789 16.972 -6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.028 15.945 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 31 1.533 17.104 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.188 14.921 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.360 15.760 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.106 14.412 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.049 15.209 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.965 14.701 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.827 16.255 -7.068 1.00 0.00 H new ATOM 405 N CYS A 32 -0.674 18.707 -9.301 1.00 0.00 N ATOM 406 CA CYS A 32 -1.113 18.715 -10.722 1.00 0.00 C ATOM 407 C CYS A 32 -0.871 20.098 -11.332 1.00 0.00 C ATOM 408 O CYS A 32 -1.667 20.594 -12.105 1.00 0.00 O ATOM 409 CB CYS A 32 -2.602 18.372 -10.794 1.00 0.00 C ATOM 410 SG CYS A 32 -2.935 16.931 -9.749 1.00 0.00 S ATOM 0 H CYS A 32 -1.197 19.325 -8.680 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.542 17.975 -11.282 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.199 19.222 -10.463 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.889 18.163 -11.824 1.00 0.00 H new ATOM 415 N CYS A 33 0.225 20.725 -10.996 1.00 0.00 N ATOM 416 CA CYS A 33 0.514 22.071 -11.567 1.00 0.00 C ATOM 417 C CYS A 33 1.850 22.036 -12.311 1.00 0.00 C ATOM 418 O CYS A 33 2.907 22.081 -11.713 1.00 0.00 O ATOM 419 CB CYS A 33 0.576 23.105 -10.450 1.00 0.00 C ATOM 420 SG CYS A 33 -0.552 24.439 -10.867 1.00 0.00 S ATOM 0 H CYS A 33 0.930 20.364 -10.353 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.280 22.344 -12.262 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.298 22.654 -9.497 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.591 23.485 -10.338 1.00 0.00 H new ATOM 425 N GLU A 34 1.812 21.953 -13.613 1.00 0.00 N ATOM 426 CA GLU A 34 3.080 21.912 -14.394 1.00 0.00 C ATOM 427 C GLU A 34 3.278 23.244 -15.118 1.00 0.00 C ATOM 428 O GLU A 34 2.487 23.633 -15.953 1.00 0.00 O ATOM 429 CB GLU A 34 3.008 20.781 -15.421 1.00 0.00 C ATOM 430 CG GLU A 34 2.414 19.533 -14.763 1.00 0.00 C ATOM 431 CD GLU A 34 2.554 18.339 -15.709 1.00 0.00 C ATOM 432 OE1 GLU A 34 3.677 18.011 -16.053 1.00 0.00 O ATOM 433 OE2 GLU A 34 1.536 17.774 -16.073 1.00 0.00 O ATOM 0 H GLU A 34 0.958 21.912 -14.169 1.00 0.00 H new ATOM 0 HA GLU A 34 3.917 21.739 -13.718 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.395 21.084 -16.270 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.003 20.563 -15.808 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.925 19.327 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.364 19.700 -14.525 1.00 0.00 H new ATOM 440 N GLN A 35 4.331 23.948 -14.802 1.00 0.00 N ATOM 441 CA GLN A 35 4.578 25.255 -15.470 1.00 0.00 C ATOM 442 C GLN A 35 3.538 26.271 -14.995 1.00 0.00 C ATOM 443 O GLN A 35 3.126 27.145 -15.732 1.00 0.00 O ATOM 444 CB GLN A 35 4.465 25.082 -16.986 1.00 0.00 C ATOM 445 CG GLN A 35 5.820 25.363 -17.639 1.00 0.00 C ATOM 446 CD GLN A 35 5.608 26.140 -18.940 1.00 0.00 C ATOM 447 OE1 GLN A 35 4.647 25.912 -19.647 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.471 27.055 -19.286 1.00 0.00 N ATOM 0 H GLN A 35 5.029 23.674 -14.111 1.00 0.00 H new ATOM 0 HA GLN A 35 5.577 25.610 -15.218 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.139 24.069 -17.223 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.711 25.761 -17.384 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.451 25.936 -16.960 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.339 24.426 -17.843 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.278 27.246 -18.692 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.339 27.580 -20.151 1.00 0.00 H new ATOM 457 N CYS A 36 3.108 26.160 -13.768 1.00 0.00 N ATOM 458 CA CYS A 36 2.091 27.115 -13.247 1.00 0.00 C ATOM 459 C CYS A 36 0.740 26.828 -13.909 1.00 0.00 C ATOM 460 O CYS A 36 -0.213 27.561 -13.740 1.00 0.00 O ATOM 461 CB CYS A 36 2.521 28.548 -13.566 1.00 0.00 C ATOM 462 SG CYS A 36 4.285 28.741 -13.207 1.00 0.00 S ATOM 0 H CYS A 36 3.417 25.450 -13.105 1.00 0.00 H new ATOM 0 HA CYS A 36 2.002 26.997 -12.167 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.325 28.773 -14.614 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.939 29.254 -12.974 1.00 0.00 H new ATOM 467 N LYS A 37 0.649 25.763 -14.661 1.00 0.00 N ATOM 468 CA LYS A 37 -0.639 25.428 -15.330 1.00 0.00 C ATOM 469 C LYS A 37 -1.216 24.152 -14.713 1.00 0.00 C ATOM 470 O LYS A 37 -0.522 23.402 -14.058 1.00 0.00 O ATOM 471 CB LYS A 37 -0.399 25.206 -16.825 1.00 0.00 C ATOM 472 CG LYS A 37 0.656 26.193 -17.326 1.00 0.00 C ATOM 473 CD LYS A 37 0.061 27.602 -17.371 1.00 0.00 C ATOM 474 CE LYS A 37 0.975 28.515 -18.189 1.00 0.00 C ATOM 475 NZ LYS A 37 0.917 28.120 -19.625 1.00 0.00 N ATOM 0 H LYS A 37 1.413 25.111 -14.840 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.342 26.250 -15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.068 24.183 -17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.329 25.341 -17.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.526 26.176 -16.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.000 25.901 -18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.934 27.574 -17.814 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.051 27.993 -16.360 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.666 29.554 -18.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.999 28.445 -17.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.147 28.941 -20.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.603 27.359 -19.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.040 27.784 -19.854 1.00 0.00 H new ATOM 489 N PHE A 38 -2.480 23.900 -14.916 1.00 0.00 N ATOM 490 CA PHE A 38 -3.094 22.671 -14.338 1.00 0.00 C ATOM 491 C PHE A 38 -2.542 21.440 -15.055 1.00 0.00 C ATOM 492 O PHE A 38 -1.948 21.538 -16.110 1.00 0.00 O ATOM 493 CB PHE A 38 -4.612 22.725 -14.515 1.00 0.00 C ATOM 494 CG PHE A 38 -5.168 23.889 -13.727 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.736 24.111 -12.414 1.00 0.00 C ATOM 496 CD2 PHE A 38 -6.112 24.743 -14.308 1.00 0.00 C ATOM 497 CE1 PHE A 38 -5.247 25.188 -11.681 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.623 25.822 -13.575 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.191 26.044 -12.262 1.00 0.00 C ATOM 0 H PHE A 38 -3.113 24.490 -15.456 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.855 22.612 -13.276 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.863 22.833 -15.570 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.062 21.793 -14.174 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.008 23.451 -11.967 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.446 24.571 -15.320 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.914 25.359 -10.668 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.350 26.483 -14.023 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.586 26.875 -11.697 1.00 0.00 H new ATOM 509 N SER A 39 -2.734 20.280 -14.491 1.00 0.00 N ATOM 510 CA SER A 39 -2.218 19.043 -15.139 1.00 0.00 C ATOM 511 C SER A 39 -3.339 18.383 -15.945 1.00 0.00 C ATOM 512 O SER A 39 -4.491 18.405 -15.559 1.00 0.00 O ATOM 513 CB SER A 39 -1.715 18.076 -14.064 1.00 0.00 C ATOM 514 OG SER A 39 -2.653 17.020 -13.897 1.00 0.00 O ATOM 0 H SER A 39 -3.226 20.136 -13.609 1.00 0.00 H new ATOM 0 HA SER A 39 -1.396 19.297 -15.808 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.744 17.672 -14.350 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.575 18.605 -13.121 1.00 0.00 H new ATOM 0 HG SER A 39 -2.521 16.600 -13.021 1.00 0.00 H new ATOM 520 N ARG A 40 -3.009 17.800 -17.065 1.00 0.00 N ATOM 521 CA ARG A 40 -4.048 17.137 -17.903 1.00 0.00 C ATOM 522 C ARG A 40 -4.981 16.314 -17.010 1.00 0.00 C ATOM 523 O ARG A 40 -4.715 16.106 -15.843 1.00 0.00 O ATOM 524 CB ARG A 40 -3.373 16.211 -18.916 1.00 0.00 C ATOM 525 CG ARG A 40 -2.868 17.032 -20.104 1.00 0.00 C ATOM 526 CD ARG A 40 -2.248 16.096 -21.143 1.00 0.00 C ATOM 527 NE ARG A 40 -1.538 16.901 -22.177 1.00 0.00 N ATOM 528 CZ ARG A 40 -0.935 16.303 -23.169 1.00 0.00 C ATOM 529 NH1 ARG A 40 -1.606 15.508 -23.957 1.00 0.00 N ATOM 530 NH2 ARG A 40 0.338 16.503 -23.374 1.00 0.00 N ATOM 0 H ARG A 40 -2.060 17.754 -17.437 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.625 17.898 -18.429 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.543 15.684 -18.446 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.078 15.453 -19.258 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.690 17.592 -20.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.130 17.761 -19.769 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.552 15.410 -20.660 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.024 15.488 -21.609 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.523 17.919 -22.110 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.602 15.354 -23.798 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.135 15.041 -24.732 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.862 17.126 -22.759 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.809 16.036 -24.149 1.00 0.00 H new ATOM 544 N ALA A 41 -6.070 15.842 -17.553 1.00 0.00 N ATOM 545 CA ALA A 41 -7.018 15.030 -16.737 1.00 0.00 C ATOM 546 C ALA A 41 -6.491 13.600 -16.617 1.00 0.00 C ATOM 547 O ALA A 41 -5.928 13.055 -17.545 1.00 0.00 O ATOM 548 CB ALA A 41 -8.390 15.014 -17.415 1.00 0.00 C ATOM 0 H ALA A 41 -6.344 15.983 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.110 15.468 -15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.083 14.421 -16.819 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.766 16.034 -17.500 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.299 14.576 -18.409 1.00 0.00 H new ATOM 554 N GLY A 42 -6.667 12.989 -15.478 1.00 0.00 N ATOM 555 CA GLY A 42 -6.174 11.596 -15.297 1.00 0.00 C ATOM 556 C GLY A 42 -4.669 11.625 -15.025 1.00 0.00 C ATOM 557 O GLY A 42 -3.959 10.679 -15.305 1.00 0.00 O ATOM 0 H GLY A 42 -7.131 13.395 -14.665 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.696 11.118 -14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.383 11.005 -16.189 1.00 0.00 H new ATOM 561 N LYS A 43 -4.176 12.704 -14.480 1.00 0.00 N ATOM 562 CA LYS A 43 -2.716 12.791 -14.190 1.00 0.00 C ATOM 563 C LYS A 43 -2.426 12.115 -12.849 1.00 0.00 C ATOM 564 O LYS A 43 -2.897 12.543 -11.815 1.00 0.00 O ATOM 565 CB LYS A 43 -2.293 14.259 -14.128 1.00 0.00 C ATOM 566 CG LYS A 43 -0.882 14.363 -13.548 1.00 0.00 C ATOM 567 CD LYS A 43 0.060 13.446 -14.330 1.00 0.00 C ATOM 568 CE LYS A 43 1.334 14.210 -14.697 1.00 0.00 C ATOM 569 NZ LYS A 43 1.322 14.528 -16.154 1.00 0.00 N ATOM 0 H LYS A 43 -4.720 13.528 -14.223 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.156 12.289 -14.979 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.320 14.698 -15.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.993 14.824 -13.512 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.531 15.393 -13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.889 14.082 -12.495 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.309 12.569 -13.732 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.433 13.086 -15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.400 15.129 -14.114 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.212 13.613 -14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.188 15.047 -16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.278 13.645 -16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.492 15.114 -16.375 1.00 0.00 H new ATOM 583 N ILE A 44 -1.659 11.061 -12.858 1.00 0.00 N ATOM 584 CA ILE A 44 -1.350 10.355 -11.582 1.00 0.00 C ATOM 585 C ILE A 44 -0.653 11.313 -10.615 1.00 0.00 C ATOM 586 O ILE A 44 0.372 11.888 -10.923 1.00 0.00 O ATOM 587 CB ILE A 44 -0.432 9.168 -11.869 1.00 0.00 C ATOM 588 CG1 ILE A 44 -1.193 8.114 -12.677 1.00 0.00 C ATOM 589 CG2 ILE A 44 0.038 8.557 -10.548 1.00 0.00 C ATOM 590 CD1 ILE A 44 -2.221 7.424 -11.780 1.00 0.00 C ATOM 0 H ILE A 44 -1.233 10.658 -13.692 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.278 10.002 -11.132 1.00 0.00 H new ATOM 0 HB ILE A 44 0.432 9.508 -12.441 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.692 8.582 -13.526 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.497 7.379 -13.082 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.693 7.710 -10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.582 9.307 -9.974 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.826 8.218 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.762 6.674 -12.357 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.711 6.942 -10.946 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.924 8.164 -11.397 1.00 0.00 H new ATOM 602 N CYS A 45 -1.203 11.484 -9.445 1.00 0.00 N ATOM 603 CA CYS A 45 -0.580 12.401 -8.448 1.00 0.00 C ATOM 604 C CYS A 45 -0.126 11.600 -7.222 1.00 0.00 C ATOM 605 O CYS A 45 0.633 12.080 -6.405 1.00 0.00 O ATOM 606 CB CYS A 45 -1.598 13.458 -8.015 1.00 0.00 C ATOM 607 SG CYS A 45 -3.219 12.683 -7.796 1.00 0.00 S ATOM 0 H CYS A 45 -2.060 11.027 -9.135 1.00 0.00 H new ATOM 0 HA CYS A 45 0.282 12.890 -8.901 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.278 13.926 -7.084 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.659 14.248 -8.764 1.00 0.00 H new ATOM 612 N ARG A 46 -0.585 10.384 -7.087 1.00 0.00 N ATOM 613 CA ARG A 46 -0.179 9.560 -5.913 1.00 0.00 C ATOM 614 C ARG A 46 -0.367 8.079 -6.245 1.00 0.00 C ATOM 615 O ARG A 46 -1.311 7.696 -6.908 1.00 0.00 O ATOM 616 CB ARG A 46 -1.045 9.928 -4.706 1.00 0.00 C ATOM 617 CG ARG A 46 -0.172 9.989 -3.451 1.00 0.00 C ATOM 618 CD ARG A 46 -1.057 9.922 -2.205 1.00 0.00 C ATOM 619 NE ARG A 46 -0.235 10.205 -0.995 1.00 0.00 N ATOM 620 CZ ARG A 46 -0.724 10.933 -0.029 1.00 0.00 C ATOM 621 NH1 ARG A 46 -2.014 11.084 0.084 1.00 0.00 N ATOM 622 NH2 ARG A 46 0.079 11.508 0.824 1.00 0.00 N ATOM 0 H ARG A 46 -1.223 9.927 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 46 0.868 9.751 -5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.529 10.890 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.837 9.191 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.538 9.162 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.411 10.910 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.869 10.645 -2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.515 8.936 -2.124 1.00 0.00 H new ATOM 0 HE ARG A 46 0.711 9.829 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.641 10.633 -0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.397 11.653 0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.088 11.388 0.735 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.302 12.077 1.580 1.00 0.00 H new ATOM 636 N ILE A 47 0.525 7.240 -5.791 1.00 0.00 N ATOM 637 CA ILE A 47 0.397 5.786 -6.082 1.00 0.00 C ATOM 638 C ILE A 47 0.807 4.980 -4.843 1.00 0.00 C ATOM 639 O ILE A 47 1.980 4.863 -4.548 1.00 0.00 O ATOM 640 CB ILE A 47 1.314 5.419 -7.251 1.00 0.00 C ATOM 641 CG1 ILE A 47 1.381 3.896 -7.387 1.00 0.00 C ATOM 642 CG2 ILE A 47 2.718 5.967 -6.990 1.00 0.00 C ATOM 643 CD1 ILE A 47 -0.006 3.357 -7.740 1.00 0.00 C ATOM 0 H ILE A 47 1.337 7.501 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.636 5.556 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 47 0.920 5.851 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.098 3.620 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.730 3.451 -6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.371 5.706 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.673 7.052 -6.891 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.112 5.535 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.039 2.272 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.711 3.622 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.336 3.793 -8.683 1.00 0.00 H new ATOM 655 N PRO A 48 -0.170 4.447 -4.152 1.00 0.00 N ATOM 656 CA PRO A 48 0.065 3.647 -2.939 1.00 0.00 C ATOM 657 C PRO A 48 0.541 2.240 -3.312 1.00 0.00 C ATOM 658 O PRO A 48 -0.121 1.521 -4.035 1.00 0.00 O ATOM 659 CB PRO A 48 -1.307 3.603 -2.262 1.00 0.00 C ATOM 660 CG PRO A 48 -2.348 3.882 -3.370 1.00 0.00 C ATOM 661 CD PRO A 48 -1.595 4.590 -4.512 1.00 0.00 C ATOM 0 HA PRO A 48 0.836 4.065 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.482 2.631 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -1.373 4.349 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.799 2.954 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.157 4.507 -2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.810 4.129 -5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.883 5.639 -4.589 1.00 0.00 H new ATOM 669 N ARG A 49 1.682 1.845 -2.823 1.00 0.00 N ATOM 670 CA ARG A 49 2.204 0.487 -3.146 1.00 0.00 C ATOM 671 C ARG A 49 1.627 -0.522 -2.155 1.00 0.00 C ATOM 672 O ARG A 49 2.330 -1.353 -1.615 1.00 0.00 O ATOM 673 CB ARG A 49 3.729 0.487 -3.048 1.00 0.00 C ATOM 674 CG ARG A 49 4.307 -0.428 -4.128 1.00 0.00 C ATOM 675 CD ARG A 49 4.988 0.421 -5.203 1.00 0.00 C ATOM 676 NE ARG A 49 4.650 -0.120 -6.550 1.00 0.00 N ATOM 677 CZ ARG A 49 4.253 0.688 -7.496 1.00 0.00 C ATOM 678 NH1 ARG A 49 3.047 1.187 -7.465 1.00 0.00 N ATOM 679 NH2 ARG A 49 5.063 0.998 -8.472 1.00 0.00 N ATOM 0 H ARG A 49 2.278 2.404 -2.212 1.00 0.00 H new ATOM 0 HA ARG A 49 1.910 0.214 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.112 1.500 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.041 0.145 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.024 -1.121 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.514 -1.030 -4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.662 1.458 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.068 0.414 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 49 4.729 -1.120 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.415 0.946 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.737 1.818 -8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.006 0.609 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.753 1.629 -9.211 1.00 0.00 H new ATOM 693 N LEU A 50 0.348 -0.457 -1.919 1.00 0.00 N ATOM 694 CA LEU A 50 -0.286 -1.413 -0.968 1.00 0.00 C ATOM 695 C LEU A 50 -1.502 -2.054 -1.641 1.00 0.00 C ATOM 696 O LEU A 50 -1.378 -3.010 -2.382 1.00 0.00 O ATOM 697 CB LEU A 50 -0.725 -0.681 0.309 1.00 0.00 C ATOM 698 CG LEU A 50 -0.949 0.807 0.020 1.00 0.00 C ATOM 699 CD1 LEU A 50 -2.156 1.308 0.817 1.00 0.00 C ATOM 700 CD2 LEU A 50 0.295 1.597 0.435 1.00 0.00 C ATOM 0 H LEU A 50 -0.288 0.218 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 50 0.436 -2.184 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.643 -1.126 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.034 -0.798 1.082 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.134 0.946 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.314 2.367 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.043 0.745 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.971 1.170 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.138 2.656 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.477 1.456 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.157 1.242 -0.130 1.00 0.00 H new ATOM 712 N ASP A 51 -2.675 -1.537 -1.397 1.00 0.00 N ATOM 713 CA ASP A 51 -3.889 -2.120 -2.029 1.00 0.00 C ATOM 714 C ASP A 51 -4.871 -0.998 -2.376 1.00 0.00 C ATOM 715 O ASP A 51 -6.070 -1.159 -2.273 1.00 0.00 O ATOM 716 CB ASP A 51 -4.550 -3.097 -1.056 1.00 0.00 C ATOM 717 CG ASP A 51 -5.383 -4.114 -1.839 1.00 0.00 C ATOM 718 OD1 ASP A 51 -5.042 -4.375 -2.981 1.00 0.00 O ATOM 719 OD2 ASP A 51 -6.346 -4.614 -1.284 1.00 0.00 O ATOM 0 H ASP A 51 -2.844 -0.737 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.608 -2.650 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.790 -3.610 -0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.184 -2.555 -0.355 1.00 0.00 H new ATOM 724 N MET A 52 -4.373 0.138 -2.785 1.00 0.00 N ATOM 725 CA MET A 52 -5.285 1.263 -3.133 1.00 0.00 C ATOM 726 C MET A 52 -5.086 1.651 -4.601 1.00 0.00 C ATOM 727 O MET A 52 -4.087 1.310 -5.202 1.00 0.00 O ATOM 728 CB MET A 52 -4.976 2.467 -2.240 1.00 0.00 C ATOM 729 CG MET A 52 -5.781 2.361 -0.943 1.00 0.00 C ATOM 730 SD MET A 52 -7.255 3.404 -1.061 1.00 0.00 S ATOM 731 CE MET A 52 -6.528 4.906 -0.360 1.00 0.00 C ATOM 0 H MET A 52 -3.378 0.334 -2.893 1.00 0.00 H new ATOM 0 HA MET A 52 -6.318 0.951 -2.978 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.910 2.503 -2.017 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.224 3.392 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.069 1.325 -0.765 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.169 2.672 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 52 -7.278 5.697 -0.337 1.00 0.00 H new ATOM 0 HE2 MET A 52 -6.183 4.704 0.654 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.685 5.223 -0.974 1.00 0.00 H new ATOM 741 N PRO A 53 -6.050 2.359 -5.132 1.00 0.00 N ATOM 742 CA PRO A 53 -6.021 2.821 -6.532 1.00 0.00 C ATOM 743 C PRO A 53 -5.096 4.032 -6.675 1.00 0.00 C ATOM 744 O PRO A 53 -4.887 4.780 -5.741 1.00 0.00 O ATOM 745 CB PRO A 53 -7.476 3.208 -6.811 1.00 0.00 C ATOM 746 CG PRO A 53 -8.126 3.486 -5.435 1.00 0.00 C ATOM 747 CD PRO A 53 -7.259 2.767 -4.386 1.00 0.00 C ATOM 0 HA PRO A 53 -5.645 2.069 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.528 4.090 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.998 2.406 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.168 4.557 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.151 3.117 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.010 3.427 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.777 1.905 -3.965 1.00 0.00 H new ATOM 755 N ASP A 54 -4.538 4.228 -7.837 1.00 0.00 N ATOM 756 CA ASP A 54 -3.626 5.388 -8.040 1.00 0.00 C ATOM 757 C ASP A 54 -4.440 6.683 -8.057 1.00 0.00 C ATOM 758 O ASP A 54 -5.533 6.735 -8.586 1.00 0.00 O ATOM 759 CB ASP A 54 -2.896 5.229 -9.375 1.00 0.00 C ATOM 760 CG ASP A 54 -2.360 3.802 -9.495 1.00 0.00 C ATOM 761 OD1 ASP A 54 -2.522 3.049 -8.549 1.00 0.00 O ATOM 762 OD2 ASP A 54 -1.797 3.486 -10.529 1.00 0.00 O ATOM 0 H ASP A 54 -4.674 3.635 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.901 5.427 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.574 5.445 -10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.076 5.944 -9.441 1.00 0.00 H new ATOM 767 N ASP A 55 -3.915 7.732 -7.486 1.00 0.00 N ATOM 768 CA ASP A 55 -4.655 9.025 -7.474 1.00 0.00 C ATOM 769 C ASP A 55 -4.331 9.801 -8.752 1.00 0.00 C ATOM 770 O ASP A 55 -3.183 10.029 -9.075 1.00 0.00 O ATOM 771 CB ASP A 55 -4.230 9.846 -6.254 1.00 0.00 C ATOM 772 CG ASP A 55 -5.087 9.455 -5.049 1.00 0.00 C ATOM 773 OD1 ASP A 55 -5.679 8.388 -5.088 1.00 0.00 O ATOM 774 OD2 ASP A 55 -5.138 10.229 -4.108 1.00 0.00 O ATOM 0 H ASP A 55 -3.004 7.749 -7.027 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.727 8.834 -7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.176 9.673 -6.035 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.341 10.910 -6.462 1.00 0.00 H new ATOM 779 N ARG A 56 -5.332 10.203 -9.487 1.00 0.00 N ATOM 780 CA ARG A 56 -5.071 10.956 -10.746 1.00 0.00 C ATOM 781 C ARG A 56 -5.679 12.358 -10.650 1.00 0.00 C ATOM 782 O ARG A 56 -6.617 12.590 -9.912 1.00 0.00 O ATOM 783 CB ARG A 56 -5.697 10.207 -11.924 1.00 0.00 C ATOM 784 CG ARG A 56 -4.847 8.980 -12.259 1.00 0.00 C ATOM 785 CD ARG A 56 -5.429 8.274 -13.484 1.00 0.00 C ATOM 786 NE ARG A 56 -6.900 8.116 -13.315 1.00 0.00 N ATOM 787 CZ ARG A 56 -7.640 7.761 -14.329 1.00 0.00 C ATOM 788 NH1 ARG A 56 -7.464 8.323 -15.493 1.00 0.00 N ATOM 789 NH2 ARG A 56 -8.556 6.843 -14.181 1.00 0.00 N ATOM 0 H ARG A 56 -6.316 10.043 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.995 11.043 -10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.713 9.902 -11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.765 10.864 -12.791 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.818 9.280 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.824 8.297 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.216 8.850 -14.384 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.960 7.298 -13.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.329 8.286 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.748 9.040 -15.610 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.042 8.046 -16.286 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.694 6.402 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.134 6.566 -14.975 1.00 0.00 H new ATOM 803 N CYS A 57 -5.155 13.296 -11.394 1.00 0.00 N ATOM 804 CA CYS A 57 -5.705 14.681 -11.350 1.00 0.00 C ATOM 805 C CYS A 57 -6.956 14.758 -12.226 1.00 0.00 C ATOM 806 O CYS A 57 -7.015 14.173 -13.290 1.00 0.00 O ATOM 807 CB CYS A 57 -4.665 15.670 -11.879 1.00 0.00 C ATOM 808 SG CYS A 57 -3.081 15.392 -11.052 1.00 0.00 S ATOM 0 H CYS A 57 -4.369 13.162 -12.030 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.956 14.933 -10.320 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.550 15.549 -12.956 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.001 16.692 -11.707 1.00 0.00 H new ATOM 813 N THR A 58 -7.953 15.480 -11.790 1.00 0.00 N ATOM 814 CA THR A 58 -9.200 15.599 -12.596 1.00 0.00 C ATOM 815 C THR A 58 -8.905 16.356 -13.892 1.00 0.00 C ATOM 816 O THR A 58 -9.717 16.402 -14.794 1.00 0.00 O ATOM 817 CB THR A 58 -10.256 16.366 -11.794 1.00 0.00 C ATOM 818 OG1 THR A 58 -9.903 17.740 -11.746 1.00 0.00 O ATOM 819 CG2 THR A 58 -10.328 15.805 -10.371 1.00 0.00 C ATOM 0 H THR A 58 -7.957 15.993 -10.909 1.00 0.00 H new ATOM 0 HA THR A 58 -9.571 14.602 -12.833 1.00 0.00 H new ATOM 0 HB THR A 58 -11.229 16.256 -12.274 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.578 18.233 -11.235 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.080 16.352 -9.802 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.598 14.750 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.357 15.913 -9.888 1.00 0.00 H new ATOM 827 N GLY A 59 -7.751 16.957 -13.992 1.00 0.00 N ATOM 828 CA GLY A 59 -7.410 17.714 -15.228 1.00 0.00 C ATOM 829 C GLY A 59 -7.572 19.210 -14.959 1.00 0.00 C ATOM 830 O GLY A 59 -6.841 20.029 -15.482 1.00 0.00 O ATOM 0 H GLY A 59 -7.030 16.956 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.386 17.495 -15.532 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.059 17.407 -16.048 1.00 0.00 H new ATOM 834 N GLN A 60 -8.523 19.571 -14.144 1.00 0.00 N ATOM 835 CA GLN A 60 -8.734 21.012 -13.835 1.00 0.00 C ATOM 836 C GLN A 60 -8.240 21.303 -12.417 1.00 0.00 C ATOM 837 O GLN A 60 -8.085 22.443 -12.026 1.00 0.00 O ATOM 838 CB GLN A 60 -10.224 21.345 -13.934 1.00 0.00 C ATOM 839 CG GLN A 60 -10.794 20.765 -15.230 1.00 0.00 C ATOM 840 CD GLN A 60 -11.338 21.898 -16.102 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.652 22.868 -16.353 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.551 21.815 -16.578 1.00 0.00 N ATOM 0 H GLN A 60 -9.164 18.929 -13.678 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.179 21.622 -14.548 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.756 20.936 -13.075 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.368 22.425 -13.913 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.019 20.218 -15.768 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.588 20.053 -15.004 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.127 21.000 -16.367 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.923 22.565 -17.161 1.00 0.00 H new ATOM 851 N SER A 61 -7.990 20.281 -11.644 1.00 0.00 N ATOM 852 CA SER A 61 -7.506 20.505 -10.252 1.00 0.00 C ATOM 853 C SER A 61 -5.993 20.729 -10.267 1.00 0.00 C ATOM 854 O SER A 61 -5.253 19.986 -10.882 1.00 0.00 O ATOM 855 CB SER A 61 -7.832 19.282 -9.394 1.00 0.00 C ATOM 856 OG SER A 61 -7.558 19.580 -8.031 1.00 0.00 O ATOM 0 H SER A 61 -8.100 19.304 -11.915 1.00 0.00 H new ATOM 0 HA SER A 61 -7.999 21.383 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.880 19.007 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.239 18.427 -9.718 1.00 0.00 H new ATOM 0 HG SER A 61 -6.724 19.142 -7.762 1.00 0.00 H new ATOM 862 N ALA A 62 -5.528 21.745 -9.595 1.00 0.00 N ATOM 863 CA ALA A 62 -4.063 22.016 -9.570 1.00 0.00 C ATOM 864 C ALA A 62 -3.386 21.074 -8.570 1.00 0.00 C ATOM 865 O ALA A 62 -2.300 20.581 -8.804 1.00 0.00 O ATOM 866 CB ALA A 62 -3.819 23.467 -9.150 1.00 0.00 C ATOM 0 H ALA A 62 -6.099 22.400 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.647 21.851 -10.564 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.747 23.665 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.300 24.138 -9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.236 23.633 -8.157 1.00 0.00 H new ATOM 872 N ASP A 63 -4.018 20.822 -7.457 1.00 0.00 N ATOM 873 CA ASP A 63 -3.411 19.913 -6.444 1.00 0.00 C ATOM 874 C ASP A 63 -4.112 18.554 -6.491 1.00 0.00 C ATOM 875 O ASP A 63 -5.107 18.380 -7.168 1.00 0.00 O ATOM 876 CB ASP A 63 -3.576 20.522 -5.050 1.00 0.00 C ATOM 877 CG ASP A 63 -3.089 21.973 -5.065 1.00 0.00 C ATOM 878 OD1 ASP A 63 -2.740 22.448 -6.132 1.00 0.00 O ATOM 879 OD2 ASP A 63 -3.076 22.583 -4.008 1.00 0.00 O ATOM 0 H ASP A 63 -4.929 21.206 -7.205 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.351 19.783 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.622 20.482 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.009 19.945 -4.320 1.00 0.00 H new ATOM 884 N CYS A 64 -3.601 17.589 -5.778 1.00 0.00 N ATOM 885 CA CYS A 64 -4.236 16.241 -5.781 1.00 0.00 C ATOM 886 C CYS A 64 -4.845 15.963 -4.411 1.00 0.00 C ATOM 887 O CYS A 64 -4.157 15.987 -3.409 1.00 0.00 O ATOM 888 CB CYS A 64 -3.183 15.181 -6.103 1.00 0.00 C ATOM 889 SG CYS A 64 -3.959 13.547 -6.128 1.00 0.00 S ATOM 0 H CYS A 64 -2.770 17.676 -5.193 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.020 16.209 -6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.723 15.392 -7.069 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.387 15.206 -5.359 1.00 0.00 H new ATOM 894 N PRO A 65 -6.127 15.708 -4.411 1.00 0.00 N ATOM 895 CA PRO A 65 -6.873 15.420 -3.184 1.00 0.00 C ATOM 896 C PRO A 65 -6.641 13.972 -2.741 1.00 0.00 C ATOM 897 O PRO A 65 -5.905 13.232 -3.363 1.00 0.00 O ATOM 898 CB PRO A 65 -8.327 15.636 -3.598 1.00 0.00 C ATOM 899 CG PRO A 65 -8.386 15.487 -5.132 1.00 0.00 C ATOM 900 CD PRO A 65 -6.953 15.681 -5.640 1.00 0.00 C ATOM 0 HA PRO A 65 -6.574 16.044 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.978 14.908 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.672 16.624 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.768 14.506 -5.413 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.057 16.227 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.653 14.869 -6.303 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.854 16.607 -6.206 1.00 0.00 H new ATOM 908 N ARG A 66 -7.265 13.564 -1.671 1.00 0.00 N ATOM 909 CA ARG A 66 -7.081 12.166 -1.190 1.00 0.00 C ATOM 910 C ARG A 66 -8.404 11.407 -1.314 1.00 0.00 C ATOM 911 O ARG A 66 -9.463 11.935 -1.041 1.00 0.00 O ATOM 912 CB ARG A 66 -6.638 12.185 0.274 1.00 0.00 C ATOM 913 CG ARG A 66 -7.355 13.318 1.011 1.00 0.00 C ATOM 914 CD ARG A 66 -7.339 13.038 2.515 1.00 0.00 C ATOM 915 NE ARG A 66 -7.826 14.239 3.252 1.00 0.00 N ATOM 916 CZ ARG A 66 -8.882 14.153 4.015 1.00 0.00 C ATOM 917 NH1 ARG A 66 -10.062 13.995 3.480 1.00 0.00 N ATOM 918 NH2 ARG A 66 -8.758 14.224 5.312 1.00 0.00 N ATOM 0 H ARG A 66 -7.894 14.138 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.320 11.670 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.865 11.229 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.559 12.323 0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.865 14.269 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.382 13.404 0.657 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.970 12.179 2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.329 12.786 2.838 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.334 15.128 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.159 13.939 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.887 13.928 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.836 14.347 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.583 14.157 5.908 1.00 0.00 H new ATOM 932 N TYR A 67 -8.349 10.169 -1.726 1.00 0.00 N ATOM 933 CA TYR A 67 -9.602 9.376 -1.869 1.00 0.00 C ATOM 934 C TYR A 67 -9.967 8.751 -0.520 1.00 0.00 C ATOM 935 O TYR A 67 -9.335 7.818 -0.067 1.00 0.00 O ATOM 936 CB TYR A 67 -9.386 8.270 -2.903 1.00 0.00 C ATOM 937 CG TYR A 67 -9.902 8.729 -4.246 1.00 0.00 C ATOM 938 CD1 TYR A 67 -11.281 8.847 -4.463 1.00 0.00 C ATOM 939 CD2 TYR A 67 -9.004 9.039 -5.274 1.00 0.00 C ATOM 940 CE1 TYR A 67 -11.760 9.273 -5.707 1.00 0.00 C ATOM 941 CE2 TYR A 67 -9.482 9.467 -6.517 1.00 0.00 C ATOM 942 CZ TYR A 67 -10.861 9.583 -6.734 1.00 0.00 C ATOM 943 OH TYR A 67 -11.334 10.005 -7.961 1.00 0.00 O ATOM 0 H TYR A 67 -7.491 9.674 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.412 10.028 -2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.326 8.025 -2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.903 7.362 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.975 8.609 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.941 8.948 -5.107 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -12.823 9.363 -5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.788 9.708 -7.309 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.579 10.179 -8.560 1.00 0.00 H new ATOM 953 N HIS A 68 -10.983 9.258 0.123 1.00 0.00 N ATOM 954 CA HIS A 68 -11.387 8.692 1.442 1.00 0.00 C ATOM 955 C HIS A 68 -12.673 9.372 1.917 1.00 0.00 C ATOM 956 O HIS A 68 -13.470 8.708 2.557 1.00 0.00 O ATOM 957 CB HIS A 68 -10.273 8.934 2.462 1.00 0.00 C ATOM 958 CG HIS A 68 -10.453 8.005 3.633 1.00 0.00 C ATOM 959 ND1 HIS A 68 -11.692 7.772 4.208 1.00 0.00 N ATOM 960 CD2 HIS A 68 -9.559 7.246 4.349 1.00 0.00 C ATOM 961 CE1 HIS A 68 -11.512 6.905 5.223 1.00 0.00 C ATOM 962 NE2 HIS A 68 -10.231 6.553 5.352 1.00 0.00 N ATOM 963 OXT HIS A 68 -12.838 10.548 1.632 1.00 0.00 O ATOM 0 H HIS A 68 -11.550 10.039 -0.207 1.00 0.00 H new ATOM 0 HA HIS A 68 -11.560 7.621 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -9.300 8.769 2.000 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -10.294 9.970 2.800 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -12.579 8.182 3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -8.497 7.195 4.162 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -12.307 6.539 5.855 1.00 0.00 H new TER 971 HIS A 68