USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 -157:sc= 0.0408 USER MOD Single : A 11 ASN : amide:sc= -2.39! C(o=-2.4!,f=-5!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 35 GLN : amide:sc= -3.22 K(o=-3.2,f=-1.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 144:sc= -1.35 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 USER MOD Single : A 60 GLN : amide:sc= -0.944 K(o=-0.94,f=-0.17) USER MOD Single : A 61 SER OG : rot -73:sc= 1.28 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.063 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.530 -8.768 5.299 1.00 0.00 N ATOM 2 CA GLY A 1 -8.808 -8.016 5.448 1.00 0.00 C ATOM 3 C GLY A 1 -9.981 -8.932 5.094 1.00 0.00 C ATOM 4 O GLY A 1 -10.524 -8.870 4.009 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.731 -8.147 5.539 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.534 -9.589 5.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.431 -9.094 4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.912 -7.653 6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.806 -7.141 4.797 1.00 0.00 H new ATOM 10 N LYS A 2 -10.378 -9.782 6.001 1.00 0.00 N ATOM 11 CA LYS A 2 -11.513 -10.704 5.714 1.00 0.00 C ATOM 12 C LYS A 2 -12.827 -9.918 5.723 1.00 0.00 C ATOM 13 O LYS A 2 -13.648 -10.055 4.839 1.00 0.00 O ATOM 14 CB LYS A 2 -11.565 -11.797 6.785 1.00 0.00 C ATOM 15 CG LYS A 2 -10.314 -12.673 6.683 1.00 0.00 C ATOM 16 CD LYS A 2 -10.434 -13.851 7.652 1.00 0.00 C ATOM 17 CE LYS A 2 -9.197 -14.742 7.529 1.00 0.00 C ATOM 18 NZ LYS A 2 -9.306 -15.881 8.485 1.00 0.00 N ATOM 0 H LYS A 2 -9.965 -9.878 6.929 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.371 -11.160 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.627 -11.347 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.460 -12.406 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.195 -13.038 5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.426 -12.086 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.532 -13.486 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.333 -14.427 7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.106 -15.117 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.297 -14.163 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.465 -16.487 8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.373 -15.514 9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.157 -16.438 8.266 1.00 0.00 H new ATOM 32 N GLU A 3 -13.035 -9.099 6.718 1.00 0.00 N ATOM 33 CA GLU A 3 -14.300 -8.313 6.781 1.00 0.00 C ATOM 34 C GLU A 3 -13.982 -6.817 6.753 1.00 0.00 C ATOM 35 O GLU A 3 -14.870 -5.989 6.681 1.00 0.00 O ATOM 36 CB GLU A 3 -15.049 -8.653 8.070 1.00 0.00 C ATOM 37 CG GLU A 3 -14.171 -8.316 9.277 1.00 0.00 C ATOM 38 CD GLU A 3 -14.746 -8.977 10.530 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.908 -9.346 10.501 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.015 -9.103 11.498 1.00 0.00 O ATOM 0 H GLU A 3 -12.385 -8.940 7.488 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.922 -8.564 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.983 -8.093 8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.311 -9.711 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.152 -8.662 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.122 -7.236 9.413 1.00 0.00 H new ATOM 47 N CYS A 4 -12.730 -6.456 6.806 1.00 0.00 N ATOM 48 CA CYS A 4 -12.384 -5.008 6.777 1.00 0.00 C ATOM 49 C CYS A 4 -11.499 -4.714 5.564 1.00 0.00 C ATOM 50 O CYS A 4 -10.484 -5.348 5.356 1.00 0.00 O ATOM 51 CB CYS A 4 -11.639 -4.618 8.056 1.00 0.00 C ATOM 52 SG CYS A 4 -11.569 -2.813 8.177 1.00 0.00 S ATOM 0 H CYS A 4 -11.937 -7.095 6.868 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.304 -4.427 6.708 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.145 -5.033 8.927 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -10.631 -5.033 8.045 1.00 0.00 H new ATOM 57 N ASP A 5 -11.873 -3.751 4.766 1.00 0.00 N ATOM 58 CA ASP A 5 -11.051 -3.411 3.572 1.00 0.00 C ATOM 59 C ASP A 5 -10.127 -2.241 3.914 1.00 0.00 C ATOM 60 O ASP A 5 -9.114 -2.031 3.280 1.00 0.00 O ATOM 61 CB ASP A 5 -11.969 -3.019 2.412 1.00 0.00 C ATOM 62 CG ASP A 5 -11.301 -3.394 1.086 1.00 0.00 C ATOM 63 OD1 ASP A 5 -10.124 -3.112 0.939 1.00 0.00 O ATOM 64 OD2 ASP A 5 -11.980 -3.955 0.242 1.00 0.00 O ATOM 0 H ASP A 5 -12.713 -3.185 4.890 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.454 -4.275 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.929 -3.528 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.172 -1.948 2.440 1.00 0.00 H new ATOM 69 N CYS A 6 -10.469 -1.481 4.919 1.00 0.00 N ATOM 70 CA CYS A 6 -9.608 -0.328 5.309 1.00 0.00 C ATOM 71 C CYS A 6 -8.959 -0.625 6.662 1.00 0.00 C ATOM 72 O CYS A 6 -9.295 -1.586 7.321 1.00 0.00 O ATOM 73 CB CYS A 6 -10.466 0.937 5.414 1.00 0.00 C ATOM 74 SG CYS A 6 -11.790 0.676 6.620 1.00 0.00 S ATOM 0 H CYS A 6 -11.307 -1.609 5.486 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.833 -0.174 4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.848 1.783 5.715 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -10.891 1.182 4.440 1.00 0.00 H new ATOM 79 N SER A 7 -8.031 0.187 7.085 1.00 0.00 N ATOM 80 CA SER A 7 -7.373 -0.064 8.398 1.00 0.00 C ATOM 81 C SER A 7 -7.944 0.900 9.440 1.00 0.00 C ATOM 82 O SER A 7 -7.854 0.669 10.630 1.00 0.00 O ATOM 83 CB SER A 7 -5.866 0.159 8.268 1.00 0.00 C ATOM 84 OG SER A 7 -5.234 -0.166 9.500 1.00 0.00 O ATOM 0 H SER A 7 -7.701 1.010 6.581 1.00 0.00 H new ATOM 0 HA SER A 7 -7.559 -1.092 8.709 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.463 -0.459 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.662 1.197 8.004 1.00 0.00 H new ATOM 0 HG SER A 7 -4.268 -0.025 9.419 1.00 0.00 H new ATOM 90 N SER A 8 -8.534 1.977 9.001 1.00 0.00 N ATOM 91 CA SER A 8 -9.115 2.953 9.962 1.00 0.00 C ATOM 92 C SER A 8 -10.621 2.695 10.093 1.00 0.00 C ATOM 93 O SER A 8 -11.335 2.724 9.111 1.00 0.00 O ATOM 94 CB SER A 8 -8.888 4.374 9.443 1.00 0.00 C ATOM 95 OG SER A 8 -8.036 4.328 8.306 1.00 0.00 O ATOM 0 H SER A 8 -8.639 2.223 8.017 1.00 0.00 H new ATOM 0 HA SER A 8 -8.636 2.840 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.841 4.834 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.441 4.991 10.222 1.00 0.00 H new ATOM 0 HG SER A 8 -7.602 5.199 8.187 1.00 0.00 H new ATOM 101 N PRO A 9 -11.064 2.447 11.302 1.00 0.00 N ATOM 102 CA PRO A 9 -12.486 2.180 11.582 1.00 0.00 C ATOM 103 C PRO A 9 -13.287 3.484 11.578 1.00 0.00 C ATOM 104 O PRO A 9 -14.468 3.500 11.864 1.00 0.00 O ATOM 105 CB PRO A 9 -12.466 1.550 12.977 1.00 0.00 C ATOM 106 CG PRO A 9 -11.144 2.001 13.640 1.00 0.00 C ATOM 107 CD PRO A 9 -10.197 2.413 12.497 1.00 0.00 C ATOM 0 HA PRO A 9 -12.956 1.537 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.325 1.876 13.563 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.518 0.463 12.913 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.316 2.835 14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.711 1.193 14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.743 3.385 12.687 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.382 1.699 12.378 1.00 0.00 H new ATOM 115 N GLU A 10 -12.656 4.579 11.254 1.00 0.00 N ATOM 116 CA GLU A 10 -13.382 5.879 11.230 1.00 0.00 C ATOM 117 C GLU A 10 -13.227 6.521 9.851 1.00 0.00 C ATOM 118 O GLU A 10 -13.531 7.682 9.659 1.00 0.00 O ATOM 119 CB GLU A 10 -12.799 6.810 12.294 1.00 0.00 C ATOM 120 CG GLU A 10 -13.932 7.385 13.147 1.00 0.00 C ATOM 121 CD GLU A 10 -13.358 8.380 14.158 1.00 0.00 C ATOM 122 OE1 GLU A 10 -12.405 8.026 14.832 1.00 0.00 O ATOM 123 OE2 GLU A 10 -13.881 9.478 14.240 1.00 0.00 O ATOM 0 H GLU A 10 -11.668 4.629 11.005 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.439 5.709 11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.096 6.264 12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.241 7.617 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.665 7.880 12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.453 6.581 13.668 1.00 0.00 H new ATOM 130 N ASN A 11 -12.757 5.775 8.889 1.00 0.00 N ATOM 131 CA ASN A 11 -12.584 6.348 7.524 1.00 0.00 C ATOM 132 C ASN A 11 -13.937 6.361 6.804 1.00 0.00 C ATOM 133 O ASN A 11 -14.734 5.460 6.972 1.00 0.00 O ATOM 134 CB ASN A 11 -11.594 5.492 6.733 1.00 0.00 C ATOM 135 CG ASN A 11 -10.645 6.403 5.954 1.00 0.00 C ATOM 136 OD1 ASN A 11 -10.370 7.511 6.369 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.129 5.981 4.832 1.00 0.00 N ATOM 0 H ASN A 11 -12.486 4.797 8.988 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.202 7.366 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.028 4.852 7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.130 4.836 6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.495 6.581 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.359 5.051 4.483 1.00 0.00 H new ATOM 144 N PRO A 12 -14.155 7.391 6.024 1.00 0.00 N ATOM 145 CA PRO A 12 -15.406 7.562 5.265 1.00 0.00 C ATOM 146 C PRO A 12 -15.396 6.701 3.997 1.00 0.00 C ATOM 147 O PRO A 12 -16.432 6.330 3.483 1.00 0.00 O ATOM 148 CB PRO A 12 -15.404 9.051 4.905 1.00 0.00 C ATOM 149 CG PRO A 12 -13.929 9.514 4.968 1.00 0.00 C ATOM 150 CD PRO A 12 -13.178 8.483 5.832 1.00 0.00 C ATOM 0 HA PRO A 12 -16.289 7.259 5.828 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.819 9.210 3.910 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.020 9.620 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.498 9.569 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.854 10.511 5.403 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.276 8.127 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.868 8.912 6.785 1.00 0.00 H new ATOM 158 N CYS A 13 -14.238 6.390 3.480 1.00 0.00 N ATOM 159 CA CYS A 13 -14.178 5.567 2.241 1.00 0.00 C ATOM 160 C CYS A 13 -14.556 4.117 2.553 1.00 0.00 C ATOM 161 O CYS A 13 -14.771 3.322 1.660 1.00 0.00 O ATOM 162 CB CYS A 13 -12.762 5.617 1.658 1.00 0.00 C ATOM 163 SG CYS A 13 -12.849 5.322 -0.126 1.00 0.00 S ATOM 0 H CYS A 13 -13.334 6.670 3.862 1.00 0.00 H new ATOM 0 HA CYS A 13 -14.884 5.968 1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.307 6.587 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.132 4.865 2.134 1.00 0.00 H new ATOM 168 N CYS A 14 -14.649 3.760 3.806 1.00 0.00 N ATOM 169 CA CYS A 14 -15.023 2.356 4.140 1.00 0.00 C ATOM 170 C CYS A 14 -16.020 2.338 5.301 1.00 0.00 C ATOM 171 O CYS A 14 -15.778 2.892 6.354 1.00 0.00 O ATOM 172 CB CYS A 14 -13.770 1.558 4.514 1.00 0.00 C ATOM 173 SG CYS A 14 -13.174 2.070 6.145 1.00 0.00 S ATOM 0 H CYS A 14 -14.484 4.373 4.605 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.490 1.898 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.996 0.492 4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.992 1.716 3.767 1.00 0.00 H new ATOM 178 N ASP A 15 -17.145 1.702 5.106 1.00 0.00 N ATOM 179 CA ASP A 15 -18.170 1.638 6.184 1.00 0.00 C ATOM 180 C ASP A 15 -17.536 1.092 7.462 1.00 0.00 C ATOM 181 O ASP A 15 -16.777 0.140 7.431 1.00 0.00 O ATOM 182 CB ASP A 15 -19.309 0.714 5.748 1.00 0.00 C ATOM 183 CG ASP A 15 -20.589 1.090 6.497 1.00 0.00 C ATOM 184 OD1 ASP A 15 -20.991 2.238 6.402 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.144 0.223 7.151 1.00 0.00 O ATOM 0 H ASP A 15 -17.397 1.223 4.242 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.561 2.638 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.467 0.797 4.673 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.047 -0.324 5.953 1.00 0.00 H new ATOM 190 N ALA A 16 -17.843 1.686 8.584 1.00 0.00 N ATOM 191 CA ALA A 16 -17.264 1.209 9.873 1.00 0.00 C ATOM 192 C ALA A 16 -18.026 -0.030 10.348 1.00 0.00 C ATOM 193 O ALA A 16 -17.436 -1.032 10.703 1.00 0.00 O ATOM 194 CB ALA A 16 -17.384 2.315 10.923 1.00 0.00 C ATOM 0 H ALA A 16 -18.473 2.485 8.663 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.214 0.955 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.961 1.969 11.866 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.842 3.198 10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -18.435 2.567 11.067 1.00 0.00 H new ATOM 200 N ALA A 17 -19.329 0.028 10.359 1.00 0.00 N ATOM 201 CA ALA A 17 -20.121 -1.151 10.813 1.00 0.00 C ATOM 202 C ALA A 17 -19.629 -2.398 10.079 1.00 0.00 C ATOM 203 O ALA A 17 -19.612 -3.485 10.622 1.00 0.00 O ATOM 204 CB ALA A 17 -21.602 -0.925 10.500 1.00 0.00 C ATOM 0 H ALA A 17 -19.879 0.838 10.074 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.997 -1.284 11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -22.180 -1.787 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -21.951 -0.032 11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -21.731 -0.794 9.426 1.00 0.00 H new ATOM 210 N THR A 18 -19.222 -2.248 8.849 1.00 0.00 N ATOM 211 CA THR A 18 -18.724 -3.421 8.079 1.00 0.00 C ATOM 212 C THR A 18 -17.204 -3.323 7.944 1.00 0.00 C ATOM 213 O THR A 18 -16.531 -4.296 7.664 1.00 0.00 O ATOM 214 CB THR A 18 -19.362 -3.430 6.688 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.671 -2.520 5.845 1.00 0.00 O ATOM 216 CG2 THR A 18 -20.830 -3.015 6.797 1.00 0.00 C ATOM 0 H THR A 18 -19.213 -1.362 8.344 1.00 0.00 H new ATOM 0 HA THR A 18 -18.988 -4.341 8.601 1.00 0.00 H new ATOM 0 HB THR A 18 -19.300 -4.433 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.078 -2.526 4.953 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.284 -3.021 5.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 -21.359 -3.715 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 18 -20.894 -2.012 7.219 1.00 0.00 H new ATOM 224 N CYS A 19 -16.657 -2.154 8.145 1.00 0.00 N ATOM 225 CA CYS A 19 -15.180 -1.993 8.031 1.00 0.00 C ATOM 226 C CYS A 19 -14.754 -2.216 6.579 1.00 0.00 C ATOM 227 O CYS A 19 -13.597 -2.446 6.291 1.00 0.00 O ATOM 228 CB CYS A 19 -14.493 -3.027 8.926 1.00 0.00 C ATOM 229 SG CYS A 19 -12.949 -2.343 9.575 1.00 0.00 S ATOM 0 H CYS A 19 -17.169 -1.305 8.383 1.00 0.00 H new ATOM 0 HA CYS A 19 -14.895 -0.988 8.342 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.152 -3.306 9.748 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.289 -3.935 8.359 1.00 0.00 H new ATOM 234 N LYS A 20 -15.678 -2.154 5.661 1.00 0.00 N ATOM 235 CA LYS A 20 -15.317 -2.379 4.230 1.00 0.00 C ATOM 236 C LYS A 20 -15.587 -1.114 3.410 1.00 0.00 C ATOM 237 O LYS A 20 -16.191 -0.171 3.882 1.00 0.00 O ATOM 238 CB LYS A 20 -16.153 -3.533 3.667 1.00 0.00 C ATOM 239 CG LYS A 20 -15.834 -4.825 4.426 1.00 0.00 C ATOM 240 CD LYS A 20 -16.740 -5.949 3.918 1.00 0.00 C ATOM 241 CE LYS A 20 -16.195 -7.297 4.392 1.00 0.00 C ATOM 242 NZ LYS A 20 -16.840 -8.393 3.616 1.00 0.00 N ATOM 0 H LYS A 20 -16.664 -1.958 5.837 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.257 -2.625 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.215 -3.302 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.942 -3.663 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.787 -5.094 4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.983 -4.678 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.756 -5.806 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.789 -5.927 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.114 -7.331 4.260 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.390 -7.427 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.470 -9.310 3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.869 -8.364 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.632 -8.271 2.604 1.00 0.00 H new ATOM 256 N LEU A 21 -15.144 -1.092 2.180 1.00 0.00 N ATOM 257 CA LEU A 21 -15.373 0.104 1.323 1.00 0.00 C ATOM 258 C LEU A 21 -16.874 0.277 1.086 1.00 0.00 C ATOM 259 O LEU A 21 -17.592 -0.678 0.869 1.00 0.00 O ATOM 260 CB LEU A 21 -14.657 -0.081 -0.014 1.00 0.00 C ATOM 261 CG LEU A 21 -13.178 0.262 0.161 1.00 0.00 C ATOM 262 CD1 LEU A 21 -12.324 -0.791 -0.541 1.00 0.00 C ATOM 263 CD2 LEU A 21 -12.898 1.637 -0.451 1.00 0.00 C ATOM 0 H LEU A 21 -14.633 -1.853 1.733 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.980 0.991 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.767 -1.109 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.105 0.561 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.932 0.279 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.269 -0.546 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.523 -1.770 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.569 -0.809 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.843 1.883 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.144 1.620 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.507 2.389 0.050 1.00 0.00 H new ATOM 275 N ARG A 22 -17.358 1.487 1.145 1.00 0.00 N ATOM 276 CA ARG A 22 -18.819 1.713 0.943 1.00 0.00 C ATOM 277 C ARG A 22 -19.129 2.062 -0.523 1.00 0.00 C ATOM 278 O ARG A 22 -19.894 1.367 -1.163 1.00 0.00 O ATOM 279 CB ARG A 22 -19.290 2.847 1.856 1.00 0.00 C ATOM 280 CG ARG A 22 -20.218 2.282 2.932 1.00 0.00 C ATOM 281 CD ARG A 22 -21.653 2.731 2.657 1.00 0.00 C ATOM 282 NE ARG A 22 -22.599 1.871 3.425 1.00 0.00 N ATOM 283 CZ ARG A 22 -23.529 2.419 4.157 1.00 0.00 C ATOM 284 NH1 ARG A 22 -24.168 3.470 3.721 1.00 0.00 N ATOM 285 NH2 ARG A 22 -23.821 1.917 5.327 1.00 0.00 N ATOM 0 H ARG A 22 -16.808 2.327 1.324 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.348 0.793 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.433 3.335 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.812 3.606 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.162 1.193 2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.901 2.625 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.780 3.775 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.868 2.664 1.591 1.00 0.00 H new ATOM 0 HE ARG A 22 -22.519 0.855 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -23.940 3.863 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -24.895 3.899 4.293 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -23.322 1.096 5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.548 2.346 5.899 1.00 0.00 H new ATOM 299 N PRO A 23 -18.546 3.131 -1.014 1.00 0.00 N ATOM 300 CA PRO A 23 -18.774 3.582 -2.402 1.00 0.00 C ATOM 301 C PRO A 23 -17.982 2.722 -3.391 1.00 0.00 C ATOM 302 O PRO A 23 -17.420 1.706 -3.036 1.00 0.00 O ATOM 303 CB PRO A 23 -18.263 5.024 -2.401 1.00 0.00 C ATOM 304 CG PRO A 23 -17.274 5.136 -1.219 1.00 0.00 C ATOM 305 CD PRO A 23 -17.609 3.983 -0.252 1.00 0.00 C ATOM 0 HA PRO A 23 -19.817 3.504 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -17.770 5.262 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -19.087 5.728 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.244 5.062 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -17.373 6.100 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -16.714 3.432 0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -18.064 4.353 0.667 1.00 0.00 H new ATOM 313 N GLY A 24 -17.931 3.127 -4.632 1.00 0.00 N ATOM 314 CA GLY A 24 -17.174 2.338 -5.646 1.00 0.00 C ATOM 315 C GLY A 24 -15.676 2.582 -5.458 1.00 0.00 C ATOM 316 O GLY A 24 -14.978 2.966 -6.376 1.00 0.00 O ATOM 0 H GLY A 24 -18.381 3.971 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.398 1.277 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.478 2.628 -6.652 1.00 0.00 H new ATOM 320 N ALA A 25 -15.178 2.366 -4.272 1.00 0.00 N ATOM 321 CA ALA A 25 -13.732 2.587 -4.015 1.00 0.00 C ATOM 322 C ALA A 25 -13.029 1.237 -3.856 1.00 0.00 C ATOM 323 O ALA A 25 -13.338 0.467 -2.968 1.00 0.00 O ATOM 324 CB ALA A 25 -13.579 3.400 -2.728 1.00 0.00 C ATOM 0 H ALA A 25 -15.716 2.044 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.284 3.127 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.521 3.569 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.085 4.359 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.022 2.852 -1.897 1.00 0.00 H new ATOM 330 N GLN A 26 -12.082 0.942 -4.707 1.00 0.00 N ATOM 331 CA GLN A 26 -11.363 -0.358 -4.594 1.00 0.00 C ATOM 332 C GLN A 26 -10.470 -0.339 -3.352 1.00 0.00 C ATOM 333 O GLN A 26 -9.879 -1.335 -2.983 1.00 0.00 O ATOM 334 CB GLN A 26 -10.501 -0.577 -5.838 1.00 0.00 C ATOM 335 CG GLN A 26 -10.856 -1.926 -6.459 1.00 0.00 C ATOM 336 CD GLN A 26 -11.219 -1.733 -7.932 1.00 0.00 C ATOM 337 OE1 GLN A 26 -10.572 -2.278 -8.806 1.00 0.00 O ATOM 338 NE2 GLN A 26 -12.234 -0.976 -8.248 1.00 0.00 N ATOM 0 H GLN A 26 -11.777 1.543 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 26 -12.088 -1.167 -4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.669 0.224 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.444 -0.551 -5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.014 -2.612 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.692 -2.375 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.777 -0.519 -7.515 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.484 -0.842 -9.228 1.00 0.00 H new ATOM 347 N CYS A 27 -10.369 0.788 -2.707 1.00 0.00 N ATOM 348 CA CYS A 27 -9.518 0.882 -1.491 1.00 0.00 C ATOM 349 C CYS A 27 -9.920 2.139 -0.713 1.00 0.00 C ATOM 350 O CYS A 27 -10.128 3.192 -1.282 1.00 0.00 O ATOM 351 CB CYS A 27 -8.037 0.939 -1.919 1.00 0.00 C ATOM 352 SG CYS A 27 -7.050 1.925 -0.751 1.00 0.00 S ATOM 0 H CYS A 27 -10.842 1.652 -2.971 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.655 0.013 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.634 -0.072 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.961 1.370 -2.917 1.00 0.00 H new ATOM 357 N GLY A 28 -10.026 2.035 0.581 1.00 0.00 N ATOM 358 CA GLY A 28 -10.411 3.223 1.389 1.00 0.00 C ATOM 359 C GLY A 28 -9.152 4.000 1.775 1.00 0.00 C ATOM 360 O GLY A 28 -9.196 5.188 2.022 1.00 0.00 O ATOM 0 H GLY A 28 -9.863 1.180 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.086 3.862 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.948 2.910 2.284 1.00 0.00 H new ATOM 364 N GLU A 29 -8.032 3.335 1.829 1.00 0.00 N ATOM 365 CA GLU A 29 -6.771 4.032 2.200 1.00 0.00 C ATOM 366 C GLU A 29 -5.576 3.130 1.874 1.00 0.00 C ATOM 367 O GLU A 29 -5.699 1.923 1.812 1.00 0.00 O ATOM 368 CB GLU A 29 -6.795 4.344 3.699 1.00 0.00 C ATOM 369 CG GLU A 29 -5.630 5.271 4.053 1.00 0.00 C ATOM 370 CD GLU A 29 -5.318 5.152 5.545 1.00 0.00 C ATOM 371 OE1 GLU A 29 -6.250 4.993 6.316 1.00 0.00 O ATOM 372 OE2 GLU A 29 -4.150 5.222 5.892 1.00 0.00 O ATOM 0 H GLU A 29 -7.936 2.339 1.632 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.680 4.961 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.741 4.815 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.725 3.420 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.751 5.008 3.465 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.883 6.302 3.805 1.00 0.00 H new ATOM 379 N GLY A 30 -4.423 3.706 1.662 1.00 0.00 N ATOM 380 CA GLY A 30 -3.225 2.881 1.338 1.00 0.00 C ATOM 381 C GLY A 30 -2.152 3.771 0.704 1.00 0.00 C ATOM 382 O GLY A 30 -2.418 4.883 0.295 1.00 0.00 O ATOM 0 H GLY A 30 -4.260 4.712 1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.837 2.412 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.497 2.077 0.654 1.00 0.00 H new ATOM 386 N LEU A 31 -0.939 3.293 0.628 1.00 0.00 N ATOM 387 CA LEU A 31 0.150 4.116 0.030 1.00 0.00 C ATOM 388 C LEU A 31 -0.074 4.251 -1.476 1.00 0.00 C ATOM 389 O LEU A 31 0.332 5.219 -2.089 1.00 0.00 O ATOM 390 CB LEU A 31 1.501 3.441 0.281 1.00 0.00 C ATOM 391 CG LEU A 31 2.070 3.906 1.623 1.00 0.00 C ATOM 392 CD1 LEU A 31 3.482 3.346 1.800 1.00 0.00 C ATOM 393 CD2 LEU A 31 2.121 5.435 1.656 1.00 0.00 C ATOM 0 H LEU A 31 -0.656 2.369 0.954 1.00 0.00 H new ATOM 0 HA LEU A 31 0.144 5.105 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.382 2.357 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.195 3.685 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 31 1.432 3.547 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.888 3.677 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.447 2.257 1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.120 3.704 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.526 5.765 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.758 5.795 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.115 5.835 1.531 1.00 0.00 H new ATOM 405 N CYS A 32 -0.712 3.288 -2.081 1.00 0.00 N ATOM 406 CA CYS A 32 -0.950 3.368 -3.548 1.00 0.00 C ATOM 407 C CYS A 32 -2.452 3.369 -3.827 1.00 0.00 C ATOM 408 O CYS A 32 -2.951 2.579 -4.605 1.00 0.00 O ATOM 409 CB CYS A 32 -0.293 2.171 -4.234 1.00 0.00 C ATOM 410 SG CYS A 32 1.503 2.383 -4.199 1.00 0.00 S ATOM 0 H CYS A 32 -1.077 2.452 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.517 4.289 -3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.573 1.247 -3.728 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.642 2.089 -5.263 1.00 0.00 H new ATOM 415 N CYS A 33 -3.176 4.255 -3.202 1.00 0.00 N ATOM 416 CA CYS A 33 -4.645 4.315 -3.433 1.00 0.00 C ATOM 417 C CYS A 33 -5.014 5.696 -3.979 1.00 0.00 C ATOM 418 O CYS A 33 -5.141 6.654 -3.242 1.00 0.00 O ATOM 419 CB CYS A 33 -5.379 4.061 -2.115 1.00 0.00 C ATOM 420 SG CYS A 33 -5.324 2.293 -1.735 1.00 0.00 S ATOM 0 H CYS A 33 -2.813 4.941 -2.540 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.936 3.553 -4.156 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.916 4.633 -1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.413 4.397 -2.190 1.00 0.00 H new ATOM 425 N GLU A 34 -5.190 5.802 -5.269 1.00 0.00 N ATOM 426 CA GLU A 34 -5.552 7.112 -5.870 1.00 0.00 C ATOM 427 C GLU A 34 -7.072 7.201 -5.967 1.00 0.00 C ATOM 428 O GLU A 34 -7.708 6.369 -6.575 1.00 0.00 O ATOM 429 CB GLU A 34 -4.941 7.220 -7.269 1.00 0.00 C ATOM 430 CG GLU A 34 -5.369 8.540 -7.914 1.00 0.00 C ATOM 431 CD GLU A 34 -4.216 9.097 -8.752 1.00 0.00 C ATOM 432 OE1 GLU A 34 -3.205 9.453 -8.169 1.00 0.00 O ATOM 433 OE2 GLU A 34 -4.364 9.156 -9.960 1.00 0.00 O ATOM 0 H GLU A 34 -5.098 5.033 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.171 7.924 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.854 7.169 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.265 6.381 -7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.246 8.382 -8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.653 9.258 -7.144 1.00 0.00 H new ATOM 440 N GLN A 35 -7.651 8.196 -5.359 1.00 0.00 N ATOM 441 CA GLN A 35 -9.132 8.348 -5.394 1.00 0.00 C ATOM 442 C GLN A 35 -9.788 7.124 -4.744 1.00 0.00 C ATOM 443 O GLN A 35 -10.844 6.679 -5.150 1.00 0.00 O ATOM 444 CB GLN A 35 -9.610 8.540 -6.849 1.00 0.00 C ATOM 445 CG GLN A 35 -9.946 7.200 -7.526 1.00 0.00 C ATOM 446 CD GLN A 35 -11.436 7.169 -7.873 1.00 0.00 C ATOM 447 OE1 GLN A 35 -12.266 7.543 -7.068 1.00 0.00 O ATOM 448 NE2 GLN A 35 -11.812 6.735 -9.044 1.00 0.00 N ATOM 0 H GLN A 35 -7.157 8.918 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.425 9.233 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.490 9.183 -6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.835 9.051 -7.421 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.348 7.075 -8.429 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.698 6.372 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.115 6.421 -9.719 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.803 6.709 -9.284 1.00 0.00 H new ATOM 457 N CYS A 36 -9.161 6.585 -3.732 1.00 0.00 N ATOM 458 CA CYS A 36 -9.727 5.393 -3.038 1.00 0.00 C ATOM 459 C CYS A 36 -9.717 4.188 -3.981 1.00 0.00 C ATOM 460 O CYS A 36 -10.355 3.186 -3.727 1.00 0.00 O ATOM 461 CB CYS A 36 -11.165 5.678 -2.602 1.00 0.00 C ATOM 462 SG CYS A 36 -11.186 6.195 -0.868 1.00 0.00 S ATOM 0 H CYS A 36 -8.275 6.922 -3.355 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.117 5.175 -2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.598 6.458 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.778 4.787 -2.733 1.00 0.00 H new ATOM 467 N LYS A 37 -8.999 4.273 -5.066 1.00 0.00 N ATOM 468 CA LYS A 37 -8.954 3.125 -6.016 1.00 0.00 C ATOM 469 C LYS A 37 -7.547 2.528 -6.023 1.00 0.00 C ATOM 470 O LYS A 37 -6.593 3.155 -5.608 1.00 0.00 O ATOM 471 CB LYS A 37 -9.308 3.608 -7.424 1.00 0.00 C ATOM 472 CG LYS A 37 -10.720 3.141 -7.785 1.00 0.00 C ATOM 473 CD LYS A 37 -11.196 3.879 -9.037 1.00 0.00 C ATOM 474 CE LYS A 37 -11.283 2.898 -10.206 1.00 0.00 C ATOM 475 NZ LYS A 37 -11.600 3.642 -11.457 1.00 0.00 N ATOM 0 H LYS A 37 -8.443 5.084 -5.336 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.672 2.367 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.250 4.695 -7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.589 3.218 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.725 2.065 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.401 3.332 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.170 4.333 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.507 4.689 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.339 2.364 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.051 2.150 -10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.659 2.975 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.511 4.132 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.852 4.339 -11.645 1.00 0.00 H new ATOM 489 N PHE A 38 -7.409 1.318 -6.492 1.00 0.00 N ATOM 490 CA PHE A 38 -6.062 0.686 -6.527 1.00 0.00 C ATOM 491 C PHE A 38 -5.209 1.365 -7.597 1.00 0.00 C ATOM 492 O PHE A 38 -5.541 1.360 -8.765 1.00 0.00 O ATOM 493 CB PHE A 38 -6.201 -0.801 -6.863 1.00 0.00 C ATOM 494 CG PHE A 38 -6.796 -1.541 -5.688 1.00 0.00 C ATOM 495 CD1 PHE A 38 -6.409 -1.219 -4.380 1.00 0.00 C ATOM 496 CD2 PHE A 38 -7.734 -2.554 -5.908 1.00 0.00 C ATOM 497 CE1 PHE A 38 -6.964 -1.911 -3.296 1.00 0.00 C ATOM 498 CE2 PHE A 38 -8.289 -3.246 -4.824 1.00 0.00 C ATOM 499 CZ PHE A 38 -7.903 -2.923 -3.519 1.00 0.00 C ATOM 0 H PHE A 38 -8.170 0.742 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.586 0.797 -5.553 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.834 -0.927 -7.741 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.226 -1.219 -7.111 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.683 -0.438 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.031 -2.804 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.667 -1.663 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.014 -4.028 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.331 -3.456 -2.683 1.00 0.00 H new ATOM 509 N SER A 39 -4.109 1.947 -7.209 1.00 0.00 N ATOM 510 CA SER A 39 -3.234 2.622 -8.207 1.00 0.00 C ATOM 511 C SER A 39 -2.776 1.598 -9.247 1.00 0.00 C ATOM 512 O SER A 39 -3.214 0.465 -9.250 1.00 0.00 O ATOM 513 CB SER A 39 -2.015 3.213 -7.499 1.00 0.00 C ATOM 514 OG SER A 39 -2.300 4.550 -7.112 1.00 0.00 O ATOM 0 H SER A 39 -3.778 1.984 -6.245 1.00 0.00 H new ATOM 0 HA SER A 39 -3.787 3.422 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.763 2.615 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.149 3.190 -8.161 1.00 0.00 H new ATOM 0 HG SER A 39 -1.873 4.739 -6.250 1.00 0.00 H new ATOM 520 N ARG A 40 -1.896 1.986 -10.127 1.00 0.00 N ATOM 521 CA ARG A 40 -1.410 1.030 -11.161 1.00 0.00 C ATOM 522 C ARG A 40 0.005 0.574 -10.803 1.00 0.00 C ATOM 523 O ARG A 40 0.783 1.322 -10.245 1.00 0.00 O ATOM 524 CB ARG A 40 -1.392 1.722 -12.526 1.00 0.00 C ATOM 525 CG ARG A 40 -2.221 0.911 -13.522 1.00 0.00 C ATOM 526 CD ARG A 40 -1.898 1.369 -14.945 1.00 0.00 C ATOM 527 NE ARG A 40 -1.796 0.182 -15.839 1.00 0.00 N ATOM 528 CZ ARG A 40 -1.217 0.290 -17.003 1.00 0.00 C ATOM 529 NH1 ARG A 40 -0.942 1.470 -17.490 1.00 0.00 N ATOM 530 NH2 ARG A 40 -0.912 -0.781 -17.683 1.00 0.00 N ATOM 0 H ARG A 40 -1.493 2.922 -10.175 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.073 0.166 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.795 2.731 -12.439 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.367 1.818 -12.883 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.004 -0.152 -13.412 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.284 1.042 -13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.674 2.044 -15.306 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.961 1.926 -14.955 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.179 -0.715 -15.541 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.180 2.308 -16.960 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.489 1.553 -18.400 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.126 -1.704 -17.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.459 -0.696 -18.593 1.00 0.00 H new ATOM 544 N ALA A 41 0.347 -0.645 -11.123 1.00 0.00 N ATOM 545 CA ALA A 41 1.717 -1.139 -10.802 1.00 0.00 C ATOM 546 C ALA A 41 2.734 -0.065 -11.178 1.00 0.00 C ATOM 547 O ALA A 41 2.416 0.892 -11.857 1.00 0.00 O ATOM 548 CB ALA A 41 1.998 -2.417 -11.592 1.00 0.00 C ATOM 0 H ALA A 41 -0.260 -1.318 -11.591 1.00 0.00 H new ATOM 0 HA ALA A 41 1.792 -1.356 -9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.999 -2.777 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.266 -3.179 -11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.929 -2.207 -12.659 1.00 0.00 H new ATOM 554 N GLY A 42 3.950 -0.200 -10.733 1.00 0.00 N ATOM 555 CA GLY A 42 4.966 0.834 -11.061 1.00 0.00 C ATOM 556 C GLY A 42 4.619 2.109 -10.288 1.00 0.00 C ATOM 557 O GLY A 42 5.016 3.198 -10.650 1.00 0.00 O ATOM 0 H GLY A 42 4.282 -0.976 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.963 0.486 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.976 1.030 -12.133 1.00 0.00 H new ATOM 561 N LYS A 43 3.861 1.975 -9.229 1.00 0.00 N ATOM 562 CA LYS A 43 3.466 3.175 -8.432 1.00 0.00 C ATOM 563 C LYS A 43 4.456 3.388 -7.284 1.00 0.00 C ATOM 564 O LYS A 43 4.492 2.633 -6.333 1.00 0.00 O ATOM 565 CB LYS A 43 2.056 2.962 -7.869 1.00 0.00 C ATOM 566 CG LYS A 43 1.785 3.968 -6.748 1.00 0.00 C ATOM 567 CD LYS A 43 1.885 5.390 -7.300 1.00 0.00 C ATOM 568 CE LYS A 43 0.486 5.900 -7.654 1.00 0.00 C ATOM 569 NZ LYS A 43 0.454 6.305 -9.088 1.00 0.00 N ATOM 0 H LYS A 43 3.499 1.087 -8.882 1.00 0.00 H new ATOM 0 HA LYS A 43 3.475 4.057 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.317 3.080 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.957 1.945 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.794 3.800 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.503 3.829 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.347 6.046 -6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.523 5.404 -8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.254 5.122 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.225 6.747 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.496 6.652 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.150 7.060 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.686 5.486 -9.685 1.00 0.00 H new ATOM 583 N ILE A 44 5.256 4.417 -7.363 1.00 0.00 N ATOM 584 CA ILE A 44 6.243 4.686 -6.278 1.00 0.00 C ATOM 585 C ILE A 44 5.520 4.763 -4.929 1.00 0.00 C ATOM 586 O ILE A 44 4.590 5.526 -4.751 1.00 0.00 O ATOM 587 CB ILE A 44 6.974 6.009 -6.582 1.00 0.00 C ATOM 588 CG1 ILE A 44 8.276 5.697 -7.316 1.00 0.00 C ATOM 589 CG2 ILE A 44 7.303 6.765 -5.287 1.00 0.00 C ATOM 590 CD1 ILE A 44 9.214 4.943 -6.373 1.00 0.00 C ATOM 0 H ILE A 44 5.268 5.085 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 44 6.974 3.879 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 44 6.324 6.633 -7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.073 5.097 -8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.746 6.620 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.818 7.694 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 44 6.380 6.990 -4.753 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.945 6.148 -4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.146 4.717 -6.891 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.425 5.560 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.741 4.014 -6.055 1.00 0.00 H new ATOM 602 N CYS A 45 5.946 3.977 -3.980 1.00 0.00 N ATOM 603 CA CYS A 45 5.294 3.998 -2.640 1.00 0.00 C ATOM 604 C CYS A 45 6.337 4.289 -1.552 1.00 0.00 C ATOM 605 O CYS A 45 6.002 4.479 -0.400 1.00 0.00 O ATOM 606 CB CYS A 45 4.649 2.640 -2.376 1.00 0.00 C ATOM 607 SG CYS A 45 5.828 1.326 -2.764 1.00 0.00 S ATOM 0 H CYS A 45 6.720 3.319 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 45 4.534 4.779 -2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.340 2.569 -1.333 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.751 2.528 -2.983 1.00 0.00 H new ATOM 612 N ARG A 46 7.596 4.326 -1.902 1.00 0.00 N ATOM 613 CA ARG A 46 8.643 4.604 -0.880 1.00 0.00 C ATOM 614 C ARG A 46 9.927 5.069 -1.572 1.00 0.00 C ATOM 615 O ARG A 46 10.045 5.022 -2.780 1.00 0.00 O ATOM 616 CB ARG A 46 8.929 3.329 -0.087 1.00 0.00 C ATOM 617 CG ARG A 46 8.685 3.586 1.401 1.00 0.00 C ATOM 618 CD ARG A 46 8.496 2.251 2.121 1.00 0.00 C ATOM 619 NE ARG A 46 7.490 2.410 3.210 1.00 0.00 N ATOM 620 CZ ARG A 46 7.788 2.055 4.429 1.00 0.00 C ATOM 621 NH1 ARG A 46 8.458 2.867 5.201 1.00 0.00 N ATOM 622 NH2 ARG A 46 7.416 0.888 4.878 1.00 0.00 N ATOM 0 H ARG A 46 7.942 4.176 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 46 8.292 5.385 -0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.288 2.520 -0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.959 3.012 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.527 4.128 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.802 4.212 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.166 1.489 1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.445 1.912 2.535 1.00 0.00 H new ATOM 0 HE ARG A 46 6.569 2.796 3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.749 3.780 4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.691 2.589 6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.892 0.253 4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.649 0.610 5.831 1.00 0.00 H new ATOM 636 N ILE A 47 10.891 5.517 -0.814 1.00 0.00 N ATOM 637 CA ILE A 47 12.167 5.982 -1.428 1.00 0.00 C ATOM 638 C ILE A 47 13.351 5.329 -0.703 1.00 0.00 C ATOM 639 O ILE A 47 13.322 5.166 0.501 1.00 0.00 O ATOM 640 CB ILE A 47 12.260 7.506 -1.310 1.00 0.00 C ATOM 641 CG1 ILE A 47 13.319 8.026 -2.282 1.00 0.00 C ATOM 642 CG2 ILE A 47 12.645 7.896 0.120 1.00 0.00 C ATOM 643 CD1 ILE A 47 13.166 9.538 -2.443 1.00 0.00 C ATOM 0 H ILE A 47 10.850 5.581 0.203 1.00 0.00 H new ATOM 0 HA ILE A 47 12.193 5.700 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 47 11.292 7.945 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.316 7.788 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 47 13.213 7.534 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.709 8.981 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.889 7.528 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.611 7.457 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.921 9.908 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.174 9.764 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.294 10.022 -1.475 1.00 0.00 H new ATOM 655 N PRO A 48 14.359 4.970 -1.458 1.00 0.00 N ATOM 656 CA PRO A 48 15.567 4.328 -0.914 1.00 0.00 C ATOM 657 C PRO A 48 16.514 5.383 -0.334 1.00 0.00 C ATOM 658 O PRO A 48 16.836 6.362 -0.980 1.00 0.00 O ATOM 659 CB PRO A 48 16.191 3.651 -2.135 1.00 0.00 C ATOM 660 CG PRO A 48 15.648 4.399 -3.378 1.00 0.00 C ATOM 661 CD PRO A 48 14.390 5.164 -2.921 1.00 0.00 C ATOM 0 HA PRO A 48 15.356 3.629 -0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 48 17.279 3.705 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 48 15.925 2.595 -2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 48 16.396 5.086 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 48 15.406 3.698 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 48 14.450 6.221 -3.181 1.00 0.00 H new ATOM 0 HD3 PRO A 48 13.491 4.770 -3.394 1.00 0.00 H new ATOM 669 N ARG A 49 16.963 5.193 0.876 1.00 0.00 N ATOM 670 CA ARG A 49 17.890 6.186 1.489 1.00 0.00 C ATOM 671 C ARG A 49 19.302 5.599 1.541 1.00 0.00 C ATOM 672 O ARG A 49 19.595 4.731 2.341 1.00 0.00 O ATOM 673 CB ARG A 49 17.418 6.518 2.907 1.00 0.00 C ATOM 674 CG ARG A 49 16.945 7.972 2.956 1.00 0.00 C ATOM 675 CD ARG A 49 16.046 8.180 4.177 1.00 0.00 C ATOM 676 NE ARG A 49 14.984 7.136 4.196 1.00 0.00 N ATOM 677 CZ ARG A 49 14.215 7.010 5.242 1.00 0.00 C ATOM 678 NH1 ARG A 49 14.742 6.863 6.427 1.00 0.00 N ATOM 679 NH2 ARG A 49 12.917 7.031 5.104 1.00 0.00 N ATOM 0 H ARG A 49 16.729 4.395 1.466 1.00 0.00 H new ATOM 0 HA ARG A 49 17.898 7.096 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.607 5.850 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.230 6.364 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.803 8.642 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.400 8.218 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.638 8.128 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.595 9.172 4.145 1.00 0.00 H new ATOM 0 HE ARG A 49 14.858 6.521 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.756 6.847 6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.140 6.765 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.504 7.146 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.316 6.932 5.922 1.00 0.00 H new ATOM 693 N GLY A 50 20.178 6.064 0.694 1.00 0.00 N ATOM 694 CA GLY A 50 21.570 5.532 0.694 1.00 0.00 C ATOM 695 C GLY A 50 21.973 5.157 -0.734 1.00 0.00 C ATOM 696 O GLY A 50 22.724 5.860 -1.381 1.00 0.00 O ATOM 0 H GLY A 50 19.990 6.789 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.256 6.279 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.637 4.659 1.343 1.00 0.00 H new ATOM 700 N GLU A 51 21.481 4.055 -1.230 1.00 0.00 N ATOM 701 CA GLU A 51 21.837 3.635 -2.616 1.00 0.00 C ATOM 702 C GLU A 51 21.018 2.401 -3.001 1.00 0.00 C ATOM 703 O GLU A 51 21.558 1.375 -3.367 1.00 0.00 O ATOM 704 CB GLU A 51 23.329 3.298 -2.679 1.00 0.00 C ATOM 705 CG GLU A 51 23.807 3.352 -4.131 1.00 0.00 C ATOM 706 CD GLU A 51 24.034 4.808 -4.541 1.00 0.00 C ATOM 707 OE1 GLU A 51 23.060 5.535 -4.637 1.00 0.00 O ATOM 708 OE2 GLU A 51 25.180 5.172 -4.752 1.00 0.00 O ATOM 0 H GLU A 51 20.848 3.427 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 51 21.618 4.447 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.897 4.003 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.506 2.306 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.731 2.784 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.068 2.890 -4.786 1.00 0.00 H new ATOM 715 N MET A 52 19.718 2.489 -2.921 1.00 0.00 N ATOM 716 CA MET A 52 18.867 1.320 -3.282 1.00 0.00 C ATOM 717 C MET A 52 17.766 1.777 -4.246 1.00 0.00 C ATOM 718 O MET A 52 17.552 2.960 -4.421 1.00 0.00 O ATOM 719 CB MET A 52 18.224 0.726 -2.019 1.00 0.00 C ATOM 720 CG MET A 52 18.991 1.174 -0.770 1.00 0.00 C ATOM 721 SD MET A 52 18.487 0.158 0.642 1.00 0.00 S ATOM 722 CE MET A 52 19.995 0.358 1.621 1.00 0.00 C ATOM 0 H MET A 52 19.209 3.320 -2.621 1.00 0.00 H new ATOM 0 HA MET A 52 19.485 0.559 -3.758 1.00 0.00 H new ATOM 0 HB2 MET A 52 17.184 1.044 -1.949 1.00 0.00 H new ATOM 0 HB3 MET A 52 18.221 -0.362 -2.082 1.00 0.00 H new ATOM 0 HG2 MET A 52 20.064 1.080 -0.935 1.00 0.00 H new ATOM 0 HG3 MET A 52 18.791 2.226 -0.565 1.00 0.00 H new ATOM 0 HE1 MET A 52 19.900 -0.198 2.554 1.00 0.00 H new ATOM 0 HE2 MET A 52 20.847 -0.022 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 52 20.148 1.414 1.842 1.00 0.00 H new ATOM 732 N PRO A 53 17.100 0.821 -4.844 1.00 0.00 N ATOM 733 CA PRO A 53 16.009 1.090 -5.799 1.00 0.00 C ATOM 734 C PRO A 53 14.726 1.469 -5.054 1.00 0.00 C ATOM 735 O PRO A 53 14.471 1.002 -3.961 1.00 0.00 O ATOM 736 CB PRO A 53 15.841 -0.242 -6.535 1.00 0.00 C ATOM 737 CG PRO A 53 16.422 -1.332 -5.605 1.00 0.00 C ATOM 738 CD PRO A 53 17.369 -0.615 -4.623 1.00 0.00 C ATOM 0 HA PRO A 53 16.223 1.920 -6.473 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.790 -0.436 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 53 16.366 -0.227 -7.490 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.626 -1.848 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.959 -2.086 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 53 17.167 -0.904 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 53 18.412 -0.861 -4.824 1.00 0.00 H new ATOM 746 N ASP A 54 13.917 2.310 -5.636 1.00 0.00 N ATOM 747 CA ASP A 54 12.654 2.717 -4.959 1.00 0.00 C ATOM 748 C ASP A 54 11.673 1.544 -4.962 1.00 0.00 C ATOM 749 O ASP A 54 11.989 0.458 -5.404 1.00 0.00 O ATOM 750 CB ASP A 54 12.033 3.903 -5.702 1.00 0.00 C ATOM 751 CG ASP A 54 13.065 5.025 -5.822 1.00 0.00 C ATOM 752 OD1 ASP A 54 13.943 4.910 -6.661 1.00 0.00 O ATOM 753 OD2 ASP A 54 12.959 5.982 -5.071 1.00 0.00 O ATOM 0 H ASP A 54 14.076 2.733 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 54 12.872 3.007 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.701 3.592 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.152 4.260 -5.168 1.00 0.00 H new ATOM 758 N ASP A 55 10.484 1.754 -4.468 1.00 0.00 N ATOM 759 CA ASP A 55 9.483 0.652 -4.440 1.00 0.00 C ATOM 760 C ASP A 55 8.266 1.052 -5.274 1.00 0.00 C ATOM 761 O ASP A 55 7.812 2.178 -5.224 1.00 0.00 O ATOM 762 CB ASP A 55 9.052 0.398 -2.994 1.00 0.00 C ATOM 763 CG ASP A 55 9.997 -0.619 -2.350 1.00 0.00 C ATOM 764 OD1 ASP A 55 11.032 -0.889 -2.936 1.00 0.00 O ATOM 765 OD2 ASP A 55 9.669 -1.110 -1.283 1.00 0.00 O ATOM 0 H ASP A 55 10.163 2.642 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 55 9.923 -0.255 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.066 1.331 -2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.028 0.025 -2.969 1.00 0.00 H new ATOM 770 N ARG A 56 7.733 0.143 -6.044 1.00 0.00 N ATOM 771 CA ARG A 56 6.547 0.482 -6.880 1.00 0.00 C ATOM 772 C ARG A 56 5.443 -0.548 -6.658 1.00 0.00 C ATOM 773 O ARG A 56 5.614 -1.723 -6.914 1.00 0.00 O ATOM 774 CB ARG A 56 6.943 0.492 -8.355 1.00 0.00 C ATOM 775 CG ARG A 56 8.272 1.229 -8.531 1.00 0.00 C ATOM 776 CD ARG A 56 8.104 2.337 -9.571 1.00 0.00 C ATOM 777 NE ARG A 56 9.358 3.136 -9.657 1.00 0.00 N ATOM 778 CZ ARG A 56 9.579 3.892 -10.697 1.00 0.00 C ATOM 779 NH1 ARG A 56 8.590 4.526 -11.266 1.00 0.00 N ATOM 780 NH2 ARG A 56 10.790 4.011 -11.171 1.00 0.00 N ATOM 0 H ARG A 56 8.066 -0.817 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 56 6.182 1.468 -6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.032 -0.530 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.167 0.978 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.594 1.653 -7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.048 0.532 -8.848 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.869 1.904 -10.543 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.268 2.981 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 56 10.044 3.092 -8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.644 4.431 -10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.764 5.117 -12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.562 3.513 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.964 4.602 -11.984 1.00 0.00 H new ATOM 794 N CYS A 57 4.306 -0.112 -6.192 1.00 0.00 N ATOM 795 CA CYS A 57 3.183 -1.061 -5.961 1.00 0.00 C ATOM 796 C CYS A 57 2.902 -1.823 -7.254 1.00 0.00 C ATOM 797 O CYS A 57 3.309 -1.412 -8.325 1.00 0.00 O ATOM 798 CB CYS A 57 1.934 -0.280 -5.550 1.00 0.00 C ATOM 799 SG CYS A 57 2.220 0.512 -3.949 1.00 0.00 S ATOM 0 H CYS A 57 4.106 0.861 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 57 3.449 -1.762 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.698 0.472 -6.303 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.077 -0.950 -5.489 1.00 0.00 H new ATOM 804 N THR A 58 2.213 -2.929 -7.164 1.00 0.00 N ATOM 805 CA THR A 58 1.906 -3.721 -8.389 1.00 0.00 C ATOM 806 C THR A 58 0.564 -3.275 -8.969 1.00 0.00 C ATOM 807 O THR A 58 -0.047 -3.975 -9.752 1.00 0.00 O ATOM 808 CB THR A 58 1.834 -5.208 -8.031 1.00 0.00 C ATOM 809 OG1 THR A 58 0.638 -5.461 -7.308 1.00 0.00 O ATOM 810 CG2 THR A 58 3.041 -5.589 -7.172 1.00 0.00 C ATOM 0 H THR A 58 1.849 -3.318 -6.294 1.00 0.00 H new ATOM 0 HA THR A 58 2.691 -3.559 -9.127 1.00 0.00 H new ATOM 0 HB THR A 58 1.841 -5.802 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.589 -6.413 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.987 -6.648 -6.918 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.959 -5.395 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.038 -4.996 -6.257 1.00 0.00 H new ATOM 818 N GLY A 59 0.098 -2.115 -8.594 1.00 0.00 N ATOM 819 CA GLY A 59 -1.205 -1.632 -9.129 1.00 0.00 C ATOM 820 C GLY A 59 -2.344 -2.224 -8.297 1.00 0.00 C ATOM 821 O GLY A 59 -3.150 -1.511 -7.733 1.00 0.00 O ATOM 0 H GLY A 59 0.562 -1.483 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.243 -0.543 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.313 -1.924 -10.174 1.00 0.00 H new ATOM 825 N GLN A 60 -2.413 -3.525 -8.214 1.00 0.00 N ATOM 826 CA GLN A 60 -3.496 -4.164 -7.415 1.00 0.00 C ATOM 827 C GLN A 60 -3.108 -4.159 -5.934 1.00 0.00 C ATOM 828 O GLN A 60 -3.805 -4.700 -5.099 1.00 0.00 O ATOM 829 CB GLN A 60 -3.692 -5.607 -7.886 1.00 0.00 C ATOM 830 CG GLN A 60 -3.654 -5.656 -9.415 1.00 0.00 C ATOM 831 CD GLN A 60 -4.813 -6.513 -9.929 1.00 0.00 C ATOM 832 OE1 GLN A 60 -5.324 -6.282 -11.006 1.00 0.00 O ATOM 833 NE2 GLN A 60 -5.253 -7.502 -9.198 1.00 0.00 N ATOM 0 H GLN A 60 -1.766 -4.172 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.424 -3.608 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.911 -6.245 -7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.645 -5.993 -7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.725 -4.648 -9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.704 -6.071 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.825 -7.697 -8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.025 -8.079 -9.532 1.00 0.00 H new ATOM 842 N SER A 61 -2.000 -3.552 -5.600 1.00 0.00 N ATOM 843 CA SER A 61 -1.575 -3.516 -4.174 1.00 0.00 C ATOM 844 C SER A 61 -1.826 -2.119 -3.599 1.00 0.00 C ATOM 845 O SER A 61 -0.950 -1.278 -3.584 1.00 0.00 O ATOM 846 CB SER A 61 -0.086 -3.848 -4.077 1.00 0.00 C ATOM 847 OG SER A 61 0.423 -3.366 -2.840 1.00 0.00 O ATOM 0 H SER A 61 -1.374 -3.081 -6.253 1.00 0.00 H new ATOM 0 HA SER A 61 -2.148 -4.249 -3.607 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.064 -4.925 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.455 -3.394 -4.908 1.00 0.00 H new ATOM 0 HG SER A 61 0.491 -2.389 -2.873 1.00 0.00 H new ATOM 853 N ALA A 62 -3.016 -1.868 -3.126 1.00 0.00 N ATOM 854 CA ALA A 62 -3.322 -0.527 -2.551 1.00 0.00 C ATOM 855 C ALA A 62 -2.202 -0.116 -1.594 1.00 0.00 C ATOM 856 O ALA A 62 -1.844 1.041 -1.503 1.00 0.00 O ATOM 857 CB ALA A 62 -4.647 -0.592 -1.789 1.00 0.00 C ATOM 0 H ALA A 62 -3.789 -2.533 -3.113 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.400 0.206 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.873 0.388 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.445 -0.886 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.569 -1.324 -0.985 1.00 0.00 H new ATOM 863 N ASP A 63 -1.641 -1.055 -0.884 1.00 0.00 N ATOM 864 CA ASP A 63 -0.538 -0.717 0.060 1.00 0.00 C ATOM 865 C ASP A 63 0.801 -0.902 -0.654 1.00 0.00 C ATOM 866 O ASP A 63 0.851 -1.116 -1.849 1.00 0.00 O ATOM 867 CB ASP A 63 -0.600 -1.643 1.277 1.00 0.00 C ATOM 868 CG ASP A 63 -2.061 -1.957 1.608 1.00 0.00 C ATOM 869 OD1 ASP A 63 -2.578 -2.917 1.062 1.00 0.00 O ATOM 870 OD2 ASP A 63 -2.635 -1.234 2.405 1.00 0.00 O ATOM 0 H ASP A 63 -1.898 -2.042 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.642 0.316 0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.056 -2.565 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.116 -1.170 2.132 1.00 0.00 H new ATOM 875 N CYS A 64 1.888 -0.825 0.063 1.00 0.00 N ATOM 876 CA CYS A 64 3.213 -1.003 -0.591 1.00 0.00 C ATOM 877 C CYS A 64 4.031 -2.042 0.167 1.00 0.00 C ATOM 878 O CYS A 64 4.514 -1.787 1.253 1.00 0.00 O ATOM 879 CB CYS A 64 3.959 0.326 -0.615 1.00 0.00 C ATOM 880 SG CYS A 64 5.648 0.053 -1.210 1.00 0.00 S ATOM 0 H CYS A 64 1.916 -0.648 1.067 1.00 0.00 H new ATOM 0 HA CYS A 64 3.062 -1.347 -1.614 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.443 1.034 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.979 0.763 0.383 1.00 0.00 H new ATOM 885 N PRO A 65 4.155 -3.192 -0.439 1.00 0.00 N ATOM 886 CA PRO A 65 4.901 -4.315 0.131 1.00 0.00 C ATOM 887 C PRO A 65 6.398 -4.152 -0.144 1.00 0.00 C ATOM 888 O PRO A 65 6.875 -3.068 -0.416 1.00 0.00 O ATOM 889 CB PRO A 65 4.337 -5.521 -0.617 1.00 0.00 C ATOM 890 CG PRO A 65 3.725 -4.994 -1.933 1.00 0.00 C ATOM 891 CD PRO A 65 3.553 -3.481 -1.760 1.00 0.00 C ATOM 0 HA PRO A 65 4.800 -4.401 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.122 -6.249 -0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.581 -6.028 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.375 -5.216 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.766 -5.473 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.056 -2.930 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.502 -3.194 -1.789 1.00 0.00 H new ATOM 899 N ARG A 66 7.142 -5.222 -0.081 1.00 0.00 N ATOM 900 CA ARG A 66 8.605 -5.125 -0.344 1.00 0.00 C ATOM 901 C ARG A 66 8.862 -5.310 -1.839 1.00 0.00 C ATOM 902 O ARG A 66 8.004 -5.753 -2.576 1.00 0.00 O ATOM 903 CB ARG A 66 9.339 -6.214 0.440 1.00 0.00 C ATOM 904 CG ARG A 66 8.673 -7.567 0.185 1.00 0.00 C ATOM 905 CD ARG A 66 9.694 -8.687 0.394 1.00 0.00 C ATOM 906 NE ARG A 66 10.163 -8.674 1.808 1.00 0.00 N ATOM 907 CZ ARG A 66 11.438 -8.763 2.072 1.00 0.00 C ATOM 908 NH1 ARG A 66 12.178 -9.622 1.427 1.00 0.00 N ATOM 909 NH2 ARG A 66 11.971 -7.993 2.980 1.00 0.00 N ATOM 0 H ARG A 66 6.801 -6.157 0.141 1.00 0.00 H new ATOM 0 HA ARG A 66 8.969 -4.147 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.386 -6.250 0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.322 -5.984 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.828 -7.701 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.279 -7.605 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.245 -9.652 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.539 -8.554 -0.282 1.00 0.00 H new ATOM 0 HE ARG A 66 9.488 -8.596 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.760 -10.223 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.175 -9.692 1.633 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.391 -7.322 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.967 -8.062 3.187 1.00 0.00 H new ATOM 923 N TYR A 67 10.037 -4.974 -2.294 1.00 0.00 N ATOM 924 CA TYR A 67 10.341 -5.135 -3.746 1.00 0.00 C ATOM 925 C TYR A 67 10.599 -6.611 -4.053 1.00 0.00 C ATOM 926 O TYR A 67 11.698 -7.004 -4.390 1.00 0.00 O ATOM 927 CB TYR A 67 11.575 -4.305 -4.130 1.00 0.00 C ATOM 928 CG TYR A 67 12.552 -4.254 -2.977 1.00 0.00 C ATOM 929 CD1 TYR A 67 12.846 -5.414 -2.251 1.00 0.00 C ATOM 930 CD2 TYR A 67 13.162 -3.040 -2.634 1.00 0.00 C ATOM 931 CE1 TYR A 67 13.750 -5.362 -1.183 1.00 0.00 C ATOM 932 CE2 TYR A 67 14.065 -2.988 -1.565 1.00 0.00 C ATOM 933 CZ TYR A 67 14.359 -4.149 -0.841 1.00 0.00 C ATOM 934 OH TYR A 67 15.250 -4.096 0.212 1.00 0.00 O ATOM 0 H TYR A 67 10.797 -4.597 -1.728 1.00 0.00 H new ATOM 0 HA TYR A 67 9.488 -4.783 -4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.057 -4.741 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 67 11.271 -3.294 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 67 12.375 -6.350 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.936 -2.145 -3.194 1.00 0.00 H new ATOM 0 HE1 TYR A 67 13.977 -6.257 -0.623 1.00 0.00 H new ATOM 0 HE2 TYR A 67 14.534 -2.052 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 67 15.582 -3.179 0.314 1.00 0.00 H new ATOM 944 N HIS A 68 9.589 -7.432 -3.942 1.00 0.00 N ATOM 945 CA HIS A 68 9.768 -8.883 -4.228 1.00 0.00 C ATOM 946 C HIS A 68 10.797 -9.474 -3.262 1.00 0.00 C ATOM 947 O HIS A 68 10.397 -9.917 -2.199 1.00 0.00 O ATOM 948 CB HIS A 68 10.257 -9.063 -5.667 1.00 0.00 C ATOM 949 CG HIS A 68 10.018 -10.484 -6.105 1.00 0.00 C ATOM 950 ND1 HIS A 68 11.030 -11.278 -6.622 1.00 0.00 N ATOM 951 CD2 HIS A 68 8.889 -11.265 -6.107 1.00 0.00 C ATOM 952 CE1 HIS A 68 10.495 -12.478 -6.912 1.00 0.00 C ATOM 953 NE2 HIS A 68 9.192 -12.524 -6.618 1.00 0.00 N ATOM 954 OXT HIS A 68 11.970 -9.473 -3.602 1.00 0.00 O ATOM 0 H HIS A 68 8.646 -7.159 -3.665 1.00 0.00 H new ATOM 0 HA HIS A 68 8.815 -9.397 -4.100 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.733 -8.374 -6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.318 -8.824 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.914 -10.951 -5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.051 -13.304 -7.331 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.556 -13.312 -6.741 1.00 0.00 H new TER 962 HIS A 68