USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 470 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= -5.83! C(o=-5.8!,f=-17!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.077 K(o=-0.077,f=-1.6!) USER MOD Single : A 35 GLN : amide:sc= -0.428 K(o=-0.43,f=-3.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -3.27! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0997 K(o=-0.1,f=-2.9!) USER MOD Single : A 58 THR OG1 : rot -156:sc= -1.03 USER MOD Single : A 60 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.41!) USER MOD Single : A 70 TYR OH : rot 67:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.707 -12.054 -3.384 1.00 0.00 N ATOM 2 CA GLY A 1 -14.291 -11.981 -2.925 1.00 0.00 C ATOM 3 C GLY A 1 -14.123 -10.791 -1.979 1.00 0.00 C ATOM 4 O GLY A 1 -14.097 -10.941 -0.774 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.822 -12.863 -4.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.333 -12.174 -2.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.956 -11.176 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.014 -12.905 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.625 -11.876 -3.781 1.00 0.00 H new ATOM 8 N LYS A 2 -14.007 -9.608 -2.517 1.00 0.00 N ATOM 9 CA LYS A 2 -13.840 -8.408 -1.648 1.00 0.00 C ATOM 10 C LYS A 2 -15.095 -7.539 -1.731 1.00 0.00 C ATOM 11 O LYS A 2 -15.746 -7.466 -2.754 1.00 0.00 O ATOM 12 CB LYS A 2 -12.631 -7.598 -2.121 1.00 0.00 C ATOM 13 CG LYS A 2 -11.474 -8.545 -2.442 1.00 0.00 C ATOM 14 CD LYS A 2 -10.212 -8.071 -1.719 1.00 0.00 C ATOM 15 CE LYS A 2 -9.950 -8.967 -0.506 1.00 0.00 C ATOM 16 NZ LYS A 2 -10.292 -8.226 0.742 1.00 0.00 N ATOM 0 H LYS A 2 -14.021 -9.420 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.684 -8.727 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.894 -7.016 -3.004 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.331 -6.889 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.724 -9.560 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.301 -8.573 -3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.359 -8.101 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.330 -7.035 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.546 -9.877 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.904 -9.273 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.114 -8.834 1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -9.705 -7.370 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.296 -7.956 0.721 1.00 0.00 H new ATOM 30 N GLU A 3 -15.438 -6.876 -0.661 1.00 0.00 N ATOM 31 CA GLU A 3 -16.649 -6.009 -0.679 1.00 0.00 C ATOM 32 C GLU A 3 -16.237 -4.565 -0.403 1.00 0.00 C ATOM 33 O GLU A 3 -16.998 -3.641 -0.614 1.00 0.00 O ATOM 34 CB GLU A 3 -17.632 -6.482 0.395 1.00 0.00 C ATOM 35 CG GLU A 3 -17.628 -8.012 0.448 1.00 0.00 C ATOM 36 CD GLU A 3 -18.347 -8.483 1.714 1.00 0.00 C ATOM 37 OE1 GLU A 3 -18.352 -7.741 2.681 1.00 0.00 O ATOM 38 OE2 GLU A 3 -18.881 -9.581 1.693 1.00 0.00 O ATOM 0 H GLU A 3 -14.932 -6.897 0.224 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.130 -6.069 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.352 -6.073 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.635 -6.117 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.121 -8.418 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.603 -8.384 0.440 1.00 0.00 H new ATOM 45 N CYS A 4 -15.034 -4.360 0.056 1.00 0.00 N ATOM 46 CA CYS A 4 -14.571 -2.973 0.332 1.00 0.00 C ATOM 47 C CYS A 4 -13.124 -2.822 -0.140 1.00 0.00 C ATOM 48 O CYS A 4 -12.303 -3.699 0.043 1.00 0.00 O ATOM 49 CB CYS A 4 -14.653 -2.686 1.833 1.00 0.00 C ATOM 50 SG CYS A 4 -14.124 -0.982 2.145 1.00 0.00 S ATOM 0 H CYS A 4 -14.352 -5.093 0.252 1.00 0.00 H new ATOM 0 HA CYS A 4 -15.207 -2.266 -0.201 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -15.673 -2.833 2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -14.020 -3.382 2.383 1.00 0.00 H new ATOM 55 N ASP A 5 -12.810 -1.713 -0.747 1.00 0.00 N ATOM 56 CA ASP A 5 -11.423 -1.495 -1.236 1.00 0.00 C ATOM 57 C ASP A 5 -10.825 -0.276 -0.528 1.00 0.00 C ATOM 58 O ASP A 5 -9.627 -0.076 -0.522 1.00 0.00 O ATOM 59 CB ASP A 5 -11.448 -1.255 -2.746 1.00 0.00 C ATOM 60 CG ASP A 5 -10.134 -1.744 -3.360 1.00 0.00 C ATOM 61 OD1 ASP A 5 -9.093 -1.277 -2.931 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.195 -2.579 -4.247 1.00 0.00 O ATOM 0 H ASP A 5 -13.458 -0.945 -0.926 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.814 -2.374 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.290 -1.781 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.587 -0.194 -2.955 1.00 0.00 H new ATOM 67 N CYS A 6 -11.652 0.533 0.078 1.00 0.00 N ATOM 68 CA CYS A 6 -11.133 1.731 0.796 1.00 0.00 C ATOM 69 C CYS A 6 -11.713 1.759 2.211 1.00 0.00 C ATOM 70 O CYS A 6 -12.884 1.504 2.416 1.00 0.00 O ATOM 71 CB CYS A 6 -11.532 3.005 0.037 1.00 0.00 C ATOM 72 SG CYS A 6 -13.281 3.387 0.323 1.00 0.00 S ATOM 0 H CYS A 6 -12.665 0.415 0.106 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.046 1.683 0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.912 3.840 0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.352 2.872 -1.030 1.00 0.00 H new ATOM 77 N SER A 7 -10.908 2.061 3.191 1.00 0.00 N ATOM 78 CA SER A 7 -11.423 2.099 4.587 1.00 0.00 C ATOM 79 C SER A 7 -11.863 3.523 4.932 1.00 0.00 C ATOM 80 O SER A 7 -12.090 3.851 6.079 1.00 0.00 O ATOM 81 CB SER A 7 -10.323 1.654 5.552 1.00 0.00 C ATOM 82 OG SER A 7 -9.480 0.713 4.901 1.00 0.00 O ATOM 0 H SER A 7 -9.918 2.283 3.086 1.00 0.00 H new ATOM 0 HA SER A 7 -12.275 1.426 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.741 2.515 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.764 1.209 6.444 1.00 0.00 H new ATOM 0 HG SER A 7 -8.773 0.427 5.516 1.00 0.00 H new ATOM 88 N SER A 8 -11.988 4.375 3.949 1.00 0.00 N ATOM 89 CA SER A 8 -12.417 5.774 4.231 1.00 0.00 C ATOM 90 C SER A 8 -13.707 6.076 3.456 1.00 0.00 C ATOM 91 O SER A 8 -13.718 6.023 2.242 1.00 0.00 O ATOM 92 CB SER A 8 -11.320 6.741 3.783 1.00 0.00 C ATOM 93 OG SER A 8 -10.056 6.097 3.885 1.00 0.00 O ATOM 0 H SER A 8 -11.812 4.163 2.967 1.00 0.00 H new ATOM 0 HA SER A 8 -12.595 5.893 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.497 7.059 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.335 7.638 4.402 1.00 0.00 H new ATOM 0 HG SER A 8 -9.351 6.713 3.597 1.00 0.00 H new ATOM 99 N PRO A 9 -14.758 6.386 4.177 1.00 0.00 N ATOM 100 CA PRO A 9 -16.065 6.703 3.571 1.00 0.00 C ATOM 101 C PRO A 9 -16.054 8.124 3.002 1.00 0.00 C ATOM 102 O PRO A 9 -16.926 8.510 2.249 1.00 0.00 O ATOM 103 CB PRO A 9 -17.045 6.585 4.742 1.00 0.00 C ATOM 104 CG PRO A 9 -16.207 6.765 6.031 1.00 0.00 C ATOM 105 CD PRO A 9 -14.747 6.454 5.653 1.00 0.00 C ATOM 0 HA PRO A 9 -16.326 6.046 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.824 7.345 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.544 5.616 4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.300 7.781 6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.555 6.094 6.816 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.070 7.230 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.414 5.513 6.092 1.00 0.00 H new ATOM 113 N GLU A 10 -15.067 8.902 3.352 1.00 0.00 N ATOM 114 CA GLU A 10 -14.990 10.295 2.830 1.00 0.00 C ATOM 115 C GLU A 10 -14.114 10.312 1.577 1.00 0.00 C ATOM 116 O GLU A 10 -13.613 11.339 1.168 1.00 0.00 O ATOM 117 CB GLU A 10 -14.373 11.203 3.896 1.00 0.00 C ATOM 118 CG GLU A 10 -13.162 10.504 4.518 1.00 0.00 C ATOM 119 CD GLU A 10 -12.205 11.552 5.089 1.00 0.00 C ATOM 120 OE1 GLU A 10 -12.355 12.713 4.745 1.00 0.00 O ATOM 121 OE2 GLU A 10 -11.339 11.177 5.862 1.00 0.00 O ATOM 0 H GLU A 10 -14.309 8.632 3.979 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.990 10.653 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.071 12.151 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.110 11.432 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.486 9.824 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.652 9.901 3.767 1.00 0.00 H new ATOM 128 N ASN A 11 -13.922 9.172 0.969 1.00 0.00 N ATOM 129 CA ASN A 11 -13.074 9.109 -0.253 1.00 0.00 C ATOM 130 C ASN A 11 -13.970 8.890 -1.483 1.00 0.00 C ATOM 131 O ASN A 11 -14.775 7.981 -1.501 1.00 0.00 O ATOM 132 CB ASN A 11 -12.092 7.944 -0.107 1.00 0.00 C ATOM 133 CG ASN A 11 -11.491 7.592 -1.466 1.00 0.00 C ATOM 134 OD1 ASN A 11 -11.423 8.422 -2.350 1.00 0.00 O ATOM 135 ND2 ASN A 11 -11.048 6.384 -1.671 1.00 0.00 N ATOM 0 H ASN A 11 -14.317 8.281 1.268 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.522 10.040 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.299 8.212 0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -12.604 7.076 0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.644 6.135 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.105 5.687 -0.928 1.00 0.00 H new ATOM 142 N PRO A 12 -13.812 9.737 -2.473 1.00 0.00 N ATOM 143 CA PRO A 12 -14.605 9.664 -3.715 1.00 0.00 C ATOM 144 C PRO A 12 -14.068 8.581 -4.659 1.00 0.00 C ATOM 145 O PRO A 12 -14.823 7.905 -5.330 1.00 0.00 O ATOM 146 CB PRO A 12 -14.426 11.053 -4.335 1.00 0.00 C ATOM 147 CG PRO A 12 -13.120 11.631 -3.742 1.00 0.00 C ATOM 148 CD PRO A 12 -12.836 10.848 -2.448 1.00 0.00 C ATOM 0 HA PRO A 12 -15.647 9.404 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.364 10.988 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -15.276 11.695 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.295 11.525 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.227 12.696 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.811 10.477 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.969 11.475 -1.566 1.00 0.00 H new ATOM 156 N CYS A 13 -12.775 8.418 -4.733 1.00 0.00 N ATOM 157 CA CYS A 13 -12.208 7.391 -5.649 1.00 0.00 C ATOM 158 C CYS A 13 -12.788 6.015 -5.320 1.00 0.00 C ATOM 159 O CYS A 13 -12.686 5.091 -6.104 1.00 0.00 O ATOM 160 CB CYS A 13 -10.686 7.359 -5.498 1.00 0.00 C ATOM 161 SG CYS A 13 -9.928 7.883 -7.056 1.00 0.00 S ATOM 0 H CYS A 13 -12.089 8.951 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 13 -12.467 7.646 -6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.374 8.018 -4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -10.355 6.354 -5.237 1.00 0.00 H new ATOM 166 N CYS A 14 -13.399 5.862 -4.178 1.00 0.00 N ATOM 167 CA CYS A 14 -13.979 4.536 -3.832 1.00 0.00 C ATOM 168 C CYS A 14 -15.465 4.689 -3.500 1.00 0.00 C ATOM 169 O CYS A 14 -15.852 5.494 -2.677 1.00 0.00 O ATOM 170 CB CYS A 14 -13.225 3.934 -2.640 1.00 0.00 C ATOM 171 SG CYS A 14 -13.728 4.747 -1.103 1.00 0.00 S ATOM 0 H CYS A 14 -13.521 6.591 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.879 3.865 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.426 2.865 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.151 4.048 -2.785 1.00 0.00 H new ATOM 176 N ASP A 15 -16.297 3.917 -4.143 1.00 0.00 N ATOM 177 CA ASP A 15 -17.758 4.006 -3.878 1.00 0.00 C ATOM 178 C ASP A 15 -18.026 3.741 -2.397 1.00 0.00 C ATOM 179 O ASP A 15 -17.908 2.626 -1.925 1.00 0.00 O ATOM 180 CB ASP A 15 -18.492 2.962 -4.720 1.00 0.00 C ATOM 181 CG ASP A 15 -19.927 3.428 -4.973 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.624 3.687 -4.005 1.00 0.00 O ATOM 183 OD2 ASP A 15 -20.306 3.517 -6.128 1.00 0.00 O ATOM 0 H ASP A 15 -16.026 3.226 -4.843 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.113 5.003 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.974 2.814 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.496 2.001 -4.205 1.00 0.00 H new ATOM 188 N ALA A 16 -18.387 4.756 -1.662 1.00 0.00 N ATOM 189 CA ALA A 16 -18.666 4.565 -0.212 1.00 0.00 C ATOM 190 C ALA A 16 -19.918 3.703 -0.052 1.00 0.00 C ATOM 191 O ALA A 16 -20.103 3.037 0.948 1.00 0.00 O ATOM 192 CB ALA A 16 -18.895 5.927 0.446 1.00 0.00 C ATOM 0 H ALA A 16 -18.501 5.710 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.819 4.072 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.099 5.788 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.004 6.544 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.745 6.421 -0.026 1.00 0.00 H new ATOM 198 N ALA A 17 -20.780 3.707 -1.032 1.00 0.00 N ATOM 199 CA ALA A 17 -22.018 2.886 -0.940 1.00 0.00 C ATOM 200 C ALA A 17 -21.639 1.405 -0.919 1.00 0.00 C ATOM 201 O ALA A 17 -22.273 0.599 -0.268 1.00 0.00 O ATOM 202 CB ALA A 17 -22.909 3.168 -2.152 1.00 0.00 C ATOM 0 H ALA A 17 -20.679 4.244 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.558 3.139 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.816 2.567 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.175 4.225 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.372 2.913 -3.066 1.00 0.00 H new ATOM 208 N THR A 18 -20.601 1.042 -1.623 1.00 0.00 N ATOM 209 CA THR A 18 -20.172 -0.386 -1.640 1.00 0.00 C ATOM 210 C THR A 18 -18.841 -0.519 -0.897 1.00 0.00 C ATOM 211 O THR A 18 -18.416 -1.604 -0.556 1.00 0.00 O ATOM 212 CB THR A 18 -19.996 -0.855 -3.087 1.00 0.00 C ATOM 213 OG1 THR A 18 -18.827 -0.262 -3.635 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.215 -0.443 -3.914 1.00 0.00 C ATOM 0 H THR A 18 -20.031 1.673 -2.187 1.00 0.00 H new ATOM 0 HA THR A 18 -20.930 -1.000 -1.153 1.00 0.00 H new ATOM 0 HB THR A 18 -19.899 -1.940 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.711 -0.562 -4.561 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.087 -0.778 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.111 -0.899 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 18 -21.317 0.642 -3.896 1.00 0.00 H new ATOM 222 N CYS A 19 -18.183 0.582 -0.645 1.00 0.00 N ATOM 223 CA CYS A 19 -16.880 0.529 0.077 1.00 0.00 C ATOM 224 C CYS A 19 -15.776 0.079 -0.881 1.00 0.00 C ATOM 225 O CYS A 19 -14.689 -0.257 -0.463 1.00 0.00 O ATOM 226 CB CYS A 19 -16.976 -0.466 1.237 1.00 0.00 C ATOM 227 SG CYS A 19 -15.833 0.019 2.556 1.00 0.00 S ATOM 0 H CYS A 19 -18.493 1.517 -0.909 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.645 1.521 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -17.996 -0.495 1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.738 -1.471 0.887 1.00 0.00 H new ATOM 232 N LYS A 20 -16.040 0.063 -2.162 1.00 0.00 N ATOM 233 CA LYS A 20 -14.990 -0.379 -3.128 1.00 0.00 C ATOM 234 C LYS A 20 -14.621 0.770 -4.070 1.00 0.00 C ATOM 235 O LYS A 20 -14.979 1.908 -3.846 1.00 0.00 O ATOM 236 CB LYS A 20 -15.508 -1.563 -3.949 1.00 0.00 C ATOM 237 CG LYS A 20 -15.603 -2.806 -3.060 1.00 0.00 C ATOM 238 CD LYS A 20 -14.345 -3.658 -3.246 1.00 0.00 C ATOM 239 CE LYS A 20 -14.651 -4.833 -4.176 1.00 0.00 C ATOM 240 NZ LYS A 20 -13.593 -4.924 -5.223 1.00 0.00 N ATOM 0 H LYS A 20 -16.930 0.335 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.104 -0.681 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.487 -1.327 -4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.840 -1.755 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.707 -2.513 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.490 -3.385 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.542 -3.051 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.998 -4.027 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.695 -5.761 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.628 -4.698 -4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.799 -5.723 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.572 -4.042 -5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.668 -5.071 -4.770 1.00 0.00 H new ATOM 254 N LEU A 21 -13.899 0.479 -5.121 1.00 0.00 N ATOM 255 CA LEU A 21 -13.499 1.555 -6.075 1.00 0.00 C ATOM 256 C LEU A 21 -14.645 1.845 -7.045 1.00 0.00 C ATOM 257 O LEU A 21 -15.233 0.947 -7.613 1.00 0.00 O ATOM 258 CB LEU A 21 -12.265 1.110 -6.857 1.00 0.00 C ATOM 259 CG LEU A 21 -11.016 1.434 -6.040 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.316 0.133 -5.656 1.00 0.00 C ATOM 261 CD2 LEU A 21 -10.067 2.298 -6.873 1.00 0.00 C ATOM 0 H LEU A 21 -13.570 -0.456 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.268 2.462 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.314 0.041 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.227 1.618 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.300 1.978 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.423 0.359 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.992 -0.482 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.032 -0.408 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.176 2.528 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.779 1.757 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.568 3.225 -7.151 1.00 0.00 H new ATOM 273 N ARG A 22 -14.968 3.096 -7.237 1.00 0.00 N ATOM 274 CA ARG A 22 -16.076 3.446 -8.170 1.00 0.00 C ATOM 275 C ARG A 22 -15.578 3.356 -9.617 1.00 0.00 C ATOM 276 O ARG A 22 -16.138 2.630 -10.415 1.00 0.00 O ATOM 277 CB ARG A 22 -16.566 4.867 -7.877 1.00 0.00 C ATOM 278 CG ARG A 22 -18.027 4.825 -7.426 1.00 0.00 C ATOM 279 CD ARG A 22 -18.666 6.200 -7.633 1.00 0.00 C ATOM 280 NE ARG A 22 -19.959 6.263 -6.896 1.00 0.00 N ATOM 281 CZ ARG A 22 -21.069 5.925 -7.495 1.00 0.00 C ATOM 282 NH1 ARG A 22 -21.026 5.287 -8.632 1.00 0.00 N ATOM 283 NH2 ARG A 22 -22.219 6.226 -6.957 1.00 0.00 N ATOM 0 H ARG A 22 -14.512 3.890 -6.788 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.901 2.747 -8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.949 5.322 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.468 5.487 -8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.572 4.070 -7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.086 4.539 -6.376 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.995 6.982 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.832 6.380 -8.695 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.977 6.570 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.126 5.053 -9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.892 5.022 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -22.251 6.726 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.086 5.962 -7.425 1.00 0.00 H new ATOM 297 N PRO A 23 -14.536 4.094 -9.917 1.00 0.00 N ATOM 298 CA PRO A 23 -13.941 4.108 -11.266 1.00 0.00 C ATOM 299 C PRO A 23 -13.059 2.874 -11.467 1.00 0.00 C ATOM 300 O PRO A 23 -13.174 1.894 -10.758 1.00 0.00 O ATOM 301 CB PRO A 23 -13.089 5.379 -11.269 1.00 0.00 C ATOM 302 CG PRO A 23 -12.780 5.697 -9.786 1.00 0.00 C ATOM 303 CD PRO A 23 -13.854 4.980 -8.948 1.00 0.00 C ATOM 0 HA PRO A 23 -14.685 4.093 -12.063 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.169 5.229 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.623 6.204 -11.741 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.783 5.351 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.803 6.772 -9.607 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.409 4.411 -8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.549 5.690 -8.499 1.00 0.00 H new ATOM 311 N GLY A 24 -12.170 2.921 -12.420 1.00 0.00 N ATOM 312 CA GLY A 24 -11.270 1.758 -12.655 1.00 0.00 C ATOM 313 C GLY A 24 -9.989 1.955 -11.845 1.00 0.00 C ATOM 314 O GLY A 24 -8.948 1.413 -12.161 1.00 0.00 O ATOM 0 H GLY A 24 -12.028 3.714 -13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.764 0.832 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.036 1.670 -13.716 1.00 0.00 H new ATOM 318 N ALA A 25 -10.062 2.735 -10.800 1.00 0.00 N ATOM 319 CA ALA A 25 -8.856 2.982 -9.960 1.00 0.00 C ATOM 320 C ALA A 25 -8.458 1.690 -9.242 1.00 0.00 C ATOM 321 O ALA A 25 -9.295 0.890 -8.876 1.00 0.00 O ATOM 322 CB ALA A 25 -9.173 4.065 -8.924 1.00 0.00 C ATOM 0 H ALA A 25 -10.908 3.213 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.033 3.312 -10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.293 4.248 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.456 4.985 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.996 3.733 -8.291 1.00 0.00 H new ATOM 328 N GLN A 26 -7.187 1.482 -9.037 1.00 0.00 N ATOM 329 CA GLN A 26 -6.739 0.245 -8.337 1.00 0.00 C ATOM 330 C GLN A 26 -7.029 0.384 -6.843 1.00 0.00 C ATOM 331 O GLN A 26 -7.490 -0.538 -6.199 1.00 0.00 O ATOM 332 CB GLN A 26 -5.234 0.058 -8.543 1.00 0.00 C ATOM 333 CG GLN A 26 -4.974 -0.538 -9.927 1.00 0.00 C ATOM 334 CD GLN A 26 -5.030 -2.065 -9.849 1.00 0.00 C ATOM 335 OE1 GLN A 26 -5.519 -2.619 -8.885 1.00 0.00 O ATOM 336 NE2 GLN A 26 -4.547 -2.774 -10.832 1.00 0.00 N ATOM 0 H GLN A 26 -6.440 2.114 -9.323 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.271 -0.617 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.722 1.016 -8.447 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.830 -0.598 -7.772 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.717 -0.173 -10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.999 -0.218 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.136 -2.310 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.580 -3.793 -10.791 1.00 0.00 H new ATOM 345 N CYS A 27 -6.762 1.532 -6.290 1.00 0.00 N ATOM 346 CA CYS A 27 -7.017 1.743 -4.840 1.00 0.00 C ATOM 347 C CYS A 27 -7.620 3.137 -4.641 1.00 0.00 C ATOM 348 O CYS A 27 -7.304 4.068 -5.352 1.00 0.00 O ATOM 349 CB CYS A 27 -5.686 1.607 -4.074 1.00 0.00 C ATOM 350 SG CYS A 27 -5.682 2.616 -2.565 1.00 0.00 S ATOM 0 H CYS A 27 -6.376 2.337 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.718 1.000 -4.459 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.519 0.562 -3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.861 1.911 -4.719 1.00 0.00 H new ATOM 355 N GLY A 28 -8.480 3.284 -3.674 1.00 0.00 N ATOM 356 CA GLY A 28 -9.093 4.615 -3.422 1.00 0.00 C ATOM 357 C GLY A 28 -8.293 5.324 -2.342 1.00 0.00 C ATOM 358 O GLY A 28 -8.167 6.532 -2.335 1.00 0.00 O ATOM 0 H GLY A 28 -8.785 2.539 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.100 5.207 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.131 4.500 -3.109 1.00 0.00 H new ATOM 362 N GLU A 29 -7.748 4.581 -1.429 1.00 0.00 N ATOM 363 CA GLU A 29 -6.955 5.209 -0.350 1.00 0.00 C ATOM 364 C GLU A 29 -5.833 4.262 0.084 1.00 0.00 C ATOM 365 O GLU A 29 -6.031 3.070 0.211 1.00 0.00 O ATOM 366 CB GLU A 29 -7.880 5.501 0.824 1.00 0.00 C ATOM 367 CG GLU A 29 -8.411 4.186 1.396 1.00 0.00 C ATOM 368 CD GLU A 29 -7.643 3.835 2.672 1.00 0.00 C ATOM 369 OE1 GLU A 29 -6.508 3.402 2.557 1.00 0.00 O ATOM 370 OE2 GLU A 29 -8.204 4.005 3.741 1.00 0.00 O ATOM 0 H GLU A 29 -7.818 3.564 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.507 6.137 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.343 6.054 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.709 6.130 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.475 4.275 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.301 3.388 0.662 1.00 0.00 H new ATOM 377 N GLY A 30 -4.657 4.781 0.313 1.00 0.00 N ATOM 378 CA GLY A 30 -3.525 3.907 0.738 1.00 0.00 C ATOM 379 C GLY A 30 -2.199 4.632 0.487 1.00 0.00 C ATOM 380 O GLY A 30 -2.132 5.581 -0.270 1.00 0.00 O ATOM 0 H GLY A 30 -4.431 5.772 0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.621 3.657 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.549 2.968 0.185 1.00 0.00 H new ATOM 384 N LEU A 31 -1.144 4.195 1.119 1.00 0.00 N ATOM 385 CA LEU A 31 0.175 4.860 0.922 1.00 0.00 C ATOM 386 C LEU A 31 0.709 4.551 -0.478 1.00 0.00 C ATOM 387 O LEU A 31 1.381 5.357 -1.088 1.00 0.00 O ATOM 388 CB LEU A 31 1.165 4.345 1.968 1.00 0.00 C ATOM 389 CG LEU A 31 1.670 5.515 2.812 1.00 0.00 C ATOM 390 CD1 LEU A 31 2.469 6.474 1.928 1.00 0.00 C ATOM 391 CD2 LEU A 31 0.478 6.258 3.420 1.00 0.00 C ATOM 0 H LEU A 31 -1.139 3.405 1.764 1.00 0.00 H new ATOM 0 HA LEU A 31 0.053 5.938 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.684 3.604 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.002 3.848 1.478 1.00 0.00 H new ATOM 0 HG LEU A 31 2.309 5.137 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.829 7.309 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.318 5.946 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.830 6.851 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.838 7.092 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.161 6.636 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.093 5.576 4.050 1.00 0.00 H new ATOM 403 N CYS A 32 0.422 3.387 -0.992 1.00 0.00 N ATOM 404 CA CYS A 32 0.922 3.033 -2.350 1.00 0.00 C ATOM 405 C CYS A 32 -0.155 3.343 -3.392 1.00 0.00 C ATOM 406 O CYS A 32 -0.134 2.824 -4.490 1.00 0.00 O ATOM 407 CB CYS A 32 1.263 1.543 -2.399 1.00 0.00 C ATOM 408 SG CYS A 32 2.013 1.040 -0.831 1.00 0.00 S ATOM 0 H CYS A 32 -0.136 2.667 -0.532 1.00 0.00 H new ATOM 0 HA CYS A 32 1.816 3.618 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.362 0.959 -2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.949 1.343 -3.222 1.00 0.00 H new ATOM 413 N CYS A 33 -1.096 4.185 -3.063 1.00 0.00 N ATOM 414 CA CYS A 33 -2.162 4.522 -4.045 1.00 0.00 C ATOM 415 C CYS A 33 -1.848 5.874 -4.689 1.00 0.00 C ATOM 416 O CYS A 33 -2.283 6.910 -4.227 1.00 0.00 O ATOM 417 CB CYS A 33 -3.516 4.590 -3.333 1.00 0.00 C ATOM 418 SG CYS A 33 -3.739 3.113 -2.314 1.00 0.00 S ATOM 0 H CYS A 33 -1.172 4.652 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.203 3.753 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.567 5.484 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.320 4.664 -4.065 1.00 0.00 H new ATOM 423 N GLU A 34 -1.095 5.869 -5.755 1.00 0.00 N ATOM 424 CA GLU A 34 -0.750 7.147 -6.435 1.00 0.00 C ATOM 425 C GLU A 34 -1.801 7.442 -7.503 1.00 0.00 C ATOM 426 O GLU A 34 -1.846 6.803 -8.535 1.00 0.00 O ATOM 427 CB GLU A 34 0.625 7.019 -7.095 1.00 0.00 C ATOM 428 CG GLU A 34 1.009 8.350 -7.743 1.00 0.00 C ATOM 429 CD GLU A 34 2.519 8.382 -7.987 1.00 0.00 C ATOM 430 OE1 GLU A 34 3.013 7.474 -8.636 1.00 0.00 O ATOM 431 OE2 GLU A 34 3.154 9.312 -7.520 1.00 0.00 O ATOM 0 H GLU A 34 -0.703 5.031 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.727 7.957 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.371 6.736 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.607 6.229 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.475 8.475 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.716 9.178 -7.098 1.00 0.00 H new ATOM 438 N GLN A 35 -2.651 8.397 -7.260 1.00 0.00 N ATOM 439 CA GLN A 35 -3.703 8.719 -8.260 1.00 0.00 C ATOM 440 C GLN A 35 -4.744 7.601 -8.262 1.00 0.00 C ATOM 441 O GLN A 35 -5.286 7.242 -9.289 1.00 0.00 O ATOM 442 CB GLN A 35 -3.073 8.836 -9.648 1.00 0.00 C ATOM 443 CG GLN A 35 -3.340 10.233 -10.211 1.00 0.00 C ATOM 444 CD GLN A 35 -4.450 10.155 -11.260 1.00 0.00 C ATOM 445 OE1 GLN A 35 -4.869 9.080 -11.638 1.00 0.00 O ATOM 446 NE2 GLN A 35 -4.948 11.259 -11.746 1.00 0.00 N ATOM 0 H GLN A 35 -2.663 8.967 -6.414 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.179 9.665 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.000 8.655 -9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.488 8.078 -10.313 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.630 10.911 -9.408 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.431 10.637 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.595 12.161 -11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.690 11.220 -12.444 1.00 0.00 H new ATOM 455 N CYS A 36 -5.022 7.045 -7.116 1.00 0.00 N ATOM 456 CA CYS A 36 -6.021 5.945 -7.037 1.00 0.00 C ATOM 457 C CYS A 36 -5.509 4.738 -7.824 1.00 0.00 C ATOM 458 O CYS A 36 -6.273 3.913 -8.283 1.00 0.00 O ATOM 459 CB CYS A 36 -7.352 6.416 -7.623 1.00 0.00 C ATOM 460 SG CYS A 36 -7.945 7.843 -6.683 1.00 0.00 S ATOM 0 H CYS A 36 -4.597 7.307 -6.226 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.169 5.662 -5.995 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.227 6.683 -8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.085 5.610 -7.585 1.00 0.00 H new ATOM 465 N LYS A 37 -4.219 4.628 -7.978 1.00 0.00 N ATOM 466 CA LYS A 37 -3.648 3.475 -8.726 1.00 0.00 C ATOM 467 C LYS A 37 -2.575 2.809 -7.865 1.00 0.00 C ATOM 468 O LYS A 37 -2.154 3.347 -6.861 1.00 0.00 O ATOM 469 CB LYS A 37 -3.024 3.971 -10.033 1.00 0.00 C ATOM 470 CG LYS A 37 -4.120 4.165 -11.080 1.00 0.00 C ATOM 471 CD LYS A 37 -4.197 2.927 -11.975 1.00 0.00 C ATOM 472 CE LYS A 37 -4.667 3.336 -13.372 1.00 0.00 C ATOM 473 NZ LYS A 37 -5.774 2.438 -13.808 1.00 0.00 N ATOM 0 H LYS A 37 -3.533 5.291 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.435 2.756 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.498 4.910 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.287 3.253 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.079 4.333 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.910 5.049 -11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.220 2.447 -12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.885 2.198 -11.547 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.007 4.372 -13.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.838 3.278 -14.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.093 2.716 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.435 1.455 -13.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.567 2.515 -13.140 1.00 0.00 H new ATOM 487 N PHE A 38 -2.126 1.644 -8.241 1.00 0.00 N ATOM 488 CA PHE A 38 -1.081 0.959 -7.428 1.00 0.00 C ATOM 489 C PHE A 38 0.293 1.540 -7.753 1.00 0.00 C ATOM 490 O PHE A 38 0.832 1.316 -8.819 1.00 0.00 O ATOM 491 CB PHE A 38 -1.067 -0.538 -7.747 1.00 0.00 C ATOM 492 CG PHE A 38 -2.103 -1.257 -6.909 1.00 0.00 C ATOM 493 CD1 PHE A 38 -3.099 -0.533 -6.243 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.061 -2.651 -6.796 1.00 0.00 C ATOM 495 CE1 PHE A 38 -4.052 -1.200 -5.467 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.014 -3.320 -6.018 1.00 0.00 C ATOM 497 CZ PHE A 38 -4.009 -2.595 -5.354 1.00 0.00 C ATOM 0 H PHE A 38 -2.435 1.138 -9.071 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.308 1.110 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.272 -0.694 -8.806 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.078 -0.951 -7.550 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.131 0.543 -6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.293 -3.211 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.821 -0.640 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.981 -4.396 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.744 -3.111 -4.754 1.00 0.00 H new ATOM 507 N SER A 39 0.881 2.261 -6.841 1.00 0.00 N ATOM 508 CA SER A 39 2.232 2.815 -7.114 1.00 0.00 C ATOM 509 C SER A 39 3.168 1.636 -7.376 1.00 0.00 C ATOM 510 O SER A 39 2.775 0.494 -7.251 1.00 0.00 O ATOM 511 CB SER A 39 2.723 3.611 -5.903 1.00 0.00 C ATOM 512 OG SER A 39 1.607 4.178 -5.230 1.00 0.00 O ATOM 0 H SER A 39 0.488 2.488 -5.927 1.00 0.00 H new ATOM 0 HA SER A 39 2.206 3.483 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.278 2.961 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.407 4.397 -6.223 1.00 0.00 H new ATOM 0 HG SER A 39 1.918 4.687 -4.453 1.00 0.00 H new ATOM 518 N ARG A 40 4.391 1.885 -7.739 1.00 0.00 N ATOM 519 CA ARG A 40 5.315 0.748 -8.002 1.00 0.00 C ATOM 520 C ARG A 40 5.960 0.306 -6.686 1.00 0.00 C ATOM 521 O ARG A 40 5.956 1.031 -5.711 1.00 0.00 O ATOM 522 CB ARG A 40 6.401 1.187 -8.983 1.00 0.00 C ATOM 523 CG ARG A 40 6.949 2.549 -8.556 1.00 0.00 C ATOM 524 CD ARG A 40 6.379 3.634 -9.471 1.00 0.00 C ATOM 525 NE ARG A 40 7.309 3.861 -10.612 1.00 0.00 N ATOM 526 CZ ARG A 40 8.582 4.040 -10.389 1.00 0.00 C ATOM 527 NH1 ARG A 40 8.985 5.067 -9.693 1.00 0.00 N ATOM 528 NH2 ARG A 40 9.453 3.190 -10.861 1.00 0.00 N ATOM 0 H ARG A 40 4.790 2.815 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 40 4.757 -0.084 -8.432 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.204 0.451 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.993 1.247 -9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.680 2.753 -7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.038 2.548 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.399 3.334 -9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.239 4.559 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 40 6.951 3.877 -11.567 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.305 5.731 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.980 5.206 -9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.138 2.386 -11.404 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.448 3.330 -10.687 1.00 0.00 H new ATOM 542 N ALA A 41 6.517 -0.873 -6.649 1.00 0.00 N ATOM 543 CA ALA A 41 7.162 -1.344 -5.391 1.00 0.00 C ATOM 544 C ALA A 41 8.428 -0.530 -5.159 1.00 0.00 C ATOM 545 O ALA A 41 8.832 0.255 -5.992 1.00 0.00 O ATOM 546 CB ALA A 41 7.519 -2.828 -5.515 1.00 0.00 C ATOM 0 H ALA A 41 6.554 -1.527 -7.431 1.00 0.00 H new ATOM 0 HA ALA A 41 6.477 -1.216 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.990 -3.167 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.613 -3.407 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.209 -2.968 -6.347 1.00 0.00 H new ATOM 552 N GLY A 42 9.050 -0.689 -4.027 1.00 0.00 N ATOM 553 CA GLY A 42 10.273 0.105 -3.758 1.00 0.00 C ATOM 554 C GLY A 42 9.857 1.563 -3.563 1.00 0.00 C ATOM 555 O GLY A 42 10.649 2.472 -3.717 1.00 0.00 O ATOM 0 H GLY A 42 8.767 -1.328 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.782 -0.268 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.975 0.017 -4.587 1.00 0.00 H new ATOM 559 N LYS A 43 8.609 1.796 -3.238 1.00 0.00 N ATOM 560 CA LYS A 43 8.147 3.205 -3.051 1.00 0.00 C ATOM 561 C LYS A 43 8.220 3.578 -1.565 1.00 0.00 C ATOM 562 O LYS A 43 7.619 2.943 -0.723 1.00 0.00 O ATOM 563 CB LYS A 43 6.710 3.352 -3.607 1.00 0.00 C ATOM 564 CG LYS A 43 5.756 3.969 -2.570 1.00 0.00 C ATOM 565 CD LYS A 43 6.146 5.426 -2.309 1.00 0.00 C ATOM 566 CE LYS A 43 4.898 6.226 -1.937 1.00 0.00 C ATOM 567 NZ LYS A 43 4.991 7.593 -2.524 1.00 0.00 N ATOM 0 H LYS A 43 7.897 1.079 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 43 8.794 3.889 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.728 3.976 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.335 2.374 -3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.729 3.917 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.797 3.400 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.879 5.479 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.615 5.853 -3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.006 5.720 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.804 6.290 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.142 8.138 -2.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.835 8.074 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.061 7.522 -3.559 1.00 0.00 H new ATOM 581 N ILE A 44 8.955 4.606 -1.244 1.00 0.00 N ATOM 582 CA ILE A 44 9.076 5.027 0.181 1.00 0.00 C ATOM 583 C ILE A 44 7.706 5.471 0.704 1.00 0.00 C ATOM 584 O ILE A 44 7.351 6.630 0.632 1.00 0.00 O ATOM 585 CB ILE A 44 10.067 6.190 0.278 1.00 0.00 C ATOM 586 CG1 ILE A 44 9.987 6.830 1.666 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.726 7.237 -0.779 1.00 0.00 C ATOM 588 CD1 ILE A 44 10.615 5.893 2.693 1.00 0.00 C ATOM 0 H ILE A 44 9.479 5.175 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 44 9.434 4.191 0.782 1.00 0.00 H new ATOM 0 HB ILE A 44 11.076 5.813 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.506 7.789 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.948 7.030 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.431 8.066 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.789 6.787 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.714 7.607 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.559 6.347 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.077 4.945 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.659 5.716 2.434 1.00 0.00 H new ATOM 600 N CYS A 45 6.935 4.560 1.237 1.00 0.00 N ATOM 601 CA CYS A 45 5.594 4.939 1.769 1.00 0.00 C ATOM 602 C CYS A 45 5.776 5.815 3.007 1.00 0.00 C ATOM 603 O CYS A 45 4.987 6.698 3.279 1.00 0.00 O ATOM 604 CB CYS A 45 4.816 3.681 2.154 1.00 0.00 C ATOM 605 SG CYS A 45 5.882 2.588 3.121 1.00 0.00 S ATOM 0 H CYS A 45 7.175 3.573 1.327 1.00 0.00 H new ATOM 0 HA CYS A 45 5.042 5.485 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.932 3.950 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.467 3.167 1.258 1.00 0.00 H new ATOM 610 N ARG A 46 6.811 5.571 3.761 1.00 0.00 N ATOM 611 CA ARG A 46 7.049 6.384 4.988 1.00 0.00 C ATOM 612 C ARG A 46 8.552 6.466 5.265 1.00 0.00 C ATOM 613 O ARG A 46 9.278 5.506 5.098 1.00 0.00 O ATOM 614 CB ARG A 46 6.349 5.724 6.178 1.00 0.00 C ATOM 615 CG ARG A 46 5.209 6.622 6.665 1.00 0.00 C ATOM 616 CD ARG A 46 4.605 6.033 7.941 1.00 0.00 C ATOM 617 NE ARG A 46 3.750 7.057 8.606 1.00 0.00 N ATOM 618 CZ ARG A 46 2.753 6.685 9.361 1.00 0.00 C ATOM 619 NH1 ARG A 46 2.839 5.586 10.060 1.00 0.00 N ATOM 620 NH2 ARG A 46 1.672 7.413 9.420 1.00 0.00 N ATOM 0 H ARG A 46 7.503 4.844 3.581 1.00 0.00 H new ATOM 0 HA ARG A 46 6.652 7.388 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.959 4.748 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.062 5.555 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.581 7.628 6.857 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.444 6.707 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.013 5.150 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.398 5.712 8.616 1.00 0.00 H new ATOM 0 HE ARG A 46 3.944 8.049 8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.685 5.018 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.060 5.295 10.650 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.606 8.273 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.893 7.122 10.010 1.00 0.00 H new ATOM 634 N ILE A 47 9.024 7.608 5.686 1.00 0.00 N ATOM 635 CA ILE A 47 10.480 7.755 5.974 1.00 0.00 C ATOM 636 C ILE A 47 10.826 7.006 7.262 1.00 0.00 C ATOM 637 O ILE A 47 10.035 6.932 8.180 1.00 0.00 O ATOM 638 CB ILE A 47 10.817 9.237 6.142 1.00 0.00 C ATOM 639 CG1 ILE A 47 12.337 9.413 6.171 1.00 0.00 C ATOM 640 CG2 ILE A 47 10.221 9.749 7.456 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.804 10.066 4.869 1.00 0.00 C ATOM 0 H ILE A 47 8.464 8.446 5.843 1.00 0.00 H new ATOM 0 HA ILE A 47 11.057 7.340 5.147 1.00 0.00 H new ATOM 0 HB ILE A 47 10.400 9.802 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.625 10.029 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.823 8.446 6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.461 10.805 7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.139 9.622 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.639 9.184 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.887 10.190 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.529 9.433 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 12.329 11.041 4.760 1.00 0.00 H new ATOM 653 N ALA A 48 12.005 6.451 7.337 1.00 0.00 N ATOM 654 CA ALA A 48 12.401 5.709 8.567 1.00 0.00 C ATOM 655 C ALA A 48 12.393 6.665 9.761 1.00 0.00 C ATOM 656 O ALA A 48 13.228 7.541 9.875 1.00 0.00 O ATOM 657 CB ALA A 48 13.805 5.128 8.384 1.00 0.00 C ATOM 0 H ALA A 48 12.710 6.479 6.601 1.00 0.00 H new ATOM 0 HA ALA A 48 11.696 4.898 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.094 4.585 9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.809 4.447 7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.513 5.937 8.205 1.00 0.00 H new ATOM 663 N ARG A 49 11.453 6.504 10.651 1.00 0.00 N ATOM 664 CA ARG A 49 11.388 7.404 11.837 1.00 0.00 C ATOM 665 C ARG A 49 12.480 7.015 12.833 1.00 0.00 C ATOM 666 O ARG A 49 12.266 6.216 13.723 1.00 0.00 O ATOM 667 CB ARG A 49 10.017 7.269 12.504 1.00 0.00 C ATOM 668 CG ARG A 49 8.935 7.783 11.553 1.00 0.00 C ATOM 669 CD ARG A 49 8.000 8.728 12.311 1.00 0.00 C ATOM 670 NE ARG A 49 7.334 7.981 13.417 1.00 0.00 N ATOM 671 CZ ARG A 49 6.592 8.619 14.280 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.321 8.792 14.044 1.00 0.00 N ATOM 673 NH2 ARG A 49 7.121 9.082 15.379 1.00 0.00 N ATOM 0 H ARG A 49 10.727 5.788 10.608 1.00 0.00 H new ATOM 0 HA ARG A 49 11.538 8.436 11.519 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.826 6.227 12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.996 7.835 13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.392 8.304 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.370 6.947 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.563 9.570 12.713 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.252 9.139 11.633 1.00 0.00 H new ATOM 0 HE ARG A 49 7.459 6.972 13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.908 8.429 13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.740 9.291 14.718 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.115 8.945 15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.541 9.581 16.054 1.00 0.00 H new ATOM 687 N GLY A 50 13.650 7.574 12.695 1.00 0.00 N ATOM 688 CA GLY A 50 14.750 7.234 13.638 1.00 0.00 C ATOM 689 C GLY A 50 16.074 7.160 12.875 1.00 0.00 C ATOM 690 O GLY A 50 16.628 8.164 12.472 1.00 0.00 O ATOM 0 H GLY A 50 13.891 8.251 11.971 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.813 7.985 14.425 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.545 6.280 14.124 1.00 0.00 H new ATOM 694 N ASP A 51 16.588 5.977 12.678 1.00 0.00 N ATOM 695 CA ASP A 51 17.879 5.834 11.948 1.00 0.00 C ATOM 696 C ASP A 51 17.991 4.419 11.377 1.00 0.00 C ATOM 697 O ASP A 51 19.025 3.786 11.461 1.00 0.00 O ATOM 698 CB ASP A 51 19.034 6.084 12.918 1.00 0.00 C ATOM 699 CG ASP A 51 19.584 7.496 12.710 1.00 0.00 C ATOM 700 OD1 ASP A 51 18.883 8.438 13.039 1.00 0.00 O ATOM 701 OD2 ASP A 51 20.697 7.609 12.226 1.00 0.00 O ATOM 0 H ASP A 51 16.169 5.102 12.992 1.00 0.00 H new ATOM 0 HA ASP A 51 17.920 6.556 11.133 1.00 0.00 H new ATOM 0 HB2 ASP A 51 18.691 5.964 13.946 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.822 5.349 12.757 1.00 0.00 H new ATOM 706 N TRP A 52 16.936 3.913 10.799 1.00 0.00 N ATOM 707 CA TRP A 52 16.989 2.537 10.230 1.00 0.00 C ATOM 708 C TRP A 52 16.433 2.548 8.804 1.00 0.00 C ATOM 709 O TRP A 52 16.199 3.591 8.227 1.00 0.00 O ATOM 710 CB TRP A 52 16.150 1.598 11.097 1.00 0.00 C ATOM 711 CG TRP A 52 14.916 2.311 11.550 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.001 2.875 10.731 1.00 0.00 C ATOM 713 CD2 TRP A 52 14.448 2.546 12.910 1.00 0.00 C ATOM 714 NE1 TRP A 52 12.999 3.439 11.499 1.00 0.00 N ATOM 715 CE2 TRP A 52 13.230 3.264 12.848 1.00 0.00 C ATOM 716 CE3 TRP A 52 14.957 2.210 14.177 1.00 0.00 C ATOM 717 CZ2 TRP A 52 12.541 3.635 14.002 1.00 0.00 C ATOM 718 CZ3 TRP A 52 14.264 2.582 15.342 1.00 0.00 C ATOM 719 CH2 TRP A 52 13.059 3.293 15.254 1.00 0.00 C ATOM 0 H TRP A 52 16.041 4.392 10.696 1.00 0.00 H new ATOM 0 HA TRP A 52 18.023 2.192 10.211 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.881 0.706 10.531 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.729 1.266 11.959 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.045 2.884 9.652 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.188 3.925 11.115 1.00 0.00 H new ATOM 0 HE3 TRP A 52 15.885 1.663 14.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.613 4.183 13.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.662 2.318 16.311 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.532 3.576 16.153 1.00 0.00 H new ATOM 730 N ASN A 53 16.222 1.394 8.231 1.00 0.00 N ATOM 731 CA ASN A 53 15.685 1.338 6.842 1.00 0.00 C ATOM 732 C ASN A 53 14.305 1.998 6.798 1.00 0.00 C ATOM 733 O ASN A 53 13.518 1.876 7.715 1.00 0.00 O ATOM 734 CB ASN A 53 15.562 -0.121 6.394 1.00 0.00 C ATOM 735 CG ASN A 53 15.459 -0.179 4.869 1.00 0.00 C ATOM 736 OD1 ASN A 53 15.709 0.801 4.194 1.00 0.00 O ATOM 737 ND2 ASN A 53 15.097 -1.292 4.293 1.00 0.00 N ATOM 0 H ASN A 53 16.398 0.488 8.665 1.00 0.00 H new ATOM 0 HA ASN A 53 16.365 1.867 6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 53 16.427 -0.691 6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 53 14.682 -0.579 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.024 -1.340 3.277 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.887 -2.114 4.859 1.00 0.00 H new ATOM 744 N ASP A 54 14.005 2.695 5.737 1.00 0.00 N ATOM 745 CA ASP A 54 12.676 3.362 5.634 1.00 0.00 C ATOM 746 C ASP A 54 11.604 2.310 5.331 1.00 0.00 C ATOM 747 O ASP A 54 11.655 1.202 5.825 1.00 0.00 O ATOM 748 CB ASP A 54 12.715 4.401 4.510 1.00 0.00 C ATOM 749 CG ASP A 54 14.051 5.144 4.545 1.00 0.00 C ATOM 750 OD1 ASP A 54 15.041 4.563 4.132 1.00 0.00 O ATOM 751 OD2 ASP A 54 14.062 6.283 4.982 1.00 0.00 O ATOM 0 H ASP A 54 14.622 2.832 4.937 1.00 0.00 H new ATOM 0 HA ASP A 54 12.439 3.859 6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.584 3.912 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.892 5.106 4.624 1.00 0.00 H new ATOM 756 N ASP A 55 10.631 2.644 4.523 1.00 0.00 N ATOM 757 CA ASP A 55 9.564 1.658 4.197 1.00 0.00 C ATOM 758 C ASP A 55 9.224 1.758 2.709 1.00 0.00 C ATOM 759 O ASP A 55 8.860 2.807 2.215 1.00 0.00 O ATOM 760 CB ASP A 55 8.322 1.959 5.036 1.00 0.00 C ATOM 761 CG ASP A 55 7.348 0.784 4.945 1.00 0.00 C ATOM 762 OD1 ASP A 55 7.699 -0.205 4.323 1.00 0.00 O ATOM 763 OD2 ASP A 55 6.265 0.896 5.496 1.00 0.00 O ATOM 0 H ASP A 55 10.531 3.556 4.077 1.00 0.00 H new ATOM 0 HA ASP A 55 9.911 0.649 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.605 2.131 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.842 2.871 4.681 1.00 0.00 H new ATOM 768 N ARG A 56 9.352 0.678 1.988 1.00 0.00 N ATOM 769 CA ARG A 56 9.053 0.710 0.527 1.00 0.00 C ATOM 770 C ARG A 56 7.694 0.076 0.244 1.00 0.00 C ATOM 771 O ARG A 56 7.305 -0.893 0.866 1.00 0.00 O ATOM 772 CB ARG A 56 10.133 -0.070 -0.219 1.00 0.00 C ATOM 773 CG ARG A 56 11.505 0.526 0.095 1.00 0.00 C ATOM 774 CD ARG A 56 11.882 1.539 -0.988 1.00 0.00 C ATOM 775 NE ARG A 56 13.347 1.801 -0.934 1.00 0.00 N ATOM 776 CZ ARG A 56 13.797 2.876 -0.347 1.00 0.00 C ATOM 777 NH1 ARG A 56 13.443 4.053 -0.782 1.00 0.00 N ATOM 778 NH2 ARG A 56 14.601 2.773 0.676 1.00 0.00 N ATOM 0 H ARG A 56 9.652 -0.228 2.348 1.00 0.00 H new ATOM 0 HA ARG A 56 9.034 1.747 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.106 -1.120 0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.946 -0.033 -1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.488 1.011 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.254 -0.265 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.606 1.157 -1.971 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.330 2.467 -0.841 1.00 0.00 H new ATOM 0 HE ARG A 56 13.999 1.140 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.814 4.133 -1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.795 4.893 -0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.878 1.852 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.953 3.613 1.135 1.00 0.00 H new ATOM 792 N CYS A 57 6.976 0.607 -0.708 1.00 0.00 N ATOM 793 CA CYS A 57 5.652 0.028 -1.054 1.00 0.00 C ATOM 794 C CYS A 57 5.878 -1.237 -1.873 1.00 0.00 C ATOM 795 O CYS A 57 6.893 -1.379 -2.531 1.00 0.00 O ATOM 796 CB CYS A 57 4.849 1.025 -1.887 1.00 0.00 C ATOM 797 SG CYS A 57 3.785 2.008 -0.805 1.00 0.00 S ATOM 0 H CYS A 57 7.252 1.419 -1.261 1.00 0.00 H new ATOM 0 HA CYS A 57 5.101 -0.200 -0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.524 1.678 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.245 0.495 -2.623 1.00 0.00 H new ATOM 802 N THR A 58 4.942 -2.147 -1.836 1.00 0.00 N ATOM 803 CA THR A 58 5.080 -3.416 -2.604 1.00 0.00 C ATOM 804 C THR A 58 4.859 -3.143 -4.091 1.00 0.00 C ATOM 805 O THR A 58 5.257 -3.917 -4.941 1.00 0.00 O ATOM 806 CB THR A 58 4.029 -4.415 -2.112 1.00 0.00 C ATOM 807 OG1 THR A 58 3.260 -3.818 -1.078 1.00 0.00 O ATOM 808 CG2 THR A 58 4.721 -5.669 -1.574 1.00 0.00 C ATOM 0 H THR A 58 4.078 -2.063 -1.300 1.00 0.00 H new ATOM 0 HA THR A 58 6.079 -3.825 -2.456 1.00 0.00 H new ATOM 0 HB THR A 58 3.377 -4.692 -2.940 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.871 -4.518 -0.514 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.970 -6.378 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.311 -6.128 -2.367 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.375 -5.397 -0.746 1.00 0.00 H new ATOM 816 N GLY A 59 4.223 -2.052 -4.415 1.00 0.00 N ATOM 817 CA GLY A 59 3.971 -1.734 -5.847 1.00 0.00 C ATOM 818 C GLY A 59 2.614 -2.305 -6.259 1.00 0.00 C ATOM 819 O GLY A 59 1.858 -1.680 -6.977 1.00 0.00 O ATOM 0 H GLY A 59 3.867 -1.367 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.986 -0.655 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.760 -2.155 -6.470 1.00 0.00 H new ATOM 823 N GLN A 60 2.297 -3.488 -5.809 1.00 0.00 N ATOM 824 CA GLN A 60 0.989 -4.098 -6.173 1.00 0.00 C ATOM 825 C GLN A 60 0.050 -4.052 -4.964 1.00 0.00 C ATOM 826 O GLN A 60 -1.039 -4.588 -4.992 1.00 0.00 O ATOM 827 CB GLN A 60 1.204 -5.552 -6.597 1.00 0.00 C ATOM 828 CG GLN A 60 1.955 -5.589 -7.930 1.00 0.00 C ATOM 829 CD GLN A 60 1.660 -6.908 -8.646 1.00 0.00 C ATOM 830 OE1 GLN A 60 0.617 -7.501 -8.447 1.00 0.00 O ATOM 831 NE2 GLN A 60 2.539 -7.395 -9.477 1.00 0.00 N ATOM 0 H GLN A 60 2.888 -4.058 -5.205 1.00 0.00 H new ATOM 0 HA GLN A 60 0.546 -3.541 -6.999 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.771 -6.085 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.244 -6.059 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.651 -4.748 -8.554 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.027 -5.488 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.414 -6.897 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.352 -8.274 -9.960 1.00 0.00 H new ATOM 840 N SER A 61 0.463 -3.415 -3.902 1.00 0.00 N ATOM 841 CA SER A 61 -0.406 -3.335 -2.693 1.00 0.00 C ATOM 842 C SER A 61 -0.639 -1.866 -2.330 1.00 0.00 C ATOM 843 O SER A 61 0.288 -1.090 -2.227 1.00 0.00 O ATOM 844 CB SER A 61 0.280 -4.045 -1.526 1.00 0.00 C ATOM 845 OG SER A 61 -0.603 -5.016 -0.981 1.00 0.00 O ATOM 0 H SER A 61 1.365 -2.946 -3.819 1.00 0.00 H new ATOM 0 HA SER A 61 -1.363 -3.815 -2.899 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.199 -4.523 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.561 -3.322 -0.760 1.00 0.00 H new ATOM 0 HG SER A 61 -0.165 -5.474 -0.234 1.00 0.00 H new ATOM 851 N ALA A 62 -1.872 -1.480 -2.136 1.00 0.00 N ATOM 852 CA ALA A 62 -2.162 -0.061 -1.781 1.00 0.00 C ATOM 853 C ALA A 62 -1.665 0.226 -0.363 1.00 0.00 C ATOM 854 O ALA A 62 -1.253 1.325 -0.049 1.00 0.00 O ATOM 855 CB ALA A 62 -3.671 0.184 -1.844 1.00 0.00 C ATOM 0 H ALA A 62 -2.690 -2.085 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.654 0.596 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.882 1.221 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.031 -0.018 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.177 -0.477 -1.140 1.00 0.00 H new ATOM 861 N ASP A 63 -1.707 -0.752 0.499 1.00 0.00 N ATOM 862 CA ASP A 63 -1.244 -0.533 1.898 1.00 0.00 C ATOM 863 C ASP A 63 0.243 -0.876 2.007 1.00 0.00 C ATOM 864 O ASP A 63 0.627 -2.029 1.978 1.00 0.00 O ATOM 865 CB ASP A 63 -2.048 -1.428 2.842 1.00 0.00 C ATOM 866 CG ASP A 63 -3.534 -1.081 2.730 1.00 0.00 C ATOM 867 OD1 ASP A 63 -4.014 -0.978 1.613 1.00 0.00 O ATOM 868 OD2 ASP A 63 -4.165 -0.924 3.762 1.00 0.00 O ATOM 0 H ASP A 63 -2.042 -1.694 0.295 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.392 0.512 2.172 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.888 -2.477 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.708 -1.291 3.868 1.00 0.00 H new ATOM 873 N CYS A 64 1.083 0.115 2.135 1.00 0.00 N ATOM 874 CA CYS A 64 2.542 -0.158 2.249 1.00 0.00 C ATOM 875 C CYS A 64 2.780 -1.178 3.362 1.00 0.00 C ATOM 876 O CYS A 64 2.317 -1.006 4.472 1.00 0.00 O ATOM 877 CB CYS A 64 3.286 1.143 2.559 1.00 0.00 C ATOM 878 SG CYS A 64 5.008 0.772 2.973 1.00 0.00 S ATOM 0 H CYS A 64 0.821 1.100 2.165 1.00 0.00 H new ATOM 0 HA CYS A 64 2.915 -0.561 1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.244 1.812 1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.805 1.660 3.389 1.00 0.00 H new ATOM 883 N PRO A 65 3.492 -2.220 3.019 1.00 0.00 N ATOM 884 CA PRO A 65 3.808 -3.306 3.952 1.00 0.00 C ATOM 885 C PRO A 65 4.908 -2.884 4.930 1.00 0.00 C ATOM 886 O PRO A 65 5.530 -1.851 4.775 1.00 0.00 O ATOM 887 CB PRO A 65 4.288 -4.430 3.035 1.00 0.00 C ATOM 888 CG PRO A 65 4.743 -3.773 1.719 1.00 0.00 C ATOM 889 CD PRO A 65 4.050 -2.409 1.661 1.00 0.00 C ATOM 0 HA PRO A 65 2.960 -3.597 4.572 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.109 -4.980 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.488 -5.147 2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.827 -3.660 1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.467 -4.387 0.862 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.754 -1.616 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.266 -2.394 0.904 1.00 0.00 H new ATOM 897 N ARG A 66 5.149 -3.678 5.939 1.00 0.00 N ATOM 898 CA ARG A 66 6.203 -3.329 6.932 1.00 0.00 C ATOM 899 C ARG A 66 7.562 -3.831 6.439 1.00 0.00 C ATOM 900 O ARG A 66 7.759 -5.011 6.226 1.00 0.00 O ATOM 901 CB ARG A 66 5.876 -3.986 8.275 1.00 0.00 C ATOM 902 CG ARG A 66 5.750 -5.500 8.087 1.00 0.00 C ATOM 903 CD ARG A 66 6.999 -6.191 8.638 1.00 0.00 C ATOM 904 NE ARG A 66 6.597 -7.403 9.408 1.00 0.00 N ATOM 905 CZ ARG A 66 7.505 -8.136 9.994 1.00 0.00 C ATOM 906 NH1 ARG A 66 8.677 -8.290 9.441 1.00 0.00 N ATOM 907 NH2 ARG A 66 7.242 -8.716 11.133 1.00 0.00 N ATOM 0 H ARG A 66 4.660 -4.555 6.118 1.00 0.00 H new ATOM 0 HA ARG A 66 6.239 -2.246 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.658 -3.763 9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.946 -3.580 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.862 -5.868 8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.628 -5.737 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.664 -6.470 7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.553 -5.506 9.280 1.00 0.00 H new ATOM 0 HE ARG A 66 5.612 -7.660 9.477 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.884 -7.838 8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.386 -8.863 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.326 -8.597 11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.952 -9.288 11.590 1.00 0.00 H new ATOM 921 N ASN A 67 8.500 -2.943 6.257 1.00 0.00 N ATOM 922 CA ASN A 67 9.846 -3.368 5.779 1.00 0.00 C ATOM 923 C ASN A 67 10.904 -2.962 6.807 1.00 0.00 C ATOM 924 O ASN A 67 11.992 -3.503 6.840 1.00 0.00 O ATOM 925 CB ASN A 67 10.148 -2.689 4.442 1.00 0.00 C ATOM 926 CG ASN A 67 11.205 -3.497 3.688 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.966 -4.232 4.286 1.00 0.00 O ATOM 928 ND2 ASN A 67 11.284 -3.391 2.390 1.00 0.00 N ATOM 0 H ASN A 67 8.393 -1.942 6.419 1.00 0.00 H new ATOM 0 HA ASN A 67 9.862 -4.450 5.650 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.238 -2.614 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.503 -1.672 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.985 -3.925 1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.645 -2.774 1.889 1.00 0.00 H new ATOM 935 N GLY A 68 10.596 -2.012 7.647 1.00 0.00 N ATOM 936 CA GLY A 68 11.584 -1.571 8.671 1.00 0.00 C ATOM 937 C GLY A 68 11.780 -2.682 9.706 1.00 0.00 C ATOM 938 O GLY A 68 10.923 -3.521 9.901 1.00 0.00 O ATOM 0 H GLY A 68 9.702 -1.522 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.535 -1.332 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.235 -0.662 9.160 1.00 0.00 H new ATOM 942 N LEU A 69 12.904 -2.695 10.371 1.00 0.00 N ATOM 943 CA LEU A 69 13.155 -3.750 11.392 1.00 0.00 C ATOM 944 C LEU A 69 12.297 -3.473 12.629 1.00 0.00 C ATOM 945 O LEU A 69 12.528 -2.528 13.357 1.00 0.00 O ATOM 946 CB LEU A 69 14.635 -3.742 11.784 1.00 0.00 C ATOM 947 CG LEU A 69 15.099 -2.301 12.009 1.00 0.00 C ATOM 948 CD1 LEU A 69 15.764 -2.188 13.382 1.00 0.00 C ATOM 949 CD2 LEU A 69 16.105 -1.913 10.923 1.00 0.00 C ATOM 0 H LEU A 69 13.659 -2.020 10.250 1.00 0.00 H new ATOM 0 HA LEU A 69 12.896 -4.725 10.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.785 -4.329 12.690 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.232 -4.209 11.000 1.00 0.00 H new ATOM 0 HG LEU A 69 14.240 -1.632 11.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.095 -1.162 13.543 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.049 -2.464 14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.623 -2.857 13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.436 -0.887 11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.964 -2.582 10.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.633 -1.993 9.944 1.00 0.00 H new ATOM 961 N TYR A 70 11.306 -4.287 12.871 1.00 0.00 N ATOM 962 CA TYR A 70 10.434 -4.067 14.058 1.00 0.00 C ATOM 963 C TYR A 70 10.134 -5.408 14.730 1.00 0.00 C ATOM 964 O TYR A 70 10.346 -6.461 14.161 1.00 0.00 O ATOM 965 CB TYR A 70 9.121 -3.419 13.613 1.00 0.00 C ATOM 966 CG TYR A 70 9.372 -1.979 13.234 1.00 0.00 C ATOM 967 CD1 TYR A 70 9.395 -0.989 14.224 1.00 0.00 C ATOM 968 CD2 TYR A 70 9.579 -1.634 11.893 1.00 0.00 C ATOM 969 CE1 TYR A 70 9.627 0.346 13.874 1.00 0.00 C ATOM 970 CE2 TYR A 70 9.810 -0.299 11.542 1.00 0.00 C ATOM 971 CZ TYR A 70 9.834 0.691 12.533 1.00 0.00 C ATOM 972 OH TYR A 70 10.062 2.008 12.188 1.00 0.00 O ATOM 0 H TYR A 70 11.063 -5.095 12.298 1.00 0.00 H new ATOM 0 HA TYR A 70 10.944 -3.412 14.764 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.705 -3.962 12.765 1.00 0.00 H new ATOM 0 HB3 TYR A 70 8.387 -3.472 14.417 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.234 -1.256 15.258 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.560 -2.398 11.130 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.646 1.109 14.638 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.970 -0.032 10.508 1.00 0.00 H new ATOM 0 HH TYR A 70 10.928 2.295 12.547 1.00 0.00 H new ATOM 982 N GLY A 71 9.643 -5.379 15.940 1.00 0.00 N ATOM 983 CA GLY A 71 9.330 -6.651 16.648 1.00 0.00 C ATOM 984 C GLY A 71 7.960 -7.163 16.197 1.00 0.00 C ATOM 985 O GLY A 71 7.530 -6.775 15.122 1.00 0.00 O ATOM 986 OXT GLY A 71 7.364 -7.931 16.932 1.00 0.00 O ATOM 0 H GLY A 71 9.446 -4.529 16.468 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.097 -7.396 16.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.333 -6.490 17.726 1.00 0.00 H new TER 990 GLY A 71