USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 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= -1.13 K(o=-1.1,f=-7.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.03! USER MOD Single : A 20 LYS NZ :NH3+ -133:sc= -0.55 (180deg=-1.44) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -96:sc= -3.05! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.737! C(o=-0.74!,f=-8.8!) USER MOD Single : A 58 THR OG1 : rot -65:sc= -1.59! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -54:sc= 0.0755 USER MOD Single : A 67 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 3 -17.855 -5.221 1.142 1.00 0.00 N ATOM 31 CA GLU A 3 -18.399 -4.303 0.101 1.00 0.00 C ATOM 32 C GLU A 3 -17.793 -2.910 0.269 1.00 0.00 C ATOM 33 O GLU A 3 -18.188 -1.973 -0.389 1.00 0.00 O ATOM 34 CB GLU A 3 -19.920 -4.214 0.251 1.00 0.00 C ATOM 35 CG GLU A 3 -20.585 -4.428 -1.110 1.00 0.00 C ATOM 36 CD GLU A 3 -22.079 -4.687 -0.910 1.00 0.00 C ATOM 37 OE1 GLU A 3 -22.479 -4.887 0.224 1.00 0.00 O ATOM 38 OE2 GLU A 3 -22.798 -4.682 -1.896 1.00 0.00 O ATOM 0 HA GLU A 3 -18.146 -4.689 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.270 -4.965 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.199 -3.240 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.438 -3.551 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.124 -5.272 -1.624 1.00 0.00 H new ATOM 45 N CYS A 4 -16.835 -2.766 1.141 1.00 0.00 N ATOM 46 CA CYS A 4 -16.206 -1.429 1.345 1.00 0.00 C ATOM 47 C CYS A 4 -14.689 -1.564 1.183 1.00 0.00 C ATOM 48 O CYS A 4 -13.989 -1.970 2.089 1.00 0.00 O ATOM 49 CB CYS A 4 -16.542 -0.925 2.750 1.00 0.00 C ATOM 50 SG CYS A 4 -18.310 -0.527 2.851 1.00 0.00 S ATOM 0 H CYS A 4 -16.459 -3.516 1.722 1.00 0.00 H new ATOM 0 HA CYS A 4 -16.585 -0.718 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -16.288 -1.684 3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -15.947 -0.042 2.982 1.00 0.00 H new ATOM 55 N ASP A 5 -14.184 -1.234 0.026 1.00 0.00 N ATOM 56 CA ASP A 5 -12.720 -1.349 -0.221 1.00 0.00 C ATOM 57 C ASP A 5 -12.017 -0.050 0.188 1.00 0.00 C ATOM 58 O ASP A 5 -10.832 0.115 -0.021 1.00 0.00 O ATOM 59 CB ASP A 5 -12.486 -1.609 -1.713 1.00 0.00 C ATOM 60 CG ASP A 5 -11.425 -2.698 -1.883 1.00 0.00 C ATOM 61 OD1 ASP A 5 -11.755 -3.855 -1.685 1.00 0.00 O ATOM 62 OD2 ASP A 5 -10.300 -2.355 -2.209 1.00 0.00 O ATOM 0 H ASP A 5 -14.728 -0.887 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.315 -2.172 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.417 -1.916 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.163 -0.692 -2.206 1.00 0.00 H new ATOM 67 N CYS A 6 -12.734 0.872 0.771 1.00 0.00 N ATOM 68 CA CYS A 6 -12.096 2.153 1.191 1.00 0.00 C ATOM 69 C CYS A 6 -12.755 2.656 2.477 1.00 0.00 C ATOM 70 O CYS A 6 -13.835 2.233 2.839 1.00 0.00 O ATOM 71 CB CYS A 6 -12.270 3.197 0.086 1.00 0.00 C ATOM 72 SG CYS A 6 -14.033 3.501 -0.185 1.00 0.00 S ATOM 0 H CYS A 6 -13.731 0.795 0.974 1.00 0.00 H new ATOM 0 HA CYS A 6 -11.034 1.987 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.769 4.124 0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.804 2.848 -0.836 1.00 0.00 H new ATOM 77 N SER A 7 -12.113 3.555 3.172 1.00 0.00 N ATOM 78 CA SER A 7 -12.704 4.083 4.435 1.00 0.00 C ATOM 79 C SER A 7 -13.116 5.544 4.238 1.00 0.00 C ATOM 80 O SER A 7 -13.698 6.156 5.111 1.00 0.00 O ATOM 81 CB SER A 7 -11.671 3.990 5.558 1.00 0.00 C ATOM 82 OG SER A 7 -12.198 3.197 6.614 1.00 0.00 O ATOM 0 H SER A 7 -11.205 3.947 2.920 1.00 0.00 H new ATOM 0 HA SER A 7 -13.582 3.493 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.747 3.550 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.424 4.986 5.924 1.00 0.00 H new ATOM 0 HG SER A 7 -11.538 3.133 7.336 1.00 0.00 H new ATOM 88 N SER A 8 -12.820 6.110 3.099 1.00 0.00 N ATOM 89 CA SER A 8 -13.199 7.530 2.854 1.00 0.00 C ATOM 90 C SER A 8 -14.387 7.580 1.885 1.00 0.00 C ATOM 91 O SER A 8 -14.227 7.343 0.705 1.00 0.00 O ATOM 92 CB SER A 8 -12.012 8.273 2.239 1.00 0.00 C ATOM 93 OG SER A 8 -10.843 7.473 2.364 1.00 0.00 O ATOM 0 H SER A 8 -12.333 5.651 2.329 1.00 0.00 H new ATOM 0 HA SER A 8 -13.477 8.001 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.208 8.490 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.867 9.230 2.740 1.00 0.00 H new ATOM 0 HG SER A 8 -10.080 7.945 1.970 1.00 0.00 H new ATOM 99 N PRO A 9 -15.549 7.889 2.412 1.00 0.00 N ATOM 100 CA PRO A 9 -16.785 7.979 1.612 1.00 0.00 C ATOM 101 C PRO A 9 -16.870 9.325 0.878 1.00 0.00 C ATOM 102 O PRO A 9 -17.944 9.813 0.588 1.00 0.00 O ATOM 103 CB PRO A 9 -17.896 7.871 2.662 1.00 0.00 C ATOM 104 CG PRO A 9 -17.268 8.301 4.010 1.00 0.00 C ATOM 105 CD PRO A 9 -15.741 8.169 3.850 1.00 0.00 C ATOM 0 HA PRO A 9 -16.844 7.212 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -18.738 8.513 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.278 6.852 2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.544 9.326 4.256 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.628 7.670 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.229 9.083 4.149 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.344 7.364 4.469 1.00 0.00 H new ATOM 113 N GLU A 10 -15.753 9.926 0.568 1.00 0.00 N ATOM 114 CA GLU A 10 -15.779 11.229 -0.149 1.00 0.00 C ATOM 115 C GLU A 10 -14.524 11.336 -1.009 1.00 0.00 C ATOM 116 O GLU A 10 -14.117 12.407 -1.412 1.00 0.00 O ATOM 117 CB GLU A 10 -15.809 12.377 0.862 1.00 0.00 C ATOM 118 CG GLU A 10 -16.801 13.443 0.395 1.00 0.00 C ATOM 119 CD GLU A 10 -16.555 14.743 1.162 1.00 0.00 C ATOM 120 OE1 GLU A 10 -15.417 15.182 1.196 1.00 0.00 O ATOM 121 OE2 GLU A 10 -17.509 15.279 1.703 1.00 0.00 O ATOM 0 H GLU A 10 -14.822 9.568 0.782 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.668 11.289 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.097 12.003 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.814 12.811 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.690 13.614 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.823 13.100 0.558 1.00 0.00 H new ATOM 128 N ASN A 11 -13.905 10.223 -1.288 1.00 0.00 N ATOM 129 CA ASN A 11 -12.672 10.239 -2.117 1.00 0.00 C ATOM 130 C ASN A 11 -13.030 9.862 -3.558 1.00 0.00 C ATOM 131 O ASN A 11 -13.900 9.043 -3.781 1.00 0.00 O ATOM 132 CB ASN A 11 -11.677 9.226 -1.547 1.00 0.00 C ATOM 133 CG ASN A 11 -12.274 7.821 -1.629 1.00 0.00 C ATOM 134 OD1 ASN A 11 -13.474 7.662 -1.730 1.00 0.00 O ATOM 135 ND2 ASN A 11 -11.480 6.786 -1.589 1.00 0.00 N ATOM 0 H ASN A 11 -14.203 9.299 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.225 11.233 -2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.741 9.268 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.443 9.473 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.867 5.844 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.472 6.919 -1.504 1.00 0.00 H new ATOM 142 N PRO A 12 -12.353 10.475 -4.495 1.00 0.00 N ATOM 143 CA PRO A 12 -12.582 10.231 -5.931 1.00 0.00 C ATOM 144 C PRO A 12 -11.906 8.929 -6.381 1.00 0.00 C ATOM 145 O PRO A 12 -11.305 8.867 -7.435 1.00 0.00 O ATOM 146 CB PRO A 12 -11.929 11.440 -6.607 1.00 0.00 C ATOM 147 CG PRO A 12 -10.891 11.994 -5.601 1.00 0.00 C ATOM 148 CD PRO A 12 -11.299 11.470 -4.211 1.00 0.00 C ATOM 0 HA PRO A 12 -13.638 10.121 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.448 11.150 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.674 12.197 -6.853 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.886 11.662 -5.860 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.881 13.084 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.454 11.018 -3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.671 12.274 -3.575 1.00 0.00 H new ATOM 156 N CYS A 13 -12.003 7.889 -5.598 1.00 0.00 N ATOM 157 CA CYS A 13 -11.371 6.600 -5.994 1.00 0.00 C ATOM 158 C CYS A 13 -12.388 5.467 -5.827 1.00 0.00 C ATOM 159 O CYS A 13 -12.543 4.624 -6.689 1.00 0.00 O ATOM 160 CB CYS A 13 -10.154 6.331 -5.105 1.00 0.00 C ATOM 161 SG CYS A 13 -8.942 7.661 -5.309 1.00 0.00 S ATOM 0 H CYS A 13 -12.492 7.877 -4.703 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.051 6.654 -7.035 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -10.462 6.264 -4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.705 5.373 -5.367 1.00 0.00 H new ATOM 166 N CYS A 14 -13.084 5.444 -4.723 1.00 0.00 N ATOM 167 CA CYS A 14 -14.089 4.368 -4.498 1.00 0.00 C ATOM 168 C CYS A 14 -15.488 4.980 -4.405 1.00 0.00 C ATOM 169 O CYS A 14 -15.651 6.138 -4.073 1.00 0.00 O ATOM 170 CB CYS A 14 -13.769 3.632 -3.195 1.00 0.00 C ATOM 171 SG CYS A 14 -14.083 4.729 -1.789 1.00 0.00 S ATOM 0 H CYS A 14 -13.000 6.124 -3.968 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.055 3.666 -5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.381 2.734 -3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.728 3.310 -3.193 1.00 0.00 H new ATOM 176 N ASP A 15 -16.497 4.206 -4.688 1.00 0.00 N ATOM 177 CA ASP A 15 -17.888 4.726 -4.613 1.00 0.00 C ATOM 178 C ASP A 15 -18.322 4.786 -3.152 1.00 0.00 C ATOM 179 O ASP A 15 -18.043 3.890 -2.381 1.00 0.00 O ATOM 180 CB ASP A 15 -18.822 3.781 -5.365 1.00 0.00 C ATOM 181 CG ASP A 15 -20.178 4.459 -5.577 1.00 0.00 C ATOM 182 OD1 ASP A 15 -20.300 5.210 -6.529 1.00 0.00 O ATOM 183 OD2 ASP A 15 -21.071 4.215 -4.781 1.00 0.00 O ATOM 0 H ASP A 15 -16.416 3.229 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.930 5.721 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.385 3.511 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.951 2.857 -4.802 1.00 0.00 H new ATOM 188 N ALA A 16 -19.009 5.826 -2.765 1.00 0.00 N ATOM 189 CA ALA A 16 -19.467 5.935 -1.352 1.00 0.00 C ATOM 190 C ALA A 16 -20.631 4.970 -1.125 1.00 0.00 C ATOM 191 O ALA A 16 -20.759 4.367 -0.078 1.00 0.00 O ATOM 192 CB ALA A 16 -19.928 7.365 -1.071 1.00 0.00 C ATOM 0 H ALA A 16 -19.273 6.606 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 16 -18.645 5.683 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.263 7.443 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.100 8.054 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.751 7.620 -1.739 1.00 0.00 H new ATOM 198 N ALA A 17 -21.483 4.817 -2.105 1.00 0.00 N ATOM 199 CA ALA A 17 -22.641 3.891 -1.952 1.00 0.00 C ATOM 200 C ALA A 17 -22.129 2.454 -1.820 1.00 0.00 C ATOM 201 O ALA A 17 -22.628 1.677 -1.030 1.00 0.00 O ATOM 202 CB ALA A 17 -23.542 3.999 -3.185 1.00 0.00 C ATOM 0 H ALA A 17 -21.426 5.294 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 17 -23.208 4.159 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -24.390 3.323 -3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.904 5.022 -3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.974 3.729 -4.075 1.00 0.00 H new ATOM 208 N THR A 18 -21.137 2.096 -2.588 1.00 0.00 N ATOM 209 CA THR A 18 -20.591 0.712 -2.508 1.00 0.00 C ATOM 210 C THR A 18 -19.206 0.747 -1.855 1.00 0.00 C ATOM 211 O THR A 18 -18.491 -0.232 -1.855 1.00 0.00 O ATOM 212 CB THR A 18 -20.475 0.125 -3.918 1.00 0.00 C ATOM 213 OG1 THR A 18 -19.516 0.865 -4.661 1.00 0.00 O ATOM 214 CG2 THR A 18 -21.833 0.200 -4.617 1.00 0.00 C ATOM 0 H THR A 18 -20.680 2.703 -3.269 1.00 0.00 H new ATOM 0 HA THR A 18 -21.260 0.092 -1.911 1.00 0.00 H new ATOM 0 HB THR A 18 -20.159 -0.916 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 18 -19.440 0.489 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 18 -21.749 -0.218 -5.620 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.568 -0.369 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.151 1.240 -4.683 1.00 0.00 H new ATOM 222 N CYS A 19 -18.829 1.876 -1.307 1.00 0.00 N ATOM 223 CA CYS A 19 -17.489 2.012 -0.648 1.00 0.00 C ATOM 224 C CYS A 19 -16.451 1.145 -1.358 1.00 0.00 C ATOM 225 O CYS A 19 -15.601 0.550 -0.731 1.00 0.00 O ATOM 226 CB CYS A 19 -17.563 1.590 0.823 1.00 0.00 C ATOM 227 SG CYS A 19 -18.783 0.273 1.052 1.00 0.00 S ATOM 0 H CYS A 19 -19.399 2.721 -1.287 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.195 3.060 -0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.584 1.247 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.828 2.449 1.440 1.00 0.00 H new ATOM 232 N LYS A 20 -16.502 1.069 -2.655 1.00 0.00 N ATOM 233 CA LYS A 20 -15.500 0.235 -3.381 1.00 0.00 C ATOM 234 C LYS A 20 -14.999 0.992 -4.612 1.00 0.00 C ATOM 235 O LYS A 20 -15.524 2.023 -4.974 1.00 0.00 O ATOM 236 CB LYS A 20 -16.135 -1.087 -3.819 1.00 0.00 C ATOM 237 CG LYS A 20 -16.533 -1.912 -2.590 1.00 0.00 C ATOM 238 CD LYS A 20 -15.817 -3.264 -2.636 1.00 0.00 C ATOM 239 CE LYS A 20 -16.341 -4.080 -3.819 1.00 0.00 C ATOM 240 NZ LYS A 20 -17.821 -4.212 -3.716 1.00 0.00 N ATOM 0 H LYS A 20 -17.187 1.543 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.663 0.025 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.013 -0.891 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.433 -1.651 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.268 -1.378 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.613 -2.060 -2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.742 -3.115 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.982 -3.806 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.073 -3.593 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.877 -5.066 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.093 -5.203 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.131 -3.917 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.274 -3.608 -4.431 1.00 0.00 H new ATOM 254 N LEU A 21 -13.982 0.491 -5.258 1.00 0.00 N ATOM 255 CA LEU A 21 -13.449 1.192 -6.462 1.00 0.00 C ATOM 256 C LEU A 21 -14.535 1.282 -7.534 1.00 0.00 C ATOM 257 O LEU A 21 -15.011 0.283 -8.036 1.00 0.00 O ATOM 258 CB LEU A 21 -12.251 0.419 -7.014 1.00 0.00 C ATOM 259 CG LEU A 21 -11.028 0.674 -6.134 1.00 0.00 C ATOM 260 CD1 LEU A 21 -10.743 -0.567 -5.285 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.818 0.972 -7.021 1.00 0.00 C ATOM 0 H LEU A 21 -13.498 -0.371 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.137 2.198 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.475 -0.647 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.046 0.729 -8.039 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.220 1.525 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.871 -0.386 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.606 -0.782 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.549 -1.418 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.944 1.154 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.626 0.120 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.020 1.855 -7.628 1.00 0.00 H new ATOM 273 N ARG A 22 -14.932 2.474 -7.887 1.00 0.00 N ATOM 274 CA ARG A 22 -15.989 2.629 -8.924 1.00 0.00 C ATOM 275 C ARG A 22 -15.357 2.611 -10.329 1.00 0.00 C ATOM 276 O ARG A 22 -15.791 1.863 -11.183 1.00 0.00 O ATOM 277 CB ARG A 22 -16.754 3.944 -8.676 1.00 0.00 C ATOM 278 CG ARG A 22 -17.215 4.567 -10.001 1.00 0.00 C ATOM 279 CD ARG A 22 -18.206 3.627 -10.690 1.00 0.00 C ATOM 280 NE ARG A 22 -18.421 4.073 -12.096 1.00 0.00 N ATOM 281 CZ ARG A 22 -19.630 4.306 -12.530 1.00 0.00 C ATOM 282 NH1 ARG A 22 -20.489 4.924 -11.767 1.00 0.00 N ATOM 283 NH2 ARG A 22 -19.979 3.919 -13.726 1.00 0.00 N ATOM 0 H ARG A 22 -14.570 3.346 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.692 1.798 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.618 3.752 -8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.114 4.647 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.683 5.534 -9.817 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.357 4.746 -10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -17.825 2.606 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.153 3.621 -10.150 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.623 4.196 -12.719 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.216 5.225 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.434 5.106 -12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.307 3.435 -14.322 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.923 4.101 -14.066 1.00 0.00 H new ATOM 297 N PRO A 23 -14.361 3.438 -10.535 1.00 0.00 N ATOM 298 CA PRO A 23 -13.673 3.532 -11.836 1.00 0.00 C ATOM 299 C PRO A 23 -12.675 2.383 -12.005 1.00 0.00 C ATOM 300 O PRO A 23 -12.708 1.406 -11.282 1.00 0.00 O ATOM 301 CB PRO A 23 -12.948 4.878 -11.762 1.00 0.00 C ATOM 302 CG PRO A 23 -12.788 5.204 -10.259 1.00 0.00 C ATOM 303 CD PRO A 23 -13.826 4.350 -9.505 1.00 0.00 C ATOM 0 HA PRO A 23 -14.354 3.464 -12.684 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.977 4.824 -12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.519 5.655 -12.270 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.778 4.974 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.953 6.265 -10.074 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.367 3.799 -8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.613 4.969 -9.073 1.00 0.00 H new ATOM 311 N GLY A 24 -11.790 2.494 -12.958 1.00 0.00 N ATOM 312 CA GLY A 24 -10.789 1.412 -13.178 1.00 0.00 C ATOM 313 C GLY A 24 -9.587 1.635 -12.261 1.00 0.00 C ATOM 314 O GLY A 24 -8.449 1.522 -12.672 1.00 0.00 O ATOM 0 H GLY A 24 -11.717 3.288 -13.594 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.238 0.440 -12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.469 1.405 -14.220 1.00 0.00 H new ATOM 318 N ALA A 25 -9.829 1.951 -11.019 1.00 0.00 N ATOM 319 CA ALA A 25 -8.703 2.183 -10.073 1.00 0.00 C ATOM 320 C ALA A 25 -8.319 0.863 -9.401 1.00 0.00 C ATOM 321 O ALA A 25 -9.112 -0.053 -9.311 1.00 0.00 O ATOM 322 CB ALA A 25 -9.138 3.190 -9.006 1.00 0.00 C ATOM 0 H ALA A 25 -10.761 2.059 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.844 2.575 -10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.316 3.362 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.413 4.130 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.996 2.796 -8.462 1.00 0.00 H new ATOM 328 N GLN A 26 -7.108 0.761 -8.924 1.00 0.00 N ATOM 329 CA GLN A 26 -6.673 -0.499 -8.255 1.00 0.00 C ATOM 330 C GLN A 26 -6.891 -0.373 -6.747 1.00 0.00 C ATOM 331 O GLN A 26 -6.909 -1.353 -6.028 1.00 0.00 O ATOM 332 CB GLN A 26 -5.187 -0.738 -8.534 1.00 0.00 C ATOM 333 CG GLN A 26 -5.024 -1.980 -9.410 1.00 0.00 C ATOM 334 CD GLN A 26 -4.682 -1.556 -10.839 1.00 0.00 C ATOM 335 OE1 GLN A 26 -3.652 -0.957 -11.077 1.00 0.00 O ATOM 336 NE2 GLN A 26 -5.509 -1.842 -11.806 1.00 0.00 N ATOM 0 H GLN A 26 -6.401 1.495 -8.968 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.255 -1.336 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.756 0.130 -9.032 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.647 -0.868 -7.596 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.236 -2.619 -9.011 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.943 -2.566 -9.403 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.374 -2.345 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.291 -1.563 -12.763 1.00 0.00 H new ATOM 345 N CYS A 27 -7.052 0.826 -6.261 1.00 0.00 N ATOM 346 CA CYS A 27 -7.263 1.016 -4.798 1.00 0.00 C ATOM 347 C CYS A 27 -8.043 2.307 -4.559 1.00 0.00 C ATOM 348 O CYS A 27 -8.154 3.149 -5.428 1.00 0.00 O ATOM 349 CB CYS A 27 -5.906 1.116 -4.102 1.00 0.00 C ATOM 350 SG CYS A 27 -4.870 2.305 -4.987 1.00 0.00 S ATOM 0 H CYS A 27 -7.047 1.683 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.823 0.170 -4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.037 1.430 -3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.422 0.139 -4.080 1.00 0.00 H new ATOM 355 N GLY A 28 -8.574 2.475 -3.381 1.00 0.00 N ATOM 356 CA GLY A 28 -9.335 3.715 -3.075 1.00 0.00 C ATOM 357 C GLY A 28 -8.479 4.614 -2.201 1.00 0.00 C ATOM 358 O GLY A 28 -8.389 5.807 -2.415 1.00 0.00 O ATOM 0 H GLY A 28 -8.513 1.804 -2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.603 4.230 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.267 3.469 -2.565 1.00 0.00 H new ATOM 362 N GLU A 29 -7.851 4.053 -1.216 1.00 0.00 N ATOM 363 CA GLU A 29 -7.003 4.874 -0.325 1.00 0.00 C ATOM 364 C GLU A 29 -5.831 4.032 0.186 1.00 0.00 C ATOM 365 O GLU A 29 -5.916 2.823 0.272 1.00 0.00 O ATOM 366 CB GLU A 29 -7.855 5.352 0.842 1.00 0.00 C ATOM 367 CG GLU A 29 -8.403 4.141 1.599 1.00 0.00 C ATOM 368 CD GLU A 29 -8.353 4.411 3.103 1.00 0.00 C ATOM 369 OE1 GLU A 29 -9.085 5.276 3.554 1.00 0.00 O ATOM 370 OE2 GLU A 29 -7.585 3.747 3.778 1.00 0.00 O ATOM 0 H GLU A 29 -7.889 3.059 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.604 5.732 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.260 5.974 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.676 5.970 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.428 3.939 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.817 3.254 1.359 1.00 0.00 H new ATOM 377 N GLY A 30 -4.738 4.657 0.526 1.00 0.00 N ATOM 378 CA GLY A 30 -3.567 3.884 1.032 1.00 0.00 C ATOM 379 C GLY A 30 -2.292 4.714 0.868 1.00 0.00 C ATOM 380 O GLY A 30 -2.314 5.806 0.337 1.00 0.00 O ATOM 0 H GLY A 30 -4.604 5.667 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.714 3.628 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.475 2.946 0.485 1.00 0.00 H new ATOM 384 N LEU A 31 -1.179 4.203 1.322 1.00 0.00 N ATOM 385 CA LEU A 31 0.099 4.960 1.194 1.00 0.00 C ATOM 386 C LEU A 31 0.619 4.846 -0.238 1.00 0.00 C ATOM 387 O LEU A 31 0.869 5.832 -0.900 1.00 0.00 O ATOM 388 CB LEU A 31 1.139 4.378 2.154 1.00 0.00 C ATOM 389 CG LEU A 31 1.702 5.491 3.036 1.00 0.00 C ATOM 390 CD1 LEU A 31 2.261 6.609 2.154 1.00 0.00 C ATOM 391 CD2 LEU A 31 0.585 6.050 3.919 1.00 0.00 C ATOM 0 H LEU A 31 -1.100 3.293 1.776 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.078 6.007 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.685 3.604 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.943 3.904 1.591 1.00 0.00 H new ATOM 0 HG LEU A 31 2.499 5.091 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.663 7.403 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.055 6.211 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.465 7.011 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.983 6.845 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.210 6.450 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.185 5.254 4.547 1.00 0.00 H new ATOM 403 N CYS A 32 0.790 3.646 -0.719 1.00 0.00 N ATOM 404 CA CYS A 32 1.301 3.464 -2.104 1.00 0.00 C ATOM 405 C CYS A 32 0.142 3.505 -3.097 1.00 0.00 C ATOM 406 O CYS A 32 -0.088 2.563 -3.830 1.00 0.00 O ATOM 407 CB CYS A 32 2.002 2.114 -2.220 1.00 0.00 C ATOM 408 SG CYS A 32 2.676 1.940 -3.889 1.00 0.00 S ATOM 0 H CYS A 32 0.597 2.783 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 32 2.003 4.267 -2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.801 2.040 -1.482 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.300 1.307 -2.012 1.00 0.00 H new ATOM 413 N CYS A 33 -0.588 4.581 -3.139 1.00 0.00 N ATOM 414 CA CYS A 33 -1.719 4.657 -4.101 1.00 0.00 C ATOM 415 C CYS A 33 -1.945 6.107 -4.524 1.00 0.00 C ATOM 416 O CYS A 33 -2.316 6.948 -3.730 1.00 0.00 O ATOM 417 CB CYS A 33 -2.986 4.098 -3.454 1.00 0.00 C ATOM 418 SG CYS A 33 -3.164 2.358 -3.910 1.00 0.00 S ATOM 0 H CYS A 33 -0.453 5.406 -2.554 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.479 4.064 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.931 4.199 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.857 4.664 -3.783 1.00 0.00 H new ATOM 423 N GLU A 34 -1.720 6.402 -5.775 1.00 0.00 N ATOM 424 CA GLU A 34 -1.917 7.793 -6.265 1.00 0.00 C ATOM 425 C GLU A 34 -2.942 7.787 -7.402 1.00 0.00 C ATOM 426 O GLU A 34 -2.922 6.929 -8.261 1.00 0.00 O ATOM 427 CB GLU A 34 -0.584 8.340 -6.780 1.00 0.00 C ATOM 428 CG GLU A 34 0.492 8.154 -5.708 1.00 0.00 C ATOM 429 CD GLU A 34 1.841 7.890 -6.379 1.00 0.00 C ATOM 430 OE1 GLU A 34 1.913 6.971 -7.178 1.00 0.00 O ATOM 431 OE2 GLU A 34 2.779 8.613 -6.083 1.00 0.00 O ATOM 0 H GLU A 34 -1.407 5.736 -6.481 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.279 8.423 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.295 7.822 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.684 9.396 -7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.554 9.044 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.230 7.322 -5.055 1.00 0.00 H new ATOM 438 N GLN A 35 -3.838 8.733 -7.412 1.00 0.00 N ATOM 439 CA GLN A 35 -4.862 8.776 -8.494 1.00 0.00 C ATOM 440 C GLN A 35 -5.766 7.546 -8.387 1.00 0.00 C ATOM 441 O GLN A 35 -6.451 7.183 -9.323 1.00 0.00 O ATOM 442 CB GLN A 35 -4.164 8.780 -9.855 1.00 0.00 C ATOM 443 CG GLN A 35 -4.114 10.209 -10.399 1.00 0.00 C ATOM 444 CD GLN A 35 -4.913 10.291 -11.701 1.00 0.00 C ATOM 445 OE1 GLN A 35 -4.625 9.587 -12.649 1.00 0.00 O ATOM 446 NE2 GLN A 35 -5.912 11.126 -11.788 1.00 0.00 N ATOM 0 H GLN A 35 -3.906 9.478 -6.719 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.463 9.679 -8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.154 8.381 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.698 8.133 -10.551 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.524 10.903 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.080 10.506 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.154 11.717 -10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.451 11.188 -12.652 1.00 0.00 H new ATOM 455 N CYS A 36 -5.778 6.904 -7.251 1.00 0.00 N ATOM 456 CA CYS A 36 -6.641 5.699 -7.078 1.00 0.00 C ATOM 457 C CYS A 36 -6.013 4.502 -7.801 1.00 0.00 C ATOM 458 O CYS A 36 -6.698 3.708 -8.410 1.00 0.00 O ATOM 459 CB CYS A 36 -8.031 5.971 -7.660 1.00 0.00 C ATOM 460 SG CYS A 36 -8.530 7.673 -7.287 1.00 0.00 S ATOM 0 H CYS A 36 -5.226 7.162 -6.433 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.729 5.475 -6.015 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.021 5.813 -8.738 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.754 5.270 -7.242 1.00 0.00 H new ATOM 465 N LYS A 37 -4.716 4.364 -7.737 1.00 0.00 N ATOM 466 CA LYS A 37 -4.055 3.212 -8.421 1.00 0.00 C ATOM 467 C LYS A 37 -2.821 2.787 -7.622 1.00 0.00 C ATOM 468 O LYS A 37 -2.393 3.476 -6.721 1.00 0.00 O ATOM 469 CB LYS A 37 -3.634 3.628 -9.832 1.00 0.00 C ATOM 470 CG LYS A 37 -4.534 2.934 -10.858 1.00 0.00 C ATOM 471 CD LYS A 37 -4.018 3.223 -12.268 1.00 0.00 C ATOM 472 CE LYS A 37 -5.203 3.416 -13.215 1.00 0.00 C ATOM 473 NZ LYS A 37 -4.895 2.779 -14.528 1.00 0.00 N ATOM 0 H LYS A 37 -4.086 4.996 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.753 2.377 -8.484 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.707 4.710 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.592 3.360 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.547 1.859 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.560 3.287 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.394 4.117 -12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.393 2.400 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.102 2.974 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.404 4.478 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.700 2.909 -15.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.047 3.221 -14.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.723 1.763 -14.389 1.00 0.00 H new ATOM 487 N PHE A 38 -2.246 1.658 -7.939 1.00 0.00 N ATOM 488 CA PHE A 38 -1.041 1.200 -7.185 1.00 0.00 C ATOM 489 C PHE A 38 0.193 1.964 -7.671 1.00 0.00 C ATOM 490 O PHE A 38 0.525 1.942 -8.839 1.00 0.00 O ATOM 491 CB PHE A 38 -0.815 -0.296 -7.420 1.00 0.00 C ATOM 492 CG PHE A 38 -1.865 -1.098 -6.691 1.00 0.00 C ATOM 493 CD1 PHE A 38 -2.112 -0.861 -5.335 1.00 0.00 C ATOM 494 CD2 PHE A 38 -2.585 -2.087 -7.371 1.00 0.00 C ATOM 495 CE1 PHE A 38 -3.081 -1.611 -4.659 1.00 0.00 C ATOM 496 CE2 PHE A 38 -3.553 -2.838 -6.695 1.00 0.00 C ATOM 497 CZ PHE A 38 -3.802 -2.600 -5.338 1.00 0.00 C ATOM 0 H PHE A 38 -2.556 1.035 -8.684 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.201 1.386 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.854 -0.515 -8.487 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.178 -0.581 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.555 -0.099 -4.810 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.393 -2.271 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.273 -1.426 -3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.108 -3.601 -7.220 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.549 -3.179 -4.816 1.00 0.00 H new ATOM 507 N SER A 39 0.885 2.626 -6.784 1.00 0.00 N ATOM 508 CA SER A 39 2.104 3.371 -7.203 1.00 0.00 C ATOM 509 C SER A 39 3.161 2.358 -7.656 1.00 0.00 C ATOM 510 O SER A 39 2.843 1.339 -8.235 1.00 0.00 O ATOM 511 CB SER A 39 2.637 4.188 -6.023 1.00 0.00 C ATOM 512 OG SER A 39 1.588 4.395 -5.085 1.00 0.00 O ATOM 0 H SER A 39 0.659 2.683 -5.791 1.00 0.00 H new ATOM 0 HA SER A 39 1.867 4.050 -8.022 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.467 3.665 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.022 5.146 -6.373 1.00 0.00 H new ATOM 0 HG SER A 39 1.171 5.267 -5.248 1.00 0.00 H new ATOM 518 N ARG A 40 4.411 2.619 -7.397 1.00 0.00 N ATOM 519 CA ARG A 40 5.467 1.654 -7.817 1.00 0.00 C ATOM 520 C ARG A 40 6.163 1.088 -6.575 1.00 0.00 C ATOM 521 O ARG A 40 6.213 1.719 -5.540 1.00 0.00 O ATOM 522 CB ARG A 40 6.488 2.369 -8.703 1.00 0.00 C ATOM 523 CG ARG A 40 5.766 3.027 -9.881 1.00 0.00 C ATOM 524 CD ARG A 40 6.692 4.048 -10.544 1.00 0.00 C ATOM 525 NE ARG A 40 5.925 4.834 -11.552 1.00 0.00 N ATOM 526 CZ ARG A 40 5.947 4.483 -12.809 1.00 0.00 C ATOM 527 NH1 ARG A 40 6.982 4.772 -13.550 1.00 0.00 N ATOM 528 NH2 ARG A 40 4.935 3.842 -13.327 1.00 0.00 N ATOM 0 H ARG A 40 4.747 3.453 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 40 5.014 0.837 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.024 3.121 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.230 1.659 -9.068 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.465 2.270 -10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.856 3.517 -9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.114 4.715 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.528 3.539 -11.024 1.00 0.00 H new ATOM 0 HE ARG A 40 5.383 5.647 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.774 5.272 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.999 4.497 -14.532 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.126 3.615 -12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.953 3.568 -14.309 1.00 0.00 H new ATOM 542 N ALA A 41 6.695 -0.101 -6.670 1.00 0.00 N ATOM 543 CA ALA A 41 7.380 -0.712 -5.494 1.00 0.00 C ATOM 544 C ALA A 41 8.686 0.023 -5.217 1.00 0.00 C ATOM 545 O ALA A 41 9.167 0.787 -6.031 1.00 0.00 O ATOM 546 CB ALA A 41 7.690 -2.181 -5.782 1.00 0.00 C ATOM 0 H ALA A 41 6.685 -0.676 -7.512 1.00 0.00 H new ATOM 0 HA ALA A 41 6.725 -0.637 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.190 -2.623 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.761 -2.717 -5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.340 -2.251 -6.654 1.00 0.00 H new ATOM 552 N GLY A 42 9.262 -0.194 -4.068 1.00 0.00 N ATOM 553 CA GLY A 42 10.529 0.502 -3.738 1.00 0.00 C ATOM 554 C GLY A 42 10.218 1.978 -3.541 1.00 0.00 C ATOM 555 O GLY A 42 11.067 2.831 -3.706 1.00 0.00 O ATOM 0 H GLY A 42 8.909 -0.823 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.970 0.082 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.256 0.370 -4.539 1.00 0.00 H new ATOM 559 N LYS A 43 8.998 2.287 -3.198 1.00 0.00 N ATOM 560 CA LYS A 43 8.639 3.727 -3.004 1.00 0.00 C ATOM 561 C LYS A 43 8.499 4.019 -1.506 1.00 0.00 C ATOM 562 O LYS A 43 7.847 3.302 -0.783 1.00 0.00 O ATOM 563 CB LYS A 43 7.333 4.037 -3.768 1.00 0.00 C ATOM 564 CG LYS A 43 6.419 4.965 -2.958 1.00 0.00 C ATOM 565 CD LYS A 43 5.190 5.325 -3.794 1.00 0.00 C ATOM 566 CE LYS A 43 4.676 6.706 -3.382 1.00 0.00 C ATOM 567 NZ LYS A 43 5.450 7.760 -4.098 1.00 0.00 N ATOM 0 H LYS A 43 8.242 1.619 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 43 9.424 4.370 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.571 4.502 -4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.808 3.107 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.113 4.475 -2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.958 5.869 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.445 5.322 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.409 4.578 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.616 6.796 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.775 6.836 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.100 8.698 -3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.457 7.678 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.333 7.640 -5.124 1.00 0.00 H new ATOM 581 N ILE A 44 9.109 5.070 -1.034 1.00 0.00 N ATOM 582 CA ILE A 44 9.011 5.387 0.417 1.00 0.00 C ATOM 583 C ILE A 44 7.543 5.554 0.797 1.00 0.00 C ATOM 584 O ILE A 44 6.815 6.336 0.220 1.00 0.00 O ATOM 585 CB ILE A 44 9.811 6.669 0.715 1.00 0.00 C ATOM 586 CG1 ILE A 44 11.219 6.276 1.155 1.00 0.00 C ATOM 587 CG2 ILE A 44 9.151 7.480 1.840 1.00 0.00 C ATOM 588 CD1 ILE A 44 11.124 5.368 2.382 1.00 0.00 C ATOM 0 H ILE A 44 9.668 5.720 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 44 9.431 4.575 1.010 1.00 0.00 H new ATOM 0 HB ILE A 44 9.840 7.281 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.736 5.761 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.802 7.167 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.736 8.380 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.141 7.760 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.108 6.876 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.126 5.083 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.622 5.900 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.556 4.473 2.129 1.00 0.00 H new ATOM 600 N CYS A 45 7.118 4.809 1.773 1.00 0.00 N ATOM 601 CA CYS A 45 5.706 4.889 2.227 1.00 0.00 C ATOM 602 C CYS A 45 5.681 5.392 3.665 1.00 0.00 C ATOM 603 O CYS A 45 4.694 5.929 4.130 1.00 0.00 O ATOM 604 CB CYS A 45 5.062 3.504 2.155 1.00 0.00 C ATOM 605 SG CYS A 45 6.276 2.233 2.590 1.00 0.00 S ATOM 0 H CYS A 45 7.695 4.140 2.282 1.00 0.00 H new ATOM 0 HA CYS A 45 5.149 5.572 1.586 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.211 3.454 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.679 3.324 1.151 1.00 0.00 H new ATOM 610 N ARG A 46 6.763 5.231 4.375 1.00 0.00 N ATOM 611 CA ARG A 46 6.795 5.712 5.780 1.00 0.00 C ATOM 612 C ARG A 46 8.241 5.861 6.253 1.00 0.00 C ATOM 613 O ARG A 46 9.125 5.148 5.821 1.00 0.00 O ATOM 614 CB ARG A 46 6.060 4.714 6.679 1.00 0.00 C ATOM 615 CG ARG A 46 5.224 5.476 7.710 1.00 0.00 C ATOM 616 CD ARG A 46 4.007 4.636 8.102 1.00 0.00 C ATOM 617 NE ARG A 46 2.792 5.497 8.112 1.00 0.00 N ATOM 618 CZ ARG A 46 2.337 5.970 9.239 1.00 0.00 C ATOM 619 NH1 ARG A 46 1.524 5.253 9.966 1.00 0.00 N ATOM 620 NH2 ARG A 46 2.695 7.158 9.641 1.00 0.00 N ATOM 0 H ARG A 46 7.621 4.790 4.044 1.00 0.00 H new ATOM 0 HA ARG A 46 6.303 6.683 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.417 4.071 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.777 4.066 7.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.826 5.696 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.902 6.432 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.877 3.814 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.160 4.192 9.086 1.00 0.00 H new ATOM 0 HE ARG A 46 2.316 5.717 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.245 4.323 9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.168 5.622 10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.331 7.718 9.074 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.339 7.527 10.523 1.00 0.00 H new ATOM 634 N ILE A 47 8.486 6.783 7.144 1.00 0.00 N ATOM 635 CA ILE A 47 9.872 6.982 7.654 1.00 0.00 C ATOM 636 C ILE A 47 10.089 6.096 8.882 1.00 0.00 C ATOM 637 O ILE A 47 9.242 5.997 9.747 1.00 0.00 O ATOM 638 CB ILE A 47 10.069 8.449 8.039 1.00 0.00 C ATOM 639 CG1 ILE A 47 11.560 8.722 8.247 1.00 0.00 C ATOM 640 CG2 ILE A 47 9.310 8.748 9.335 1.00 0.00 C ATOM 641 CD1 ILE A 47 12.260 8.784 6.890 1.00 0.00 C ATOM 0 H ILE A 47 7.785 7.408 7.541 1.00 0.00 H new ATOM 0 HA ILE A 47 10.590 6.714 6.879 1.00 0.00 H new ATOM 0 HB ILE A 47 9.687 9.088 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.698 9.661 8.782 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.002 7.937 8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.452 9.794 9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.248 8.552 9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.689 8.111 10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.322 8.978 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 47 12.133 7.834 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.824 9.584 6.292 1.00 0.00 H new ATOM 653 N ALA A 48 11.217 5.447 8.963 1.00 0.00 N ATOM 654 CA ALA A 48 11.486 4.565 10.134 1.00 0.00 C ATOM 655 C ALA A 48 11.784 5.420 11.367 1.00 0.00 C ATOM 656 O ALA A 48 12.590 6.330 11.324 1.00 0.00 O ATOM 657 CB ALA A 48 12.688 3.670 9.830 1.00 0.00 C ATOM 0 H ALA A 48 11.964 5.489 8.270 1.00 0.00 H new ATOM 0 HA ALA A 48 10.610 3.946 10.329 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.886 3.024 10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.473 3.057 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.563 4.290 9.633 1.00 0.00 H new ATOM 663 N ARG A 49 11.144 5.134 12.468 1.00 0.00 N ATOM 664 CA ARG A 49 11.393 5.927 13.704 1.00 0.00 C ATOM 665 C ARG A 49 12.778 5.583 14.252 1.00 0.00 C ATOM 666 O ARG A 49 12.935 4.671 15.040 1.00 0.00 O ATOM 667 CB ARG A 49 10.332 5.589 14.755 1.00 0.00 C ATOM 668 CG ARG A 49 8.947 5.571 14.103 1.00 0.00 C ATOM 669 CD ARG A 49 8.175 4.340 14.581 1.00 0.00 C ATOM 670 NE ARG A 49 6.973 4.144 13.723 1.00 0.00 N ATOM 671 CZ ARG A 49 6.150 3.159 13.965 1.00 0.00 C ATOM 672 NH1 ARG A 49 5.284 3.256 14.937 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.195 2.078 13.236 1.00 0.00 N ATOM 0 H ARG A 49 10.459 4.385 12.564 1.00 0.00 H new ATOM 0 HA ARG A 49 11.343 6.990 13.470 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.546 4.619 15.203 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.356 6.324 15.560 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.401 6.479 14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.044 5.554 13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.814 3.458 14.538 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.876 4.466 15.621 1.00 0.00 H new ATOM 0 HE ARG A 49 6.793 4.780 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.250 4.101 15.507 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.641 2.487 15.126 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.873 2.002 12.477 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.553 1.309 13.425 1.00 0.00 H new ATOM 687 N GLY A 50 13.786 6.302 13.841 1.00 0.00 N ATOM 688 CA GLY A 50 15.160 6.013 14.339 1.00 0.00 C ATOM 689 C GLY A 50 16.155 6.112 13.181 1.00 0.00 C ATOM 690 O GLY A 50 16.403 7.177 12.652 1.00 0.00 O ATOM 0 H GLY A 50 13.717 7.077 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.429 6.719 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.196 5.017 14.779 1.00 0.00 H new ATOM 694 N ASP A 51 16.727 5.009 12.782 1.00 0.00 N ATOM 695 CA ASP A 51 17.707 5.040 11.660 1.00 0.00 C ATOM 696 C ASP A 51 17.890 3.627 11.103 1.00 0.00 C ATOM 697 O ASP A 51 18.996 3.158 10.928 1.00 0.00 O ATOM 698 CB ASP A 51 19.052 5.560 12.170 1.00 0.00 C ATOM 699 CG ASP A 51 19.355 6.916 11.532 1.00 0.00 C ATOM 700 OD1 ASP A 51 18.975 7.109 10.389 1.00 0.00 O ATOM 701 OD2 ASP A 51 19.964 7.738 12.196 1.00 0.00 O ATOM 0 H ASP A 51 16.558 4.087 13.185 1.00 0.00 H new ATOM 0 HA ASP A 51 17.336 5.698 10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.028 5.655 13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.843 4.849 11.930 1.00 0.00 H new ATOM 706 N TRP A 52 16.814 2.945 10.824 1.00 0.00 N ATOM 707 CA TRP A 52 16.930 1.561 10.279 1.00 0.00 C ATOM 708 C TRP A 52 16.412 1.537 8.840 1.00 0.00 C ATOM 709 O TRP A 52 16.220 2.566 8.222 1.00 0.00 O ATOM 710 CB TRP A 52 16.112 0.573 11.130 1.00 0.00 C ATOM 711 CG TRP A 52 15.377 1.296 12.217 1.00 0.00 C ATOM 712 CD1 TRP A 52 14.145 1.839 12.092 1.00 0.00 C ATOM 713 CD2 TRP A 52 15.804 1.561 13.586 1.00 0.00 C ATOM 714 NE1 TRP A 52 13.786 2.417 13.296 1.00 0.00 N ATOM 715 CE2 TRP A 52 14.776 2.273 14.248 1.00 0.00 C ATOM 716 CE3 TRP A 52 16.971 1.256 14.308 1.00 0.00 C ATOM 717 CZ2 TRP A 52 14.901 2.666 15.581 1.00 0.00 C ATOM 718 CZ3 TRP A 52 17.101 1.652 15.650 1.00 0.00 C ATOM 719 CH2 TRP A 52 16.067 2.356 16.284 1.00 0.00 C ATOM 0 H TRP A 52 15.860 3.284 10.949 1.00 0.00 H new ATOM 0 HA TRP A 52 17.978 1.262 10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 52 15.403 0.040 10.497 1.00 0.00 H new ATOM 0 HB3 TRP A 52 16.774 -0.174 11.566 1.00 0.00 H new ATOM 0 HD1 TRP A 52 13.540 1.824 11.198 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.898 2.892 13.461 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.773 0.714 13.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 14.101 3.206 16.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 18.002 1.413 16.196 1.00 0.00 H new ATOM 0 HH2 TRP A 52 16.172 2.658 17.315 1.00 0.00 H new ATOM 730 N ASN A 53 16.185 0.370 8.300 1.00 0.00 N ATOM 731 CA ASN A 53 15.681 0.281 6.900 1.00 0.00 C ATOM 732 C ASN A 53 14.417 1.131 6.754 1.00 0.00 C ATOM 733 O ASN A 53 13.691 1.349 7.705 1.00 0.00 O ATOM 734 CB ASN A 53 15.357 -1.177 6.566 1.00 0.00 C ATOM 735 CG ASN A 53 16.544 -2.064 6.947 1.00 0.00 C ATOM 736 OD1 ASN A 53 17.382 -1.674 7.734 1.00 0.00 O ATOM 737 ND2 ASN A 53 16.649 -3.253 6.418 1.00 0.00 N ATOM 0 H ASN A 53 16.327 -0.525 8.768 1.00 0.00 H new ATOM 0 HA ASN A 53 16.446 0.650 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 53 14.464 -1.495 7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.140 -1.278 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.435 -3.854 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.945 -3.581 5.757 1.00 0.00 H new ATOM 744 N ASP A 54 14.147 1.613 5.572 1.00 0.00 N ATOM 745 CA ASP A 54 12.930 2.448 5.365 1.00 0.00 C ATOM 746 C ASP A 54 11.867 1.627 4.634 1.00 0.00 C ATOM 747 O ASP A 54 12.174 0.815 3.784 1.00 0.00 O ATOM 748 CB ASP A 54 13.291 3.677 4.527 1.00 0.00 C ATOM 749 CG ASP A 54 14.352 4.500 5.260 1.00 0.00 C ATOM 750 OD1 ASP A 54 13.983 5.251 6.147 1.00 0.00 O ATOM 751 OD2 ASP A 54 15.516 4.364 4.922 1.00 0.00 O ATOM 0 H ASP A 54 14.717 1.464 4.740 1.00 0.00 H new ATOM 0 HA ASP A 54 12.541 2.769 6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.665 3.368 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.403 4.284 4.350 1.00 0.00 H new ATOM 756 N ASP A 55 10.618 1.831 4.956 1.00 0.00 N ATOM 757 CA ASP A 55 9.539 1.060 4.275 1.00 0.00 C ATOM 758 C ASP A 55 9.448 1.501 2.812 1.00 0.00 C ATOM 759 O ASP A 55 9.688 2.646 2.482 1.00 0.00 O ATOM 760 CB ASP A 55 8.204 1.323 4.975 1.00 0.00 C ATOM 761 CG ASP A 55 8.433 1.439 6.483 1.00 0.00 C ATOM 762 OD1 ASP A 55 9.041 2.412 6.897 1.00 0.00 O ATOM 763 OD2 ASP A 55 7.999 0.550 7.199 1.00 0.00 O ATOM 0 H ASP A 55 10.299 2.497 5.660 1.00 0.00 H new ATOM 0 HA ASP A 55 9.766 -0.005 4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.755 2.240 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.505 0.514 4.764 1.00 0.00 H new ATOM 768 N ARG A 56 9.108 0.601 1.930 1.00 0.00 N ATOM 769 CA ARG A 56 9.009 0.971 0.491 1.00 0.00 C ATOM 770 C ARG A 56 7.755 0.348 -0.121 1.00 0.00 C ATOM 771 O ARG A 56 7.394 -0.770 0.183 1.00 0.00 O ATOM 772 CB ARG A 56 10.240 0.453 -0.250 1.00 0.00 C ATOM 773 CG ARG A 56 11.494 1.146 0.286 1.00 0.00 C ATOM 774 CD ARG A 56 12.446 1.443 -0.874 1.00 0.00 C ATOM 775 NE ARG A 56 13.647 2.163 -0.363 1.00 0.00 N ATOM 776 CZ ARG A 56 14.781 2.070 -1.002 1.00 0.00 C ATOM 777 NH1 ARG A 56 14.798 2.068 -2.307 1.00 0.00 N ATOM 778 NH2 ARG A 56 15.899 1.981 -0.334 1.00 0.00 N ATOM 0 H ARG A 56 8.895 -0.373 2.144 1.00 0.00 H new ATOM 0 HA ARG A 56 8.952 2.056 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.326 -0.626 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.138 0.640 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.222 2.071 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.987 0.511 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.745 0.514 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.940 2.047 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 56 13.583 2.727 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.924 2.139 -2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.685 1.995 -2.805 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.885 1.984 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.786 1.908 -0.832 1.00 0.00 H new ATOM 792 N CYS A 57 7.093 1.060 -0.993 1.00 0.00 N ATOM 793 CA CYS A 57 5.876 0.498 -1.629 1.00 0.00 C ATOM 794 C CYS A 57 6.214 -0.883 -2.155 1.00 0.00 C ATOM 795 O CYS A 57 7.293 -1.094 -2.681 1.00 0.00 O ATOM 796 CB CYS A 57 5.442 1.367 -2.804 1.00 0.00 C ATOM 797 SG CYS A 57 4.109 0.533 -3.701 1.00 0.00 S ATOM 0 H CYS A 57 7.344 2.003 -1.289 1.00 0.00 H new ATOM 0 HA CYS A 57 5.070 0.458 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.103 2.340 -2.447 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.286 1.548 -3.469 1.00 0.00 H new ATOM 802 N THR A 58 5.298 -1.809 -2.016 1.00 0.00 N ATOM 803 CA THR A 58 5.530 -3.199 -2.498 1.00 0.00 C ATOM 804 C THR A 58 5.449 -3.245 -4.027 1.00 0.00 C ATOM 805 O THR A 58 6.192 -3.954 -4.676 1.00 0.00 O ATOM 806 CB THR A 58 4.454 -4.115 -1.912 1.00 0.00 C ATOM 807 OG1 THR A 58 3.179 -3.709 -2.387 1.00 0.00 O ATOM 808 CG2 THR A 58 4.481 -4.029 -0.388 1.00 0.00 C ATOM 0 H THR A 58 4.388 -1.655 -1.582 1.00 0.00 H new ATOM 0 HA THR A 58 6.519 -3.529 -2.182 1.00 0.00 H new ATOM 0 HB THR A 58 4.647 -5.143 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.971 -2.816 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.714 -4.682 0.027 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.460 -4.341 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.289 -3.002 -0.078 1.00 0.00 H new ATOM 816 N GLY A 59 4.546 -2.503 -4.607 1.00 0.00 N ATOM 817 CA GLY A 59 4.414 -2.514 -6.092 1.00 0.00 C ATOM 818 C GLY A 59 3.007 -2.973 -6.467 1.00 0.00 C ATOM 819 O GLY A 59 2.363 -2.407 -7.328 1.00 0.00 O ATOM 0 H GLY A 59 3.894 -1.890 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.604 -1.519 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.156 -3.181 -6.530 1.00 0.00 H new ATOM 823 N GLN A 60 2.524 -3.999 -5.823 1.00 0.00 N ATOM 824 CA GLN A 60 1.159 -4.500 -6.133 1.00 0.00 C ATOM 825 C GLN A 60 0.262 -4.316 -4.908 1.00 0.00 C ATOM 826 O GLN A 60 -0.891 -4.701 -4.910 1.00 0.00 O ATOM 827 CB GLN A 60 1.235 -5.983 -6.500 1.00 0.00 C ATOM 828 CG GLN A 60 2.528 -6.249 -7.273 1.00 0.00 C ATOM 829 CD GLN A 60 2.691 -7.754 -7.497 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.167 -8.460 -6.631 1.00 0.00 O ATOM 831 NE2 GLN A 60 2.316 -8.278 -8.632 1.00 0.00 N ATOM 0 H GLN A 60 3.019 -4.512 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 60 0.743 -3.942 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.205 -6.594 -5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.373 -6.264 -7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.505 -5.729 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.382 -5.859 -6.719 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.916 -7.686 -9.360 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.423 -9.280 -8.791 1.00 0.00 H new ATOM 840 N SER A 61 0.777 -3.727 -3.861 1.00 0.00 N ATOM 841 CA SER A 61 -0.053 -3.518 -2.641 1.00 0.00 C ATOM 842 C SER A 61 -0.082 -2.028 -2.292 1.00 0.00 C ATOM 843 O SER A 61 0.904 -1.331 -2.433 1.00 0.00 O ATOM 844 CB SER A 61 0.548 -4.304 -1.475 1.00 0.00 C ATOM 845 OG SER A 61 -0.409 -4.400 -0.430 1.00 0.00 O ATOM 0 H SER A 61 1.735 -3.383 -3.799 1.00 0.00 H new ATOM 0 HA SER A 61 -1.069 -3.866 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.843 -5.300 -1.806 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.449 -3.809 -1.114 1.00 0.00 H new ATOM 0 HG SER A 61 -0.726 -3.503 -0.194 1.00 0.00 H new ATOM 851 N ALA A 62 -1.200 -1.534 -1.835 1.00 0.00 N ATOM 852 CA ALA A 62 -1.284 -0.090 -1.476 1.00 0.00 C ATOM 853 C ALA A 62 -0.911 0.088 -0.005 1.00 0.00 C ATOM 854 O ALA A 62 -0.406 1.117 0.397 1.00 0.00 O ATOM 855 CB ALA A 62 -2.707 0.418 -1.701 1.00 0.00 C ATOM 0 H ALA A 62 -2.058 -2.067 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.596 0.477 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.762 1.474 -1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.977 0.292 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.398 -0.149 -1.077 1.00 0.00 H new ATOM 861 N ASP A 63 -1.148 -0.909 0.802 1.00 0.00 N ATOM 862 CA ASP A 63 -0.800 -0.792 2.242 1.00 0.00 C ATOM 863 C ASP A 63 0.695 -1.026 2.406 1.00 0.00 C ATOM 864 O ASP A 63 1.187 -2.123 2.231 1.00 0.00 O ATOM 865 CB ASP A 63 -1.568 -1.836 3.050 1.00 0.00 C ATOM 866 CG ASP A 63 -1.553 -3.174 2.307 1.00 0.00 C ATOM 867 OD1 ASP A 63 -2.314 -3.312 1.364 1.00 0.00 O ATOM 868 OD2 ASP A 63 -0.782 -4.036 2.695 1.00 0.00 O ATOM 0 H ASP A 63 -1.567 -1.797 0.525 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.066 0.202 2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.117 -1.951 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.595 -1.506 3.206 1.00 0.00 H new ATOM 873 N CYS A 64 1.426 -0.001 2.726 1.00 0.00 N ATOM 874 CA CYS A 64 2.890 -0.164 2.886 1.00 0.00 C ATOM 875 C CYS A 64 3.182 -1.180 3.984 1.00 0.00 C ATOM 876 O CYS A 64 2.571 -1.158 5.034 1.00 0.00 O ATOM 877 CB CYS A 64 3.523 1.187 3.224 1.00 0.00 C ATOM 878 SG CYS A 64 5.240 0.942 3.741 1.00 0.00 S ATOM 0 H CYS A 64 1.072 0.943 2.884 1.00 0.00 H new ATOM 0 HA CYS A 64 3.319 -0.530 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.485 1.845 2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.959 1.675 4.019 1.00 0.00 H new ATOM 883 N PRO A 65 4.113 -2.052 3.693 1.00 0.00 N ATOM 884 CA PRO A 65 4.521 -3.111 4.620 1.00 0.00 C ATOM 885 C PRO A 65 5.423 -2.552 5.726 1.00 0.00 C ATOM 886 O PRO A 65 6.077 -1.541 5.557 1.00 0.00 O ATOM 887 CB PRO A 65 5.293 -4.080 3.725 1.00 0.00 C ATOM 888 CG PRO A 65 5.763 -3.280 2.497 1.00 0.00 C ATOM 889 CD PRO A 65 4.846 -2.058 2.404 1.00 0.00 C ATOM 0 HA PRO A 65 3.680 -3.579 5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.144 -4.503 4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.660 -4.914 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.804 -2.977 2.605 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.699 -3.884 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.418 -1.140 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.163 -2.136 1.558 1.00 0.00 H new ATOM 897 N ARG A 66 5.463 -3.207 6.854 1.00 0.00 N ATOM 898 CA ARG A 66 6.321 -2.723 7.972 1.00 0.00 C ATOM 899 C ARG A 66 7.778 -3.100 7.694 1.00 0.00 C ATOM 900 O ARG A 66 8.130 -4.262 7.648 1.00 0.00 O ATOM 901 CB ARG A 66 5.868 -3.378 9.280 1.00 0.00 C ATOM 902 CG ARG A 66 6.407 -2.582 10.469 1.00 0.00 C ATOM 903 CD ARG A 66 5.347 -1.585 10.938 1.00 0.00 C ATOM 904 NE ARG A 66 4.090 -2.313 11.268 1.00 0.00 N ATOM 905 CZ ARG A 66 3.027 -1.649 11.633 1.00 0.00 C ATOM 906 NH1 ARG A 66 2.937 -0.373 11.379 1.00 0.00 N ATOM 907 NH2 ARG A 66 2.056 -2.262 12.254 1.00 0.00 N ATOM 0 H ARG A 66 4.937 -4.059 7.050 1.00 0.00 H new ATOM 0 HA ARG A 66 6.234 -1.640 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.779 -3.418 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.226 -4.406 9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.671 -3.257 11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.317 -2.054 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.705 -1.042 11.813 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.158 -0.846 10.159 1.00 0.00 H new ATOM 0 HE ARG A 66 4.060 -3.331 11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.697 0.106 10.895 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.107 0.146 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.128 -3.260 12.454 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.225 -1.743 12.539 1.00 0.00 H new ATOM 921 N ASN A 67 8.628 -2.128 7.504 1.00 0.00 N ATOM 922 CA ASN A 67 10.060 -2.435 7.225 1.00 0.00 C ATOM 923 C ASN A 67 10.943 -1.759 8.277 1.00 0.00 C ATOM 924 O ASN A 67 12.151 -1.721 8.156 1.00 0.00 O ATOM 925 CB ASN A 67 10.431 -1.911 5.835 1.00 0.00 C ATOM 926 CG ASN A 67 11.024 -3.047 4.999 1.00 0.00 C ATOM 927 OD1 ASN A 67 11.720 -3.898 5.516 1.00 0.00 O ATOM 928 ND2 ASN A 67 10.778 -3.096 3.718 1.00 0.00 N ATOM 0 H ASN A 67 8.393 -1.136 7.530 1.00 0.00 H new ATOM 0 HA ASN A 67 10.214 -3.513 7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.548 -1.505 5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.150 -1.097 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.170 -3.848 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.194 -2.382 3.283 1.00 0.00 H new ATOM 935 N GLY A 68 10.351 -1.227 9.312 1.00 0.00 N ATOM 936 CA GLY A 68 11.158 -0.556 10.369 1.00 0.00 C ATOM 937 C GLY A 68 11.865 -1.616 11.217 1.00 0.00 C ATOM 938 O GLY A 68 12.073 -2.733 10.784 1.00 0.00 O ATOM 0 H GLY A 68 9.343 -1.228 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.891 0.110 9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.515 0.059 10.998 1.00 0.00 H new