USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 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= -1.44 K(o=-1.4,f=-8.1!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 20 LYS NZ :NH3+ 152:sc= -0.11 (180deg=-0.565) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 35 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.8!) USER MOD Single : A 37 LYS NZ :NH3+ -121:sc= 0.586 (180deg=-0.239) USER MOD Single : A 39 SER OG : rot 130:sc= -1.2 USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= 0.382 (180deg=0.095) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 60 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.5!) USER MOD Single : A 61 SER OG : rot -108:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 32 N GLU A 3 -11.909 -6.204 6.556 1.00 0.00 N ATOM 33 CA GLU A 3 -13.348 -5.821 6.605 1.00 0.00 C ATOM 34 C GLU A 3 -13.485 -4.315 6.368 1.00 0.00 C ATOM 35 O GLU A 3 -14.576 -3.791 6.261 1.00 0.00 O ATOM 36 CB GLU A 3 -13.926 -6.173 7.978 1.00 0.00 C ATOM 37 CG GLU A 3 -13.844 -7.686 8.198 1.00 0.00 C ATOM 38 CD GLU A 3 -13.010 -7.977 9.447 1.00 0.00 C ATOM 39 OE1 GLU A 3 -12.832 -7.070 10.242 1.00 0.00 O ATOM 40 OE2 GLU A 3 -12.562 -9.104 9.586 1.00 0.00 O ATOM 0 HA GLU A 3 -13.892 -6.363 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.375 -5.651 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.962 -5.842 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.845 -8.102 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.396 -8.167 7.329 1.00 0.00 H new ATOM 47 N CYS A 4 -12.388 -3.613 6.287 1.00 0.00 N ATOM 48 CA CYS A 4 -12.463 -2.142 6.060 1.00 0.00 C ATOM 49 C CYS A 4 -11.435 -1.746 4.998 1.00 0.00 C ATOM 50 O CYS A 4 -10.312 -2.209 5.001 1.00 0.00 O ATOM 51 CB CYS A 4 -12.168 -1.416 7.379 1.00 0.00 C ATOM 52 SG CYS A 4 -12.695 0.307 7.313 1.00 0.00 S ATOM 0 H CYS A 4 -11.445 -3.993 6.368 1.00 0.00 H new ATOM 0 HA CYS A 4 -13.459 -1.864 5.714 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -12.679 -1.923 8.197 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -11.100 -1.464 7.591 1.00 0.00 H new ATOM 57 N ASP A 5 -11.818 -0.897 4.088 1.00 0.00 N ATOM 58 CA ASP A 5 -10.879 -0.469 3.018 1.00 0.00 C ATOM 59 C ASP A 5 -10.400 0.953 3.308 1.00 0.00 C ATOM 60 O ASP A 5 -9.378 1.388 2.815 1.00 0.00 O ATOM 61 CB ASP A 5 -11.603 -0.511 1.668 1.00 0.00 C ATOM 62 CG ASP A 5 -10.598 -0.824 0.558 1.00 0.00 C ATOM 63 OD1 ASP A 5 -9.486 -0.327 0.635 1.00 0.00 O ATOM 64 OD2 ASP A 5 -10.956 -1.556 -0.349 1.00 0.00 O ATOM 0 H ASP A 5 -12.747 -0.479 4.040 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.019 -1.138 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.387 -1.268 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.089 0.445 1.474 1.00 0.00 H new ATOM 69 N CYS A 6 -11.126 1.681 4.114 1.00 0.00 N ATOM 70 CA CYS A 6 -10.704 3.073 4.443 1.00 0.00 C ATOM 71 C CYS A 6 -10.568 3.214 5.961 1.00 0.00 C ATOM 72 O CYS A 6 -11.527 3.083 6.697 1.00 0.00 O ATOM 73 CB CYS A 6 -11.744 4.067 3.920 1.00 0.00 C ATOM 74 SG CYS A 6 -13.323 3.802 4.763 1.00 0.00 S ATOM 0 H CYS A 6 -11.991 1.373 4.558 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.744 3.284 3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -11.400 5.088 4.085 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -11.870 3.943 2.844 1.00 0.00 H new ATOM 79 N SER A 7 -9.381 3.473 6.436 1.00 0.00 N ATOM 80 CA SER A 7 -9.179 3.613 7.905 1.00 0.00 C ATOM 81 C SER A 7 -10.035 4.763 8.441 1.00 0.00 C ATOM 82 O SER A 7 -10.257 4.881 9.630 1.00 0.00 O ATOM 83 CB SER A 7 -7.704 3.900 8.191 1.00 0.00 C ATOM 84 OG SER A 7 -6.979 2.677 8.187 1.00 0.00 O ATOM 0 H SER A 7 -8.542 3.594 5.869 1.00 0.00 H new ATOM 0 HA SER A 7 -9.474 2.687 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.301 4.578 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 7 -7.598 4.396 9.156 1.00 0.00 H new ATOM 0 HG SER A 7 -6.033 2.857 8.368 1.00 0.00 H new ATOM 90 N SER A 8 -10.519 5.614 7.577 1.00 0.00 N ATOM 91 CA SER A 8 -11.359 6.752 8.048 1.00 0.00 C ATOM 92 C SER A 8 -12.840 6.433 7.795 1.00 0.00 C ATOM 93 O SER A 8 -13.218 6.123 6.683 1.00 0.00 O ATOM 94 CB SER A 8 -10.974 8.016 7.279 1.00 0.00 C ATOM 95 OG SER A 8 -9.641 8.382 7.610 1.00 0.00 O ATOM 0 H SER A 8 -10.370 5.571 6.569 1.00 0.00 H new ATOM 0 HA SER A 8 -11.198 6.908 9.115 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.060 7.843 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.658 8.828 7.526 1.00 0.00 H new ATOM 0 HG SER A 8 -9.392 9.191 7.117 1.00 0.00 H new ATOM 101 N PRO A 9 -13.636 6.519 8.834 1.00 0.00 N ATOM 102 CA PRO A 9 -15.081 6.242 8.749 1.00 0.00 C ATOM 103 C PRO A 9 -15.824 7.440 8.147 1.00 0.00 C ATOM 104 O PRO A 9 -17.023 7.406 7.959 1.00 0.00 O ATOM 105 CB PRO A 9 -15.494 6.028 10.208 1.00 0.00 C ATOM 106 CG PRO A 9 -14.426 6.741 11.071 1.00 0.00 C ATOM 107 CD PRO A 9 -13.175 6.897 10.186 1.00 0.00 C ATOM 0 HA PRO A 9 -15.314 5.388 8.113 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.485 6.441 10.396 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.541 4.966 10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.786 7.713 11.407 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.198 6.159 11.964 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.798 7.920 10.206 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.365 6.252 10.525 1.00 0.00 H new ATOM 115 N GLU A 10 -15.121 8.498 7.846 1.00 0.00 N ATOM 116 CA GLU A 10 -15.792 9.694 7.262 1.00 0.00 C ATOM 117 C GLU A 10 -15.201 9.994 5.882 1.00 0.00 C ATOM 118 O GLU A 10 -15.133 11.131 5.460 1.00 0.00 O ATOM 119 CB GLU A 10 -15.581 10.899 8.180 1.00 0.00 C ATOM 120 CG GLU A 10 -14.087 11.217 8.275 1.00 0.00 C ATOM 121 CD GLU A 10 -13.566 10.819 9.657 1.00 0.00 C ATOM 122 OE1 GLU A 10 -14.312 10.957 10.613 1.00 0.00 O ATOM 123 OE2 GLU A 10 -12.428 10.385 9.738 1.00 0.00 O ATOM 0 H GLU A 10 -14.114 8.586 7.979 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.859 9.495 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.123 11.762 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.982 10.688 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.540 10.680 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.919 12.280 8.104 1.00 0.00 H new ATOM 130 N ASN A 11 -14.775 8.984 5.173 1.00 0.00 N ATOM 131 CA ASN A 11 -14.192 9.217 3.821 1.00 0.00 C ATOM 132 C ASN A 11 -15.289 9.049 2.761 1.00 0.00 C ATOM 133 O ASN A 11 -16.055 8.107 2.812 1.00 0.00 O ATOM 134 CB ASN A 11 -13.074 8.203 3.566 1.00 0.00 C ATOM 135 CG ASN A 11 -12.107 8.761 2.519 1.00 0.00 C ATOM 136 OD1 ASN A 11 -12.438 8.846 1.353 1.00 0.00 O ATOM 137 ND2 ASN A 11 -10.917 9.148 2.890 1.00 0.00 N ATOM 0 H ASN A 11 -14.805 8.009 5.471 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.784 10.226 3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.541 7.993 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.496 7.260 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.264 9.522 2.201 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.640 9.076 3.869 1.00 0.00 H new ATOM 144 N PRO A 12 -15.337 9.971 1.830 1.00 0.00 N ATOM 145 CA PRO A 12 -16.336 9.951 0.746 1.00 0.00 C ATOM 146 C PRO A 12 -15.939 8.951 -0.346 1.00 0.00 C ATOM 147 O PRO A 12 -16.580 8.859 -1.374 1.00 0.00 O ATOM 148 CB PRO A 12 -16.304 11.383 0.205 1.00 0.00 C ATOM 149 CG PRO A 12 -14.927 11.969 0.600 1.00 0.00 C ATOM 150 CD PRO A 12 -14.407 11.117 1.772 1.00 0.00 C ATOM 0 HA PRO A 12 -17.325 9.645 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.434 11.392 -0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.114 11.976 0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.235 11.934 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.020 13.015 0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.382 10.789 1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.410 11.680 2.705 1.00 0.00 H new ATOM 158 N CYS A 13 -14.890 8.204 -0.138 1.00 0.00 N ATOM 159 CA CYS A 13 -14.465 7.221 -1.173 1.00 0.00 C ATOM 160 C CYS A 13 -14.770 5.802 -0.694 1.00 0.00 C ATOM 161 O CYS A 13 -14.540 4.833 -1.399 1.00 0.00 O ATOM 162 CB CYS A 13 -12.961 7.360 -1.421 1.00 0.00 C ATOM 163 SG CYS A 13 -12.615 7.053 -3.171 1.00 0.00 S ATOM 0 H CYS A 13 -14.311 8.232 0.701 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.009 7.415 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.625 8.359 -1.141 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.411 6.653 -0.800 1.00 0.00 H new ATOM 168 N CYS A 14 -15.279 5.660 0.499 1.00 0.00 N ATOM 169 CA CYS A 14 -15.576 4.294 1.002 1.00 0.00 C ATOM 170 C CYS A 14 -16.927 4.251 1.705 1.00 0.00 C ATOM 171 O CYS A 14 -17.538 5.264 1.986 1.00 0.00 O ATOM 172 CB CYS A 14 -14.472 3.857 1.971 1.00 0.00 C ATOM 173 SG CYS A 14 -14.672 4.703 3.560 1.00 0.00 S ATOM 0 H CYS A 14 -15.499 6.423 1.139 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.614 3.612 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.511 2.778 2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.494 4.086 1.548 1.00 0.00 H new ATOM 178 N ASP A 15 -17.391 3.067 1.981 1.00 0.00 N ATOM 179 CA ASP A 15 -18.700 2.905 2.658 1.00 0.00 C ATOM 180 C ASP A 15 -18.470 2.516 4.119 1.00 0.00 C ATOM 181 O ASP A 15 -18.001 1.430 4.418 1.00 0.00 O ATOM 182 CB ASP A 15 -19.484 1.799 1.955 1.00 0.00 C ATOM 183 CG ASP A 15 -20.983 2.082 2.065 1.00 0.00 C ATOM 184 OD1 ASP A 15 -21.341 3.243 2.171 1.00 0.00 O ATOM 185 OD2 ASP A 15 -21.748 1.132 2.043 1.00 0.00 O ATOM 0 H ASP A 15 -16.911 2.194 1.762 1.00 0.00 H new ATOM 0 HA ASP A 15 -19.259 3.840 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.191 1.742 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -19.252 0.833 2.404 1.00 0.00 H new ATOM 190 N ALA A 16 -18.800 3.394 5.030 1.00 0.00 N ATOM 191 CA ALA A 16 -18.609 3.082 6.473 1.00 0.00 C ATOM 192 C ALA A 16 -19.583 1.975 6.876 1.00 0.00 C ATOM 193 O ALA A 16 -19.307 1.182 7.755 1.00 0.00 O ATOM 194 CB ALA A 16 -18.879 4.333 7.310 1.00 0.00 C ATOM 0 H ALA A 16 -19.194 4.314 4.834 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.585 2.752 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.738 4.102 8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.188 5.123 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.903 4.667 7.145 1.00 0.00 H new ATOM 200 N ALA A 17 -20.717 1.908 6.235 1.00 0.00 N ATOM 201 CA ALA A 17 -21.698 0.844 6.577 1.00 0.00 C ATOM 202 C ALA A 17 -20.971 -0.499 6.590 1.00 0.00 C ATOM 203 O ALA A 17 -21.295 -1.391 7.349 1.00 0.00 O ATOM 204 CB ALA A 17 -22.809 0.815 5.526 1.00 0.00 C ATOM 0 H ALA A 17 -21.005 2.543 5.491 1.00 0.00 H new ATOM 0 HA ALA A 17 -22.138 1.041 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -23.527 0.035 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -23.314 1.780 5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -22.378 0.609 4.546 1.00 0.00 H new ATOM 210 N THR A 18 -19.980 -0.638 5.755 1.00 0.00 N ATOM 211 CA THR A 18 -19.210 -1.911 5.710 1.00 0.00 C ATOM 212 C THR A 18 -17.728 -1.610 5.948 1.00 0.00 C ATOM 213 O THR A 18 -16.925 -2.507 6.116 1.00 0.00 O ATOM 214 CB THR A 18 -19.388 -2.578 4.340 1.00 0.00 C ATOM 215 OG1 THR A 18 -18.196 -3.272 3.997 1.00 0.00 O ATOM 216 CG2 THR A 18 -19.683 -1.518 3.276 1.00 0.00 C ATOM 0 H THR A 18 -19.669 0.079 5.099 1.00 0.00 H new ATOM 0 HA THR A 18 -19.576 -2.586 6.484 1.00 0.00 H new ATOM 0 HB THR A 18 -20.222 -3.278 4.388 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.307 -3.701 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.808 -2.000 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 18 -20.598 -0.985 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.854 -0.812 3.226 1.00 0.00 H new ATOM 224 N CYS A 19 -17.357 -0.357 5.970 1.00 0.00 N ATOM 225 CA CYS A 19 -15.926 -0.016 6.205 1.00 0.00 C ATOM 226 C CYS A 19 -15.105 -0.310 4.952 1.00 0.00 C ATOM 227 O CYS A 19 -13.916 -0.093 4.918 1.00 0.00 O ATOM 228 CB CYS A 19 -15.409 -0.827 7.387 1.00 0.00 C ATOM 229 SG CYS A 19 -14.384 0.257 8.391 1.00 0.00 S ATOM 0 H CYS A 19 -17.980 0.440 5.836 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.833 1.046 6.431 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.240 -1.219 7.974 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -14.832 -1.684 7.039 1.00 0.00 H new ATOM 234 N LYS A 20 -15.731 -0.777 3.909 1.00 0.00 N ATOM 235 CA LYS A 20 -14.962 -1.066 2.662 1.00 0.00 C ATOM 236 C LYS A 20 -15.077 0.109 1.701 1.00 0.00 C ATOM 237 O LYS A 20 -15.766 1.076 1.959 1.00 0.00 O ATOM 238 CB LYS A 20 -15.507 -2.325 1.995 1.00 0.00 C ATOM 239 CG LYS A 20 -15.384 -3.506 2.959 1.00 0.00 C ATOM 240 CD LYS A 20 -15.630 -4.813 2.203 1.00 0.00 C ATOM 241 CE LYS A 20 -14.311 -5.325 1.620 1.00 0.00 C ATOM 242 NZ LYS A 20 -13.433 -5.802 2.725 1.00 0.00 N ATOM 0 H LYS A 20 -16.731 -0.970 3.863 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.914 -1.221 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.550 -2.178 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.956 -2.531 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.393 -3.517 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.104 -3.402 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.056 -5.558 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.354 -4.652 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.502 -6.136 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.814 -4.531 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.798 -6.544 2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.868 -5.007 3.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.019 -6.188 3.492 1.00 0.00 H new ATOM 256 N LEU A 21 -14.390 0.039 0.598 1.00 0.00 N ATOM 257 CA LEU A 21 -14.444 1.157 -0.375 1.00 0.00 C ATOM 258 C LEU A 21 -15.556 0.951 -1.369 1.00 0.00 C ATOM 259 O LEU A 21 -16.367 0.053 -1.266 1.00 0.00 O ATOM 260 CB LEU A 21 -13.171 1.207 -1.194 1.00 0.00 C ATOM 261 CG LEU A 21 -12.449 2.523 -0.930 1.00 0.00 C ATOM 262 CD1 LEU A 21 -11.728 2.467 0.417 1.00 0.00 C ATOM 263 CD2 LEU A 21 -11.439 2.751 -2.043 1.00 0.00 C ATOM 0 H LEU A 21 -13.794 -0.744 0.330 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.591 2.069 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.526 0.367 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.404 1.114 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.170 3.340 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.216 3.412 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.454 2.292 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.000 1.656 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.913 3.690 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.722 1.930 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.957 2.797 -3.001 1.00 0.00 H new ATOM 275 N ARG A 22 -15.541 1.761 -2.378 1.00 0.00 N ATOM 276 CA ARG A 22 -16.528 1.619 -3.452 1.00 0.00 C ATOM 277 C ARG A 22 -15.833 0.912 -4.623 1.00 0.00 C ATOM 278 O ARG A 22 -14.643 1.058 -4.817 1.00 0.00 O ATOM 279 CB ARG A 22 -17.021 2.997 -3.893 1.00 0.00 C ATOM 280 CG ARG A 22 -18.527 3.103 -3.647 1.00 0.00 C ATOM 281 CD ARG A 22 -18.818 4.335 -2.790 1.00 0.00 C ATOM 282 NE ARG A 22 -19.586 5.328 -3.593 1.00 0.00 N ATOM 283 CZ ARG A 22 -20.804 5.643 -3.248 1.00 0.00 C ATOM 284 NH1 ARG A 22 -21.009 6.484 -2.272 1.00 0.00 N ATOM 285 NH2 ARG A 22 -21.818 5.117 -3.881 1.00 0.00 N ATOM 0 H ARG A 22 -14.875 2.524 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.388 1.044 -3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.496 3.777 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.803 3.152 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.057 3.174 -4.597 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.889 2.205 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -19.386 4.050 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.885 4.777 -2.441 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.160 5.761 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.217 6.895 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.961 6.730 -2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.657 4.460 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -22.771 5.363 -3.612 1.00 0.00 H new ATOM 299 N PRO A 23 -16.604 0.181 -5.368 1.00 0.00 N ATOM 300 CA PRO A 23 -16.122 -0.563 -6.549 1.00 0.00 C ATOM 301 C PRO A 23 -15.616 0.399 -7.629 1.00 0.00 C ATOM 302 O PRO A 23 -15.043 -0.012 -8.617 1.00 0.00 O ATOM 303 CB PRO A 23 -17.360 -1.347 -7.004 1.00 0.00 C ATOM 304 CG PRO A 23 -18.575 -0.611 -6.392 1.00 0.00 C ATOM 305 CD PRO A 23 -18.038 0.052 -5.112 1.00 0.00 C ATOM 0 HA PRO A 23 -15.276 -1.217 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -17.427 -1.375 -8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -17.316 -2.381 -6.661 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -18.975 0.131 -7.083 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -19.384 -1.306 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -18.503 1.022 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -18.235 -0.559 -4.231 1.00 0.00 H new ATOM 313 N GLY A 24 -15.802 1.677 -7.439 1.00 0.00 N ATOM 314 CA GLY A 24 -15.306 2.657 -8.443 1.00 0.00 C ATOM 315 C GLY A 24 -13.875 3.056 -8.065 1.00 0.00 C ATOM 316 O GLY A 24 -13.059 3.369 -8.909 1.00 0.00 O ATOM 0 H GLY A 24 -16.276 2.083 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.327 2.220 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.951 3.535 -8.466 1.00 0.00 H new ATOM 320 N ALA A 25 -13.571 3.037 -6.793 1.00 0.00 N ATOM 321 CA ALA A 25 -12.201 3.401 -6.337 1.00 0.00 C ATOM 322 C ALA A 25 -11.514 2.156 -5.765 1.00 0.00 C ATOM 323 O ALA A 25 -12.145 1.143 -5.533 1.00 0.00 O ATOM 324 CB ALA A 25 -12.303 4.472 -5.249 1.00 0.00 C ATOM 0 H ALA A 25 -14.219 2.783 -6.047 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.621 3.786 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.303 4.743 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.801 5.354 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.878 4.083 -4.408 1.00 0.00 H new ATOM 330 N GLN A 26 -10.230 2.219 -5.535 1.00 0.00 N ATOM 331 CA GLN A 26 -9.517 1.033 -4.981 1.00 0.00 C ATOM 332 C GLN A 26 -9.000 1.349 -3.573 1.00 0.00 C ATOM 333 O GLN A 26 -8.708 0.461 -2.798 1.00 0.00 O ATOM 334 CB GLN A 26 -8.339 0.676 -5.889 1.00 0.00 C ATOM 335 CG GLN A 26 -8.537 -0.731 -6.452 1.00 0.00 C ATOM 336 CD GLN A 26 -9.231 -0.643 -7.813 1.00 0.00 C ATOM 337 OE1 GLN A 26 -10.320 -0.114 -7.919 1.00 0.00 O ATOM 338 NE2 GLN A 26 -8.642 -1.141 -8.864 1.00 0.00 N ATOM 0 H GLN A 26 -9.646 3.038 -5.706 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.207 0.191 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.262 1.397 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.406 0.727 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.574 -1.232 -6.554 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.136 -1.328 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.728 -1.585 -8.774 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.095 -1.087 -9.776 1.00 0.00 H new ATOM 347 N CYS A 27 -8.885 2.605 -3.238 1.00 0.00 N ATOM 348 CA CYS A 27 -8.386 2.971 -1.881 1.00 0.00 C ATOM 349 C CYS A 27 -9.039 4.277 -1.433 1.00 0.00 C ATOM 350 O CYS A 27 -9.183 5.205 -2.201 1.00 0.00 O ATOM 351 CB CYS A 27 -6.869 3.149 -1.922 1.00 0.00 C ATOM 352 SG CYS A 27 -6.437 4.304 -3.244 1.00 0.00 S ATOM 0 H CYS A 27 -9.114 3.393 -3.844 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.638 2.177 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.510 3.524 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -6.383 2.188 -2.090 1.00 0.00 H new ATOM 357 N GLY A 28 -9.430 4.359 -0.193 1.00 0.00 N ATOM 358 CA GLY A 28 -10.062 5.606 0.302 1.00 0.00 C ATOM 359 C GLY A 28 -8.977 6.478 0.902 1.00 0.00 C ATOM 360 O GLY A 28 -8.944 7.678 0.714 1.00 0.00 O ATOM 0 H GLY A 28 -9.338 3.614 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.563 6.128 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.822 5.377 1.049 1.00 0.00 H new ATOM 364 N GLU A 29 -8.085 5.877 1.625 1.00 0.00 N ATOM 365 CA GLU A 29 -6.990 6.652 2.244 1.00 0.00 C ATOM 366 C GLU A 29 -5.742 5.773 2.345 1.00 0.00 C ATOM 367 O GLU A 29 -5.659 4.727 1.731 1.00 0.00 O ATOM 368 CB GLU A 29 -7.441 7.103 3.626 1.00 0.00 C ATOM 369 CG GLU A 29 -7.556 5.891 4.549 1.00 0.00 C ATOM 370 CD GLU A 29 -6.291 5.777 5.402 1.00 0.00 C ATOM 371 OE1 GLU A 29 -5.978 6.734 6.091 1.00 0.00 O ATOM 372 OE2 GLU A 29 -5.657 4.737 5.349 1.00 0.00 O ATOM 0 H GLU A 29 -8.068 4.875 1.814 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.749 7.526 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.729 7.819 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.402 7.613 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.432 5.991 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.693 4.984 3.960 1.00 0.00 H new ATOM 379 N GLY A 30 -4.770 6.179 3.115 1.00 0.00 N ATOM 380 CA GLY A 30 -3.537 5.353 3.250 1.00 0.00 C ATOM 381 C GLY A 30 -2.303 6.208 2.954 1.00 0.00 C ATOM 382 O GLY A 30 -2.364 7.422 2.947 1.00 0.00 O ATOM 0 H GLY A 30 -4.776 7.044 3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.472 4.942 4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.578 4.508 2.563 1.00 0.00 H new ATOM 386 N LEU A 31 -1.184 5.582 2.714 1.00 0.00 N ATOM 387 CA LEU A 31 0.058 6.352 2.423 1.00 0.00 C ATOM 388 C LEU A 31 0.316 6.363 0.916 1.00 0.00 C ATOM 389 O LEU A 31 1.025 7.208 0.405 1.00 0.00 O ATOM 390 CB LEU A 31 1.245 5.690 3.130 1.00 0.00 C ATOM 391 CG LEU A 31 1.898 6.688 4.087 1.00 0.00 C ATOM 392 CD1 LEU A 31 2.634 7.760 3.282 1.00 0.00 C ATOM 393 CD2 LEU A 31 0.819 7.346 4.948 1.00 0.00 C ATOM 0 H LEU A 31 -1.076 4.568 2.707 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.061 7.375 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.909 4.811 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.973 5.347 2.395 1.00 0.00 H new ATOM 0 HG LEU A 31 2.608 6.166 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.100 8.472 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.402 7.290 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.926 8.283 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.282 8.058 5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.110 7.868 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.295 6.582 5.522 1.00 0.00 H new ATOM 405 N CYS A 32 -0.240 5.426 0.198 1.00 0.00 N ATOM 406 CA CYS A 32 -0.007 5.384 -1.272 1.00 0.00 C ATOM 407 C CYS A 32 -1.340 5.307 -2.018 1.00 0.00 C ATOM 408 O CYS A 32 -1.543 4.452 -2.856 1.00 0.00 O ATOM 409 CB CYS A 32 0.839 4.156 -1.612 1.00 0.00 C ATOM 410 SG CYS A 32 2.125 3.952 -0.354 1.00 0.00 S ATOM 0 H CYS A 32 -0.844 4.690 0.565 1.00 0.00 H new ATOM 0 HA CYS A 32 0.515 6.291 -1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.210 3.267 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.292 4.273 -2.597 1.00 0.00 H new ATOM 415 N CYS A 33 -2.249 6.199 -1.733 1.00 0.00 N ATOM 416 CA CYS A 33 -3.558 6.176 -2.443 1.00 0.00 C ATOM 417 C CYS A 33 -3.749 7.501 -3.184 1.00 0.00 C ATOM 418 O CYS A 33 -3.997 8.529 -2.586 1.00 0.00 O ATOM 419 CB CYS A 33 -4.696 5.979 -1.437 1.00 0.00 C ATOM 420 SG CYS A 33 -6.280 6.083 -2.303 1.00 0.00 S ATOM 0 H CYS A 33 -2.142 6.941 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.570 5.351 -3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.599 5.011 -0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.644 6.739 -0.657 1.00 0.00 H new ATOM 425 N GLU A 34 -3.628 7.484 -4.484 1.00 0.00 N ATOM 426 CA GLU A 34 -3.793 8.741 -5.267 1.00 0.00 C ATOM 427 C GLU A 34 -5.087 8.671 -6.079 1.00 0.00 C ATOM 428 O GLU A 34 -5.308 7.742 -6.831 1.00 0.00 O ATOM 429 CB GLU A 34 -2.604 8.905 -6.215 1.00 0.00 C ATOM 430 CG GLU A 34 -1.330 9.130 -5.400 1.00 0.00 C ATOM 431 CD GLU A 34 -0.271 9.795 -6.280 1.00 0.00 C ATOM 432 OE1 GLU A 34 -0.398 10.983 -6.529 1.00 0.00 O ATOM 433 OE2 GLU A 34 0.649 9.107 -6.689 1.00 0.00 O ATOM 0 H GLU A 34 -3.422 6.653 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.839 9.592 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.497 8.018 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.773 9.748 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.545 9.757 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.957 8.179 -5.019 1.00 0.00 H new ATOM 440 N GLN A 35 -5.947 9.640 -5.931 1.00 0.00 N ATOM 441 CA GLN A 35 -7.226 9.615 -6.694 1.00 0.00 C ATOM 442 C GLN A 35 -8.005 8.359 -6.307 1.00 0.00 C ATOM 443 O GLN A 35 -8.698 7.768 -7.113 1.00 0.00 O ATOM 444 CB GLN A 35 -6.927 9.593 -8.196 1.00 0.00 C ATOM 445 CG GLN A 35 -6.046 10.788 -8.559 1.00 0.00 C ATOM 446 CD GLN A 35 -6.467 11.339 -9.922 1.00 0.00 C ATOM 447 OE1 GLN A 35 -7.282 10.748 -10.604 1.00 0.00 O ATOM 448 NE2 GLN A 35 -5.944 12.455 -10.352 1.00 0.00 N ATOM 0 H GLN A 35 -5.820 10.445 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.815 10.502 -6.461 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.425 8.663 -8.464 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.857 9.628 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.136 11.563 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.999 10.486 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.260 12.951 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.219 12.831 -11.260 1.00 0.00 H new ATOM 457 N CYS A 36 -7.883 7.942 -5.078 1.00 0.00 N ATOM 458 CA CYS A 36 -8.596 6.716 -4.624 1.00 0.00 C ATOM 459 C CYS A 36 -8.108 5.516 -5.435 1.00 0.00 C ATOM 460 O CYS A 36 -8.700 4.456 -5.409 1.00 0.00 O ATOM 461 CB CYS A 36 -10.103 6.878 -4.823 1.00 0.00 C ATOM 462 SG CYS A 36 -10.793 7.869 -3.477 1.00 0.00 S ATOM 0 H CYS A 36 -7.317 8.401 -4.364 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.390 6.558 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.303 7.358 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.583 5.900 -4.850 1.00 0.00 H new ATOM 467 N LYS A 37 -7.032 5.674 -6.154 1.00 0.00 N ATOM 468 CA LYS A 37 -6.507 4.541 -6.963 1.00 0.00 C ATOM 469 C LYS A 37 -5.262 3.977 -6.283 1.00 0.00 C ATOM 470 O LYS A 37 -4.483 4.702 -5.695 1.00 0.00 O ATOM 471 CB LYS A 37 -6.143 5.039 -8.365 1.00 0.00 C ATOM 472 CG LYS A 37 -7.267 4.687 -9.341 1.00 0.00 C ATOM 473 CD LYS A 37 -8.608 5.157 -8.770 1.00 0.00 C ATOM 474 CE LYS A 37 -9.718 4.893 -9.790 1.00 0.00 C ATOM 475 NZ LYS A 37 -10.148 3.470 -9.700 1.00 0.00 N ATOM 0 H LYS A 37 -6.494 6.538 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.266 3.763 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.985 6.117 -8.350 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.208 4.585 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.086 5.159 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.290 3.611 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.823 4.632 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.562 6.220 -8.534 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.565 5.552 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.362 5.113 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.008 3.006 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.583 2.982 -8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.154 3.427 -9.440 1.00 0.00 H new ATOM 489 N PHE A 38 -5.065 2.691 -6.354 1.00 0.00 N ATOM 490 CA PHE A 38 -3.866 2.092 -5.708 1.00 0.00 C ATOM 491 C PHE A 38 -2.616 2.551 -6.451 1.00 0.00 C ATOM 492 O PHE A 38 -2.531 2.453 -7.658 1.00 0.00 O ATOM 493 CB PHE A 38 -3.946 0.565 -5.774 1.00 0.00 C ATOM 494 CG PHE A 38 -4.692 0.036 -4.572 1.00 0.00 C ATOM 495 CD1 PHE A 38 -4.396 0.520 -3.292 1.00 0.00 C ATOM 496 CD2 PHE A 38 -5.675 -0.947 -4.737 1.00 0.00 C ATOM 497 CE1 PHE A 38 -5.084 0.023 -2.178 1.00 0.00 C ATOM 498 CE2 PHE A 38 -6.364 -1.445 -3.624 1.00 0.00 C ATOM 499 CZ PHE A 38 -6.067 -0.960 -2.345 1.00 0.00 C ATOM 0 H PHE A 38 -5.680 2.031 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.825 2.410 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.451 0.258 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.942 0.141 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.637 1.277 -3.164 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.902 -1.322 -5.724 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.857 0.398 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.123 -2.202 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.597 -1.344 -1.486 1.00 0.00 H new ATOM 509 N SER A 39 -1.637 3.036 -5.744 1.00 0.00 N ATOM 510 CA SER A 39 -0.394 3.478 -6.427 1.00 0.00 C ATOM 511 C SER A 39 0.316 2.235 -6.957 1.00 0.00 C ATOM 512 O SER A 39 -0.079 1.122 -6.672 1.00 0.00 O ATOM 513 CB SER A 39 0.512 4.208 -5.434 1.00 0.00 C ATOM 514 OG SER A 39 1.081 3.263 -4.536 1.00 0.00 O ATOM 0 H SER A 39 -1.643 3.145 -4.730 1.00 0.00 H new ATOM 0 HA SER A 39 -0.631 4.159 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.300 4.741 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.060 4.953 -4.882 1.00 0.00 H new ATOM 0 HG SER A 39 2.051 3.397 -4.491 1.00 0.00 H new ATOM 520 N ARG A 40 1.352 2.399 -7.726 1.00 0.00 N ATOM 521 CA ARG A 40 2.055 1.202 -8.257 1.00 0.00 C ATOM 522 C ARG A 40 2.964 0.632 -7.168 1.00 0.00 C ATOM 523 O ARG A 40 3.204 1.261 -6.157 1.00 0.00 O ATOM 524 CB ARG A 40 2.894 1.590 -9.476 1.00 0.00 C ATOM 525 CG ARG A 40 2.722 0.534 -10.570 1.00 0.00 C ATOM 526 CD ARG A 40 2.055 1.167 -11.793 1.00 0.00 C ATOM 527 NE ARG A 40 3.040 1.246 -12.908 1.00 0.00 N ATOM 528 CZ ARG A 40 2.883 2.127 -13.857 1.00 0.00 C ATOM 529 NH1 ARG A 40 3.202 3.375 -13.648 1.00 0.00 N ATOM 530 NH2 ARG A 40 2.409 1.761 -15.016 1.00 0.00 N ATOM 0 H ARG A 40 1.740 3.299 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 40 1.323 0.452 -8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.585 2.567 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.944 1.672 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.692 0.120 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.116 -0.293 -10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.192 0.575 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.688 2.163 -11.546 1.00 0.00 H new ATOM 0 HE ARG A 40 3.838 0.611 -12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.574 3.662 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.079 4.064 -14.390 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.161 0.785 -15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.286 2.450 -15.758 1.00 0.00 H new ATOM 544 N ALA A 41 3.470 -0.553 -7.364 1.00 0.00 N ATOM 545 CA ALA A 41 4.361 -1.155 -6.335 1.00 0.00 C ATOM 546 C ALA A 41 5.728 -0.475 -6.389 1.00 0.00 C ATOM 547 O ALA A 41 6.137 0.035 -7.413 1.00 0.00 O ATOM 548 CB ALA A 41 4.520 -2.651 -6.605 1.00 0.00 C ATOM 0 H ALA A 41 3.306 -1.129 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 41 3.923 -1.014 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.173 -3.090 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.544 -3.134 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.957 -2.798 -7.593 1.00 0.00 H new ATOM 554 N GLY A 42 6.436 -0.457 -5.295 1.00 0.00 N ATOM 555 CA GLY A 42 7.773 0.198 -5.288 1.00 0.00 C ATOM 556 C GLY A 42 7.589 1.708 -5.139 1.00 0.00 C ATOM 557 O GLY A 42 8.387 2.492 -5.616 1.00 0.00 O ATOM 0 H GLY A 42 6.147 -0.867 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.378 -0.190 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.307 -0.027 -6.212 1.00 0.00 H new ATOM 561 N LYS A 43 6.546 2.122 -4.475 1.00 0.00 N ATOM 562 CA LYS A 43 6.311 3.583 -4.291 1.00 0.00 C ATOM 563 C LYS A 43 6.871 4.003 -2.933 1.00 0.00 C ATOM 564 O LYS A 43 6.702 3.320 -1.946 1.00 0.00 O ATOM 565 CB LYS A 43 4.802 3.867 -4.358 1.00 0.00 C ATOM 566 CG LYS A 43 4.473 5.230 -3.732 1.00 0.00 C ATOM 567 CD LYS A 43 4.529 6.313 -4.812 1.00 0.00 C ATOM 568 CE LYS A 43 3.558 7.441 -4.456 1.00 0.00 C ATOM 569 NZ LYS A 43 2.888 7.930 -5.693 1.00 0.00 N ATOM 0 H LYS A 43 5.846 1.513 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 43 6.810 4.150 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.470 3.849 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.256 3.081 -3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.482 5.204 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.182 5.458 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.543 6.705 -4.897 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.269 5.888 -5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.814 7.083 -3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.094 8.258 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.938 8.281 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.448 8.701 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.810 7.150 -6.377 1.00 0.00 H new ATOM 583 N ILE A 44 7.539 5.118 -2.870 1.00 0.00 N ATOM 584 CA ILE A 44 8.109 5.564 -1.570 1.00 0.00 C ATOM 585 C ILE A 44 6.971 5.968 -0.619 1.00 0.00 C ATOM 586 O ILE A 44 6.439 7.058 -0.693 1.00 0.00 O ATOM 587 CB ILE A 44 9.083 6.738 -1.821 1.00 0.00 C ATOM 588 CG1 ILE A 44 10.515 6.236 -1.636 1.00 0.00 C ATOM 589 CG2 ILE A 44 8.838 7.898 -0.845 1.00 0.00 C ATOM 590 CD1 ILE A 44 10.752 5.924 -0.158 1.00 0.00 C ATOM 0 H ILE A 44 7.715 5.739 -3.660 1.00 0.00 H new ATOM 0 HA ILE A 44 8.664 4.752 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 44 8.921 7.105 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.681 5.344 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.224 6.989 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.542 8.704 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.819 8.266 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.979 7.549 0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.772 5.565 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.602 6.827 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.051 5.156 0.169 1.00 0.00 H new ATOM 602 N CYS A 45 6.610 5.099 0.286 1.00 0.00 N ATOM 603 CA CYS A 45 5.530 5.440 1.255 1.00 0.00 C ATOM 604 C CYS A 45 6.167 6.156 2.435 1.00 0.00 C ATOM 605 O CYS A 45 5.597 7.051 3.026 1.00 0.00 O ATOM 606 CB CYS A 45 4.847 4.169 1.769 1.00 0.00 C ATOM 607 SG CYS A 45 6.101 2.958 2.260 1.00 0.00 S ATOM 0 H CYS A 45 7.015 4.170 0.396 1.00 0.00 H new ATOM 0 HA CYS A 45 4.786 6.066 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.206 4.407 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.207 3.750 0.993 1.00 0.00 H new ATOM 612 N ARG A 46 7.354 5.752 2.784 1.00 0.00 N ATOM 613 CA ARG A 46 8.052 6.391 3.934 1.00 0.00 C ATOM 614 C ARG A 46 9.548 6.505 3.636 1.00 0.00 C ATOM 615 O ARG A 46 10.044 5.956 2.672 1.00 0.00 O ATOM 616 CB ARG A 46 7.849 5.536 5.187 1.00 0.00 C ATOM 617 CG ARG A 46 6.388 5.621 5.633 1.00 0.00 C ATOM 618 CD ARG A 46 6.318 6.178 7.055 1.00 0.00 C ATOM 619 NE ARG A 46 5.575 7.469 7.045 1.00 0.00 N ATOM 620 CZ ARG A 46 5.152 7.987 8.166 1.00 0.00 C ATOM 621 NH1 ARG A 46 4.156 7.436 8.805 1.00 0.00 N ATOM 622 NH2 ARG A 46 5.725 9.056 8.648 1.00 0.00 N ATOM 0 H ARG A 46 7.873 5.005 2.322 1.00 0.00 H new ATOM 0 HA ARG A 46 7.641 7.387 4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.117 4.500 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.505 5.882 5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.826 6.261 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.928 4.634 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.821 5.465 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.323 6.327 7.449 1.00 0.00 H new ATOM 0 HE ARG A 46 5.397 7.948 6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.708 6.601 8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.826 7.841 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.503 9.487 8.149 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.395 9.461 9.524 1.00 0.00 H new ATOM 636 N ILE A 47 10.269 7.213 4.460 1.00 0.00 N ATOM 637 CA ILE A 47 11.734 7.365 4.236 1.00 0.00 C ATOM 638 C ILE A 47 12.459 7.290 5.581 1.00 0.00 C ATOM 639 O ILE A 47 12.249 8.106 6.456 1.00 0.00 O ATOM 640 CB ILE A 47 12.016 8.717 3.579 1.00 0.00 C ATOM 641 CG1 ILE A 47 13.523 8.870 3.357 1.00 0.00 C ATOM 642 CG2 ILE A 47 11.521 9.841 4.492 1.00 0.00 C ATOM 643 CD1 ILE A 47 13.791 9.187 1.884 1.00 0.00 C ATOM 0 H ILE A 47 9.905 7.695 5.282 1.00 0.00 H new ATOM 0 HA ILE A 47 12.088 6.567 3.583 1.00 0.00 H new ATOM 0 HB ILE A 47 11.498 8.771 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.916 9.667 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.039 7.953 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.722 10.805 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.449 9.733 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.040 9.787 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.864 9.296 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.413 8.375 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.288 10.115 1.614 1.00 0.00 H new ATOM 655 N ALA A 48 13.308 6.314 5.755 1.00 0.00 N ATOM 656 CA ALA A 48 14.041 6.185 7.045 1.00 0.00 C ATOM 657 C ALA A 48 15.316 7.029 6.998 1.00 0.00 C ATOM 658 O ALA A 48 16.169 6.834 6.154 1.00 0.00 O ATOM 659 CB ALA A 48 14.408 4.718 7.277 1.00 0.00 C ATOM 0 H ALA A 48 13.525 5.601 5.059 1.00 0.00 H new ATOM 0 HA ALA A 48 13.406 6.535 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.945 4.622 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.499 4.117 7.313 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.042 4.368 6.462 1.00 0.00 H new ATOM 665 N ARG A 49 15.454 7.963 7.897 1.00 0.00 N ATOM 666 CA ARG A 49 16.675 8.815 7.902 1.00 0.00 C ATOM 667 C ARG A 49 17.706 8.220 8.861 1.00 0.00 C ATOM 668 O ARG A 49 17.417 7.951 10.011 1.00 0.00 O ATOM 669 CB ARG A 49 16.311 10.230 8.356 1.00 0.00 C ATOM 670 CG ARG A 49 15.395 10.158 9.578 1.00 0.00 C ATOM 671 CD ARG A 49 13.969 10.529 9.169 1.00 0.00 C ATOM 672 NE ARG A 49 13.587 11.817 9.811 1.00 0.00 N ATOM 673 CZ ARG A 49 12.405 12.328 9.598 1.00 0.00 C ATOM 674 NH1 ARG A 49 11.473 11.604 9.040 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.156 13.562 9.939 1.00 0.00 N ATOM 0 H ARG A 49 14.774 8.173 8.628 1.00 0.00 H new ATOM 0 HA ARG A 49 17.094 8.855 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.215 10.788 8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.814 10.765 7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.414 9.154 10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.751 10.837 10.353 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.902 10.617 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.277 9.742 9.469 1.00 0.00 H new ATOM 0 HE ARG A 49 14.249 12.300 10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.669 10.640 8.771 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.549 12.002 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.885 14.128 10.372 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.232 13.961 9.772 1.00 0.00 H new ATOM 689 N GLY A 50 18.908 8.011 8.398 1.00 0.00 N ATOM 690 CA GLY A 50 19.956 7.434 9.282 1.00 0.00 C ATOM 691 C GLY A 50 20.617 6.246 8.581 1.00 0.00 C ATOM 692 O GLY A 50 21.055 6.343 7.452 1.00 0.00 O ATOM 0 H GLY A 50 19.208 8.216 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.703 8.191 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.515 7.114 10.226 1.00 0.00 H new ATOM 696 N ASP A 51 20.694 5.123 9.243 1.00 0.00 N ATOM 697 CA ASP A 51 21.327 3.930 8.615 1.00 0.00 C ATOM 698 C ASP A 51 20.245 2.914 8.246 1.00 0.00 C ATOM 699 O ASP A 51 20.407 1.724 8.432 1.00 0.00 O ATOM 700 CB ASP A 51 22.309 3.296 9.601 1.00 0.00 C ATOM 701 CG ASP A 51 23.739 3.496 9.096 1.00 0.00 C ATOM 702 OD1 ASP A 51 23.911 3.605 7.893 1.00 0.00 O ATOM 703 OD2 ASP A 51 24.637 3.537 9.920 1.00 0.00 O ATOM 0 H ASP A 51 20.346 4.981 10.191 1.00 0.00 H new ATOM 0 HA ASP A 51 21.862 4.233 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 22.194 3.747 10.587 1.00 0.00 H new ATOM 0 HB3 ASP A 51 22.096 2.233 9.710 1.00 0.00 H new ATOM 708 N MET A 52 19.142 3.373 7.723 1.00 0.00 N ATOM 709 CA MET A 52 18.050 2.435 7.342 1.00 0.00 C ATOM 710 C MET A 52 17.566 2.769 5.927 1.00 0.00 C ATOM 711 O MET A 52 17.716 3.885 5.471 1.00 0.00 O ATOM 712 CB MET A 52 16.888 2.577 8.328 1.00 0.00 C ATOM 713 CG MET A 52 16.971 1.471 9.381 1.00 0.00 C ATOM 714 SD MET A 52 15.316 0.804 9.687 1.00 0.00 S ATOM 715 CE MET A 52 14.917 1.837 11.119 1.00 0.00 C ATOM 0 H MET A 52 18.950 4.358 7.543 1.00 0.00 H new ATOM 0 HA MET A 52 18.422 1.411 7.367 1.00 0.00 H new ATOM 0 HB2 MET A 52 16.923 3.554 8.809 1.00 0.00 H new ATOM 0 HB3 MET A 52 15.938 2.517 7.797 1.00 0.00 H new ATOM 0 HG2 MET A 52 17.637 0.678 9.040 1.00 0.00 H new ATOM 0 HG3 MET A 52 17.393 1.865 10.306 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.919 1.589 11.479 1.00 0.00 H new ATOM 0 HE2 MET A 52 15.644 1.657 11.911 1.00 0.00 H new ATOM 0 HE3 MET A 52 14.948 2.887 10.830 1.00 0.00 H new ATOM 725 N PRO A 53 16.998 1.787 5.277 1.00 0.00 N ATOM 726 CA PRO A 53 16.478 1.939 3.907 1.00 0.00 C ATOM 727 C PRO A 53 15.124 2.654 3.925 1.00 0.00 C ATOM 728 O PRO A 53 14.699 3.174 4.939 1.00 0.00 O ATOM 729 CB PRO A 53 16.328 0.495 3.418 1.00 0.00 C ATOM 730 CG PRO A 53 16.219 -0.385 4.687 1.00 0.00 C ATOM 731 CD PRO A 53 16.823 0.434 5.844 1.00 0.00 C ATOM 0 HA PRO A 53 17.126 2.536 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.442 0.387 2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.184 0.199 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.180 -0.640 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.757 -1.324 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.161 0.448 6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.773 0.015 6.175 1.00 0.00 H new ATOM 739 N ASP A 54 14.444 2.683 2.812 1.00 0.00 N ATOM 740 CA ASP A 54 13.119 3.363 2.765 1.00 0.00 C ATOM 741 C ASP A 54 12.032 2.342 2.418 1.00 0.00 C ATOM 742 O ASP A 54 12.208 1.505 1.555 1.00 0.00 O ATOM 743 CB ASP A 54 13.145 4.459 1.697 1.00 0.00 C ATOM 744 CG ASP A 54 14.336 5.387 1.942 1.00 0.00 C ATOM 745 OD1 ASP A 54 14.905 5.316 3.018 1.00 0.00 O ATOM 746 OD2 ASP A 54 14.658 6.153 1.049 1.00 0.00 O ATOM 0 H ASP A 54 14.749 2.265 1.933 1.00 0.00 H new ATOM 0 HA ASP A 54 12.905 3.806 3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 54 13.217 4.013 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.216 5.029 1.723 1.00 0.00 H new ATOM 751 N ASP A 55 10.911 2.408 3.082 1.00 0.00 N ATOM 752 CA ASP A 55 9.814 1.445 2.785 1.00 0.00 C ATOM 753 C ASP A 55 9.158 1.823 1.455 1.00 0.00 C ATOM 754 O ASP A 55 9.073 2.982 1.104 1.00 0.00 O ATOM 755 CB ASP A 55 8.773 1.499 3.905 1.00 0.00 C ATOM 756 CG ASP A 55 8.050 0.153 3.996 1.00 0.00 C ATOM 757 OD1 ASP A 55 7.229 -0.116 3.135 1.00 0.00 O ATOM 758 OD2 ASP A 55 8.332 -0.584 4.925 1.00 0.00 O ATOM 0 H ASP A 55 10.708 3.086 3.816 1.00 0.00 H new ATOM 0 HA ASP A 55 10.219 0.435 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.257 1.729 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.056 2.297 3.711 1.00 0.00 H new ATOM 763 N ARG A 56 8.695 0.856 0.710 1.00 0.00 N ATOM 764 CA ARG A 56 8.052 1.171 -0.595 1.00 0.00 C ATOM 765 C ARG A 56 6.653 0.553 -0.643 1.00 0.00 C ATOM 766 O ARG A 56 6.435 -0.555 -0.194 1.00 0.00 O ATOM 767 CB ARG A 56 8.899 0.597 -1.733 1.00 0.00 C ATOM 768 CG ARG A 56 9.604 1.734 -2.471 1.00 0.00 C ATOM 769 CD ARG A 56 10.607 1.152 -3.471 1.00 0.00 C ATOM 770 NE ARG A 56 11.463 0.142 -2.787 1.00 0.00 N ATOM 771 CZ ARG A 56 12.539 0.521 -2.153 1.00 0.00 C ATOM 772 NH1 ARG A 56 13.626 0.798 -2.819 1.00 0.00 N ATOM 773 NH2 ARG A 56 12.527 0.620 -0.851 1.00 0.00 N ATOM 0 H ARG A 56 8.734 -0.135 0.949 1.00 0.00 H new ATOM 0 HA ARG A 56 7.974 2.253 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.634 -0.103 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.268 0.038 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.873 2.352 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.118 2.380 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.079 0.691 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.226 1.947 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 56 11.208 -0.845 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.635 0.718 -3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.467 1.094 -2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.677 0.401 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.367 0.916 -0.354 1.00 0.00 H new ATOM 787 N CYS A 57 5.704 1.263 -1.189 1.00 0.00 N ATOM 788 CA CYS A 57 4.316 0.716 -1.271 1.00 0.00 C ATOM 789 C CYS A 57 4.322 -0.563 -2.105 1.00 0.00 C ATOM 790 O CYS A 57 5.126 -0.723 -3.005 1.00 0.00 O ATOM 791 CB CYS A 57 3.386 1.723 -1.954 1.00 0.00 C ATOM 792 SG CYS A 57 3.761 3.404 -1.402 1.00 0.00 S ATOM 0 H CYS A 57 5.827 2.196 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 57 3.964 0.515 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.498 1.655 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.348 1.482 -1.726 1.00 0.00 H new ATOM 797 N THR A 58 3.425 -1.467 -1.820 1.00 0.00 N ATOM 798 CA THR A 58 3.365 -2.736 -2.597 1.00 0.00 C ATOM 799 C THR A 58 2.523 -2.526 -3.859 1.00 0.00 C ATOM 800 O THR A 58 2.361 -3.422 -4.662 1.00 0.00 O ATOM 801 CB THR A 58 2.728 -3.831 -1.737 1.00 0.00 C ATOM 802 OG1 THR A 58 1.368 -3.503 -1.489 1.00 0.00 O ATOM 803 CG2 THR A 58 3.479 -3.941 -0.410 1.00 0.00 C ATOM 0 H THR A 58 2.729 -1.380 -1.080 1.00 0.00 H new ATOM 0 HA THR A 58 4.374 -3.035 -2.880 1.00 0.00 H new ATOM 0 HB THR A 58 2.782 -4.785 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.957 -4.203 -0.940 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.025 -4.721 0.202 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.522 -4.192 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.426 -2.989 0.118 1.00 0.00 H new ATOM 811 N GLY A 59 1.986 -1.349 -4.039 1.00 0.00 N ATOM 812 CA GLY A 59 1.159 -1.087 -5.249 1.00 0.00 C ATOM 813 C GLY A 59 -0.300 -1.441 -4.958 1.00 0.00 C ATOM 814 O GLY A 59 -1.164 -0.587 -4.932 1.00 0.00 O ATOM 0 H GLY A 59 2.085 -0.560 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.239 -0.039 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.527 -1.677 -6.088 1.00 0.00 H new ATOM 818 N GLN A 60 -0.584 -2.696 -4.740 1.00 0.00 N ATOM 819 CA GLN A 60 -1.988 -3.104 -4.453 1.00 0.00 C ATOM 820 C GLN A 60 -2.372 -2.664 -3.038 1.00 0.00 C ATOM 821 O GLN A 60 -3.493 -2.850 -2.605 1.00 0.00 O ATOM 822 CB GLN A 60 -2.110 -4.625 -4.562 1.00 0.00 C ATOM 823 CG GLN A 60 -1.391 -5.107 -5.823 1.00 0.00 C ATOM 824 CD GLN A 60 -1.976 -6.451 -6.263 1.00 0.00 C ATOM 825 OE1 GLN A 60 -2.907 -6.946 -5.661 1.00 0.00 O ATOM 826 NE2 GLN A 60 -1.465 -7.065 -7.295 1.00 0.00 N ATOM 0 H GLN A 60 0.096 -3.456 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.655 -2.632 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.678 -5.099 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.160 -4.914 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.501 -4.372 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.323 -5.209 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.683 -6.649 -7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.848 -7.961 -7.596 1.00 0.00 H new ATOM 835 N SER A 61 -1.455 -2.087 -2.312 1.00 0.00 N ATOM 836 CA SER A 61 -1.778 -1.643 -0.926 1.00 0.00 C ATOM 837 C SER A 61 -1.812 -0.113 -0.867 1.00 0.00 C ATOM 838 O SER A 61 -1.133 0.563 -1.613 1.00 0.00 O ATOM 839 CB SER A 61 -0.711 -2.163 0.038 1.00 0.00 C ATOM 840 OG SER A 61 -0.938 -1.614 1.330 1.00 0.00 O ATOM 0 H SER A 61 -0.499 -1.904 -2.617 1.00 0.00 H new ATOM 0 HA SER A 61 -2.753 -2.038 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.744 -3.252 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.282 -1.888 -0.317 1.00 0.00 H new ATOM 0 HG SER A 61 -0.248 -0.947 1.528 1.00 0.00 H new ATOM 846 N ALA A 62 -2.596 0.436 0.022 1.00 0.00 N ATOM 847 CA ALA A 62 -2.671 1.919 0.135 1.00 0.00 C ATOM 848 C ALA A 62 -1.900 2.367 1.378 1.00 0.00 C ATOM 849 O ALA A 62 -1.357 3.453 1.426 1.00 0.00 O ATOM 850 CB ALA A 62 -4.134 2.350 0.257 1.00 0.00 C ATOM 0 H ALA A 62 -3.187 -0.079 0.674 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.234 2.377 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.188 3.436 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.684 2.026 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.574 1.896 1.145 1.00 0.00 H new ATOM 856 N ASP A 63 -1.845 1.537 2.383 1.00 0.00 N ATOM 857 CA ASP A 63 -1.106 1.910 3.621 1.00 0.00 C ATOM 858 C ASP A 63 0.318 1.360 3.541 1.00 0.00 C ATOM 859 O ASP A 63 0.601 0.452 2.786 1.00 0.00 O ATOM 860 CB ASP A 63 -1.813 1.319 4.843 1.00 0.00 C ATOM 861 CG ASP A 63 -3.309 1.626 4.766 1.00 0.00 C ATOM 862 OD1 ASP A 63 -3.891 1.382 3.722 1.00 0.00 O ATOM 863 OD2 ASP A 63 -3.848 2.100 5.752 1.00 0.00 O ATOM 0 H ASP A 63 -2.281 0.615 2.400 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.077 2.996 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.654 0.241 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.392 1.737 5.757 1.00 0.00 H new ATOM 868 N CYS A 64 1.219 1.902 4.312 1.00 0.00 N ATOM 869 CA CYS A 64 2.623 1.408 4.274 1.00 0.00 C ATOM 870 C CYS A 64 3.015 0.875 5.649 1.00 0.00 C ATOM 871 O CYS A 64 2.962 1.587 6.632 1.00 0.00 O ATOM 872 CB CYS A 64 3.553 2.550 3.871 1.00 0.00 C ATOM 873 SG CYS A 64 5.258 1.944 3.795 1.00 0.00 S ATOM 0 H CYS A 64 1.044 2.665 4.966 1.00 0.00 H new ATOM 0 HA CYS A 64 2.708 0.603 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.255 2.951 2.902 1.00 0.00 H new ATOM 0 HB3 CYS A 64 3.478 3.365 4.590 1.00 0.00 H new ATOM 878 N PRO A 65 3.391 -0.377 5.672 1.00 0.00 N ATOM 879 CA PRO A 65 3.793 -1.057 6.905 1.00 0.00 C ATOM 880 C PRO A 65 5.243 -0.719 7.259 1.00 0.00 C ATOM 881 O PRO A 65 5.835 0.184 6.702 1.00 0.00 O ATOM 882 CB PRO A 65 3.652 -2.536 6.548 1.00 0.00 C ATOM 883 CG PRO A 65 3.726 -2.638 5.010 1.00 0.00 C ATOM 884 CD PRO A 65 3.449 -1.233 4.466 1.00 0.00 C ATOM 0 HA PRO A 65 3.198 -0.767 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.445 -3.122 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.706 -2.933 6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.707 -2.991 4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 2.993 -3.351 4.633 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.236 -0.908 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.512 -1.200 3.909 1.00 0.00 H new ATOM 892 N ARG A 66 5.819 -1.440 8.183 1.00 0.00 N ATOM 893 CA ARG A 66 7.229 -1.162 8.573 1.00 0.00 C ATOM 894 C ARG A 66 8.035 -2.463 8.520 1.00 0.00 C ATOM 895 O ARG A 66 7.519 -3.508 8.177 1.00 0.00 O ATOM 896 CB ARG A 66 7.263 -0.598 9.995 1.00 0.00 C ATOM 897 CG ARG A 66 6.842 -1.685 10.986 1.00 0.00 C ATOM 898 CD ARG A 66 6.192 -1.036 12.209 1.00 0.00 C ATOM 899 NE ARG A 66 7.146 -0.075 12.829 1.00 0.00 N ATOM 900 CZ ARG A 66 6.715 1.065 13.296 1.00 0.00 C ATOM 901 NH1 ARG A 66 5.641 1.101 14.035 1.00 0.00 N ATOM 902 NH2 ARG A 66 7.358 2.167 13.025 1.00 0.00 N ATOM 0 H ARG A 66 5.373 -2.209 8.684 1.00 0.00 H new ATOM 0 HA ARG A 66 7.662 -0.436 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.266 -0.243 10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.594 0.259 10.074 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.143 -2.373 10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.710 -2.271 11.290 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.278 -0.519 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.909 -1.801 12.932 1.00 0.00 H new ATOM 0 HE ARG A 66 8.137 -0.308 12.889 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.139 0.239 14.247 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.303 1.991 14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.198 2.138 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.020 3.057 13.390 1.00 0.00 H new