USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 : X 16 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 156:sc= -0.0898 (180deg=-0.821) USER MOD Single : X 61 TYR OH : rot 123:sc= 0.686 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 34.886 -10.035 17.328 1.00 0.00 N ATOM 61 CA LEU X 6 33.924 -9.636 16.307 1.00 0.00 C ATOM 62 C LEU X 6 34.561 -9.687 14.924 1.00 0.00 C ATOM 63 O LEU X 6 35.526 -8.974 14.648 1.00 0.00 O ATOM 64 CB LEU X 6 33.435 -8.215 16.591 1.00 0.00 C ATOM 65 CG LEU X 6 32.798 -8.155 17.980 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.434 -6.708 18.311 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.528 -9.011 17.995 1.00 0.00 C ATOM 0 HA LEU X 6 33.082 -10.327 16.331 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.269 -7.515 16.532 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.711 -7.912 15.835 1.00 0.00 H new ATOM 0 HG LEU X 6 33.504 -8.533 18.720 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.980 -6.664 19.301 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.335 -6.094 18.298 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.728 -6.332 17.571 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.073 -8.969 18.985 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.824 -8.630 17.255 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.782 -10.044 17.756 1.00 0.00 H new ATOM 79 N CYS X 7 34.015 -10.532 14.055 1.00 0.00 N ATOM 80 CA CYS X 7 34.539 -10.664 12.702 1.00 0.00 C ATOM 81 C CYS X 7 33.478 -11.255 11.779 1.00 0.00 C ATOM 82 O CYS X 7 32.757 -12.177 12.160 1.00 0.00 O ATOM 83 CB CYS X 7 35.780 -11.559 12.703 1.00 0.00 C ATOM 84 SG CYS X 7 36.614 -11.432 11.103 1.00 0.00 S ATOM 0 H CYS X 7 33.216 -11.131 14.262 1.00 0.00 H new ATOM 0 HA CYS X 7 34.813 -9.674 12.338 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.457 -11.260 13.503 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.496 -12.593 12.896 1.00 0.00 H new ATOM 89 N GLY X 8 33.386 -10.721 10.564 1.00 0.00 N ATOM 90 CA GLY X 8 32.407 -11.209 9.601 1.00 0.00 C ATOM 91 C GLY X 8 31.168 -10.321 9.588 1.00 0.00 C ATOM 92 O GLY X 8 31.253 -9.116 9.822 1.00 0.00 O ATOM 0 H GLY X 8 33.972 -9.957 10.226 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.851 -11.235 8.606 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.124 -12.232 9.850 1.00 0.00 H new ATOM 96 N ALA X 9 30.018 -10.925 9.311 1.00 0.00 N ATOM 97 CA ALA X 9 28.767 -10.179 9.271 1.00 0.00 C ATOM 98 C ALA X 9 28.489 -9.532 10.619 1.00 0.00 C ATOM 99 O ALA X 9 27.975 -8.418 10.682 1.00 0.00 O ATOM 100 CB ALA X 9 27.606 -11.106 8.912 1.00 0.00 C ATOM 0 H ALA X 9 29.926 -11.921 9.112 1.00 0.00 H new ATOM 0 HA ALA X 9 28.861 -9.403 8.511 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.678 -10.534 8.886 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.785 -11.551 7.933 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.525 -11.895 9.660 1.00 0.00 H new ATOM 106 N GLU X 10 28.815 -10.240 11.694 1.00 0.00 N ATOM 107 CA GLU X 10 28.579 -9.717 13.032 1.00 0.00 C ATOM 108 C GLU X 10 29.349 -8.417 13.242 1.00 0.00 C ATOM 109 O GLU X 10 28.822 -7.461 13.809 1.00 0.00 O ATOM 110 CB GLU X 10 29.029 -10.743 14.076 1.00 0.00 C ATOM 111 CG GLU X 10 28.076 -11.940 14.061 1.00 0.00 C ATOM 112 CD GLU X 10 28.583 -13.024 15.006 1.00 0.00 C ATOM 113 OE1 GLU X 10 29.710 -12.909 15.460 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.836 -13.953 15.265 1.00 0.00 O ATOM 0 H GLU X 10 29.239 -11.167 11.666 1.00 0.00 H new ATOM 0 HA GLU X 10 27.513 -9.521 13.143 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.046 -11.072 13.863 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.042 -10.288 15.066 1.00 0.00 H new ATOM 0 HG2 GLU X 10 27.077 -11.623 14.361 1.00 0.00 H new ATOM 0 HG3 GLU X 10 27.994 -12.337 13.049 1.00 0.00 H new ATOM 121 N LEU X 11 30.593 -8.381 12.774 1.00 0.00 N ATOM 122 CA LEU X 11 31.408 -7.182 12.918 1.00 0.00 C ATOM 123 C LEU X 11 30.786 -6.018 12.152 1.00 0.00 C ATOM 124 O LEU X 11 30.664 -4.911 12.676 1.00 0.00 O ATOM 125 CB LEU X 11 32.820 -7.448 12.390 1.00 0.00 C ATOM 126 CG LEU X 11 33.677 -6.183 12.524 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.822 -5.812 14.001 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.058 -6.438 11.918 1.00 0.00 C ATOM 0 H LEU X 11 31.053 -9.157 12.298 1.00 0.00 H new ATOM 0 HA LEU X 11 31.458 -6.921 13.975 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.277 -8.267 12.946 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.774 -7.757 11.346 1.00 0.00 H new ATOM 0 HG LEU X 11 33.195 -5.361 11.995 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.431 -4.913 14.092 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.836 -5.627 14.428 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.302 -6.631 14.537 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.668 -5.540 12.012 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.540 -7.261 12.445 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.951 -6.695 10.864 1.00 0.00 H new ATOM 140 N VAL X 12 30.390 -6.278 10.909 1.00 0.00 N ATOM 141 CA VAL X 12 29.782 -5.241 10.084 1.00 0.00 C ATOM 142 C VAL X 12 28.490 -4.728 10.713 1.00 0.00 C ATOM 143 O VAL X 12 28.262 -3.522 10.798 1.00 0.00 O ATOM 144 CB VAL X 12 29.496 -5.792 8.685 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.560 -4.840 7.937 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.817 -5.894 7.910 1.00 0.00 C ATOM 0 H VAL X 12 30.478 -7.187 10.456 1.00 0.00 H new ATOM 0 HA VAL X 12 30.481 -4.408 10.011 1.00 0.00 H new ATOM 0 HB VAL X 12 29.029 -6.773 8.770 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.359 -5.235 6.941 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.623 -4.745 8.486 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.031 -3.861 7.850 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.624 -6.286 6.911 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.270 -4.906 7.831 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.497 -6.563 8.437 1.00 0.00 H new ATOM 156 N ASP X 13 27.656 -5.660 11.153 1.00 0.00 N ATOM 157 CA ASP X 13 26.391 -5.310 11.778 1.00 0.00 C ATOM 158 C ASP X 13 26.635 -4.511 13.051 1.00 0.00 C ATOM 159 O ASP X 13 25.923 -3.546 13.336 1.00 0.00 O ATOM 160 CB ASP X 13 25.597 -6.583 12.097 1.00 0.00 C ATOM 161 CG ASP X 13 25.043 -7.193 10.815 1.00 0.00 C ATOM 162 OD1 ASP X 13 25.070 -6.517 9.800 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.594 -8.326 10.870 1.00 0.00 O ATOM 0 H ASP X 13 27.833 -6.662 11.088 1.00 0.00 H new ATOM 0 HA ASP X 13 25.814 -4.696 11.087 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.239 -7.304 12.603 1.00 0.00 H new ATOM 0 HB3 ASP X 13 24.780 -6.349 12.780 1.00 0.00 H new ATOM 168 N ALA X 14 27.648 -4.913 13.810 1.00 0.00 N ATOM 169 CA ALA X 14 27.981 -4.221 15.047 1.00 0.00 C ATOM 170 C ALA X 14 28.374 -2.779 14.761 1.00 0.00 C ATOM 171 O ALA X 14 28.012 -1.872 15.507 1.00 0.00 O ATOM 172 CB ALA X 14 29.128 -4.935 15.759 1.00 0.00 C ATOM 0 H ALA X 14 28.248 -5.708 13.592 1.00 0.00 H new ATOM 0 HA ALA X 14 27.101 -4.226 15.691 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.367 -4.408 16.682 1.00 0.00 H new ATOM 0 HB2 ALA X 14 28.831 -5.958 15.992 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.005 -4.950 15.112 1.00 0.00 H new ATOM 178 N LEU X 15 29.120 -2.574 13.679 1.00 0.00 N ATOM 179 CA LEU X 15 29.558 -1.234 13.310 1.00 0.00 C ATOM 180 C LEU X 15 28.362 -0.332 13.038 1.00 0.00 C ATOM 181 O LEU X 15 28.344 0.826 13.454 1.00 0.00 O ATOM 182 CB LEU X 15 30.437 -1.303 12.058 1.00 0.00 C ATOM 183 CG LEU X 15 31.787 -1.931 12.407 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.530 -2.297 11.120 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.627 -0.919 13.190 1.00 0.00 C ATOM 0 H LEU X 15 29.431 -3.313 13.048 1.00 0.00 H new ATOM 0 HA LEU X 15 30.130 -0.818 14.140 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.941 -1.891 11.286 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.585 -0.303 11.651 1.00 0.00 H new ATOM 0 HG LEU X 15 31.624 -2.827 13.007 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.492 -2.744 11.370 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.936 -3.009 10.547 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.692 -1.398 10.525 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.590 -1.363 13.441 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.785 -0.029 12.581 1.00 0.00 H new ATOM 0 HD23 LEU X 15 32.105 -0.644 14.106 1.00 0.00 H new ATOM 197 N GLN X 16 27.365 -0.869 12.342 1.00 0.00 N ATOM 198 CA GLN X 16 26.172 -0.095 12.031 1.00 0.00 C ATOM 199 C GLN X 16 25.432 0.270 13.310 1.00 0.00 C ATOM 200 O GLN X 16 24.959 1.389 13.464 1.00 0.00 O ATOM 201 CB GLN X 16 25.250 -0.904 11.120 1.00 0.00 C ATOM 202 CG GLN X 16 25.896 -1.043 9.741 1.00 0.00 C ATOM 203 CD GLN X 16 24.998 -1.861 8.824 1.00 0.00 C ATOM 204 OE1 GLN X 16 23.774 -1.732 8.870 1.00 0.00 O ATOM 205 NE2 GLN X 16 25.536 -2.699 7.981 1.00 0.00 N ATOM 0 H GLN X 16 27.360 -1.825 11.987 1.00 0.00 H new ATOM 0 HA GLN X 16 26.473 0.820 11.521 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.068 -1.889 11.550 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.282 -0.411 11.033 1.00 0.00 H new ATOM 0 HG2 GLN X 16 26.068 -0.057 9.310 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.870 -1.524 9.834 1.00 0.00 H new ATOM 0 HE21 GLN X 16 26.550 -2.805 7.944 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.943 -3.248 7.359 1.00 0.00 H new ATOM 214 N PHE X 17 25.340 -0.686 14.227 1.00 0.00 N ATOM 215 CA PHE X 17 24.666 -0.449 15.504 1.00 0.00 C ATOM 216 C PHE X 17 25.377 0.623 16.322 1.00 0.00 C ATOM 217 O PHE X 17 24.750 1.557 16.820 1.00 0.00 O ATOM 218 CB PHE X 17 24.622 -1.742 16.314 1.00 0.00 C ATOM 219 CG PHE X 17 24.172 -1.441 17.727 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.807 -1.365 18.036 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.131 -1.228 18.729 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.401 -1.082 19.348 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.724 -0.944 20.040 1.00 0.00 C ATOM 224 CZ PHE X 17 23.359 -0.872 20.348 1.00 0.00 C ATOM 0 H PHE X 17 25.719 -1.626 14.115 1.00 0.00 H new ATOM 0 HA PHE X 17 23.655 -0.105 15.285 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.939 -2.452 15.848 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.607 -2.209 16.327 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.068 -1.524 17.264 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.183 -1.283 18.490 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.349 -1.026 19.587 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.462 -0.781 20.812 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.045 -0.654 21.358 1.00 0.00 H new ATOM 234 N VAL X 18 26.688 0.464 16.480 1.00 0.00 N ATOM 235 CA VAL X 18 27.471 1.406 17.267 1.00 0.00 C ATOM 236 C VAL X 18 27.452 2.801 16.643 1.00 0.00 C ATOM 237 O VAL X 18 27.209 3.794 17.325 1.00 0.00 O ATOM 238 CB VAL X 18 28.919 0.918 17.365 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.776 1.982 18.053 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.973 -0.377 18.182 1.00 0.00 C ATOM 0 H VAL X 18 27.226 -0.303 16.076 1.00 0.00 H new ATOM 0 HA VAL X 18 27.027 1.465 18.261 1.00 0.00 H new ATOM 0 HB VAL X 18 29.302 0.733 16.361 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.806 1.632 18.121 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.744 2.905 17.474 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.389 2.169 19.055 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.005 -0.722 18.250 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.586 -0.192 19.184 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.367 -1.140 17.694 1.00 0.00 H new ATOM 250 N CYS X 19 27.721 2.863 15.346 1.00 0.00 N ATOM 251 CA CYS X 19 27.747 4.137 14.639 1.00 0.00 C ATOM 252 C CYS X 19 26.333 4.719 14.543 1.00 0.00 C ATOM 253 O CYS X 19 26.128 5.934 14.634 1.00 0.00 O ATOM 254 CB CYS X 19 28.318 3.938 13.230 1.00 0.00 C ATOM 255 SG CYS X 19 30.046 3.378 13.304 1.00 0.00 S ATOM 0 H CYS X 19 27.923 2.050 14.764 1.00 0.00 H new ATOM 0 HA CYS X 19 28.380 4.832 15.192 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.717 3.206 12.690 1.00 0.00 H new ATOM 0 HB3 CYS X 19 28.258 4.873 12.673 1.00 0.00 H new ATOM 260 N GLY X 20 25.359 3.842 14.350 1.00 0.00 N ATOM 261 CA GLY X 20 23.971 4.270 14.233 1.00 0.00 C ATOM 262 C GLY X 20 23.787 5.194 13.037 1.00 0.00 C ATOM 263 O GLY X 20 24.227 4.885 11.929 1.00 0.00 O ATOM 0 H GLY X 20 25.502 2.835 14.271 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.325 3.398 14.127 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.666 4.784 15.145 1.00 0.00 H new ATOM 267 N ASP X 21 23.141 6.328 13.271 1.00 0.00 N ATOM 268 CA ASP X 21 22.895 7.292 12.208 1.00 0.00 C ATOM 269 C ASP X 21 24.209 7.755 11.594 1.00 0.00 C ATOM 270 O ASP X 21 24.284 8.016 10.393 1.00 0.00 O ATOM 271 CB ASP X 21 22.135 8.504 12.756 1.00 0.00 C ATOM 272 CG ASP X 21 20.696 8.115 13.077 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.288 7.040 12.671 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.019 8.903 13.719 1.00 0.00 O ATOM 0 H ASP X 21 22.779 6.602 14.184 1.00 0.00 H new ATOM 0 HA ASP X 21 22.294 6.806 11.440 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.628 8.878 13.653 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.148 9.313 12.025 1.00 0.00 H new ATOM 279 N ARG X 22 25.244 7.857 12.418 1.00 0.00 N ATOM 280 CA ARG X 22 26.543 8.293 11.931 1.00 0.00 C ATOM 281 C ARG X 22 27.074 7.324 10.880 1.00 0.00 C ATOM 282 O ARG X 22 27.663 7.737 9.883 1.00 0.00 O ATOM 283 CB ARG X 22 27.529 8.375 13.096 1.00 0.00 C ATOM 284 CG ARG X 22 27.128 9.524 14.022 1.00 0.00 C ATOM 285 CD ARG X 22 27.990 9.480 15.283 1.00 0.00 C ATOM 286 NE ARG X 22 27.669 8.304 16.085 1.00 0.00 N ATOM 287 CZ ARG X 22 28.376 7.991 17.172 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.388 8.733 17.551 1.00 0.00 N ATOM 289 NH2 ARG X 22 28.056 6.935 17.869 1.00 0.00 N ATOM 0 H ARG X 22 25.209 7.646 13.415 1.00 0.00 H new ATOM 0 HA ARG X 22 26.431 9.277 11.476 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.536 7.435 13.647 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.540 8.532 12.720 1.00 0.00 H new ATOM 0 HG2 ARG X 22 27.257 10.479 13.513 1.00 0.00 H new ATOM 0 HG3 ARG X 22 26.073 9.443 14.285 1.00 0.00 H new ATOM 0 HD2 ARG X 22 29.045 9.462 15.008 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.829 10.383 15.872 1.00 0.00 H new ATOM 0 HE ARG X 22 26.888 7.709 15.809 1.00 0.00 H new ATOM 0 HH11 ARG X 22 29.643 9.561 17.013 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.920 8.482 18.384 1.00 0.00 H new ATOM 0 HH21 ARG X 22 27.269 6.354 17.582 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.593 6.691 18.701 1.00 0.00 H new ATOM 303 N GLY X 23 26.861 6.031 11.109 1.00 0.00 N ATOM 304 CA GLY X 23 27.325 5.016 10.168 1.00 0.00 C ATOM 305 C GLY X 23 28.849 5.025 10.068 1.00 0.00 C ATOM 306 O GLY X 23 29.532 5.593 10.916 1.00 0.00 O ATOM 0 H GLY X 23 26.376 5.664 11.928 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.983 4.032 10.489 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.891 5.199 9.185 1.00 0.00 H new ATOM 310 N PHE X 24 29.373 4.398 9.020 1.00 0.00 N ATOM 311 CA PHE X 24 30.817 4.349 8.811 1.00 0.00 C ATOM 312 C PHE X 24 31.135 4.119 7.337 1.00 0.00 C ATOM 313 O PHE X 24 30.274 3.692 6.568 1.00 0.00 O ATOM 314 CB PHE X 24 31.438 3.237 9.660 1.00 0.00 C ATOM 315 CG PHE X 24 30.872 1.908 9.246 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.527 1.138 8.280 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.683 1.450 9.820 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.990 -0.093 7.891 1.00 0.00 C ATOM 319 CE2 PHE X 24 29.150 0.221 9.434 1.00 0.00 C ATOM 320 CZ PHE X 24 29.801 -0.552 8.468 1.00 0.00 C ATOM 0 H PHE X 24 28.824 3.919 8.306 1.00 0.00 H new ATOM 0 HA PHE X 24 31.242 5.305 9.115 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.521 3.236 9.539 1.00 0.00 H new ATOM 0 HB3 PHE X 24 31.236 3.416 10.716 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.445 1.493 7.836 1.00 0.00 H new ATOM 0 HD2 PHE X 24 29.177 2.048 10.563 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.493 -0.690 7.145 1.00 0.00 H new ATOM 0 HE2 PHE X 24 28.234 -0.134 9.882 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.386 -1.503 8.167 1.00 0.00 H new ATOM 330 N TYR X 25 32.372 4.407 6.949 1.00 0.00 N ATOM 331 CA TYR X 25 32.784 4.230 5.561 1.00 0.00 C ATOM 332 C TYR X 25 34.251 3.818 5.488 1.00 0.00 C ATOM 333 O TYR X 25 34.988 3.938 6.467 1.00 0.00 O ATOM 334 CB TYR X 25 32.587 5.532 4.781 1.00 0.00 C ATOM 335 CG TYR X 25 33.580 6.565 5.264 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.833 6.668 4.647 1.00 0.00 C ATOM 337 CD2 TYR X 25 33.249 7.417 6.322 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.756 7.618 5.091 1.00 0.00 C ATOM 339 CE2 TYR X 25 34.175 8.370 6.767 1.00 0.00 C ATOM 340 CZ TYR X 25 35.428 8.473 6.150 1.00 0.00 C ATOM 341 OH TYR X 25 36.337 9.413 6.586 1.00 0.00 O ATOM 0 H TYR X 25 33.101 4.761 7.569 1.00 0.00 H new ATOM 0 HA TYR X 25 32.169 3.445 5.121 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.722 5.353 3.714 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.570 5.899 4.916 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.086 6.012 3.827 1.00 0.00 H new ATOM 0 HD2 TYR X 25 32.281 7.341 6.795 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.723 7.693 4.617 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.922 9.026 7.587 1.00 0.00 H new ATOM 0 HH TYR X 25 35.949 9.924 7.327 1.00 0.00 H new ATOM 613 N ILE X 44 39.670 -1.152 9.693 1.00 0.00 N ATOM 614 CA ILE X 44 39.011 -1.320 10.985 1.00 0.00 C ATOM 615 C ILE X 44 38.508 -2.752 11.140 1.00 0.00 C ATOM 616 O ILE X 44 38.449 -3.280 12.251 1.00 0.00 O ATOM 617 CB ILE X 44 37.837 -0.339 11.105 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.758 -0.687 10.071 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.339 1.084 10.849 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.561 0.247 10.245 1.00 0.00 C ATOM 0 HA ILE X 44 39.732 -1.113 11.776 1.00 0.00 H new ATOM 0 HB ILE X 44 37.412 -0.408 12.106 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.162 -0.593 9.063 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.444 -1.724 10.193 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.508 1.784 10.933 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.103 1.338 11.584 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.764 1.145 9.847 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.796 -0.002 9.510 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.152 0.131 11.248 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.881 1.279 10.101 1.00 0.00 H new ATOM 632 N VAL X 45 38.155 -3.369 10.016 1.00 0.00 N ATOM 633 CA VAL X 45 37.661 -4.743 10.028 1.00 0.00 C ATOM 634 C VAL X 45 38.726 -5.694 10.542 1.00 0.00 C ATOM 635 O VAL X 45 38.454 -6.540 11.390 1.00 0.00 O ATOM 636 CB VAL X 45 37.234 -5.163 8.622 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.986 -6.676 8.595 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.941 -4.429 8.250 1.00 0.00 C ATOM 0 H VAL X 45 38.201 -2.943 9.090 1.00 0.00 H new ATOM 0 HA VAL X 45 36.800 -4.788 10.695 1.00 0.00 H new ATOM 0 HB VAL X 45 38.019 -4.911 7.909 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.681 -6.977 7.593 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.902 -7.200 8.868 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.198 -6.928 9.305 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.631 -4.724 7.248 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.158 -4.687 8.963 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.114 -3.353 8.274 1.00 0.00 H new ATOM 648 N ASP X 46 39.934 -5.544 10.018 1.00 0.00 N ATOM 649 CA ASP X 46 41.042 -6.390 10.427 1.00 0.00 C ATOM 650 C ASP X 46 41.398 -6.150 11.886 1.00 0.00 C ATOM 651 O ASP X 46 41.738 -7.082 12.603 1.00 0.00 O ATOM 652 CB ASP X 46 42.267 -6.117 9.559 1.00 0.00 C ATOM 653 CG ASP X 46 42.038 -6.652 8.151 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.096 -7.405 7.970 1.00 0.00 O ATOM 655 OD2 ASP X 46 42.810 -6.301 7.273 1.00 0.00 O ATOM 0 H ASP X 46 40.170 -4.847 9.312 1.00 0.00 H new ATOM 0 HA ASP X 46 40.732 -7.428 10.304 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.465 -5.046 9.522 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.146 -6.589 9.998 1.00 0.00 H new ATOM 660 N GLU X 47 41.344 -4.896 12.320 1.00 0.00 N ATOM 661 CA GLU X 47 41.697 -4.580 13.699 1.00 0.00 C ATOM 662 C GLU X 47 40.776 -5.300 14.681 1.00 0.00 C ATOM 663 O GLU X 47 41.244 -5.956 15.609 1.00 0.00 O ATOM 664 CB GLU X 47 41.579 -3.073 13.909 1.00 0.00 C ATOM 665 CG GLU X 47 41.949 -2.717 15.350 1.00 0.00 C ATOM 666 CD GLU X 47 41.939 -1.203 15.534 1.00 0.00 C ATOM 667 OE1 GLU X 47 41.728 -0.508 14.552 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.139 -0.759 16.652 1.00 0.00 O ATOM 0 H GLU X 47 41.065 -4.097 11.751 1.00 0.00 H new ATOM 0 HA GLU X 47 42.719 -4.911 13.882 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.236 -2.548 13.215 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.562 -2.746 13.694 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.243 -3.180 16.040 1.00 0.00 H new ATOM 0 HG3 GLU X 47 42.936 -3.114 15.589 1.00 0.00 H new ATOM 675 N CYS X 48 39.470 -5.169 14.475 1.00 0.00 N ATOM 676 CA CYS X 48 38.501 -5.816 15.357 1.00 0.00 C ATOM 677 C CYS X 48 38.483 -7.326 15.136 1.00 0.00 C ATOM 678 O CYS X 48 38.385 -8.104 16.086 1.00 0.00 O ATOM 679 CB CYS X 48 37.106 -5.260 15.103 1.00 0.00 C ATOM 680 SG CYS X 48 37.060 -3.536 15.638 1.00 0.00 S ATOM 0 H CYS X 48 39.060 -4.627 13.714 1.00 0.00 H new ATOM 0 HA CYS X 48 38.798 -5.612 16.386 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.858 -5.333 14.044 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.363 -5.844 15.646 1.00 0.00 H new ATOM 685 N CYS X 49 38.562 -7.726 13.869 1.00 0.00 N ATOM 686 CA CYS X 49 38.539 -9.142 13.519 1.00 0.00 C ATOM 687 C CYS X 49 39.708 -9.877 14.159 1.00 0.00 C ATOM 688 O CYS X 49 39.530 -10.938 14.754 1.00 0.00 O ATOM 689 CB CYS X 49 38.595 -9.310 11.996 1.00 0.00 C ATOM 690 SG CYS X 49 38.546 -11.073 11.578 1.00 0.00 S ATOM 0 H CYS X 49 38.642 -7.093 13.073 1.00 0.00 H new ATOM 0 HA CYS X 49 37.610 -9.570 13.896 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.756 -8.792 11.532 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.506 -8.858 11.603 1.00 0.00 H new ATOM 695 N PHE X 50 40.901 -9.312 14.030 1.00 0.00 N ATOM 696 CA PHE X 50 42.087 -9.933 14.601 1.00 0.00 C ATOM 697 C PHE X 50 42.258 -9.514 16.060 1.00 0.00 C ATOM 698 O PHE X 50 42.096 -10.321 16.972 1.00 0.00 O ATOM 699 CB PHE X 50 43.315 -9.518 13.788 1.00 0.00 C ATOM 700 CG PHE X 50 43.320 -10.262 12.476 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.509 -9.816 11.425 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.140 -11.383 12.302 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.509 -10.490 10.198 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.143 -12.060 11.075 1.00 0.00 C ATOM 705 CZ PHE X 50 43.329 -11.615 10.022 1.00 0.00 C ATOM 0 H PHE X 50 41.072 -8.434 13.540 1.00 0.00 H new ATOM 0 HA PHE X 50 41.976 -11.017 14.566 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.301 -8.443 13.609 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.225 -9.736 14.346 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.881 -8.948 11.562 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.768 -11.725 13.111 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.880 -10.145 9.390 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.773 -12.926 10.939 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.334 -12.138 9.077 1.00 0.00 H new ATOM 715 N ARG X 51 42.584 -8.240 16.263 1.00 0.00 N ATOM 716 CA ARG X 51 42.779 -7.712 17.608 1.00 0.00 C ATOM 717 C ARG X 51 41.437 -7.393 18.259 1.00 0.00 C ATOM 718 O ARG X 51 40.425 -7.249 17.578 1.00 0.00 O ATOM 719 CB ARG X 51 43.637 -6.445 17.552 1.00 0.00 C ATOM 720 CG ARG X 51 45.027 -6.800 17.026 1.00 0.00 C ATOM 721 CD ARG X 51 45.834 -5.520 16.821 1.00 0.00 C ATOM 722 NE ARG X 51 46.094 -4.866 18.100 1.00 0.00 N ATOM 723 CZ ARG X 51 46.705 -3.681 18.163 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.093 -3.067 17.070 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.921 -3.126 19.323 1.00 0.00 N ATOM 0 H ARG X 51 42.718 -7.558 15.516 1.00 0.00 H new ATOM 0 HA ARG X 51 43.288 -8.469 18.205 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.169 -5.703 16.905 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.714 -6.000 18.544 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.538 -7.456 17.731 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.944 -7.345 16.086 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.777 -5.754 16.327 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.290 -4.842 16.164 1.00 0.00 H new ATOM 0 HE ARG X 51 45.803 -5.324 18.963 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.929 -3.495 16.159 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.559 -2.162 17.132 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.623 -3.597 20.177 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.388 -2.221 19.376 1.00 0.00 H new ATOM 739 N SER X 52 41.434 -7.286 19.581 1.00 0.00 N ATOM 740 CA SER X 52 40.204 -6.981 20.299 1.00 0.00 C ATOM 741 C SER X 52 40.023 -5.474 20.427 1.00 0.00 C ATOM 742 O SER X 52 40.631 -4.838 21.288 1.00 0.00 O ATOM 743 CB SER X 52 40.248 -7.613 21.689 1.00 0.00 C ATOM 744 OG SER X 52 39.075 -7.257 22.407 1.00 0.00 O ATOM 0 H SER X 52 42.257 -7.404 20.171 1.00 0.00 H new ATOM 0 HA SER X 52 39.362 -7.390 19.740 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.321 -8.697 21.605 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.134 -7.274 22.227 1.00 0.00 H new ATOM 0 HG SER X 52 39.101 -7.663 23.298 1.00 0.00 H new ATOM 750 N CYS X 53 39.182 -4.905 19.567 1.00 0.00 N ATOM 751 CA CYS X 53 38.930 -3.471 19.599 1.00 0.00 C ATOM 752 C CYS X 53 37.784 -3.151 20.553 1.00 0.00 C ATOM 753 O CYS X 53 36.749 -3.817 20.540 1.00 0.00 O ATOM 754 CB CYS X 53 38.592 -2.973 18.188 1.00 0.00 C ATOM 755 SG CYS X 53 37.005 -3.663 17.656 1.00 0.00 S ATOM 0 H CYS X 53 38.668 -5.412 18.846 1.00 0.00 H new ATOM 0 HA CYS X 53 39.828 -2.965 19.954 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.547 -1.884 18.178 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.378 -3.266 17.491 1.00 0.00 H new ATOM 760 N ASP X 54 37.978 -2.124 21.375 1.00 0.00 N ATOM 761 CA ASP X 54 36.955 -1.715 22.333 1.00 0.00 C ATOM 762 C ASP X 54 35.834 -0.946 21.637 1.00 0.00 C ATOM 763 O ASP X 54 36.025 -0.396 20.553 1.00 0.00 O ATOM 764 CB ASP X 54 37.575 -0.844 23.425 1.00 0.00 C ATOM 765 CG ASP X 54 38.434 -1.703 24.349 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.338 -2.915 24.257 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.169 -1.133 25.139 1.00 0.00 O ATOM 0 H ASP X 54 38.829 -1.562 21.398 1.00 0.00 H new ATOM 0 HA ASP X 54 36.533 -2.614 22.783 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.183 -0.059 22.975 1.00 0.00 H new ATOM 0 HB3 ASP X 54 36.790 -0.351 23.998 1.00 0.00 H new ATOM 772 N LEU X 55 34.666 -0.913 22.268 1.00 0.00 N ATOM 773 CA LEU X 55 33.525 -0.208 21.700 1.00 0.00 C ATOM 774 C LEU X 55 33.841 1.275 21.556 1.00 0.00 C ATOM 775 O LEU X 55 33.479 1.903 20.561 1.00 0.00 O ATOM 776 CB LEU X 55 32.302 -0.390 22.601 1.00 0.00 C ATOM 777 CG LEU X 55 31.822 -1.844 22.533 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.772 -2.085 23.621 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.203 -2.117 21.156 1.00 0.00 C ATOM 0 H LEU X 55 34.485 -1.362 23.166 1.00 0.00 H new ATOM 0 HA LEU X 55 33.312 -0.621 20.714 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.553 -0.128 23.629 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.503 0.282 22.286 1.00 0.00 H new ATOM 0 HG LEU X 55 32.668 -2.513 22.688 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.430 -3.119 23.574 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.211 -1.893 24.600 1.00 0.00 H new ATOM 0 HD13 LEU X 55 29.926 -1.415 23.465 1.00 0.00 H new ATOM 0 HD21 LEU X 55 30.862 -3.151 21.109 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.357 -1.448 20.999 1.00 0.00 H new ATOM 0 HD23 LEU X 55 31.950 -1.946 20.381 1.00 0.00 H new ATOM 791 N ARG X 56 34.525 1.833 22.549 1.00 0.00 N ATOM 792 CA ARG X 56 34.883 3.243 22.509 1.00 0.00 C ATOM 793 C ARG X 56 35.744 3.534 21.283 1.00 0.00 C ATOM 794 O ARG X 56 35.496 4.496 20.557 1.00 0.00 O ATOM 795 CB ARG X 56 35.646 3.621 23.780 1.00 0.00 C ATOM 796 CG ARG X 56 36.009 5.106 23.739 1.00 0.00 C ATOM 797 CD ARG X 56 36.689 5.500 25.051 1.00 0.00 C ATOM 798 NE ARG X 56 37.085 6.902 25.003 1.00 0.00 N ATOM 799 CZ ARG X 56 36.209 7.886 25.222 1.00 0.00 C ATOM 800 NH1 ARG X 56 34.951 7.624 25.482 1.00 0.00 N ATOM 801 NH2 ARG X 56 36.607 9.128 25.173 1.00 0.00 N ATOM 0 H ARG X 56 34.839 1.336 23.382 1.00 0.00 H new ATOM 0 HA ARG X 56 33.971 3.836 22.448 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.036 3.410 24.658 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.550 3.018 23.867 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.673 5.306 22.898 1.00 0.00 H new ATOM 0 HG3 ARG X 56 35.112 5.707 23.587 1.00 0.00 H new ATOM 0 HD2 ARG X 56 36.010 5.333 25.887 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.563 4.872 25.221 1.00 0.00 H new ATOM 0 HE ARG X 56 38.056 7.138 24.797 1.00 0.00 H new ATOM 0 HH11 ARG X 56 34.629 6.657 25.519 1.00 0.00 H new ATOM 0 HH12 ARG X 56 34.295 8.387 25.647 1.00 0.00 H new ATOM 0 HH21 ARG X 56 37.583 9.343 24.968 1.00 0.00 H new ATOM 0 HH22 ARG X 56 35.942 9.884 25.339 1.00 0.00 H new ATOM 815 N ARG X 57 36.753 2.694 21.039 1.00 0.00 N ATOM 816 CA ARG X 57 37.614 2.871 19.894 1.00 0.00 C ATOM 817 C ARG X 57 36.826 2.664 18.607 1.00 0.00 C ATOM 818 O ARG X 57 37.033 3.361 17.622 1.00 0.00 O ATOM 819 CB ARG X 57 38.762 1.874 19.971 1.00 0.00 C ATOM 820 CG ARG X 57 39.654 2.061 18.758 1.00 0.00 C ATOM 821 CD ARG X 57 40.873 1.159 18.897 1.00 0.00 C ATOM 822 NE ARG X 57 41.794 1.673 19.906 1.00 0.00 N ATOM 823 CZ ARG X 57 42.901 1.003 20.248 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.193 -0.146 19.685 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.703 1.500 21.148 1.00 0.00 N ATOM 0 H ARG X 57 36.984 1.891 21.624 1.00 0.00 H new ATOM 0 HA ARG X 57 38.013 3.885 19.895 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.333 2.026 20.887 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.376 0.855 20.002 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.107 1.818 17.847 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.964 3.103 18.675 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.555 0.152 19.169 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.385 1.083 17.938 1.00 0.00 H new ATOM 0 HE ARG X 57 41.589 2.563 20.361 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.573 -0.539 18.977 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.040 -0.646 19.955 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.485 2.395 21.587 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.548 0.994 21.413 1.00 0.00 H new ATOM 839 N LEU X 58 35.925 1.686 18.621 1.00 0.00 N ATOM 840 CA LEU X 58 35.120 1.385 17.442 1.00 0.00 C ATOM 841 C LEU X 58 34.357 2.624 16.983 1.00 0.00 C ATOM 842 O LEU X 58 34.120 2.814 15.791 1.00 0.00 O ATOM 843 CB LEU X 58 34.129 0.263 17.757 1.00 0.00 C ATOM 844 CG LEU X 58 33.690 -0.418 16.456 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.830 -1.295 15.928 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.458 -1.286 16.720 1.00 0.00 C ATOM 0 H LEU X 58 35.735 1.093 19.429 1.00 0.00 H new ATOM 0 HA LEU X 58 35.788 1.066 16.642 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.590 -0.466 18.423 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.261 0.667 18.278 1.00 0.00 H new ATOM 0 HG LEU X 58 33.444 0.343 15.715 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.518 -1.779 15.003 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.706 -0.676 15.736 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.078 -2.055 16.669 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.148 -1.769 15.793 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.701 -2.047 17.462 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.646 -0.662 17.093 1.00 0.00 H new ATOM 858 N ASP X 59 33.975 3.464 17.937 1.00 0.00 N ATOM 859 CA ASP X 59 33.240 4.688 17.626 1.00 0.00 C ATOM 860 C ASP X 59 34.092 5.636 16.779 1.00 0.00 C ATOM 861 O ASP X 59 33.568 6.509 16.095 1.00 0.00 O ATOM 862 CB ASP X 59 32.827 5.393 18.918 1.00 0.00 C ATOM 863 CG ASP X 59 31.754 4.584 19.635 1.00 0.00 C ATOM 864 OD1 ASP X 59 30.672 4.455 19.086 1.00 0.00 O ATOM 865 OD2 ASP X 59 32.031 4.098 20.720 1.00 0.00 O ATOM 0 H ASP X 59 34.160 3.323 18.930 1.00 0.00 H new ATOM 0 HA ASP X 59 32.351 4.414 17.058 1.00 0.00 H new ATOM 0 HB2 ASP X 59 33.694 5.518 19.567 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.451 6.391 18.693 1.00 0.00 H new ATOM 870 N MET X 60 35.406 5.464 16.836 1.00 0.00 N ATOM 871 CA MET X 60 36.314 6.312 16.072 1.00 0.00 C ATOM 872 C MET X 60 36.094 6.122 14.574 1.00 0.00 C ATOM 873 O MET X 60 36.215 7.065 13.791 1.00 0.00 O ATOM 874 CB MET X 60 37.763 5.980 16.414 1.00 0.00 C ATOM 875 CG MET X 60 38.046 6.386 17.861 1.00 0.00 C ATOM 876 SD MET X 60 39.718 5.866 18.319 1.00 0.00 S ATOM 877 CE MET X 60 40.612 7.059 17.294 1.00 0.00 C ATOM 0 H MET X 60 35.866 4.749 17.400 1.00 0.00 H new ATOM 0 HA MET X 60 36.108 7.350 16.335 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.945 4.914 16.281 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.438 6.505 15.738 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.946 7.466 17.973 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.316 5.928 18.528 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.606 7.223 17.710 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.703 6.671 16.279 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.067 8.003 17.274 1.00 0.00 H new ATOM 887 N TYR X 61 35.780 4.893 14.180 1.00 0.00 N ATOM 888 CA TYR X 61 35.550 4.586 12.771 1.00 0.00 C ATOM 889 C TYR X 61 34.191 5.116 12.315 1.00 0.00 C ATOM 890 O TYR X 61 33.929 5.215 11.114 1.00 0.00 O ATOM 891 CB TYR X 61 35.610 3.074 12.547 1.00 0.00 C ATOM 892 CG TYR X 61 36.752 2.493 13.350 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.566 1.322 14.095 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.999 3.133 13.355 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.629 0.789 14.833 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.058 2.597 14.095 1.00 0.00 C ATOM 897 CZ TYR X 61 38.872 1.427 14.837 1.00 0.00 C ATOM 898 OH TYR X 61 39.914 0.898 15.571 1.00 0.00 O ATOM 0 H TYR X 61 35.679 4.097 14.810 1.00 0.00 H new ATOM 0 HA TYR X 61 36.330 5.072 12.185 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.669 2.613 12.846 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.748 2.857 11.488 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.604 0.831 14.100 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.142 4.040 12.787 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.488 -0.118 15.401 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.020 3.087 14.093 1.00 0.00 H new ATOM 0 HH TYR X 61 40.677 0.727 14.980 1.00 0.00 H new ATOM 908 N CYS X 62 33.329 5.467 13.268 1.00 0.00 N ATOM 909 CA CYS X 62 32.012 5.991 12.931 1.00 0.00 C ATOM 910 C CYS X 62 32.144 7.388 12.330 1.00 0.00 C ATOM 911 O CYS X 62 33.096 8.113 12.625 1.00 0.00 O ATOM 912 CB CYS X 62 31.138 6.054 14.184 1.00 0.00 C ATOM 913 SG CYS X 62 30.893 4.386 14.834 1.00 0.00 S ATOM 0 H CYS X 62 33.518 5.398 14.268 1.00 0.00 H new ATOM 0 HA CYS X 62 31.547 5.328 12.201 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.610 6.684 14.938 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.176 6.508 13.947 1.00 0.00 H new ATOM 918 N ALA X 63 31.189 7.759 11.483 1.00 0.00 N ATOM 919 CA ALA X 63 31.209 9.059 10.840 1.00 0.00 C ATOM 920 C ALA X 63 30.957 10.169 11.864 1.00 0.00 C ATOM 921 O ALA X 63 30.384 9.930 12.925 1.00 0.00 O ATOM 922 CB ALA X 63 30.134 9.114 9.748 1.00 0.00 C ATOM 0 H ALA X 63 30.393 7.174 11.229 1.00 0.00 H new ATOM 0 HA ALA X 63 32.192 9.210 10.393 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.153 10.092 9.268 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.330 8.341 9.005 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.153 8.948 10.194 1.00 0.00 H new