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=-1.4!) 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 153:sc= -2.38 (180deg=-3.16!) USER MOD Single : X 61 TYR OH : rot 166:sc= -0.135 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 33.295 -10.182 15.556 1.00 0.00 N ATOM 61 CA LEU X 6 33.080 -8.945 14.817 1.00 0.00 C ATOM 62 C LEU X 6 33.742 -9.019 13.446 1.00 0.00 C ATOM 63 O LEU X 6 34.451 -8.099 13.039 1.00 0.00 O ATOM 64 CB LEU X 6 33.655 -7.766 15.602 1.00 0.00 C ATOM 65 CG LEU X 6 33.061 -7.747 17.013 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.699 -6.614 17.820 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.550 -7.515 16.927 1.00 0.00 C ATOM 0 HA LEU X 6 32.008 -8.804 14.681 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.741 -7.847 15.655 1.00 0.00 H new ATOM 0 HB3 LEU X 6 33.430 -6.831 15.089 1.00 0.00 H new ATOM 0 HG LEU X 6 33.258 -8.701 17.502 1.00 0.00 H new ATOM 0 HD11 LEU X 6 33.276 -6.600 18.825 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.776 -6.773 17.881 1.00 0.00 H new ATOM 0 HD13 LEU X 6 33.500 -5.661 17.330 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.126 -7.501 17.931 1.00 0.00 H new ATOM 0 HD22 LEU X 6 31.356 -6.560 16.438 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.091 -8.318 16.350 1.00 0.00 H new ATOM 79 N CYS X 7 33.516 -10.122 12.741 1.00 0.00 N ATOM 80 CA CYS X 7 34.103 -10.304 11.419 1.00 0.00 C ATOM 81 C CYS X 7 33.009 -10.478 10.368 1.00 0.00 C ATOM 82 O CYS X 7 31.957 -11.056 10.647 1.00 0.00 O ATOM 83 CB CYS X 7 35.004 -11.540 11.419 1.00 0.00 C ATOM 84 SG CYS X 7 36.278 -11.355 12.689 1.00 0.00 S ATOM 0 H CYS X 7 32.935 -10.898 13.060 1.00 0.00 H new ATOM 0 HA CYS X 7 34.691 -9.419 11.176 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.412 -12.435 11.610 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.466 -11.666 10.440 1.00 0.00 H new ATOM 89 N GLY X 8 33.267 -9.987 9.159 1.00 0.00 N ATOM 90 CA GLY X 8 32.299 -10.107 8.075 1.00 0.00 C ATOM 91 C GLY X 8 30.990 -9.410 8.428 1.00 0.00 C ATOM 92 O GLY X 8 30.968 -8.215 8.724 1.00 0.00 O ATOM 0 H GLY X 8 34.131 -9.506 8.907 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.712 -9.672 7.165 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.109 -11.160 7.868 1.00 0.00 H new ATOM 96 N ALA X 9 29.899 -10.167 8.384 1.00 0.00 N ATOM 97 CA ALA X 9 28.584 -9.619 8.697 1.00 0.00 C ATOM 98 C ALA X 9 28.560 -9.071 10.116 1.00 0.00 C ATOM 99 O ALA X 9 27.912 -8.064 10.388 1.00 0.00 O ATOM 100 CB ALA X 9 27.510 -10.700 8.549 1.00 0.00 C ATOM 0 H ALA X 9 29.898 -11.156 8.136 1.00 0.00 H new ATOM 0 HA ALA X 9 28.377 -8.808 7.999 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.533 -10.277 8.786 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.506 -11.071 7.524 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.725 -11.522 9.232 1.00 0.00 H new ATOM 106 N GLU X 10 29.254 -9.751 11.019 1.00 0.00 N ATOM 107 CA GLU X 10 29.292 -9.326 12.411 1.00 0.00 C ATOM 108 C GLU X 10 29.885 -7.927 12.521 1.00 0.00 C ATOM 109 O GLU X 10 29.401 -7.101 13.289 1.00 0.00 O ATOM 110 CB GLU X 10 30.139 -10.305 13.225 1.00 0.00 C ATOM 111 CG GLU X 10 29.416 -11.650 13.336 1.00 0.00 C ATOM 112 CD GLU X 10 28.085 -11.477 14.057 1.00 0.00 C ATOM 113 OE1 GLU X 10 28.084 -10.888 15.125 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.083 -11.933 13.530 1.00 0.00 O ATOM 0 H GLU X 10 29.794 -10.592 10.815 1.00 0.00 H new ATOM 0 HA GLU X 10 28.274 -9.311 12.801 1.00 0.00 H new ATOM 0 HB2 GLU X 10 31.110 -10.442 12.749 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.325 -9.899 14.219 1.00 0.00 H new ATOM 0 HG2 GLU X 10 29.248 -12.063 12.342 1.00 0.00 H new ATOM 0 HG3 GLU X 10 30.040 -12.362 13.876 1.00 0.00 H new ATOM 121 N LEU X 11 30.932 -7.663 11.745 1.00 0.00 N ATOM 122 CA LEU X 11 31.567 -6.350 11.770 1.00 0.00 C ATOM 123 C LEU X 11 30.585 -5.275 11.313 1.00 0.00 C ATOM 124 O LEU X 11 30.438 -4.241 11.961 1.00 0.00 O ATOM 125 CB LEU X 11 32.794 -6.343 10.853 1.00 0.00 C ATOM 126 CG LEU X 11 33.438 -4.950 10.846 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.912 -4.588 12.255 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.635 -4.948 9.892 1.00 0.00 C ATOM 0 H LEU X 11 31.354 -8.331 11.100 1.00 0.00 H new ATOM 0 HA LEU X 11 31.877 -6.136 12.793 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.517 -7.085 11.193 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.503 -6.623 9.841 1.00 0.00 H new ATOM 0 HG LEU X 11 32.702 -4.217 10.515 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.368 -3.598 12.242 1.00 0.00 H new ATOM 0 HD12 LEU X 11 33.061 -4.587 12.936 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.645 -5.321 12.592 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.094 -3.959 9.886 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.366 -5.685 10.224 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.299 -5.198 8.886 1.00 0.00 H new ATOM 140 N VAL X 12 29.914 -5.530 10.194 1.00 0.00 N ATOM 141 CA VAL X 12 28.952 -4.571 9.662 1.00 0.00 C ATOM 142 C VAL X 12 27.812 -4.338 10.643 1.00 0.00 C ATOM 143 O VAL X 12 27.425 -3.200 10.906 1.00 0.00 O ATOM 144 CB VAL X 12 28.393 -5.078 8.330 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.167 -4.254 7.937 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.466 -4.908 7.247 1.00 0.00 C ATOM 0 H VAL X 12 30.017 -6.382 9.643 1.00 0.00 H new ATOM 0 HA VAL X 12 29.468 -3.624 9.504 1.00 0.00 H new ATOM 0 HB VAL X 12 28.112 -6.127 8.429 1.00 0.00 H new ATOM 0 HG11 VAL X 12 26.773 -4.618 6.988 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.403 -4.349 8.708 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.450 -3.207 7.834 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.080 -5.266 6.293 1.00 0.00 H new ATOM 0 HG22 VAL X 12 29.731 -3.854 7.159 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.351 -5.483 7.519 1.00 0.00 H new ATOM 156 N ASP X 13 27.278 -5.430 11.179 1.00 0.00 N ATOM 157 CA ASP X 13 26.179 -5.346 12.129 1.00 0.00 C ATOM 158 C ASP X 13 26.607 -4.600 13.389 1.00 0.00 C ATOM 159 O ASP X 13 25.864 -3.771 13.911 1.00 0.00 O ATOM 160 CB ASP X 13 25.707 -6.756 12.498 1.00 0.00 C ATOM 161 CG ASP X 13 24.956 -7.380 11.329 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.619 -6.653 10.409 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.726 -8.579 11.370 1.00 0.00 O ATOM 0 H ASP X 13 27.588 -6.379 10.972 1.00 0.00 H new ATOM 0 HA ASP X 13 25.361 -4.796 11.664 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.563 -7.377 12.763 1.00 0.00 H new ATOM 0 HB3 ASP X 13 25.060 -6.714 13.375 1.00 0.00 H new ATOM 168 N ALA X 14 27.808 -4.895 13.870 1.00 0.00 N ATOM 169 CA ALA X 14 28.316 -4.240 15.068 1.00 0.00 C ATOM 170 C ALA X 14 28.482 -2.745 14.838 1.00 0.00 C ATOM 171 O ALA X 14 28.137 -1.935 15.700 1.00 0.00 O ATOM 172 CB ALA X 14 29.659 -4.846 15.465 1.00 0.00 C ATOM 0 H ALA X 14 28.443 -5.576 13.454 1.00 0.00 H new ATOM 0 HA ALA X 14 27.595 -4.393 15.871 1.00 0.00 H new ATOM 0 HB1 ALA X 14 30.031 -4.350 16.362 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.533 -5.910 15.665 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.373 -4.711 14.653 1.00 0.00 H new ATOM 178 N LEU X 15 29.013 -2.385 13.673 1.00 0.00 N ATOM 179 CA LEU X 15 29.220 -0.981 13.344 1.00 0.00 C ATOM 180 C LEU X 15 27.885 -0.246 13.284 1.00 0.00 C ATOM 181 O LEU X 15 27.756 0.867 13.792 1.00 0.00 O ATOM 182 CB LEU X 15 29.931 -0.865 11.993 1.00 0.00 C ATOM 183 CG LEU X 15 31.385 -1.325 12.129 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.007 -1.477 10.738 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.178 -0.281 12.928 1.00 0.00 C ATOM 0 H LEU X 15 29.305 -3.040 12.948 1.00 0.00 H new ATOM 0 HA LEU X 15 29.837 -0.528 14.120 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.416 -1.472 11.248 1.00 0.00 H new ATOM 0 HB3 LEU X 15 29.898 0.166 11.642 1.00 0.00 H new ATOM 0 HG LEU X 15 31.414 -2.283 12.648 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.042 -1.804 10.836 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.445 -2.216 10.167 1.00 0.00 H new ATOM 0 HD13 LEU X 15 31.977 -0.519 10.219 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.213 -0.607 13.026 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.147 0.676 12.408 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.738 -0.170 13.919 1.00 0.00 H new ATOM 197 N GLN X 16 26.892 -0.884 12.672 1.00 0.00 N ATOM 198 CA GLN X 16 25.568 -0.286 12.564 1.00 0.00 C ATOM 199 C GLN X 16 24.935 -0.138 13.943 1.00 0.00 C ATOM 200 O GLN X 16 24.312 0.876 14.246 1.00 0.00 O ATOM 201 CB GLN X 16 24.674 -1.147 11.673 1.00 0.00 C ATOM 202 CG GLN X 16 23.337 -0.439 11.467 1.00 0.00 C ATOM 203 CD GLN X 16 22.465 -1.242 10.509 1.00 0.00 C ATOM 204 OE1 GLN X 16 22.895 -2.277 9.998 1.00 0.00 O ATOM 205 NE2 GLN X 16 21.260 -0.825 10.229 1.00 0.00 N ATOM 0 H GLN X 16 26.978 -1.807 12.247 1.00 0.00 H new ATOM 0 HA GLN X 16 25.671 0.703 12.118 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.158 -1.321 10.712 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.515 -2.123 12.132 1.00 0.00 H new ATOM 0 HG2 GLN X 16 22.828 -0.321 12.423 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.504 0.562 11.068 1.00 0.00 H new ATOM 0 HE21 GLN X 16 20.906 0.032 10.653 1.00 0.00 H new ATOM 0 HE22 GLN X 16 20.673 -1.356 9.586 1.00 0.00 H new ATOM 214 N PHE X 17 25.113 -1.151 14.781 1.00 0.00 N ATOM 215 CA PHE X 17 24.569 -1.121 16.133 1.00 0.00 C ATOM 216 C PHE X 17 25.120 0.062 16.921 1.00 0.00 C ATOM 217 O PHE X 17 24.367 0.814 17.539 1.00 0.00 O ATOM 218 CB PHE X 17 24.929 -2.414 16.861 1.00 0.00 C ATOM 219 CG PHE X 17 24.676 -2.247 18.340 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.390 -2.430 18.866 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.737 -1.897 19.186 1.00 0.00 C ATOM 222 CE1 PHE X 17 23.169 -2.268 20.241 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.515 -1.734 20.559 1.00 0.00 C ATOM 224 CZ PHE X 17 24.230 -1.921 21.086 1.00 0.00 C ATOM 0 H PHE X 17 25.628 -2.001 14.550 1.00 0.00 H new ATOM 0 HA PHE X 17 23.486 -1.019 16.059 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.335 -3.241 16.471 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.976 -2.663 16.686 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.571 -2.695 18.214 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.727 -1.753 18.779 1.00 0.00 H new ATOM 0 HE1 PHE X 17 22.179 -2.411 20.649 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.333 -1.465 21.211 1.00 0.00 H new ATOM 0 HZ PHE X 17 24.058 -1.797 22.145 1.00 0.00 H new ATOM 234 N VAL X 18 26.436 0.213 16.898 1.00 0.00 N ATOM 235 CA VAL X 18 27.078 1.301 17.619 1.00 0.00 C ATOM 236 C VAL X 18 26.641 2.649 17.052 1.00 0.00 C ATOM 237 O VAL X 18 26.353 3.586 17.796 1.00 0.00 O ATOM 238 CB VAL X 18 28.599 1.164 17.522 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.257 2.397 18.133 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.054 -0.083 18.285 1.00 0.00 C ATOM 0 H VAL X 18 27.076 -0.399 16.392 1.00 0.00 H new ATOM 0 HA VAL X 18 26.778 1.250 18.666 1.00 0.00 H new ATOM 0 HB VAL X 18 28.888 1.073 16.475 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.341 2.302 18.065 1.00 0.00 H new ATOM 0 HG12 VAL X 18 28.936 3.287 17.591 1.00 0.00 H new ATOM 0 HG13 VAL X 18 28.965 2.484 19.180 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.138 -0.178 18.214 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.765 0.006 19.332 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.583 -0.966 17.853 1.00 0.00 H new ATOM 250 N CYS X 19 26.601 2.737 15.726 1.00 0.00 N ATOM 251 CA CYS X 19 26.207 3.975 15.060 1.00 0.00 C ATOM 252 C CYS X 19 24.991 3.751 14.169 1.00 0.00 C ATOM 253 O CYS X 19 25.066 3.895 12.950 1.00 0.00 O ATOM 254 CB CYS X 19 27.366 4.494 14.213 1.00 0.00 C ATOM 255 SG CYS X 19 28.766 4.880 15.292 1.00 0.00 S ATOM 0 H CYS X 19 26.835 1.971 15.094 1.00 0.00 H new ATOM 0 HA CYS X 19 25.948 4.708 15.824 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.656 3.746 13.475 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.060 5.384 13.662 1.00 0.00 H new ATOM 260 N GLY X 20 23.870 3.405 14.791 1.00 0.00 N ATOM 261 CA GLY X 20 22.637 3.165 14.050 1.00 0.00 C ATOM 262 C GLY X 20 22.175 4.426 13.330 1.00 0.00 C ATOM 263 O GLY X 20 21.708 4.368 12.194 1.00 0.00 O ATOM 0 H GLY X 20 23.789 3.285 15.801 1.00 0.00 H new ATOM 0 HA2 GLY X 20 22.794 2.366 13.326 1.00 0.00 H new ATOM 0 HA3 GLY X 20 21.858 2.827 14.734 1.00 0.00 H new ATOM 267 N ASP X 21 22.295 5.562 14.007 1.00 0.00 N ATOM 268 CA ASP X 21 21.872 6.829 13.427 1.00 0.00 C ATOM 269 C ASP X 21 23.025 7.512 12.695 1.00 0.00 C ATOM 270 O ASP X 21 22.864 7.974 11.566 1.00 0.00 O ATOM 271 CB ASP X 21 21.360 7.747 14.535 1.00 0.00 C ATOM 272 CG ASP X 21 20.040 7.222 15.085 1.00 0.00 C ATOM 273 OD1 ASP X 21 19.461 6.352 14.454 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.624 7.700 16.128 1.00 0.00 O ATOM 0 H ASP X 21 22.678 5.631 14.950 1.00 0.00 H new ATOM 0 HA ASP X 21 21.078 6.630 12.707 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.097 7.809 15.336 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.225 8.757 14.147 1.00 0.00 H new ATOM 279 N ARG X 22 24.184 7.578 13.345 1.00 0.00 N ATOM 280 CA ARG X 22 25.348 8.214 12.736 1.00 0.00 C ATOM 281 C ARG X 22 25.794 7.446 11.497 1.00 0.00 C ATOM 282 O ARG X 22 26.148 8.041 10.480 1.00 0.00 O ATOM 283 CB ARG X 22 26.498 8.280 13.743 1.00 0.00 C ATOM 284 CG ARG X 22 26.160 9.288 14.841 1.00 0.00 C ATOM 285 CD ARG X 22 27.392 9.526 15.713 1.00 0.00 C ATOM 286 NE ARG X 22 27.745 8.298 16.419 1.00 0.00 N ATOM 287 CZ ARG X 22 27.139 7.939 17.554 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.182 8.671 18.067 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.496 6.839 18.157 1.00 0.00 N ATOM 0 H ARG X 22 24.341 7.204 14.281 1.00 0.00 H new ATOM 0 HA ARG X 22 25.070 9.225 12.440 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.670 7.296 14.179 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.420 8.571 13.239 1.00 0.00 H new ATOM 0 HG2 ARG X 22 25.829 10.227 14.398 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.337 8.915 15.450 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.228 9.854 15.095 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.193 10.323 16.429 1.00 0.00 H new ATOM 0 HE ARG X 22 28.475 7.697 16.035 1.00 0.00 H new ATOM 0 HH11 ARG X 22 25.890 9.529 17.599 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.729 8.383 18.934 1.00 0.00 H new ATOM 0 HH21 ARG X 22 28.235 6.257 17.762 1.00 0.00 H new ATOM 0 HH22 ARG X 22 27.036 6.560 19.024 1.00 0.00 H new ATOM 303 N GLY X 23 25.773 6.121 11.591 1.00 0.00 N ATOM 304 CA GLY X 23 26.172 5.279 10.469 1.00 0.00 C ATOM 305 C GLY X 23 27.691 5.256 10.315 1.00 0.00 C ATOM 306 O GLY X 23 28.410 5.973 11.017 1.00 0.00 O ATOM 0 H GLY X 23 25.486 5.610 12.426 1.00 0.00 H new ATOM 0 HA2 GLY X 23 25.803 4.265 10.622 1.00 0.00 H new ATOM 0 HA3 GLY X 23 25.715 5.650 9.551 1.00 0.00 H new ATOM 310 N PHE X 24 28.172 4.441 9.382 1.00 0.00 N ATOM 311 CA PHE X 24 29.606 4.341 9.138 1.00 0.00 C ATOM 312 C PHE X 24 29.876 4.012 7.674 1.00 0.00 C ATOM 313 O PHE X 24 29.001 3.510 6.969 1.00 0.00 O ATOM 314 CB PHE X 24 30.208 3.257 10.038 1.00 0.00 C ATOM 315 CG PHE X 24 29.669 1.906 9.637 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.446 1.041 8.856 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.384 1.520 10.038 1.00 0.00 C ATOM 318 CE1 PHE X 24 29.938 -0.206 8.478 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.876 0.272 9.661 1.00 0.00 C ATOM 320 CZ PHE X 24 28.654 -0.592 8.881 1.00 0.00 C ATOM 0 H PHE X 24 27.596 3.845 8.787 1.00 0.00 H new ATOM 0 HA PHE X 24 30.070 5.300 9.369 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.295 3.265 9.956 1.00 0.00 H new ATOM 0 HB3 PHE X 24 29.966 3.461 11.081 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.437 1.337 8.546 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.784 2.187 10.639 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.537 -0.872 7.875 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.885 -0.024 9.971 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.264 -1.556 8.590 1.00 0.00 H new ATOM 330 N TYR X 25 31.091 4.303 7.223 1.00 0.00 N ATOM 331 CA TYR X 25 31.461 4.035 5.838 1.00 0.00 C ATOM 332 C TYR X 25 32.797 3.306 5.765 1.00 0.00 C ATOM 333 O TYR X 25 33.018 2.493 4.867 1.00 0.00 O ATOM 334 CB TYR X 25 31.555 5.351 5.065 1.00 0.00 C ATOM 335 CG TYR X 25 32.602 6.237 5.702 1.00 0.00 C ATOM 336 CD1 TYR X 25 33.929 6.186 5.257 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.243 7.106 6.738 1.00 0.00 C ATOM 338 CE1 TYR X 25 34.897 7.005 5.851 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.212 7.924 7.330 1.00 0.00 C ATOM 340 CZ TYR X 25 34.539 7.875 6.888 1.00 0.00 C ATOM 341 OH TYR X 25 35.496 8.683 7.472 1.00 0.00 O ATOM 0 H TYR X 25 31.830 4.720 7.789 1.00 0.00 H new ATOM 0 HA TYR X 25 30.694 3.401 5.394 1.00 0.00 H new ATOM 0 HB2 TYR X 25 31.813 5.156 4.024 1.00 0.00 H new ATOM 0 HB3 TYR X 25 30.588 5.855 5.065 1.00 0.00 H new ATOM 0 HD1 TYR X 25 34.205 5.516 4.457 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.219 7.146 7.080 1.00 0.00 H new ATOM 0 HE1 TYR X 25 35.921 6.966 5.509 1.00 0.00 H new ATOM 0 HE2 TYR X 25 32.935 8.595 8.130 1.00 0.00 H new ATOM 0 HH TYR X 25 35.081 9.226 8.174 1.00 0.00 H new ATOM 613 N ILE X 44 42.640 -2.077 10.264 1.00 0.00 N ATOM 614 CA ILE X 44 41.589 -1.768 11.217 1.00 0.00 C ATOM 615 C ILE X 44 40.612 -2.937 11.343 1.00 0.00 C ATOM 616 O ILE X 44 40.264 -3.349 12.451 1.00 0.00 O ATOM 617 CB ILE X 44 40.838 -0.521 10.758 1.00 0.00 C ATOM 618 CG1 ILE X 44 41.741 0.709 10.902 1.00 0.00 C ATOM 619 CG2 ILE X 44 39.591 -0.340 11.603 1.00 0.00 C ATOM 620 CD1 ILE X 44 41.093 1.905 10.198 1.00 0.00 C ATOM 0 HA ILE X 44 42.043 -1.589 12.192 1.00 0.00 H new ATOM 0 HB ILE X 44 40.553 -0.636 9.712 1.00 0.00 H new ATOM 0 HG12 ILE X 44 41.899 0.936 11.956 1.00 0.00 H new ATOM 0 HG13 ILE X 44 42.721 0.506 10.470 1.00 0.00 H new ATOM 0 HG21 ILE X 44 39.055 0.551 11.275 1.00 0.00 H new ATOM 0 HG22 ILE X 44 38.947 -1.212 11.493 1.00 0.00 H new ATOM 0 HG23 ILE X 44 39.874 -0.228 12.650 1.00 0.00 H new ATOM 0 HD11 ILE X 44 41.735 2.780 10.301 1.00 0.00 H new ATOM 0 HD12 ILE X 44 40.958 1.676 9.141 1.00 0.00 H new ATOM 0 HD13 ILE X 44 40.123 2.112 10.651 1.00 0.00 H new ATOM 632 N VAL X 45 40.180 -3.465 10.203 1.00 0.00 N ATOM 633 CA VAL X 45 39.251 -4.588 10.196 1.00 0.00 C ATOM 634 C VAL X 45 39.872 -5.805 10.860 1.00 0.00 C ATOM 635 O VAL X 45 39.239 -6.468 11.675 1.00 0.00 O ATOM 636 CB VAL X 45 38.859 -4.938 8.763 1.00 0.00 C ATOM 637 CG1 VAL X 45 38.106 -6.273 8.754 1.00 0.00 C ATOM 638 CG2 VAL X 45 37.953 -3.836 8.210 1.00 0.00 C ATOM 0 H VAL X 45 40.456 -3.136 9.278 1.00 0.00 H new ATOM 0 HA VAL X 45 38.362 -4.295 10.755 1.00 0.00 H new ATOM 0 HB VAL X 45 39.753 -5.023 8.145 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.825 -6.525 7.732 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.748 -7.056 9.157 1.00 0.00 H new ATOM 0 HG13 VAL X 45 37.208 -6.189 9.367 1.00 0.00 H new ATOM 0 HG21 VAL X 45 37.668 -4.079 7.186 1.00 0.00 H new ATOM 0 HG22 VAL X 45 37.058 -3.758 8.827 1.00 0.00 H new ATOM 0 HG23 VAL X 45 38.487 -2.886 8.223 1.00 0.00 H new ATOM 648 N ASP X 46 41.114 -6.089 10.500 1.00 0.00 N ATOM 649 CA ASP X 46 41.817 -7.229 11.064 1.00 0.00 C ATOM 650 C ASP X 46 41.990 -7.061 12.565 1.00 0.00 C ATOM 651 O ASP X 46 41.935 -8.035 13.308 1.00 0.00 O ATOM 652 CB ASP X 46 43.184 -7.393 10.398 1.00 0.00 C ATOM 653 CG ASP X 46 43.011 -7.896 8.970 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.917 -8.326 8.643 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.974 -7.848 8.224 1.00 0.00 O ATOM 0 H ASP X 46 41.653 -5.549 9.823 1.00 0.00 H new ATOM 0 HA ASP X 46 41.222 -8.123 10.878 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.713 -6.440 10.395 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.794 -8.094 10.968 1.00 0.00 H new ATOM 660 N GLU X 47 42.236 -5.833 13.009 1.00 0.00 N ATOM 661 CA GLU X 47 42.445 -5.595 14.431 1.00 0.00 C ATOM 662 C GLU X 47 41.212 -5.996 15.236 1.00 0.00 C ATOM 663 O GLU X 47 41.321 -6.739 16.206 1.00 0.00 O ATOM 664 CB GLU X 47 42.727 -4.109 14.650 1.00 0.00 C ATOM 665 CG GLU X 47 42.937 -3.830 16.139 1.00 0.00 C ATOM 666 CD GLU X 47 44.139 -4.616 16.648 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.971 -4.979 15.832 1.00 0.00 O ATOM 668 OE2 GLU X 47 44.207 -4.850 17.842 1.00 0.00 O ATOM 0 H GLU X 47 42.295 -5.003 12.419 1.00 0.00 H new ATOM 0 HA GLU X 47 43.290 -6.197 14.767 1.00 0.00 H new ATOM 0 HB2 GLU X 47 43.612 -3.812 14.088 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.895 -3.513 14.274 1.00 0.00 H new ATOM 0 HG2 GLU X 47 43.094 -2.763 16.300 1.00 0.00 H new ATOM 0 HG3 GLU X 47 42.045 -4.109 16.700 1.00 0.00 H new ATOM 675 N CYS X 48 40.043 -5.495 14.837 1.00 0.00 N ATOM 676 CA CYS X 48 38.810 -5.816 15.548 1.00 0.00 C ATOM 677 C CYS X 48 38.395 -7.261 15.292 1.00 0.00 C ATOM 678 O CYS X 48 37.917 -7.950 16.192 1.00 0.00 O ATOM 679 CB CYS X 48 37.688 -4.881 15.102 1.00 0.00 C ATOM 680 SG CYS X 48 38.055 -3.199 15.676 1.00 0.00 S ATOM 0 H CYS X 48 39.926 -4.874 14.036 1.00 0.00 H new ATOM 0 HA CYS X 48 38.992 -5.686 16.615 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.595 -4.896 14.016 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.734 -5.217 15.508 1.00 0.00 H new ATOM 685 N CYS X 49 38.558 -7.697 14.047 1.00 0.00 N ATOM 686 CA CYS X 49 38.178 -9.051 13.657 1.00 0.00 C ATOM 687 C CYS X 49 38.964 -10.090 14.444 1.00 0.00 C ATOM 688 O CYS X 49 38.389 -11.030 14.994 1.00 0.00 O ATOM 689 CB CYS X 49 38.425 -9.251 12.154 1.00 0.00 C ATOM 690 SG CYS X 49 37.966 -10.939 11.658 1.00 0.00 S ATOM 0 H CYS X 49 38.950 -7.134 13.292 1.00 0.00 H new ATOM 0 HA CYS X 49 37.118 -9.181 13.876 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.844 -8.526 11.584 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.475 -9.070 11.924 1.00 0.00 H new ATOM 695 N PHE X 50 40.279 -9.919 14.490 1.00 0.00 N ATOM 696 CA PHE X 50 41.127 -10.858 15.208 1.00 0.00 C ATOM 697 C PHE X 50 41.227 -10.469 16.678 1.00 0.00 C ATOM 698 O PHE X 50 40.736 -11.177 17.555 1.00 0.00 O ATOM 699 CB PHE X 50 42.520 -10.868 14.574 1.00 0.00 C ATOM 700 CG PHE X 50 42.463 -11.596 13.254 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.032 -10.914 12.109 1.00 0.00 C ATOM 702 CD2 PHE X 50 42.844 -12.940 13.165 1.00 0.00 C ATOM 703 CE1 PHE X 50 41.981 -11.572 10.877 1.00 0.00 C ATOM 704 CE2 PHE X 50 42.794 -13.603 11.931 1.00 0.00 C ATOM 705 CZ PHE X 50 42.362 -12.918 10.786 1.00 0.00 C ATOM 0 H PHE X 50 40.776 -9.148 14.044 1.00 0.00 H new ATOM 0 HA PHE X 50 40.689 -11.854 15.145 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.871 -9.847 14.424 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.232 -11.355 15.240 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.738 -9.877 12.178 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.177 -13.466 14.047 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.648 -11.044 9.996 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.088 -14.640 11.862 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.323 -13.427 9.834 1.00 0.00 H new ATOM 715 N ARG X 51 41.872 -9.332 16.933 1.00 0.00 N ATOM 716 CA ARG X 51 42.041 -8.845 18.298 1.00 0.00 C ATOM 717 C ARG X 51 40.777 -8.138 18.778 1.00 0.00 C ATOM 718 O ARG X 51 39.922 -7.759 17.979 1.00 0.00 O ATOM 719 CB ARG X 51 43.225 -7.877 18.366 1.00 0.00 C ATOM 720 CG ARG X 51 44.506 -8.617 17.977 1.00 0.00 C ATOM 721 CD ARG X 51 45.684 -7.642 18.002 1.00 0.00 C ATOM 722 NE ARG X 51 45.947 -7.193 19.368 1.00 0.00 N ATOM 723 CZ ARG X 51 46.843 -6.240 19.629 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.520 -5.674 18.663 1.00 0.00 N ATOM 725 NH2 ARG X 51 47.048 -5.869 20.863 1.00 0.00 N ATOM 0 H ARG X 51 42.284 -8.735 16.216 1.00 0.00 H new ATOM 0 HA ARG X 51 42.233 -9.701 18.945 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.060 -7.035 17.694 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.318 -7.469 19.372 1.00 0.00 H new ATOM 0 HG2 ARG X 51 44.687 -9.441 18.667 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.400 -9.051 16.983 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.572 -8.125 17.594 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.467 -6.784 17.366 1.00 0.00 H new ATOM 0 HE ARG X 51 45.433 -7.618 20.140 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.366 -5.960 17.696 1.00 0.00 H new ATOM 0 HH12 ARG X 51 48.202 -4.946 18.877 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.525 -6.307 21.621 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.732 -5.141 21.070 1.00 0.00 H new ATOM 739 N SER X 52 40.661 -7.966 20.088 1.00 0.00 N ATOM 740 CA SER X 52 39.494 -7.300 20.649 1.00 0.00 C ATOM 741 C SER X 52 39.756 -5.803 20.783 1.00 0.00 C ATOM 742 O SER X 52 40.171 -5.329 21.841 1.00 0.00 O ATOM 743 CB SER X 52 39.167 -7.890 22.020 1.00 0.00 C ATOM 744 OG SER X 52 38.765 -9.244 21.864 1.00 0.00 O ATOM 0 H SER X 52 41.351 -8.274 20.774 1.00 0.00 H new ATOM 0 HA SER X 52 38.647 -7.454 19.980 1.00 0.00 H new ATOM 0 HB2 SER X 52 40.039 -7.830 22.672 1.00 0.00 H new ATOM 0 HB3 SER X 52 38.373 -7.315 22.496 1.00 0.00 H new ATOM 0 HG SER X 52 38.556 -9.626 22.742 1.00 0.00 H new ATOM 750 N CYS X 53 39.510 -5.065 19.705 1.00 0.00 N ATOM 751 CA CYS X 53 39.724 -3.623 19.716 1.00 0.00 C ATOM 752 C CYS X 53 38.727 -2.944 20.651 1.00 0.00 C ATOM 753 O CYS X 53 37.616 -3.434 20.850 1.00 0.00 O ATOM 754 CB CYS X 53 39.583 -3.062 18.296 1.00 0.00 C ATOM 755 SG CYS X 53 37.897 -3.329 17.691 1.00 0.00 S ATOM 0 H CYS X 53 39.165 -5.438 18.820 1.00 0.00 H new ATOM 0 HA CYS X 53 40.732 -3.421 20.079 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.816 -1.997 18.292 1.00 0.00 H new ATOM 0 HB3 CYS X 53 40.298 -3.547 17.632 1.00 0.00 H new ATOM 760 N ASP X 54 39.134 -1.819 21.230 1.00 0.00 N ATOM 761 CA ASP X 54 38.268 -1.091 22.150 1.00 0.00 C ATOM 762 C ASP X 54 37.005 -0.622 21.436 1.00 0.00 C ATOM 763 O ASP X 54 37.057 -0.163 20.295 1.00 0.00 O ATOM 764 CB ASP X 54 39.014 0.119 22.718 1.00 0.00 C ATOM 765 CG ASP X 54 40.104 -0.343 23.680 1.00 0.00 C ATOM 766 OD1 ASP X 54 40.082 -1.503 24.059 1.00 0.00 O ATOM 767 OD2 ASP X 54 40.947 0.469 24.022 1.00 0.00 O ATOM 0 H ASP X 54 40.049 -1.395 21.080 1.00 0.00 H new ATOM 0 HA ASP X 54 37.986 -1.760 22.963 1.00 0.00 H new ATOM 0 HB2 ASP X 54 39.455 0.698 21.907 1.00 0.00 H new ATOM 0 HB3 ASP X 54 38.316 0.777 23.236 1.00 0.00 H new ATOM 772 N LEU X 55 35.872 -0.731 22.120 1.00 0.00 N ATOM 773 CA LEU X 55 34.600 -0.308 21.547 1.00 0.00 C ATOM 774 C LEU X 55 34.608 1.194 21.285 1.00 0.00 C ATOM 775 O LEU X 55 34.089 1.662 20.273 1.00 0.00 O ATOM 776 CB LEU X 55 33.458 -0.657 22.504 1.00 0.00 C ATOM 777 CG LEU X 55 33.262 -2.174 22.539 1.00 0.00 C ATOM 778 CD1 LEU X 55 32.335 -2.540 23.699 1.00 0.00 C ATOM 779 CD2 LEU X 55 32.634 -2.641 21.221 1.00 0.00 C ATOM 0 H LEU X 55 35.808 -1.106 23.066 1.00 0.00 H new ATOM 0 HA LEU X 55 34.453 -0.830 20.601 1.00 0.00 H new ATOM 0 HB2 LEU X 55 33.682 -0.286 23.504 1.00 0.00 H new ATOM 0 HB3 LEU X 55 32.538 -0.169 22.182 1.00 0.00 H new ATOM 0 HG LEU X 55 34.228 -2.661 22.674 1.00 0.00 H new ATOM 0 HD11 LEU X 55 32.194 -3.621 23.725 1.00 0.00 H new ATOM 0 HD12 LEU X 55 32.779 -2.209 24.638 1.00 0.00 H new ATOM 0 HD13 LEU X 55 31.370 -2.052 23.562 1.00 0.00 H new ATOM 0 HD21 LEU X 55 32.495 -3.722 21.247 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.668 -2.154 21.085 1.00 0.00 H new ATOM 0 HD23 LEU X 55 33.292 -2.380 20.392 1.00 0.00 H new ATOM 791 N ARG X 56 35.198 1.945 22.207 1.00 0.00 N ATOM 792 CA ARG X 56 35.263 3.392 22.064 1.00 0.00 C ATOM 793 C ARG X 56 36.013 3.772 20.791 1.00 0.00 C ATOM 794 O ARG X 56 35.573 4.641 20.039 1.00 0.00 O ATOM 795 CB ARG X 56 35.964 4.007 23.276 1.00 0.00 C ATOM 796 CG ARG X 56 36.000 5.527 23.128 1.00 0.00 C ATOM 797 CD ARG X 56 36.600 6.150 24.387 1.00 0.00 C ATOM 798 NE ARG X 56 35.706 5.968 25.528 1.00 0.00 N ATOM 799 CZ ARG X 56 36.055 6.356 26.756 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.220 6.914 26.978 1.00 0.00 N ATOM 801 NH2 ARG X 56 35.228 6.180 27.749 1.00 0.00 N ATOM 0 H ARG X 56 35.634 1.580 23.054 1.00 0.00 H new ATOM 0 HA ARG X 56 34.245 3.777 22.001 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.439 3.733 24.191 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.978 3.615 23.361 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.592 5.804 22.256 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.993 5.911 22.965 1.00 0.00 H new ATOM 0 HD2 ARG X 56 37.567 5.694 24.600 1.00 0.00 H new ATOM 0 HD3 ARG X 56 36.778 7.213 24.224 1.00 0.00 H new ATOM 0 HE ARG X 56 34.794 5.534 25.383 1.00 0.00 H new ATOM 0 HH11 ARG X 56 37.873 7.056 26.207 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.474 7.206 27.922 1.00 0.00 H new ATOM 0 HH21 ARG X 56 34.319 5.747 27.585 1.00 0.00 H new ATOM 0 HH22 ARG X 56 35.490 6.475 28.690 1.00 0.00 H new ATOM 815 N ARG X 57 37.144 3.115 20.546 1.00 0.00 N ATOM 816 CA ARG X 57 37.932 3.394 19.364 1.00 0.00 C ATOM 817 C ARG X 57 37.129 3.101 18.104 1.00 0.00 C ATOM 818 O ARG X 57 37.198 3.842 17.122 1.00 0.00 O ATOM 819 CB ARG X 57 39.195 2.543 19.387 1.00 0.00 C ATOM 820 CG ARG X 57 40.121 3.004 18.275 1.00 0.00 C ATOM 821 CD ARG X 57 41.489 2.355 18.457 1.00 0.00 C ATOM 822 NE ARG X 57 41.433 0.930 18.151 1.00 0.00 N ATOM 823 CZ ARG X 57 42.509 0.147 18.275 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.654 0.638 18.680 1.00 0.00 N ATOM 825 NH2 ARG X 57 42.421 -1.122 17.988 1.00 0.00 N ATOM 0 H ARG X 57 37.528 2.390 21.152 1.00 0.00 H new ATOM 0 HA ARG X 57 38.203 4.450 19.360 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.692 2.633 20.353 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.943 1.491 19.255 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.704 2.735 17.304 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.216 4.090 18.292 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.217 2.842 17.808 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.830 2.498 19.482 1.00 0.00 H new ATOM 0 HE ARG X 57 40.553 0.522 17.835 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.733 1.630 18.905 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.467 0.029 18.770 1.00 0.00 H new ATOM 0 HH21 ARG X 57 41.534 -1.513 17.671 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.239 -1.724 18.081 1.00 0.00 H new ATOM 839 N LEU X 58 36.369 2.014 18.140 1.00 0.00 N ATOM 840 CA LEU X 58 35.551 1.621 17.002 1.00 0.00 C ATOM 841 C LEU X 58 34.558 2.728 16.663 1.00 0.00 C ATOM 842 O LEU X 58 34.246 2.956 15.507 1.00 0.00 O ATOM 843 CB LEU X 58 34.784 0.336 17.317 1.00 0.00 C ATOM 844 CG LEU X 58 34.181 -0.223 16.024 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.223 -1.067 15.275 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.969 -1.088 16.359 1.00 0.00 C ATOM 0 H LEU X 58 36.303 1.390 18.944 1.00 0.00 H new ATOM 0 HA LEU X 58 36.208 1.448 16.150 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.451 -0.398 17.768 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.996 0.538 18.042 1.00 0.00 H new ATOM 0 HG LEU X 58 33.874 0.607 15.388 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.783 -1.459 14.358 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.084 -0.446 15.028 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.542 -1.896 15.907 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.540 -1.485 15.439 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.277 -1.913 17.002 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.223 -0.484 16.876 1.00 0.00 H new ATOM 858 N ASP X 59 34.053 3.411 17.679 1.00 0.00 N ATOM 859 CA ASP X 59 33.086 4.481 17.458 1.00 0.00 C ATOM 860 C ASP X 59 33.665 5.549 16.532 1.00 0.00 C ATOM 861 O ASP X 59 32.955 6.113 15.700 1.00 0.00 O ATOM 862 CB ASP X 59 32.704 5.118 18.794 1.00 0.00 C ATOM 863 CG ASP X 59 31.548 6.094 18.602 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.202 6.362 17.465 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.026 6.561 19.600 1.00 0.00 O ATOM 0 H ASP X 59 34.292 3.248 18.657 1.00 0.00 H new ATOM 0 HA ASP X 59 32.200 4.053 16.989 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.421 4.343 19.506 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.563 5.640 19.215 1.00 0.00 H new ATOM 870 N MET X 60 34.956 5.822 16.675 1.00 0.00 N ATOM 871 CA MET X 60 35.609 6.829 15.844 1.00 0.00 C ATOM 872 C MET X 60 35.570 6.433 14.365 1.00 0.00 C ATOM 873 O MET X 60 35.841 7.256 13.490 1.00 0.00 O ATOM 874 CB MET X 60 37.065 7.007 16.283 1.00 0.00 C ATOM 875 CG MET X 60 37.102 7.701 17.648 1.00 0.00 C ATOM 876 SD MET X 60 38.801 8.191 18.049 1.00 0.00 S ATOM 877 CE MET X 60 39.430 6.556 18.491 1.00 0.00 C ATOM 0 H MET X 60 35.568 5.366 17.352 1.00 0.00 H new ATOM 0 HA MET X 60 35.069 7.768 15.968 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.560 6.038 16.342 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.609 7.599 15.547 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.455 8.578 17.637 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.717 7.031 18.417 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.504 6.518 18.310 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.233 6.363 19.545 1.00 0.00 H new ATOM 0 HE3 MET X 60 38.933 5.799 17.884 1.00 0.00 H new ATOM 887 N TYR X 61 35.231 5.176 14.090 1.00 0.00 N ATOM 888 CA TYR X 61 35.164 4.694 12.710 1.00 0.00 C ATOM 889 C TYR X 61 33.930 5.247 12.009 1.00 0.00 C ATOM 890 O TYR X 61 33.890 5.356 10.784 1.00 0.00 O ATOM 891 CB TYR X 61 35.140 3.159 12.708 1.00 0.00 C ATOM 892 CG TYR X 61 36.461 2.606 13.227 1.00 0.00 C ATOM 893 CD1 TYR X 61 37.530 3.459 13.569 1.00 0.00 C ATOM 894 CD2 TYR X 61 36.605 1.225 13.396 1.00 0.00 C ATOM 895 CE1 TYR X 61 38.723 2.929 14.064 1.00 0.00 C ATOM 896 CE2 TYR X 61 37.802 0.699 13.893 1.00 0.00 C ATOM 897 CZ TYR X 61 38.859 1.550 14.226 1.00 0.00 C ATOM 898 OH TYR X 61 40.042 1.030 14.705 1.00 0.00 O ATOM 0 H TYR X 61 35.000 4.477 14.796 1.00 0.00 H new ATOM 0 HA TYR X 61 36.043 5.041 12.167 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.319 2.801 13.330 1.00 0.00 H new ATOM 0 HB3 TYR X 61 34.957 2.793 11.698 1.00 0.00 H new ATOM 0 HD1 TYR X 61 37.426 4.527 13.448 1.00 0.00 H new ATOM 0 HD2 TYR X 61 35.790 0.563 13.142 1.00 0.00 H new ATOM 0 HE1 TYR X 61 39.540 3.586 14.321 1.00 0.00 H new ATOM 0 HE2 TYR X 61 37.910 -0.368 14.020 1.00 0.00 H new ATOM 0 HH TYR X 61 39.904 0.099 14.977 1.00 0.00 H new ATOM 908 N CYS X 62 32.920 5.590 12.801 1.00 0.00 N ATOM 909 CA CYS X 62 31.685 6.128 12.255 1.00 0.00 C ATOM 910 C CYS X 62 31.935 7.496 11.636 1.00 0.00 C ATOM 911 O CYS X 62 33.014 8.069 11.789 1.00 0.00 O ATOM 912 CB CYS X 62 30.639 6.249 13.360 1.00 0.00 C ATOM 913 SG CYS X 62 30.377 4.624 14.108 1.00 0.00 S ATOM 0 H CYS X 62 32.934 5.505 13.817 1.00 0.00 H new ATOM 0 HA CYS X 62 31.319 5.451 11.483 1.00 0.00 H new ATOM 0 HB2 CYS X 62 30.971 6.961 14.115 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.703 6.630 12.952 1.00 0.00 H new ATOM 918 N ALA X 63 30.942 8.009 10.921 1.00 0.00 N ATOM 919 CA ALA X 63 31.074 9.299 10.274 1.00 0.00 C ATOM 920 C ALA X 63 31.078 10.429 11.306 1.00 0.00 C ATOM 921 O ALA X 63 30.532 10.282 12.400 1.00 0.00 O ATOM 922 CB ALA X 63 29.921 9.507 9.292 1.00 0.00 C ATOM 0 H ALA X 63 30.042 7.551 10.777 1.00 0.00 H new ATOM 0 HA ALA X 63 32.022 9.317 9.736 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.025 10.478 8.809 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.941 8.722 8.536 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.974 9.469 9.830 1.00 0.00 H new