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 -122:sc= -0.0693 (180deg=-0.545) USER MOD Single : X 61 TYR OH : rot 180:sc= -0.701 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 33.990 -10.447 16.128 1.00 0.00 N ATOM 61 CA LEU X 6 33.062 -9.900 15.145 1.00 0.00 C ATOM 62 C LEU X 6 33.753 -9.749 13.792 1.00 0.00 C ATOM 63 O LEU X 6 34.568 -8.848 13.598 1.00 0.00 O ATOM 64 CB LEU X 6 32.563 -8.533 15.618 1.00 0.00 C ATOM 65 CG LEU X 6 31.968 -8.664 17.023 1.00 0.00 C ATOM 66 CD1 LEU X 6 31.536 -7.285 17.525 1.00 0.00 C ATOM 67 CD2 LEU X 6 30.752 -9.593 16.980 1.00 0.00 C ATOM 0 HA LEU X 6 32.219 -10.582 15.038 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.385 -7.817 15.625 1.00 0.00 H new ATOM 0 HB3 LEU X 6 31.812 -8.150 14.928 1.00 0.00 H new ATOM 0 HG LEU X 6 32.718 -9.078 17.696 1.00 0.00 H new ATOM 0 HD11 LEU X 6 31.112 -7.378 18.525 1.00 0.00 H new ATOM 0 HD12 LEU X 6 32.401 -6.622 17.557 1.00 0.00 H new ATOM 0 HD13 LEU X 6 30.786 -6.871 16.851 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.329 -9.686 17.980 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.002 -9.179 16.306 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.058 -10.576 16.623 1.00 0.00 H new ATOM 79 N CYS X 7 33.422 -10.638 12.861 1.00 0.00 N ATOM 80 CA CYS X 7 34.015 -10.591 11.531 1.00 0.00 C ATOM 81 C CYS X 7 32.937 -10.704 10.458 1.00 0.00 C ATOM 82 O CYS X 7 31.857 -11.241 10.706 1.00 0.00 O ATOM 83 CB CYS X 7 35.016 -11.735 11.369 1.00 0.00 C ATOM 84 SG CYS X 7 36.313 -11.589 12.622 1.00 0.00 S ATOM 0 H CYS X 7 32.752 -11.394 13.002 1.00 0.00 H new ATOM 0 HA CYS X 7 34.528 -9.636 11.416 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.507 -12.694 11.468 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.455 -11.709 10.372 1.00 0.00 H new ATOM 89 N GLY X 8 33.241 -10.208 9.263 1.00 0.00 N ATOM 90 CA GLY X 8 32.291 -10.273 8.160 1.00 0.00 C ATOM 91 C GLY X 8 31.000 -9.544 8.509 1.00 0.00 C ATOM 92 O GLY X 8 31.013 -8.362 8.856 1.00 0.00 O ATOM 0 H GLY X 8 34.129 -9.761 9.035 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.733 -9.830 7.268 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.073 -11.315 7.924 1.00 0.00 H new ATOM 96 N ALA X 9 29.884 -10.257 8.407 1.00 0.00 N ATOM 97 CA ALA X 9 28.583 -9.674 8.711 1.00 0.00 C ATOM 98 C ALA X 9 28.526 -9.207 10.160 1.00 0.00 C ATOM 99 O ALA X 9 27.918 -8.186 10.462 1.00 0.00 O ATOM 100 CB ALA X 9 27.472 -10.694 8.470 1.00 0.00 C ATOM 0 H ALA X 9 29.854 -11.235 8.118 1.00 0.00 H new ATOM 0 HA ALA X 9 28.439 -8.817 8.053 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.507 -10.243 8.702 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.485 -11.006 7.426 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.630 -11.562 9.110 1.00 0.00 H new ATOM 106 N GLU X 10 29.147 -9.970 11.055 1.00 0.00 N ATOM 107 CA GLU X 10 29.136 -9.620 12.470 1.00 0.00 C ATOM 108 C GLU X 10 29.766 -8.251 12.690 1.00 0.00 C ATOM 109 O GLU X 10 29.239 -7.433 13.444 1.00 0.00 O ATOM 110 CB GLU X 10 29.916 -10.673 13.265 1.00 0.00 C ATOM 111 CG GLU X 10 29.122 -11.978 13.307 1.00 0.00 C ATOM 112 CD GLU X 10 29.979 -13.091 13.901 1.00 0.00 C ATOM 113 OE1 GLU X 10 31.178 -12.898 14.005 1.00 0.00 O ATOM 114 OE2 GLU X 10 29.422 -14.121 14.245 1.00 0.00 O ATOM 0 H GLU X 10 29.658 -10.824 10.829 1.00 0.00 H new ATOM 0 HA GLU X 10 28.102 -9.589 12.812 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.889 -10.843 12.805 1.00 0.00 H new ATOM 0 HB3 GLU X 10 30.100 -10.315 14.278 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.219 -11.845 13.903 1.00 0.00 H new ATOM 0 HG3 GLU X 10 28.802 -12.251 12.301 1.00 0.00 H new ATOM 121 N LEU X 11 30.883 -7.999 12.021 1.00 0.00 N ATOM 122 CA LEU X 11 31.555 -6.713 12.151 1.00 0.00 C ATOM 123 C LEU X 11 30.677 -5.585 11.622 1.00 0.00 C ATOM 124 O LEU X 11 30.516 -4.554 12.272 1.00 0.00 O ATOM 125 CB LEU X 11 32.881 -6.736 11.387 1.00 0.00 C ATOM 126 CG LEU X 11 33.537 -5.351 11.442 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.804 -4.961 12.896 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.861 -5.391 10.679 1.00 0.00 C ATOM 0 H LEU X 11 31.339 -8.659 11.390 1.00 0.00 H new ATOM 0 HA LEU X 11 31.748 -6.535 13.209 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.548 -7.482 11.820 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.709 -7.026 10.350 1.00 0.00 H new ATOM 0 HG LEU X 11 32.870 -4.617 10.989 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.270 -3.976 12.929 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.862 -4.935 13.445 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.470 -5.693 13.353 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.332 -4.408 10.715 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.522 -6.127 11.136 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.675 -5.666 9.641 1.00 0.00 H new ATOM 140 N VAL X 12 30.115 -5.789 10.436 1.00 0.00 N ATOM 141 CA VAL X 12 29.261 -4.777 9.828 1.00 0.00 C ATOM 142 C VAL X 12 28.054 -4.481 10.711 1.00 0.00 C ATOM 143 O VAL X 12 27.707 -3.322 10.940 1.00 0.00 O ATOM 144 CB VAL X 12 28.795 -5.255 8.451 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.625 -4.389 7.976 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.948 -5.113 7.453 1.00 0.00 C ATOM 0 H VAL X 12 30.234 -6.637 9.882 1.00 0.00 H new ATOM 0 HA VAL X 12 29.838 -3.858 9.719 1.00 0.00 H new ATOM 0 HB VAL X 12 28.480 -6.296 8.518 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.294 -4.731 6.995 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.801 -4.470 8.685 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.946 -3.349 7.909 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.622 -5.452 6.470 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.252 -4.068 7.394 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.792 -5.718 7.784 1.00 0.00 H new ATOM 156 N ASP X 13 27.424 -5.538 11.203 1.00 0.00 N ATOM 157 CA ASP X 13 26.260 -5.388 12.063 1.00 0.00 C ATOM 158 C ASP X 13 26.632 -4.644 13.339 1.00 0.00 C ATOM 159 O ASP X 13 25.892 -3.773 13.798 1.00 0.00 O ATOM 160 CB ASP X 13 25.694 -6.768 12.411 1.00 0.00 C ATOM 161 CG ASP X 13 25.008 -7.381 11.197 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.755 -6.651 10.254 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.750 -8.572 11.228 1.00 0.00 O ATOM 0 H ASP X 13 27.698 -6.504 11.022 1.00 0.00 H new ATOM 0 HA ASP X 13 25.504 -4.810 11.532 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.497 -7.422 12.752 1.00 0.00 H new ATOM 0 HB3 ASP X 13 24.983 -6.680 13.233 1.00 0.00 H new ATOM 168 N ALA X 14 27.785 -4.986 13.905 1.00 0.00 N ATOM 169 CA ALA X 14 28.244 -4.337 15.125 1.00 0.00 C ATOM 170 C ALA X 14 28.481 -2.851 14.889 1.00 0.00 C ATOM 171 O ALA X 14 28.148 -2.018 15.731 1.00 0.00 O ATOM 172 CB ALA X 14 29.534 -4.990 15.617 1.00 0.00 C ATOM 0 H ALA X 14 28.413 -5.703 13.541 1.00 0.00 H new ATOM 0 HA ALA X 14 27.470 -4.453 15.883 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.867 -4.496 16.530 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.353 -6.045 15.821 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.304 -4.896 14.852 1.00 0.00 H new ATOM 178 N LEU X 15 29.061 -2.525 13.738 1.00 0.00 N ATOM 179 CA LEU X 15 29.338 -1.134 13.405 1.00 0.00 C ATOM 180 C LEU X 15 28.043 -0.334 13.333 1.00 0.00 C ATOM 181 O LEU X 15 27.968 0.785 13.839 1.00 0.00 O ATOM 182 CB LEU X 15 30.063 -1.061 12.056 1.00 0.00 C ATOM 183 CG LEU X 15 31.494 -1.582 12.208 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.103 -1.817 10.822 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.335 -0.544 12.957 1.00 0.00 C ATOM 0 H LEU X 15 29.346 -3.199 13.027 1.00 0.00 H new ATOM 0 HA LEU X 15 29.970 -0.708 14.184 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.528 -1.652 11.313 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.077 -0.032 11.695 1.00 0.00 H new ATOM 0 HG LEU X 15 31.481 -2.518 12.766 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.122 -2.188 10.931 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.505 -2.551 10.282 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.116 -0.879 10.266 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.355 -0.913 13.067 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.345 0.390 12.395 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.904 -0.370 13.943 1.00 0.00 H new ATOM 197 N GLN X 16 27.025 -0.919 12.711 1.00 0.00 N ATOM 198 CA GLN X 16 25.734 -0.255 12.593 1.00 0.00 C ATOM 199 C GLN X 16 25.103 -0.081 13.970 1.00 0.00 C ATOM 200 O GLN X 16 24.524 0.954 14.271 1.00 0.00 O ATOM 201 CB GLN X 16 24.803 -1.072 11.700 1.00 0.00 C ATOM 202 CG GLN X 16 23.505 -0.297 11.476 1.00 0.00 C ATOM 203 CD GLN X 16 22.589 -1.074 10.538 1.00 0.00 C ATOM 204 OE1 GLN X 16 22.966 -2.137 10.043 1.00 0.00 O ATOM 205 NE2 GLN X 16 21.403 -0.607 10.261 1.00 0.00 N ATOM 0 H GLN X 16 27.069 -1.844 12.284 1.00 0.00 H new ATOM 0 HA GLN X 16 25.888 0.727 12.146 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.286 -1.278 10.745 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.589 -2.035 12.164 1.00 0.00 H new ATOM 0 HG2 GLN X 16 23.004 -0.128 12.429 1.00 0.00 H new ATOM 0 HG3 GLN X 16 23.725 0.683 11.053 1.00 0.00 H new ATOM 0 HE21 GLN X 16 21.093 0.273 10.672 1.00 0.00 H new ATOM 0 HE22 GLN X 16 20.786 -1.122 9.633 1.00 0.00 H new ATOM 214 N PHE X 17 25.226 -1.104 14.804 1.00 0.00 N ATOM 215 CA PHE X 17 24.668 -1.050 16.150 1.00 0.00 C ATOM 216 C PHE X 17 25.271 0.102 16.949 1.00 0.00 C ATOM 217 O PHE X 17 24.554 0.870 17.587 1.00 0.00 O ATOM 218 CB PHE X 17 24.943 -2.366 16.879 1.00 0.00 C ATOM 219 CG PHE X 17 24.603 -2.215 18.342 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.282 -2.384 18.782 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.614 -1.898 19.261 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.973 -2.240 20.142 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.302 -1.755 20.620 1.00 0.00 C ATOM 224 CZ PHE X 17 23.983 -1.927 21.060 1.00 0.00 C ATOM 0 H PHE X 17 25.703 -1.976 14.576 1.00 0.00 H new ATOM 0 HA PHE X 17 23.593 -0.890 16.063 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.351 -3.168 16.439 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.991 -2.644 16.766 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.503 -2.625 18.074 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.631 -1.764 18.922 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.956 -2.370 20.482 1.00 0.00 H new ATOM 0 HE2 PHE X 17 26.080 -1.512 21.329 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.745 -1.818 22.108 1.00 0.00 H new ATOM 234 N VAL X 18 26.594 0.198 16.924 1.00 0.00 N ATOM 235 CA VAL X 18 27.288 1.241 17.665 1.00 0.00 C ATOM 236 C VAL X 18 26.926 2.619 17.118 1.00 0.00 C ATOM 237 O VAL X 18 26.640 3.543 17.879 1.00 0.00 O ATOM 238 CB VAL X 18 28.799 1.029 17.566 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.517 2.179 18.269 1.00 0.00 C ATOM 240 CG2 VAL X 18 29.179 -0.293 18.234 1.00 0.00 C ATOM 0 H VAL X 18 27.204 -0.430 16.402 1.00 0.00 H new ATOM 0 HA VAL X 18 26.981 1.188 18.709 1.00 0.00 H new ATOM 0 HB VAL X 18 29.093 0.999 16.517 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.595 2.031 18.200 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.249 3.121 17.792 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.221 2.206 19.318 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.257 -0.441 18.162 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.886 -0.268 19.284 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.666 -1.114 17.734 1.00 0.00 H new ATOM 250 N CYS X 19 26.941 2.748 15.794 1.00 0.00 N ATOM 251 CA CYS X 19 26.613 4.019 15.158 1.00 0.00 C ATOM 252 C CYS X 19 25.512 3.834 14.121 1.00 0.00 C ATOM 253 O CYS X 19 25.752 3.948 12.920 1.00 0.00 O ATOM 254 CB CYS X 19 27.856 4.603 14.489 1.00 0.00 C ATOM 255 SG CYS X 19 29.137 4.868 15.738 1.00 0.00 S ATOM 0 H CYS X 19 27.175 1.995 15.146 1.00 0.00 H new ATOM 0 HA CYS X 19 26.257 4.706 15.926 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.220 3.926 13.716 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.610 5.544 13.998 1.00 0.00 H new ATOM 260 N GLY X 20 24.307 3.544 14.594 1.00 0.00 N ATOM 261 CA GLY X 20 23.176 3.345 13.693 1.00 0.00 C ATOM 262 C GLY X 20 22.804 4.641 12.982 1.00 0.00 C ATOM 263 O GLY X 20 22.987 4.773 11.773 1.00 0.00 O ATOM 0 H GLY X 20 24.087 3.442 15.585 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.424 2.581 12.956 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.319 2.977 14.257 1.00 0.00 H new ATOM 267 N ASP X 21 22.282 5.597 13.744 1.00 0.00 N ATOM 268 CA ASP X 21 21.889 6.880 13.174 1.00 0.00 C ATOM 269 C ASP X 21 23.105 7.612 12.617 1.00 0.00 C ATOM 270 O ASP X 21 23.071 8.136 11.503 1.00 0.00 O ATOM 271 CB ASP X 21 21.219 7.743 14.245 1.00 0.00 C ATOM 272 CG ASP X 21 20.672 9.023 13.622 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.912 9.237 12.445 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.018 9.770 14.331 1.00 0.00 O ATOM 0 H ASP X 21 22.123 5.509 14.748 1.00 0.00 H new ATOM 0 HA ASP X 21 21.185 6.696 12.362 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.411 7.186 14.718 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.938 7.988 15.027 1.00 0.00 H new ATOM 279 N ARG X 22 24.180 7.645 13.400 1.00 0.00 N ATOM 280 CA ARG X 22 25.401 8.317 12.976 1.00 0.00 C ATOM 281 C ARG X 22 25.991 7.636 11.746 1.00 0.00 C ATOM 282 O ARG X 22 26.479 8.297 10.833 1.00 0.00 O ATOM 283 CB ARG X 22 26.427 8.302 14.110 1.00 0.00 C ATOM 284 CG ARG X 22 25.949 9.216 15.238 1.00 0.00 C ATOM 285 CD ARG X 22 26.923 9.134 16.410 1.00 0.00 C ATOM 286 NE ARG X 22 28.233 9.644 16.023 1.00 0.00 N ATOM 287 CZ ARG X 22 29.285 9.551 16.838 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.167 8.996 18.018 1.00 0.00 N ATOM 289 NH2 ARG X 22 30.443 10.021 16.459 1.00 0.00 N ATOM 0 H ARG X 22 24.229 7.217 14.325 1.00 0.00 H new ATOM 0 HA ARG X 22 25.154 9.348 12.722 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.560 7.286 14.482 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.397 8.636 13.742 1.00 0.00 H new ATOM 0 HG2 ARG X 22 25.878 10.244 14.882 1.00 0.00 H new ATOM 0 HG3 ARG X 22 24.950 8.921 15.560 1.00 0.00 H new ATOM 0 HD2 ARG X 22 26.537 9.709 17.252 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.013 8.100 16.744 1.00 0.00 H new ATOM 0 HE ARG X 22 28.348 10.082 15.109 1.00 0.00 H new ATOM 0 HH11 ARG X 22 28.265 8.630 18.321 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.977 8.930 18.634 1.00 0.00 H new ATOM 0 HH21 ARG X 22 30.541 10.458 15.542 1.00 0.00 H new ATOM 0 HH22 ARG X 22 31.249 9.952 17.080 1.00 0.00 H new ATOM 303 N GLY X 23 25.942 6.309 11.733 1.00 0.00 N ATOM 304 CA GLY X 23 26.474 5.545 10.611 1.00 0.00 C ATOM 305 C GLY X 23 27.983 5.370 10.742 1.00 0.00 C ATOM 306 O GLY X 23 28.606 5.932 11.643 1.00 0.00 O ATOM 0 H GLY X 23 25.542 5.743 12.481 1.00 0.00 H new ATOM 0 HA2 GLY X 23 25.992 4.568 10.569 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.242 6.055 9.676 1.00 0.00 H new ATOM 310 N PHE X 24 28.567 4.595 9.831 1.00 0.00 N ATOM 311 CA PHE X 24 30.006 4.358 9.856 1.00 0.00 C ATOM 312 C PHE X 24 30.546 4.189 8.442 1.00 0.00 C ATOM 313 O PHE X 24 29.802 3.868 7.517 1.00 0.00 O ATOM 314 CB PHE X 24 30.313 3.105 10.680 1.00 0.00 C ATOM 315 CG PHE X 24 29.740 1.892 9.989 1.00 0.00 C ATOM 316 CD1 PHE X 24 30.548 1.121 9.146 1.00 0.00 C ATOM 317 CD2 PHE X 24 28.399 1.546 10.184 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.013 0.002 8.499 1.00 0.00 C ATOM 319 CE2 PHE X 24 27.865 0.426 9.539 1.00 0.00 C ATOM 320 CZ PHE X 24 28.672 -0.346 8.696 1.00 0.00 C ATOM 0 H PHE X 24 28.071 4.125 9.074 1.00 0.00 H new ATOM 0 HA PHE X 24 30.491 5.220 10.314 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.390 2.992 10.801 1.00 0.00 H new ATOM 0 HB3 PHE X 24 29.888 3.201 11.679 1.00 0.00 H new ATOM 0 HD1 PHE X 24 31.583 1.389 8.995 1.00 0.00 H new ATOM 0 HD2 PHE X 24 27.776 2.144 10.833 1.00 0.00 H new ATOM 0 HE1 PHE X 24 30.635 -0.593 7.847 1.00 0.00 H new ATOM 0 HE2 PHE X 24 26.830 0.157 9.691 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.260 -1.211 8.197 1.00 0.00 H new ATOM 330 N TYR X 25 31.847 4.410 8.281 1.00 0.00 N ATOM 331 CA TYR X 25 32.473 4.280 6.971 1.00 0.00 C ATOM 332 C TYR X 25 33.957 3.957 7.116 1.00 0.00 C ATOM 333 O TYR X 25 34.537 4.135 8.187 1.00 0.00 O ATOM 334 CB TYR X 25 32.310 5.581 6.179 1.00 0.00 C ATOM 335 CG TYR X 25 33.158 6.664 6.803 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.474 6.854 6.367 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.631 7.476 7.814 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.265 7.852 6.940 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.423 8.478 8.389 1.00 0.00 C ATOM 340 CZ TYR X 25 34.740 8.666 7.952 1.00 0.00 C ATOM 341 OH TYR X 25 35.521 9.654 8.518 1.00 0.00 O ATOM 0 H TYR X 25 32.482 4.677 9.033 1.00 0.00 H new ATOM 0 HA TYR X 25 31.984 3.466 6.437 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.606 5.426 5.141 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.263 5.885 6.170 1.00 0.00 H new ATOM 0 HD1 TYR X 25 34.879 6.228 5.586 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.615 7.330 8.150 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.281 7.996 6.603 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.018 9.105 9.169 1.00 0.00 H new ATOM 0 HH TYR X 25 35.004 10.127 9.203 1.00 0.00 H new ATOM 613 N ILE X 44 41.405 -1.709 10.075 1.00 0.00 N ATOM 614 CA ILE X 44 40.406 -1.605 11.125 1.00 0.00 C ATOM 615 C ILE X 44 39.619 -2.904 11.247 1.00 0.00 C ATOM 616 O ILE X 44 39.384 -3.397 12.351 1.00 0.00 O ATOM 617 CB ILE X 44 39.454 -0.450 10.813 1.00 0.00 C ATOM 618 CG1 ILE X 44 40.198 0.879 10.957 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.279 -0.483 11.781 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.349 2.007 10.368 1.00 0.00 C ATOM 0 HA ILE X 44 40.911 -1.416 12.072 1.00 0.00 H new ATOM 0 HB ILE X 44 39.085 -0.550 9.792 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.408 1.078 12.008 1.00 0.00 H new ATOM 0 HG13 ILE X 44 41.159 0.827 10.445 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.601 0.341 11.558 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.748 -1.429 11.676 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.646 -0.384 12.803 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.880 2.954 10.471 1.00 0.00 H new ATOM 0 HD12 ILE X 44 39.162 1.809 9.313 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.399 2.064 10.900 1.00 0.00 H new ATOM 632 N VAL X 45 39.213 -3.451 10.104 1.00 0.00 N ATOM 633 CA VAL X 45 38.453 -4.695 10.093 1.00 0.00 C ATOM 634 C VAL X 45 39.261 -5.826 10.705 1.00 0.00 C ATOM 635 O VAL X 45 38.749 -6.594 11.515 1.00 0.00 O ATOM 636 CB VAL X 45 38.070 -5.064 8.659 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.529 -6.497 8.627 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.986 -4.102 8.161 1.00 0.00 C ATOM 0 H VAL X 45 39.396 -3.056 9.182 1.00 0.00 H new ATOM 0 HA VAL X 45 37.550 -4.546 10.686 1.00 0.00 H new ATOM 0 HB VAL X 45 38.948 -4.992 8.017 1.00 0.00 H new ATOM 0 HG11 VAL X 45 37.256 -6.760 7.605 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.296 -7.183 8.986 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.650 -6.568 9.267 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.710 -4.362 7.139 1.00 0.00 H new ATOM 0 HG22 VAL X 45 36.109 -4.178 8.804 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.367 -3.081 8.186 1.00 0.00 H new ATOM 648 N ASP X 46 40.521 -5.929 10.303 1.00 0.00 N ATOM 649 CA ASP X 46 41.390 -6.976 10.816 1.00 0.00 C ATOM 650 C ASP X 46 41.630 -6.806 12.309 1.00 0.00 C ATOM 651 O ASP X 46 41.699 -7.783 13.042 1.00 0.00 O ATOM 652 CB ASP X 46 42.731 -6.951 10.088 1.00 0.00 C ATOM 653 CG ASP X 46 42.554 -7.433 8.654 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.506 -7.985 8.359 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.469 -7.246 7.870 1.00 0.00 O ATOM 0 H ASP X 46 40.961 -5.304 9.627 1.00 0.00 H new ATOM 0 HA ASP X 46 40.895 -7.932 10.645 1.00 0.00 H new ATOM 0 HB2 ASP X 46 43.138 -5.940 10.093 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.448 -7.586 10.608 1.00 0.00 H new ATOM 660 N GLU X 47 41.794 -5.565 12.756 1.00 0.00 N ATOM 661 CA GLU X 47 42.062 -5.326 14.168 1.00 0.00 C ATOM 662 C GLU X 47 40.928 -5.857 15.034 1.00 0.00 C ATOM 663 O GLU X 47 41.166 -6.604 15.985 1.00 0.00 O ATOM 664 CB GLU X 47 42.211 -3.818 14.396 1.00 0.00 C ATOM 665 CG GLU X 47 42.475 -3.536 15.875 1.00 0.00 C ATOM 666 CD GLU X 47 43.776 -4.199 16.300 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.583 -4.476 15.431 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.945 -4.423 17.486 1.00 0.00 O ATOM 0 H GLU X 47 41.747 -4.727 12.176 1.00 0.00 H new ATOM 0 HA GLU X 47 42.979 -5.846 14.445 1.00 0.00 H new ATOM 0 HB2 GLU X 47 43.031 -3.430 13.791 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.306 -3.302 14.075 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.531 -2.461 16.046 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.650 -3.912 16.480 1.00 0.00 H new ATOM 675 N CYS X 48 39.696 -5.468 14.706 1.00 0.00 N ATOM 676 CA CYS X 48 38.535 -5.912 15.472 1.00 0.00 C ATOM 677 C CYS X 48 38.246 -7.385 15.214 1.00 0.00 C ATOM 678 O CYS X 48 37.904 -8.134 16.127 1.00 0.00 O ATOM 679 CB CYS X 48 37.311 -5.081 15.096 1.00 0.00 C ATOM 680 SG CYS X 48 37.563 -3.378 15.644 1.00 0.00 S ATOM 0 H CYS X 48 39.479 -4.852 13.922 1.00 0.00 H new ATOM 0 HA CYS X 48 38.756 -5.778 16.531 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.153 -5.110 14.018 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.417 -5.497 15.560 1.00 0.00 H new ATOM 685 N CYS X 49 38.375 -7.788 13.951 1.00 0.00 N ATOM 686 CA CYS X 49 38.107 -9.167 13.567 1.00 0.00 C ATOM 687 C CYS X 49 39.031 -10.124 14.305 1.00 0.00 C ATOM 688 O CYS X 49 38.586 -11.134 14.849 1.00 0.00 O ATOM 689 CB CYS X 49 38.290 -9.340 12.053 1.00 0.00 C ATOM 690 SG CYS X 49 37.959 -11.059 11.578 1.00 0.00 S ATOM 0 H CYS X 49 38.662 -7.181 13.183 1.00 0.00 H new ATOM 0 HA CYS X 49 37.077 -9.399 13.836 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.616 -8.671 11.518 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.305 -9.065 11.768 1.00 0.00 H new ATOM 695 N PHE X 50 40.319 -9.805 14.316 1.00 0.00 N ATOM 696 CA PHE X 50 41.294 -10.652 14.986 1.00 0.00 C ATOM 697 C PHE X 50 41.363 -10.310 16.473 1.00 0.00 C ATOM 698 O PHE X 50 40.887 -11.070 17.316 1.00 0.00 O ATOM 699 CB PHE X 50 42.669 -10.448 14.344 1.00 0.00 C ATOM 700 CG PHE X 50 42.710 -11.164 13.017 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.096 -10.585 11.898 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.368 -12.392 12.897 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.135 -11.234 10.660 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.409 -13.044 11.658 1.00 0.00 C ATOM 705 CZ PHE X 50 42.793 -12.465 10.539 1.00 0.00 C ATOM 0 H PHE X 50 40.709 -8.973 13.873 1.00 0.00 H new ATOM 0 HA PHE X 50 40.991 -11.694 14.882 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.863 -9.385 14.203 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.450 -10.830 15.001 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.591 -9.635 11.992 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.844 -12.837 13.758 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.659 -10.788 9.799 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.915 -13.993 11.564 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.826 -12.968 9.584 1.00 0.00 H new ATOM 715 N ARG X 51 41.956 -9.159 16.782 1.00 0.00 N ATOM 716 CA ARG X 51 42.082 -8.724 18.166 1.00 0.00 C ATOM 717 C ARG X 51 40.790 -8.081 18.654 1.00 0.00 C ATOM 718 O ARG X 51 39.934 -7.705 17.855 1.00 0.00 O ATOM 719 CB ARG X 51 43.237 -7.729 18.305 1.00 0.00 C ATOM 720 CG ARG X 51 44.566 -8.479 18.203 1.00 0.00 C ATOM 721 CD ARG X 51 45.712 -7.533 18.564 1.00 0.00 C ATOM 722 NE ARG X 51 45.896 -6.526 17.527 1.00 0.00 N ATOM 723 CZ ARG X 51 46.771 -5.529 17.675 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.489 -5.428 18.766 1.00 0.00 N ATOM 725 NH2 ARG X 51 46.918 -4.650 16.723 1.00 0.00 N ATOM 0 H ARG X 51 42.353 -8.517 16.096 1.00 0.00 H new ATOM 0 HA ARG X 51 42.287 -9.602 18.778 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.174 -6.970 17.525 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.172 -7.210 19.261 1.00 0.00 H new ATOM 0 HG2 ARG X 51 44.564 -9.338 18.874 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.702 -8.864 17.192 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.502 -7.047 19.517 1.00 0.00 H new ATOM 0 HD3 ARG X 51 46.633 -8.102 18.693 1.00 0.00 H new ATOM 0 HE ARG X 51 45.345 -6.584 16.671 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.382 -6.115 19.512 1.00 0.00 H new ATOM 0 HH12 ARG X 51 48.155 -4.662 18.869 1.00 0.00 H new ATOM 0 HH21 ARG X 51 46.365 -4.726 15.869 1.00 0.00 H new ATOM 0 HH22 ARG X 51 47.586 -3.887 16.832 1.00 0.00 H new ATOM 739 N SER X 52 40.651 -7.958 19.967 1.00 0.00 N ATOM 740 CA SER X 52 39.454 -7.354 20.536 1.00 0.00 C ATOM 741 C SER X 52 39.631 -5.844 20.662 1.00 0.00 C ATOM 742 O SER X 52 40.168 -5.353 21.655 1.00 0.00 O ATOM 743 CB SER X 52 39.175 -7.953 21.912 1.00 0.00 C ATOM 744 OG SER X 52 38.079 -7.271 22.508 1.00 0.00 O ATOM 0 H SER X 52 41.343 -8.264 20.651 1.00 0.00 H new ATOM 0 HA SER X 52 38.612 -7.558 19.874 1.00 0.00 H new ATOM 0 HB2 SER X 52 38.950 -9.016 21.820 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.059 -7.868 22.544 1.00 0.00 H new ATOM 0 HG SER X 52 37.896 -7.654 23.391 1.00 0.00 H new ATOM 750 N CYS X 53 39.172 -5.111 19.650 1.00 0.00 N ATOM 751 CA CYS X 53 39.284 -3.658 19.663 1.00 0.00 C ATOM 752 C CYS X 53 38.241 -3.050 20.593 1.00 0.00 C ATOM 753 O CYS X 53 37.139 -3.577 20.736 1.00 0.00 O ATOM 754 CB CYS X 53 39.098 -3.114 18.243 1.00 0.00 C ATOM 755 SG CYS X 53 37.424 -3.487 17.661 1.00 0.00 S ATOM 0 H CYS X 53 38.723 -5.496 18.819 1.00 0.00 H new ATOM 0 HA CYS X 53 40.274 -3.385 20.028 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.266 -2.037 18.231 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.834 -3.559 17.573 1.00 0.00 H new ATOM 760 N ASP X 54 38.596 -1.933 21.223 1.00 0.00 N ATOM 761 CA ASP X 54 37.678 -1.261 22.137 1.00 0.00 C ATOM 762 C ASP X 54 36.483 -0.693 21.380 1.00 0.00 C ATOM 763 O ASP X 54 36.626 -0.160 20.279 1.00 0.00 O ATOM 764 CB ASP X 54 38.407 -0.133 22.871 1.00 0.00 C ATOM 765 CG ASP X 54 39.377 -0.716 23.894 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.280 -1.901 24.162 1.00 0.00 O ATOM 767 OD2 ASP X 54 40.200 0.033 24.394 1.00 0.00 O ATOM 0 H ASP X 54 39.503 -1.478 21.119 1.00 0.00 H new ATOM 0 HA ASP X 54 37.316 -1.991 22.861 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.949 0.486 22.156 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.685 0.513 23.370 1.00 0.00 H new ATOM 772 N LEU X 55 35.302 -0.802 21.978 1.00 0.00 N ATOM 773 CA LEU X 55 34.091 -0.288 21.352 1.00 0.00 C ATOM 774 C LEU X 55 34.167 1.228 21.203 1.00 0.00 C ATOM 775 O LEU X 55 33.749 1.783 20.189 1.00 0.00 O ATOM 776 CB LEU X 55 32.872 -0.662 22.198 1.00 0.00 C ATOM 777 CG LEU X 55 32.625 -2.170 22.103 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.604 -2.586 23.164 1.00 0.00 C ATOM 779 CD2 LEU X 55 32.081 -2.512 20.710 1.00 0.00 C ATOM 0 H LEU X 55 35.158 -1.238 22.889 1.00 0.00 H new ATOM 0 HA LEU X 55 33.996 -0.732 20.361 1.00 0.00 H new ATOM 0 HB2 LEU X 55 33.035 -0.375 23.237 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.994 -0.117 21.851 1.00 0.00 H new ATOM 0 HG LEU X 55 33.561 -2.703 22.269 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.427 -3.659 23.098 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.989 -2.342 24.154 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.668 -2.053 22.997 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.905 -3.586 20.642 1.00 0.00 H new ATOM 0 HD22 LEU X 55 31.145 -1.979 20.544 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.807 -2.214 19.953 1.00 0.00 H new ATOM 791 N ARG X 56 34.702 1.893 22.221 1.00 0.00 N ATOM 792 CA ARG X 56 34.819 3.344 22.183 1.00 0.00 C ATOM 793 C ARG X 56 35.674 3.781 20.995 1.00 0.00 C ATOM 794 O ARG X 56 35.273 4.655 20.225 1.00 0.00 O ATOM 795 CB ARG X 56 35.455 3.845 23.481 1.00 0.00 C ATOM 796 CG ARG X 56 35.572 5.370 23.438 1.00 0.00 C ATOM 797 CD ARG X 56 36.071 5.878 24.788 1.00 0.00 C ATOM 798 NE ARG X 56 35.070 5.651 25.823 1.00 0.00 N ATOM 799 CZ ARG X 56 35.327 5.904 27.107 1.00 0.00 C ATOM 800 NH1 ARG X 56 36.497 6.364 27.476 1.00 0.00 N ATOM 801 NH2 ARG X 56 34.406 5.691 28.006 1.00 0.00 N ATOM 0 H ARG X 56 35.057 1.457 23.072 1.00 0.00 H new ATOM 0 HA ARG X 56 33.822 3.771 22.075 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.851 3.540 24.335 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.440 3.398 23.612 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.259 5.671 22.647 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.604 5.814 23.205 1.00 0.00 H new ATOM 0 HD2 ARG X 56 36.998 5.370 25.054 1.00 0.00 H new ATOM 0 HD3 ARG X 56 36.298 6.942 24.721 1.00 0.00 H new ATOM 0 HE ARG X 56 34.153 5.291 25.559 1.00 0.00 H new ATOM 0 HH11 ARG X 56 37.222 6.532 26.778 1.00 0.00 H new ATOM 0 HH12 ARG X 56 36.683 6.554 28.461 1.00 0.00 H new ATOM 0 HH21 ARG X 56 33.493 5.332 27.726 1.00 0.00 H new ATOM 0 HH22 ARG X 56 34.599 5.883 28.989 1.00 0.00 H new ATOM 815 N ARG X 57 36.843 3.159 20.839 1.00 0.00 N ATOM 816 CA ARG X 57 37.731 3.488 19.743 1.00 0.00 C ATOM 817 C ARG X 57 37.044 3.207 18.413 1.00 0.00 C ATOM 818 O ARG X 57 37.222 3.935 17.443 1.00 0.00 O ATOM 819 CB ARG X 57 39.011 2.669 19.861 1.00 0.00 C ATOM 820 CG ARG X 57 40.062 3.266 18.936 1.00 0.00 C ATOM 821 CD ARG X 57 41.405 2.607 19.226 1.00 0.00 C ATOM 822 NE ARG X 57 41.369 1.214 18.813 1.00 0.00 N ATOM 823 CZ ARG X 57 41.625 0.840 17.554 1.00 0.00 C ATOM 824 NH1 ARG X 57 41.914 1.728 16.634 1.00 0.00 N ATOM 825 NH2 ARG X 57 41.588 -0.424 17.233 1.00 0.00 N ATOM 0 H ARG X 57 37.189 2.428 21.460 1.00 0.00 H new ATOM 0 HA ARG X 57 37.982 4.548 19.787 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.368 2.673 20.891 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.820 1.630 19.594 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.781 3.108 17.895 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.130 4.343 19.088 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.200 3.132 18.697 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.631 2.675 20.290 1.00 0.00 H new ATOM 0 HE ARG X 57 41.142 0.499 19.504 1.00 0.00 H new ATOM 0 HH11 ARG X 57 41.946 2.719 16.874 1.00 0.00 H new ATOM 0 HH12 ARG X 57 42.107 1.428 15.678 1.00 0.00 H new ATOM 0 HH21 ARG X 57 41.364 -1.124 17.941 1.00 0.00 H new ATOM 0 HH22 ARG X 57 41.783 -0.713 16.274 1.00 0.00 H new ATOM 839 N LEU X 58 36.256 2.138 18.378 1.00 0.00 N ATOM 840 CA LEU X 58 35.545 1.762 17.161 1.00 0.00 C ATOM 841 C LEU X 58 34.625 2.897 16.710 1.00 0.00 C ATOM 842 O LEU X 58 34.443 3.122 15.513 1.00 0.00 O ATOM 843 CB LEU X 58 34.711 0.502 17.403 1.00 0.00 C ATOM 844 CG LEU X 58 34.204 -0.044 16.065 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.368 -0.673 15.301 1.00 0.00 C ATOM 846 CD2 LEU X 58 33.137 -1.109 16.313 1.00 0.00 C ATOM 0 H LEU X 58 36.094 1.520 19.173 1.00 0.00 H new ATOM 0 HA LEU X 58 36.281 1.565 16.382 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.312 -0.252 17.911 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.869 0.731 18.056 1.00 0.00 H new ATOM 0 HG LEU X 58 33.776 0.772 15.483 1.00 0.00 H new ATOM 0 HD11 LEU X 58 35.010 -1.062 14.348 1.00 0.00 H new ATOM 0 HD12 LEU X 58 36.134 0.081 15.120 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.792 -1.487 15.889 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.779 -1.495 15.358 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.565 -1.924 16.896 1.00 0.00 H new ATOM 0 HD23 LEU X 58 32.304 -0.669 16.862 1.00 0.00 H new ATOM 858 N ASP X 59 34.046 3.604 17.677 1.00 0.00 N ATOM 859 CA ASP X 59 33.147 4.714 17.371 1.00 0.00 C ATOM 860 C ASP X 59 33.863 5.772 16.528 1.00 0.00 C ATOM 861 O ASP X 59 33.226 6.614 15.896 1.00 0.00 O ATOM 862 CB ASP X 59 32.637 5.347 18.668 1.00 0.00 C ATOM 863 CG ASP X 59 31.504 6.322 18.364 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.093 6.382 17.216 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.068 6.997 19.280 1.00 0.00 O ATOM 0 H ASP X 59 34.182 3.430 18.673 1.00 0.00 H new ATOM 0 HA ASP X 59 32.303 4.326 16.801 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.287 4.570 19.348 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.451 5.868 19.172 1.00 0.00 H new ATOM 870 N MET X 60 35.189 5.730 16.525 1.00 0.00 N ATOM 871 CA MET X 60 35.973 6.692 15.761 1.00 0.00 C ATOM 872 C MET X 60 35.634 6.597 14.282 1.00 0.00 C ATOM 873 O MET X 60 35.602 7.607 13.579 1.00 0.00 O ATOM 874 CB MET X 60 37.459 6.422 15.959 1.00 0.00 C ATOM 875 CG MET X 60 37.851 6.771 17.395 1.00 0.00 C ATOM 876 SD MET X 60 37.806 8.567 17.609 1.00 0.00 S ATOM 877 CE MET X 60 39.364 8.939 16.759 1.00 0.00 C ATOM 0 H MET X 60 35.742 5.044 17.040 1.00 0.00 H new ATOM 0 HA MET X 60 35.734 7.694 16.116 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.680 5.374 15.754 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.045 7.015 15.256 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.168 6.293 18.097 1.00 0.00 H new ATOM 0 HG3 MET X 60 38.849 6.392 17.614 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.033 9.465 17.440 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.833 8.010 16.435 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.164 9.566 15.890 1.00 0.00 H new ATOM 887 N TYR X 61 35.394 5.380 13.804 1.00 0.00 N ATOM 888 CA TYR X 61 35.073 5.175 12.395 1.00 0.00 C ATOM 889 C TYR X 61 33.594 5.467 12.112 1.00 0.00 C ATOM 890 O TYR X 61 33.011 4.904 11.184 1.00 0.00 O ATOM 891 CB TYR X 61 35.395 3.735 11.996 1.00 0.00 C ATOM 892 CG TYR X 61 36.658 3.296 12.696 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.687 2.085 13.396 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.803 4.104 12.646 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.862 1.678 14.043 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.976 3.700 13.296 1.00 0.00 C ATOM 897 CZ TYR X 61 39.004 2.486 13.995 1.00 0.00 C ATOM 898 OH TYR X 61 40.160 2.084 14.635 1.00 0.00 O ATOM 0 H TYR X 61 35.415 4.528 14.365 1.00 0.00 H new ATOM 0 HA TYR X 61 35.677 5.866 11.807 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.569 3.077 12.265 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.520 3.664 10.916 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.804 1.464 13.438 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.780 5.039 12.106 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.886 0.741 14.579 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.857 4.323 13.258 1.00 0.00 H new ATOM 0 HH TYR X 61 40.859 2.758 14.503 1.00 0.00 H new ATOM 908 N CYS X 62 32.993 6.356 12.907 1.00 0.00 N ATOM 909 CA CYS X 62 31.599 6.720 12.722 1.00 0.00 C ATOM 910 C CYS X 62 31.493 8.117 12.126 1.00 0.00 C ATOM 911 O CYS X 62 32.329 8.980 12.393 1.00 0.00 O ATOM 912 CB CYS X 62 30.868 6.676 14.059 1.00 0.00 C ATOM 913 SG CYS X 62 30.851 4.978 14.680 1.00 0.00 S ATOM 0 H CYS X 62 33.455 6.832 13.682 1.00 0.00 H new ATOM 0 HA CYS X 62 31.140 6.007 12.037 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.360 7.332 14.777 1.00 0.00 H new ATOM 0 HB3 CYS X 62 29.848 7.042 13.940 1.00 0.00 H new ATOM 918 N ALA X 63 30.466 8.331 11.314 1.00 0.00 N ATOM 919 CA ALA X 63 30.268 9.620 10.681 1.00 0.00 C ATOM 920 C ALA X 63 29.998 10.698 11.736 1.00 0.00 C ATOM 921 O ALA X 63 29.439 10.415 12.794 1.00 0.00 O ATOM 922 CB ALA X 63 29.085 9.554 9.713 1.00 0.00 C ATOM 0 H ALA X 63 29.763 7.630 11.081 1.00 0.00 H new ATOM 0 HA ALA X 63 31.174 9.875 10.132 1.00 0.00 H new ATOM 0 HB1 ALA X 63 28.945 10.527 9.243 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.284 8.806 8.946 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.182 9.282 10.260 1.00 0.00 H new