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= -0.0279 K(o=-0.028,f=-1.3!) 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 155:sc= -0.12 (180deg=-0.891) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 32.494 -10.589 15.532 1.00 0.00 N ATOM 61 CA LEU X 6 32.909 -9.255 15.127 1.00 0.00 C ATOM 62 C LEU X 6 33.719 -9.314 13.839 1.00 0.00 C ATOM 63 O LEU X 6 34.629 -8.512 13.630 1.00 0.00 O ATOM 64 CB LEU X 6 33.748 -8.614 16.234 1.00 0.00 C ATOM 65 CG LEU X 6 32.849 -8.273 17.425 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.716 -7.889 18.626 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.939 -7.095 17.057 1.00 0.00 C ATOM 0 HA LEU X 6 32.017 -8.653 14.952 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.539 -9.296 16.546 1.00 0.00 H new ATOM 0 HB3 LEU X 6 34.233 -7.712 15.861 1.00 0.00 H new ATOM 0 HG LEU X 6 32.239 -9.140 17.679 1.00 0.00 H new ATOM 0 HD11 LEU X 6 33.076 -7.646 19.474 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.365 -8.725 18.889 1.00 0.00 H new ATOM 0 HD13 LEU X 6 34.326 -7.022 18.372 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.298 -6.851 17.905 1.00 0.00 H new ATOM 0 HD22 LEU X 6 32.550 -6.229 16.803 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.321 -7.366 16.201 1.00 0.00 H new ATOM 79 N CYS X 7 33.391 -10.276 12.982 1.00 0.00 N ATOM 80 CA CYS X 7 34.098 -10.432 11.715 1.00 0.00 C ATOM 81 C CYS X 7 33.111 -10.544 10.556 1.00 0.00 C ATOM 82 O CYS X 7 32.008 -11.078 10.708 1.00 0.00 O ATOM 83 CB CYS X 7 34.978 -11.682 11.762 1.00 0.00 C ATOM 84 SG CYS X 7 36.275 -11.465 13.005 1.00 0.00 S ATOM 0 H CYS X 7 32.646 -10.955 13.140 1.00 0.00 H new ATOM 0 HA CYS X 7 34.722 -9.552 11.558 1.00 0.00 H new ATOM 0 HB2 CYS X 7 34.373 -12.556 12.002 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.424 -11.862 10.784 1.00 0.00 H new ATOM 89 N GLY X 8 33.518 -10.050 9.393 1.00 0.00 N ATOM 90 CA GLY X 8 32.667 -10.114 8.212 1.00 0.00 C ATOM 91 C GLY X 8 31.342 -9.398 8.452 1.00 0.00 C ATOM 92 O GLY X 8 31.314 -8.246 8.884 1.00 0.00 O ATOM 0 H GLY X 8 34.423 -9.605 9.243 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.181 -9.661 7.364 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.479 -11.155 7.951 1.00 0.00 H new ATOM 96 N ALA X 9 30.245 -10.089 8.165 1.00 0.00 N ATOM 97 CA ALA X 9 28.920 -9.512 8.349 1.00 0.00 C ATOM 98 C ALA X 9 28.697 -9.136 9.809 1.00 0.00 C ATOM 99 O ALA X 9 28.038 -8.139 10.108 1.00 0.00 O ATOM 100 CB ALA X 9 27.846 -10.509 7.905 1.00 0.00 C ATOM 0 H ALA X 9 30.247 -11.044 7.806 1.00 0.00 H new ATOM 0 HA ALA X 9 28.850 -8.611 7.739 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.859 -10.068 8.047 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.987 -10.751 6.852 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.926 -11.419 8.500 1.00 0.00 H new ATOM 106 N GLU X 10 29.237 -9.946 10.714 1.00 0.00 N ATOM 107 CA GLU X 10 29.071 -9.695 12.142 1.00 0.00 C ATOM 108 C GLU X 10 29.678 -8.348 12.519 1.00 0.00 C ATOM 109 O GLU X 10 29.100 -7.596 13.307 1.00 0.00 O ATOM 110 CB GLU X 10 29.754 -10.804 12.944 1.00 0.00 C ATOM 111 CG GLU X 10 29.021 -12.127 12.714 1.00 0.00 C ATOM 112 CD GLU X 10 27.645 -12.084 13.366 1.00 0.00 C ATOM 113 OE1 GLU X 10 27.431 -11.213 14.192 1.00 0.00 O ATOM 114 OE2 GLU X 10 26.826 -12.924 13.033 1.00 0.00 O ATOM 0 H GLU X 10 29.788 -10.774 10.488 1.00 0.00 H new ATOM 0 HA GLU X 10 28.006 -9.680 12.372 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.797 -10.897 12.641 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.751 -10.554 14.005 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.920 -12.314 11.645 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.603 -12.951 13.128 1.00 0.00 H new ATOM 121 N LEU X 11 30.837 -8.042 11.947 1.00 0.00 N ATOM 122 CA LEU X 11 31.503 -6.776 12.224 1.00 0.00 C ATOM 123 C LEU X 11 30.651 -5.606 11.741 1.00 0.00 C ATOM 124 O LEU X 11 30.505 -4.599 12.434 1.00 0.00 O ATOM 125 CB LEU X 11 32.868 -6.739 11.533 1.00 0.00 C ATOM 126 CG LEU X 11 33.561 -5.408 11.835 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.818 -5.291 13.338 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.891 -5.347 11.083 1.00 0.00 C ATOM 0 H LEU X 11 31.332 -8.649 11.293 1.00 0.00 H new ATOM 0 HA LEU X 11 31.642 -6.688 13.302 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.485 -7.568 11.879 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.745 -6.861 10.457 1.00 0.00 H new ATOM 0 HG LEU X 11 32.922 -4.585 11.514 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.311 -4.342 13.550 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.870 -5.334 13.874 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.456 -6.113 13.663 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.387 -4.400 11.296 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.529 -6.171 11.404 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.707 -5.427 10.012 1.00 0.00 H new ATOM 140 N VAL X 12 30.091 -5.744 10.542 1.00 0.00 N ATOM 141 CA VAL X 12 29.250 -4.697 9.976 1.00 0.00 C ATOM 142 C VAL X 12 28.040 -4.435 10.865 1.00 0.00 C ATOM 143 O VAL X 12 27.668 -3.288 11.105 1.00 0.00 O ATOM 144 CB VAL X 12 28.788 -5.098 8.575 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.642 -4.184 8.131 1.00 0.00 C ATOM 146 CG2 VAL X 12 29.956 -4.951 7.594 1.00 0.00 C ATOM 0 H VAL X 12 30.204 -6.565 9.948 1.00 0.00 H new ATOM 0 HA VAL X 12 29.838 -3.781 9.913 1.00 0.00 H new ATOM 0 HB VAL X 12 28.445 -6.133 8.590 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.314 -4.471 7.132 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.809 -4.280 8.828 1.00 0.00 H new ATOM 0 HG13 VAL X 12 27.986 -3.150 8.117 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.629 -5.236 6.594 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.294 -3.915 7.583 1.00 0.00 H new ATOM 0 HG23 VAL X 12 30.777 -5.597 7.906 1.00 0.00 H new ATOM 156 N ASP X 13 27.426 -5.513 11.343 1.00 0.00 N ATOM 157 CA ASP X 13 26.254 -5.394 12.198 1.00 0.00 C ATOM 158 C ASP X 13 26.599 -4.614 13.463 1.00 0.00 C ATOM 159 O ASP X 13 25.857 -3.722 13.876 1.00 0.00 O ATOM 160 CB ASP X 13 25.741 -6.783 12.579 1.00 0.00 C ATOM 161 CG ASP X 13 24.432 -6.663 13.352 1.00 0.00 C ATOM 162 OD1 ASP X 13 24.036 -5.545 13.638 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.845 -7.690 13.646 1.00 0.00 O ATOM 0 H ASP X 13 27.719 -6.471 11.154 1.00 0.00 H new ATOM 0 HA ASP X 13 25.478 -4.860 11.650 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.589 -7.382 11.681 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.485 -7.300 13.185 1.00 0.00 H new ATOM 168 N ALA X 14 27.733 -4.949 14.071 1.00 0.00 N ATOM 169 CA ALA X 14 28.171 -4.266 15.282 1.00 0.00 C ATOM 170 C ALA X 14 28.421 -2.787 15.003 1.00 0.00 C ATOM 171 O ALA X 14 28.087 -1.926 15.818 1.00 0.00 O ATOM 172 CB ALA X 14 29.447 -4.913 15.818 1.00 0.00 C ATOM 0 H ALA X 14 28.361 -5.684 13.747 1.00 0.00 H new ATOM 0 HA ALA X 14 27.383 -4.353 16.030 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.765 -4.395 16.723 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.254 -5.961 16.049 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.233 -4.845 15.066 1.00 0.00 H new ATOM 178 N LEU X 15 29.013 -2.501 13.844 1.00 0.00 N ATOM 179 CA LEU X 15 29.301 -1.122 13.470 1.00 0.00 C ATOM 180 C LEU X 15 28.011 -0.317 13.349 1.00 0.00 C ATOM 181 O LEU X 15 27.928 0.813 13.830 1.00 0.00 O ATOM 182 CB LEU X 15 30.047 -1.095 12.133 1.00 0.00 C ATOM 183 CG LEU X 15 31.472 -1.612 12.330 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.108 -1.887 10.966 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.296 -0.552 13.068 1.00 0.00 C ATOM 0 H LEU X 15 29.299 -3.198 13.157 1.00 0.00 H new ATOM 0 HA LEU X 15 29.922 -0.675 14.247 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.524 -1.710 11.401 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.069 -0.079 11.738 1.00 0.00 H new ATOM 0 HG LEU X 15 31.449 -2.533 12.913 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.124 -2.256 11.106 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.520 -2.636 10.435 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.133 -0.966 10.384 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.313 -0.916 13.211 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.318 0.366 12.480 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.843 -0.350 14.039 1.00 0.00 H new ATOM 197 N GLN X 16 27.004 -0.915 12.722 1.00 0.00 N ATOM 198 CA GLN X 16 25.716 -0.250 12.557 1.00 0.00 C ATOM 199 C GLN X 16 25.041 -0.059 13.911 1.00 0.00 C ATOM 200 O GLN X 16 24.435 0.971 14.173 1.00 0.00 O ATOM 201 CB GLN X 16 24.809 -1.081 11.649 1.00 0.00 C ATOM 202 CG GLN X 16 25.351 -1.045 10.220 1.00 0.00 C ATOM 203 CD GLN X 16 24.581 -2.030 9.346 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.108 -3.056 9.835 1.00 0.00 O ATOM 205 NE2 GLN X 16 24.426 -1.776 8.076 1.00 0.00 N ATOM 0 H GLN X 16 27.053 -1.852 12.322 1.00 0.00 H new ATOM 0 HA GLN X 16 25.887 0.726 12.102 1.00 0.00 H new ATOM 0 HB2 GLN X 16 24.762 -2.110 12.006 1.00 0.00 H new ATOM 0 HB3 GLN X 16 23.792 -0.688 11.674 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.261 -0.038 9.813 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.412 -1.296 10.218 1.00 0.00 H new ATOM 0 HE21 GLN X 16 24.819 -0.925 7.674 1.00 0.00 H new ATOM 0 HE22 GLN X 16 23.911 -2.428 7.484 1.00 0.00 H new ATOM 214 N PHE X 17 25.151 -1.063 14.770 1.00 0.00 N ATOM 215 CA PHE X 17 24.548 -0.988 16.095 1.00 0.00 C ATOM 216 C PHE X 17 25.108 0.187 16.885 1.00 0.00 C ATOM 217 O PHE X 17 24.357 0.964 17.475 1.00 0.00 O ATOM 218 CB PHE X 17 24.817 -2.288 16.863 1.00 0.00 C ATOM 219 CG PHE X 17 24.442 -2.110 18.315 1.00 0.00 C ATOM 220 CD1 PHE X 17 23.116 -2.288 18.728 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.427 -1.755 19.249 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.773 -2.117 20.075 1.00 0.00 C ATOM 223 CE2 PHE X 17 25.081 -1.584 20.595 1.00 0.00 C ATOM 224 CZ PHE X 17 23.757 -1.764 21.009 1.00 0.00 C ATOM 0 H PHE X 17 25.648 -1.933 14.576 1.00 0.00 H new ATOM 0 HA PHE X 17 23.475 -0.845 15.971 1.00 0.00 H new ATOM 0 HB2 PHE X 17 24.242 -3.105 16.427 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.869 -2.559 16.780 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.358 -2.557 18.008 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.449 -1.614 18.931 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.751 -2.257 20.394 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.838 -1.312 21.315 1.00 0.00 H new ATOM 0 HZ PHE X 17 23.493 -1.631 22.048 1.00 0.00 H new ATOM 234 N VAL X 18 26.431 0.297 16.911 1.00 0.00 N ATOM 235 CA VAL X 18 27.081 1.366 17.659 1.00 0.00 C ATOM 236 C VAL X 18 26.699 2.730 17.095 1.00 0.00 C ATOM 237 O VAL X 18 26.360 3.648 17.841 1.00 0.00 O ATOM 238 CB VAL X 18 28.600 1.196 17.597 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.276 2.371 18.301 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.999 -0.111 18.285 1.00 0.00 C ATOM 0 H VAL X 18 27.070 -0.335 16.428 1.00 0.00 H new ATOM 0 HA VAL X 18 26.748 1.310 18.695 1.00 0.00 H new ATOM 0 HB VAL X 18 28.917 1.167 16.555 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.358 2.248 18.256 1.00 0.00 H new ATOM 0 HG12 VAL X 18 28.995 3.301 17.807 1.00 0.00 H new ATOM 0 HG13 VAL X 18 28.958 2.403 19.343 1.00 0.00 H new ATOM 0 HG21 VAL X 18 30.082 -0.230 18.240 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.680 -0.086 19.327 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.520 -0.949 17.779 1.00 0.00 H new ATOM 250 N CYS X 19 26.761 2.856 15.773 1.00 0.00 N ATOM 251 CA CYS X 19 26.428 4.116 15.121 1.00 0.00 C ATOM 252 C CYS X 19 25.340 3.912 14.073 1.00 0.00 C ATOM 253 O CYS X 19 25.578 4.075 12.878 1.00 0.00 O ATOM 254 CB CYS X 19 27.678 4.701 14.459 1.00 0.00 C ATOM 255 SG CYS X 19 28.946 4.991 15.719 1.00 0.00 S ATOM 0 H CYS X 19 27.036 2.107 15.137 1.00 0.00 H new ATOM 0 HA CYS X 19 26.056 4.808 15.876 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.055 4.016 13.699 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.432 5.635 13.953 1.00 0.00 H new ATOM 260 N GLY X 20 24.145 3.556 14.530 1.00 0.00 N ATOM 261 CA GLY X 20 23.030 3.338 13.617 1.00 0.00 C ATOM 262 C GLY X 20 22.650 4.622 12.894 1.00 0.00 C ATOM 263 O GLY X 20 22.416 4.621 11.684 1.00 0.00 O ATOM 0 H GLY X 20 23.925 3.414 15.516 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.298 2.573 12.888 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.170 2.962 14.172 1.00 0.00 H new ATOM 267 N ASP X 21 22.579 5.717 13.644 1.00 0.00 N ATOM 268 CA ASP X 21 22.214 7.004 13.064 1.00 0.00 C ATOM 269 C ASP X 21 23.427 7.680 12.436 1.00 0.00 C ATOM 270 O ASP X 21 23.393 8.079 11.271 1.00 0.00 O ATOM 271 CB ASP X 21 21.624 7.913 14.145 1.00 0.00 C ATOM 272 CG ASP X 21 21.058 9.179 13.511 1.00 0.00 C ATOM 273 OD1 ASP X 21 21.275 9.376 12.328 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.414 9.936 14.220 1.00 0.00 O ATOM 0 H ASP X 21 22.768 5.740 14.646 1.00 0.00 H new ATOM 0 HA ASP X 21 21.471 6.830 12.286 1.00 0.00 H new ATOM 0 HB2 ASP X 21 20.839 7.385 14.686 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.393 8.173 14.872 1.00 0.00 H new ATOM 279 N ARG X 22 24.494 7.814 13.217 1.00 0.00 N ATOM 280 CA ARG X 22 25.708 8.452 12.728 1.00 0.00 C ATOM 281 C ARG X 22 26.305 7.661 11.569 1.00 0.00 C ATOM 282 O ARG X 22 26.767 8.239 10.586 1.00 0.00 O ATOM 283 CB ARG X 22 26.733 8.554 13.859 1.00 0.00 C ATOM 284 CG ARG X 22 26.253 9.571 14.895 1.00 0.00 C ATOM 285 CD ARG X 22 27.163 9.518 16.120 1.00 0.00 C ATOM 286 NE ARG X 22 27.006 8.246 16.814 1.00 0.00 N ATOM 287 CZ ARG X 22 27.774 7.927 17.853 1.00 0.00 C ATOM 288 NH1 ARG X 22 28.696 8.758 18.272 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.611 6.781 18.458 1.00 0.00 N ATOM 0 H ARG X 22 24.542 7.492 14.184 1.00 0.00 H new ATOM 0 HA ARG X 22 25.452 9.451 12.374 1.00 0.00 H new ATOM 0 HB2 ARG X 22 26.871 7.580 14.328 1.00 0.00 H new ATOM 0 HB3 ARG X 22 27.701 8.856 13.460 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.260 10.573 14.467 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.224 9.355 15.183 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.202 9.648 15.815 1.00 0.00 H new ATOM 0 HD3 ARG X 22 26.924 10.340 16.795 1.00 0.00 H new ATOM 0 HE ARG X 22 26.294 7.588 16.497 1.00 0.00 H new ATOM 0 HH11 ARG X 22 28.827 9.653 17.802 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.282 8.510 19.069 1.00 0.00 H new ATOM 0 HH21 ARG X 22 26.895 6.131 18.134 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.200 6.536 19.254 1.00 0.00 H new ATOM 303 N GLY X 23 26.289 6.339 11.691 1.00 0.00 N ATOM 304 CA GLY X 23 26.831 5.479 10.648 1.00 0.00 C ATOM 305 C GLY X 23 28.355 5.448 10.706 1.00 0.00 C ATOM 306 O GLY X 23 28.962 6.021 11.611 1.00 0.00 O ATOM 0 H GLY X 23 25.909 5.842 12.497 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.438 4.469 10.763 1.00 0.00 H new ATOM 0 HA3 GLY X 23 26.507 5.837 9.671 1.00 0.00 H new ATOM 310 N PHE X 24 28.966 4.779 9.734 1.00 0.00 N ATOM 311 CA PHE X 24 30.420 4.684 9.682 1.00 0.00 C ATOM 312 C PHE X 24 30.897 4.500 8.247 1.00 0.00 C ATOM 313 O PHE X 24 30.132 4.081 7.379 1.00 0.00 O ATOM 314 CB PHE X 24 30.889 3.507 10.539 1.00 0.00 C ATOM 315 CG PHE X 24 30.331 2.221 9.981 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.109 1.430 9.128 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.031 1.823 10.313 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.588 0.240 8.609 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.511 0.633 9.795 1.00 0.00 C ATOM 320 CZ PHE X 24 29.288 -0.159 8.943 1.00 0.00 C ATOM 0 H PHE X 24 28.481 4.298 8.977 1.00 0.00 H new ATOM 0 HA PHE X 24 30.844 5.610 10.070 1.00 0.00 H new ATOM 0 HB2 PHE X 24 31.978 3.466 10.554 1.00 0.00 H new ATOM 0 HB3 PHE X 24 30.561 3.641 11.570 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.112 1.738 8.870 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.430 2.435 10.969 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.188 -0.371 7.951 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.509 0.325 10.053 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.885 -1.078 8.543 1.00 0.00 H new ATOM 330 N TYR X 25 32.164 4.815 8.004 1.00 0.00 N ATOM 331 CA TYR X 25 32.730 4.677 6.668 1.00 0.00 C ATOM 332 C TYR X 25 34.224 4.378 6.746 1.00 0.00 C ATOM 333 O TYR X 25 34.864 4.626 7.769 1.00 0.00 O ATOM 334 CB TYR X 25 32.511 5.968 5.874 1.00 0.00 C ATOM 335 CG TYR X 25 33.327 7.083 6.484 1.00 0.00 C ATOM 336 CD1 TYR X 25 34.635 7.316 6.038 1.00 0.00 C ATOM 337 CD2 TYR X 25 32.780 7.881 7.495 1.00 0.00 C ATOM 338 CE1 TYR X 25 35.393 8.349 6.601 1.00 0.00 C ATOM 339 CE2 TYR X 25 33.539 8.914 8.059 1.00 0.00 C ATOM 340 CZ TYR X 25 34.846 9.147 7.613 1.00 0.00 C ATOM 341 OH TYR X 25 35.593 10.165 8.170 1.00 0.00 O ATOM 0 H TYR X 25 32.814 5.165 8.708 1.00 0.00 H new ATOM 0 HA TYR X 25 32.230 3.849 6.166 1.00 0.00 H new ATOM 0 HB2 TYR X 25 32.799 5.820 4.833 1.00 0.00 H new ATOM 0 HB3 TYR X 25 31.454 6.234 5.877 1.00 0.00 H new ATOM 0 HD1 TYR X 25 35.058 6.698 5.260 1.00 0.00 H new ATOM 0 HD2 TYR X 25 31.773 7.700 7.840 1.00 0.00 H new ATOM 0 HE1 TYR X 25 36.400 8.531 6.255 1.00 0.00 H new ATOM 0 HE2 TYR X 25 33.116 9.531 8.838 1.00 0.00 H new ATOM 0 HH TYR X 25 35.063 10.621 8.857 1.00 0.00 H new ATOM 613 N ILE X 44 41.223 -1.770 9.823 1.00 0.00 N ATOM 614 CA ILE X 44 40.257 -1.602 10.897 1.00 0.00 C ATOM 615 C ILE X 44 39.487 -2.895 11.132 1.00 0.00 C ATOM 616 O ILE X 44 39.313 -3.328 12.272 1.00 0.00 O ATOM 617 CB ILE X 44 39.280 -0.481 10.543 1.00 0.00 C ATOM 618 CG1 ILE X 44 40.014 0.860 10.558 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.150 -0.452 11.568 1.00 0.00 C ATOM 620 CD1 ILE X 44 39.125 1.939 9.932 1.00 0.00 C ATOM 0 HA ILE X 44 40.794 -1.344 11.809 1.00 0.00 H new ATOM 0 HB ILE X 44 38.868 -0.658 9.550 1.00 0.00 H new ATOM 0 HG12 ILE X 44 40.270 1.134 11.581 1.00 0.00 H new ATOM 0 HG13 ILE X 44 40.950 0.780 10.005 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.452 0.347 11.318 1.00 0.00 H new ATOM 0 HG22 ILE X 44 37.626 -1.408 11.559 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.564 -0.274 12.561 1.00 0.00 H new ATOM 0 HD11 ILE X 44 39.650 2.894 9.943 1.00 0.00 H new ATOM 0 HD12 ILE X 44 38.891 1.666 8.903 1.00 0.00 H new ATOM 0 HD13 ILE X 44 38.201 2.026 10.503 1.00 0.00 H new ATOM 632 N VAL X 45 39.027 -3.509 10.047 1.00 0.00 N ATOM 633 CA VAL X 45 38.277 -4.755 10.146 1.00 0.00 C ATOM 634 C VAL X 45 39.127 -5.848 10.778 1.00 0.00 C ATOM 635 O VAL X 45 38.669 -6.561 11.662 1.00 0.00 O ATOM 636 CB VAL X 45 37.824 -5.205 8.754 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.279 -6.635 8.831 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.724 -4.266 8.249 1.00 0.00 C ATOM 0 H VAL X 45 39.159 -3.167 9.095 1.00 0.00 H new ATOM 0 HA VAL X 45 37.405 -4.579 10.776 1.00 0.00 H new ATOM 0 HB VAL X 45 38.671 -5.176 8.069 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.957 -6.955 7.840 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.061 -7.303 9.192 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.431 -6.665 9.516 1.00 0.00 H new ATOM 0 HG21 VAL X 45 36.400 -4.585 7.258 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.877 -4.296 8.935 1.00 0.00 H new ATOM 0 HG23 VAL X 45 37.111 -3.248 8.194 1.00 0.00 H new ATOM 648 N ASP X 46 40.360 -5.975 10.313 1.00 0.00 N ATOM 649 CA ASP X 46 41.265 -6.985 10.835 1.00 0.00 C ATOM 650 C ASP X 46 41.574 -6.718 12.302 1.00 0.00 C ATOM 651 O ASP X 46 41.740 -7.646 13.086 1.00 0.00 O ATOM 652 CB ASP X 46 42.566 -6.997 10.028 1.00 0.00 C ATOM 653 CG ASP X 46 42.308 -7.558 8.633 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.257 -8.146 8.437 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.164 -7.388 7.779 1.00 0.00 O ATOM 0 H ASP X 46 40.756 -5.392 9.576 1.00 0.00 H new ATOM 0 HA ASP X 46 40.780 -7.957 10.748 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.967 -5.986 9.954 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.315 -7.601 10.539 1.00 0.00 H new ATOM 660 N GLU X 47 41.701 -5.442 12.659 1.00 0.00 N ATOM 661 CA GLU X 47 42.039 -5.092 14.033 1.00 0.00 C ATOM 662 C GLU X 47 40.990 -5.606 15.001 1.00 0.00 C ATOM 663 O GLU X 47 41.319 -6.291 15.962 1.00 0.00 O ATOM 664 CB GLU X 47 42.128 -3.563 14.154 1.00 0.00 C ATOM 665 CG GLU X 47 42.464 -3.179 15.594 1.00 0.00 C ATOM 666 CD GLU X 47 42.701 -1.675 15.694 1.00 0.00 C ATOM 667 OE1 GLU X 47 42.626 -1.013 14.675 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.952 -1.209 16.795 1.00 0.00 O ATOM 0 H GLU X 47 41.578 -4.649 12.029 1.00 0.00 H new ATOM 0 HA GLU X 47 42.995 -5.552 14.283 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.891 -3.179 13.477 1.00 0.00 H new ATOM 0 HB3 GLU X 47 41.182 -3.109 13.858 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.649 -3.471 16.256 1.00 0.00 H new ATOM 0 HG3 GLU X 47 43.352 -3.718 15.924 1.00 0.00 H new ATOM 675 N CYS X 48 39.731 -5.278 14.742 1.00 0.00 N ATOM 676 CA CYS X 48 38.642 -5.725 15.599 1.00 0.00 C ATOM 677 C CYS X 48 38.375 -7.213 15.408 1.00 0.00 C ATOM 678 O CYS X 48 38.094 -7.934 16.365 1.00 0.00 O ATOM 679 CB CYS X 48 37.374 -4.929 15.289 1.00 0.00 C ATOM 680 SG CYS X 48 37.599 -3.208 15.826 1.00 0.00 S ATOM 0 H CYS X 48 39.440 -4.707 13.949 1.00 0.00 H new ATOM 0 HA CYS X 48 38.932 -5.557 16.636 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.161 -4.964 14.221 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.519 -5.372 15.799 1.00 0.00 H new ATOM 685 N CYS X 49 38.439 -7.659 14.159 1.00 0.00 N ATOM 686 CA CYS X 49 38.178 -9.054 13.839 1.00 0.00 C ATOM 687 C CYS X 49 39.157 -9.967 14.567 1.00 0.00 C ATOM 688 O CYS X 49 38.759 -10.973 15.152 1.00 0.00 O ATOM 689 CB CYS X 49 38.285 -9.280 12.328 1.00 0.00 C ATOM 690 SG CYS X 49 37.934 -11.017 11.937 1.00 0.00 S ATOM 0 H CYS X 49 38.669 -7.076 13.355 1.00 0.00 H new ATOM 0 HA CYS X 49 37.167 -9.295 14.167 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.583 -8.631 11.804 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.284 -9.015 11.982 1.00 0.00 H new ATOM 695 N PHE X 50 40.438 -9.610 14.520 1.00 0.00 N ATOM 696 CA PHE X 50 41.463 -10.408 15.176 1.00 0.00 C ATOM 697 C PHE X 50 41.637 -9.965 16.626 1.00 0.00 C ATOM 698 O PHE X 50 41.319 -10.702 17.555 1.00 0.00 O ATOM 699 CB PHE X 50 42.791 -10.265 14.426 1.00 0.00 C ATOM 700 CG PHE X 50 42.724 -11.053 13.141 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.100 -10.502 12.009 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.287 -12.330 13.070 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.040 -11.227 10.813 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.229 -13.059 11.874 1.00 0.00 C ATOM 705 CZ PHE X 50 42.605 -12.509 10.746 1.00 0.00 C ATOM 0 H PHE X 50 40.786 -8.781 14.039 1.00 0.00 H new ATOM 0 HA PHE X 50 41.153 -11.453 15.165 1.00 0.00 H new ATOM 0 HB2 PHE X 50 42.990 -9.215 14.212 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.612 -10.626 15.045 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.665 -9.515 12.062 1.00 0.00 H new ATOM 0 HD2 PHE X 50 43.768 -12.756 13.938 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.560 -10.800 9.945 1.00 0.00 H new ATOM 0 HE2 PHE X 50 43.666 -14.045 11.822 1.00 0.00 H new ATOM 0 HZ PHE X 50 42.559 -13.072 9.826 1.00 0.00 H new ATOM 715 N ARG X 51 42.142 -8.746 16.807 1.00 0.00 N ATOM 716 CA ARG X 51 42.350 -8.206 18.141 1.00 0.00 C ATOM 717 C ARG X 51 41.042 -7.649 18.700 1.00 0.00 C ATOM 718 O ARG X 51 40.184 -7.185 17.952 1.00 0.00 O ATOM 719 CB ARG X 51 43.403 -7.097 18.104 1.00 0.00 C ATOM 720 CG ARG X 51 43.658 -6.589 19.525 1.00 0.00 C ATOM 721 CD ARG X 51 44.802 -5.574 19.507 1.00 0.00 C ATOM 722 NE ARG X 51 45.043 -5.067 20.853 1.00 0.00 N ATOM 723 CZ ARG X 51 45.719 -5.783 21.748 1.00 0.00 C ATOM 724 NH1 ARG X 51 46.178 -6.970 21.436 1.00 0.00 N ATOM 725 NH2 ARG X 51 45.923 -5.303 22.946 1.00 0.00 N ATOM 0 H ARG X 51 42.412 -8.120 16.049 1.00 0.00 H new ATOM 0 HA ARG X 51 42.699 -9.012 18.787 1.00 0.00 H new ATOM 0 HB2 ARG X 51 44.329 -7.474 17.669 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.063 -6.279 17.469 1.00 0.00 H new ATOM 0 HG2 ARG X 51 42.755 -6.128 19.925 1.00 0.00 H new ATOM 0 HG3 ARG X 51 43.908 -7.423 20.181 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.707 -6.041 19.118 1.00 0.00 H new ATOM 0 HD3 ARG X 51 44.556 -4.749 18.838 1.00 0.00 H new ATOM 0 HE ARG X 51 44.687 -4.147 21.113 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.018 -7.350 20.503 1.00 0.00 H new ATOM 0 HH12 ARG X 51 46.696 -7.514 22.126 1.00 0.00 H new ATOM 0 HH21 ARG X 51 45.564 -4.381 23.194 1.00 0.00 H new ATOM 0 HH22 ARG X 51 46.441 -5.850 23.633 1.00 0.00 H new ATOM 739 N SER X 52 40.891 -7.704 20.015 1.00 0.00 N ATOM 740 CA SER X 52 39.680 -7.199 20.650 1.00 0.00 C ATOM 741 C SER X 52 39.757 -5.682 20.815 1.00 0.00 C ATOM 742 O SER X 52 40.218 -5.182 21.841 1.00 0.00 O ATOM 743 CB SER X 52 39.503 -7.851 22.022 1.00 0.00 C ATOM 744 OG SER X 52 38.407 -7.247 22.694 1.00 0.00 O ATOM 0 H SER X 52 41.583 -8.089 20.658 1.00 0.00 H new ATOM 0 HA SER X 52 38.828 -7.444 20.016 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.329 -8.921 21.909 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.413 -7.737 22.611 1.00 0.00 H new ATOM 0 HG SER X 52 38.292 -7.665 23.573 1.00 0.00 H new ATOM 750 N CYS X 53 39.299 -4.960 19.796 1.00 0.00 N ATOM 751 CA CYS X 53 39.320 -3.502 19.839 1.00 0.00 C ATOM 752 C CYS X 53 38.218 -2.979 20.756 1.00 0.00 C ATOM 753 O CYS X 53 37.122 -3.536 20.805 1.00 0.00 O ATOM 754 CB CYS X 53 39.133 -2.937 18.428 1.00 0.00 C ATOM 755 SG CYS X 53 37.459 -3.308 17.842 1.00 0.00 S ATOM 0 H CYS X 53 38.913 -5.356 18.939 1.00 0.00 H new ATOM 0 HA CYS X 53 40.284 -3.179 20.232 1.00 0.00 H new ATOM 0 HB2 CYS X 53 39.297 -1.859 18.432 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.870 -3.369 17.751 1.00 0.00 H new ATOM 760 N ASP X 54 38.516 -1.904 21.475 1.00 0.00 N ATOM 761 CA ASP X 54 37.545 -1.312 22.386 1.00 0.00 C ATOM 762 C ASP X 54 36.378 -0.702 21.614 1.00 0.00 C ATOM 763 O ASP X 54 36.538 -0.254 20.480 1.00 0.00 O ATOM 764 CB ASP X 54 38.215 -0.232 23.238 1.00 0.00 C ATOM 765 CG ASP X 54 39.134 -0.876 24.271 1.00 0.00 C ATOM 766 OD1 ASP X 54 39.041 -2.079 24.451 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.916 -0.155 24.870 1.00 0.00 O ATOM 0 H ASP X 54 39.417 -1.427 21.445 1.00 0.00 H new ATOM 0 HA ASP X 54 37.162 -2.101 23.034 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.787 0.442 22.601 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.457 0.370 23.739 1.00 0.00 H new ATOM 772 N LEU X 55 35.207 -0.683 22.239 1.00 0.00 N ATOM 773 CA LEU X 55 34.023 -0.114 21.607 1.00 0.00 C ATOM 774 C LEU X 55 34.230 1.371 21.335 1.00 0.00 C ATOM 775 O LEU X 55 33.796 1.889 20.304 1.00 0.00 O ATOM 776 CB LEU X 55 32.801 -0.312 22.507 1.00 0.00 C ATOM 777 CG LEU X 55 32.427 -1.795 22.544 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.370 -2.027 23.625 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.863 -2.213 21.182 1.00 0.00 C ATOM 0 H LEU X 55 35.052 -1.053 23.177 1.00 0.00 H new ATOM 0 HA LEU X 55 33.855 -0.625 20.659 1.00 0.00 H new ATOM 0 HB2 LEU X 55 33.017 0.044 23.514 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.962 0.276 22.134 1.00 0.00 H new ATOM 0 HG LEU X 55 33.314 -2.388 22.769 1.00 0.00 H new ATOM 0 HD11 LEU X 55 31.103 -3.083 23.652 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.769 -1.729 24.594 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.483 -1.434 23.400 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.596 -3.270 21.207 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.976 -1.620 20.958 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.615 -2.047 20.410 1.00 0.00 H new ATOM 791 N ARG X 56 34.892 2.051 22.264 1.00 0.00 N ATOM 792 CA ARG X 56 35.151 3.476 22.108 1.00 0.00 C ATOM 793 C ARG X 56 35.980 3.733 20.849 1.00 0.00 C ATOM 794 O ARG X 56 35.668 4.629 20.065 1.00 0.00 O ATOM 795 CB ARG X 56 35.900 4.011 23.332 1.00 0.00 C ATOM 796 CG ARG X 56 36.203 5.501 23.149 1.00 0.00 C ATOM 797 CD ARG X 56 34.896 6.282 23.058 1.00 0.00 C ATOM 798 NE ARG X 56 35.157 7.711 23.040 1.00 0.00 N ATOM 799 CZ ARG X 56 34.199 8.583 22.735 1.00 0.00 C ATOM 800 NH1 ARG X 56 32.994 8.164 22.441 1.00 0.00 N ATOM 801 NH2 ARG X 56 34.462 9.862 22.729 1.00 0.00 N ATOM 0 H ARG X 56 35.256 1.643 23.125 1.00 0.00 H new ATOM 0 HA ARG X 56 34.195 3.992 22.015 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.301 3.861 24.230 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.828 3.457 23.472 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.799 5.866 23.985 1.00 0.00 H new ATOM 0 HG3 ARG X 56 36.793 5.654 22.246 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.355 5.994 22.156 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.257 6.034 23.906 1.00 0.00 H new ATOM 0 HE ARG X 56 36.091 8.052 23.265 1.00 0.00 H new ATOM 0 HH11 ARG X 56 32.786 7.165 22.445 1.00 0.00 H new ATOM 0 HH12 ARG X 56 32.263 8.836 22.208 1.00 0.00 H new ATOM 0 HH21 ARG X 56 35.400 10.191 22.958 1.00 0.00 H new ATOM 0 HH22 ARG X 56 33.729 10.532 22.496 1.00 0.00 H new ATOM 815 N ARG X 57 37.035 2.936 20.654 1.00 0.00 N ATOM 816 CA ARG X 57 37.879 3.074 19.489 1.00 0.00 C ATOM 817 C ARG X 57 37.081 2.797 18.223 1.00 0.00 C ATOM 818 O ARG X 57 37.271 3.442 17.207 1.00 0.00 O ATOM 819 CB ARG X 57 39.058 2.105 19.586 1.00 0.00 C ATOM 820 CG ARG X 57 39.914 2.219 18.329 1.00 0.00 C ATOM 821 CD ARG X 57 41.092 1.256 18.427 1.00 0.00 C ATOM 822 NE ARG X 57 42.064 1.740 19.400 1.00 0.00 N ATOM 823 CZ ARG X 57 42.956 2.676 19.075 1.00 0.00 C ATOM 824 NH1 ARG X 57 42.975 3.184 17.867 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.815 3.093 19.966 1.00 0.00 N ATOM 0 H ARG X 57 37.315 2.193 21.294 1.00 0.00 H new ATOM 0 HA ARG X 57 38.257 4.095 19.447 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.657 2.331 20.468 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.695 1.084 19.700 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.316 1.990 17.447 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.275 3.241 18.213 1.00 0.00 H new ATOM 0 HD2 ARG X 57 40.738 0.267 18.718 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.566 1.151 17.451 1.00 0.00 H new ATOM 0 HE ARG X 57 42.062 1.356 20.345 1.00 0.00 H new ATOM 0 HH11 ARG X 57 42.304 2.864 17.168 1.00 0.00 H new ATOM 0 HH12 ARG X 57 43.660 3.900 17.625 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.803 2.703 20.908 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.498 3.809 19.720 1.00 0.00 H new ATOM 839 N LEU X 58 36.196 1.814 18.289 1.00 0.00 N ATOM 840 CA LEU X 58 35.382 1.448 17.133 1.00 0.00 C ATOM 841 C LEU X 58 34.531 2.633 16.685 1.00 0.00 C ATOM 842 O LEU X 58 34.316 2.841 15.493 1.00 0.00 O ATOM 843 CB LEU X 58 34.470 0.274 17.486 1.00 0.00 C ATOM 844 CG LEU X 58 33.818 -0.270 16.212 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.854 -1.051 15.401 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.661 -1.196 16.585 1.00 0.00 C ATOM 0 H LEU X 58 36.021 1.256 19.125 1.00 0.00 H new ATOM 0 HA LEU X 58 36.048 1.159 16.320 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.045 -0.512 17.977 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.703 0.595 18.191 1.00 0.00 H new ATOM 0 HG LEU X 58 33.440 0.561 15.616 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.390 -1.438 14.494 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.679 -0.391 15.133 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.233 -1.881 15.998 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.197 -1.583 15.677 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.038 -2.026 17.182 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.922 -0.640 17.162 1.00 0.00 H new ATOM 858 N ASP X 59 34.038 3.397 17.652 1.00 0.00 N ATOM 859 CA ASP X 59 33.200 4.553 17.350 1.00 0.00 C ATOM 860 C ASP X 59 33.966 5.567 16.504 1.00 0.00 C ATOM 861 O ASP X 59 33.375 6.413 15.850 1.00 0.00 O ATOM 862 CB ASP X 59 32.734 5.218 18.647 1.00 0.00 C ATOM 863 CG ASP X 59 31.582 6.176 18.360 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.118 6.191 17.231 1.00 0.00 O ATOM 865 OD2 ASP X 59 31.180 6.879 19.272 1.00 0.00 O ATOM 0 H ASP X 59 34.202 3.239 18.646 1.00 0.00 H new ATOM 0 HA ASP X 59 32.332 4.208 16.787 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.416 4.458 19.361 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.562 5.759 19.105 1.00 0.00 H new ATOM 870 N MET X 60 35.286 5.487 16.535 1.00 0.00 N ATOM 871 CA MET X 60 36.116 6.417 15.780 1.00 0.00 C ATOM 872 C MET X 60 35.838 6.291 14.287 1.00 0.00 C ATOM 873 O MET X 60 35.970 7.260 13.539 1.00 0.00 O ATOM 874 CB MET X 60 37.594 6.126 16.046 1.00 0.00 C ATOM 875 CG MET X 60 37.926 6.460 17.503 1.00 0.00 C ATOM 876 SD MET X 60 39.615 5.926 17.875 1.00 0.00 S ATOM 877 CE MET X 60 40.468 7.128 16.828 1.00 0.00 C ATOM 0 H MET X 60 35.806 4.792 17.071 1.00 0.00 H new ATOM 0 HA MET X 60 35.877 7.431 16.100 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.811 5.077 15.844 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.218 6.716 15.375 1.00 0.00 H new ATOM 0 HG2 MET X 60 37.826 7.532 17.673 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.221 5.964 18.171 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.475 7.294 17.211 1.00 0.00 H new ATOM 0 HE2 MET X 60 40.525 6.747 15.809 1.00 0.00 H new ATOM 0 HE3 MET X 60 39.918 8.069 16.833 1.00 0.00 H new ATOM 887 N TYR X 61 35.471 5.092 13.856 1.00 0.00 N ATOM 888 CA TYR X 61 35.190 4.851 12.447 1.00 0.00 C ATOM 889 C TYR X 61 33.798 5.365 12.079 1.00 0.00 C ATOM 890 O TYR X 61 33.368 5.241 10.929 1.00 0.00 O ATOM 891 CB TYR X 61 35.273 3.355 12.148 1.00 0.00 C ATOM 892 CG TYR X 61 36.521 2.785 12.783 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.423 1.714 13.673 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.773 3.335 12.481 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.578 1.188 14.264 1.00 0.00 C ATOM 896 CE2 TYR X 61 38.927 2.810 13.072 1.00 0.00 C ATOM 897 CZ TYR X 61 38.830 1.736 13.963 1.00 0.00 C ATOM 898 OH TYR X 61 39.966 1.216 14.547 1.00 0.00 O ATOM 0 H TYR X 61 35.361 4.275 14.457 1.00 0.00 H new ATOM 0 HA TYR X 61 35.932 5.385 11.853 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.390 2.846 12.534 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.291 3.189 11.071 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.457 1.291 13.906 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.847 4.164 11.792 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.503 0.359 14.952 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.893 3.234 12.840 1.00 0.00 H new ATOM 0 HH TYR X 61 40.752 1.709 14.231 1.00 0.00 H new ATOM 908 N CYS X 62 33.103 5.952 13.050 1.00 0.00 N ATOM 909 CA CYS X 62 31.770 6.489 12.808 1.00 0.00 C ATOM 910 C CYS X 62 31.858 7.892 12.212 1.00 0.00 C ATOM 911 O CYS X 62 32.833 8.610 12.435 1.00 0.00 O ATOM 912 CB CYS X 62 30.985 6.542 14.118 1.00 0.00 C ATOM 913 SG CYS X 62 30.694 4.858 14.716 1.00 0.00 S ATOM 0 H CYS X 62 33.440 6.067 14.006 1.00 0.00 H new ATOM 0 HA CYS X 62 31.258 5.836 12.101 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.539 7.113 14.863 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.035 7.054 13.965 1.00 0.00 H new ATOM 918 N ALA X 63 30.837 8.275 11.452 1.00 0.00 N ATOM 919 CA ALA X 63 30.805 9.586 10.829 1.00 0.00 C ATOM 920 C ALA X 63 30.568 10.671 11.879 1.00 0.00 C ATOM 921 O ALA X 63 30.041 10.399 12.958 1.00 0.00 O ATOM 922 CB ALA X 63 29.698 9.639 9.775 1.00 0.00 C ATOM 0 H ALA X 63 30.023 7.693 11.255 1.00 0.00 H new ATOM 0 HA ALA X 63 31.767 9.764 10.349 1.00 0.00 H new ATOM 0 HB1 ALA X 63 29.682 10.626 9.313 1.00 0.00 H new ATOM 0 HB2 ALA X 63 29.886 8.884 9.011 1.00 0.00 H new ATOM 0 HB3 ALA X 63 28.736 9.444 10.248 1.00 0.00 H new