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= -0.0381 K(o=-0.038,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= -0.0996 (180deg=-0.912) USER MOD Single : X 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 33.949 -10.038 16.873 1.00 0.00 N ATOM 61 CA LEU X 6 33.229 -9.515 15.720 1.00 0.00 C ATOM 62 C LEU X 6 34.123 -9.539 14.482 1.00 0.00 C ATOM 63 O LEU X 6 35.271 -9.099 14.526 1.00 0.00 O ATOM 64 CB LEU X 6 32.771 -8.082 15.994 1.00 0.00 C ATOM 65 CG LEU X 6 32.179 -7.991 17.400 1.00 0.00 C ATOM 66 CD1 LEU X 6 33.207 -7.372 18.352 1.00 0.00 C ATOM 67 CD2 LEU X 6 30.924 -7.115 17.365 1.00 0.00 C ATOM 0 HA LEU X 6 32.357 -10.144 15.541 1.00 0.00 H new ATOM 0 HB2 LEU X 6 33.613 -7.396 15.898 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.028 -7.780 15.256 1.00 0.00 H new ATOM 0 HG LEU X 6 31.919 -8.990 17.750 1.00 0.00 H new ATOM 0 HD11 LEU X 6 32.783 -7.308 19.354 1.00 0.00 H new ATOM 0 HD12 LEU X 6 34.102 -7.994 18.376 1.00 0.00 H new ATOM 0 HD13 LEU X 6 33.469 -6.373 18.005 1.00 0.00 H new ATOM 0 HD21 LEU X 6 30.499 -7.048 18.367 1.00 0.00 H new ATOM 0 HD22 LEU X 6 31.187 -6.117 17.015 1.00 0.00 H new ATOM 0 HD23 LEU X 6 30.191 -7.556 16.689 1.00 0.00 H new ATOM 79 N CYS X 7 33.588 -10.061 13.385 1.00 0.00 N ATOM 80 CA CYS X 7 34.341 -10.147 12.141 1.00 0.00 C ATOM 81 C CYS X 7 33.403 -10.362 10.953 1.00 0.00 C ATOM 82 O CYS X 7 32.372 -11.037 11.067 1.00 0.00 O ATOM 83 CB CYS X 7 35.346 -11.299 12.222 1.00 0.00 C ATOM 84 SG CYS X 7 36.429 -11.265 10.770 1.00 0.00 S ATOM 0 H CYS X 7 32.639 -10.430 13.332 1.00 0.00 H new ATOM 0 HA CYS X 7 34.875 -9.208 11.995 1.00 0.00 H new ATOM 0 HB2 CYS X 7 35.939 -11.214 13.133 1.00 0.00 H new ATOM 0 HB3 CYS X 7 34.819 -12.252 12.273 1.00 0.00 H new ATOM 89 N GLY X 8 33.768 -9.791 9.811 1.00 0.00 N ATOM 90 CA GLY X 8 32.959 -9.929 8.608 1.00 0.00 C ATOM 91 C GLY X 8 31.568 -9.338 8.805 1.00 0.00 C ATOM 92 O GLY X 8 31.424 -8.192 9.233 1.00 0.00 O ATOM 0 H GLY X 8 34.613 -9.232 9.694 1.00 0.00 H new ATOM 0 HA2 GLY X 8 33.454 -9.430 7.775 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.874 -10.983 8.343 1.00 0.00 H new ATOM 96 N ALA X 9 30.549 -10.123 8.483 1.00 0.00 N ATOM 97 CA ALA X 9 29.174 -9.668 8.623 1.00 0.00 C ATOM 98 C ALA X 9 28.870 -9.316 10.074 1.00 0.00 C ATOM 99 O ALA X 9 28.133 -8.369 10.349 1.00 0.00 O ATOM 100 CB ALA X 9 28.207 -10.756 8.150 1.00 0.00 C ATOM 0 H ALA X 9 30.648 -11.073 8.125 1.00 0.00 H new ATOM 0 HA ALA X 9 29.046 -8.777 8.008 1.00 0.00 H new ATOM 0 HB1 ALA X 9 27.181 -10.404 8.260 1.00 0.00 H new ATOM 0 HB2 ALA X 9 28.402 -10.986 7.102 1.00 0.00 H new ATOM 0 HB3 ALA X 9 28.348 -11.655 8.751 1.00 0.00 H new ATOM 106 N GLU X 10 29.430 -10.090 11.001 1.00 0.00 N ATOM 107 CA GLU X 10 29.189 -9.850 12.419 1.00 0.00 C ATOM 108 C GLU X 10 29.684 -8.462 12.817 1.00 0.00 C ATOM 109 O GLU X 10 29.011 -7.740 13.553 1.00 0.00 O ATOM 110 CB GLU X 10 29.917 -10.911 13.245 1.00 0.00 C ATOM 111 CG GLU X 10 29.241 -12.268 13.050 1.00 0.00 C ATOM 112 CD GLU X 10 30.073 -13.364 13.707 1.00 0.00 C ATOM 113 OE1 GLU X 10 31.177 -13.066 14.138 1.00 0.00 O ATOM 114 OE2 GLU X 10 29.600 -14.487 13.761 1.00 0.00 O ATOM 0 H GLU X 10 30.045 -10.878 10.799 1.00 0.00 H new ATOM 0 HA GLU X 10 28.117 -9.906 12.609 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.962 -10.968 12.942 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.905 -10.636 14.300 1.00 0.00 H new ATOM 0 HG2 GLU X 10 28.241 -12.251 13.483 1.00 0.00 H new ATOM 0 HG3 GLU X 10 29.125 -12.476 11.986 1.00 0.00 H new ATOM 121 N LEU X 11 30.857 -8.092 12.319 1.00 0.00 N ATOM 122 CA LEU X 11 31.424 -6.783 12.622 1.00 0.00 C ATOM 123 C LEU X 11 30.587 -5.673 12.006 1.00 0.00 C ATOM 124 O LEU X 11 30.338 -4.644 12.637 1.00 0.00 O ATOM 125 CB LEU X 11 32.859 -6.696 12.102 1.00 0.00 C ATOM 126 CG LEU X 11 33.441 -5.314 12.417 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.478 -5.099 13.931 1.00 0.00 C ATOM 128 CD2 LEU X 11 34.857 -5.224 11.859 1.00 0.00 C ATOM 0 H LEU X 11 31.431 -8.674 11.708 1.00 0.00 H new ATOM 0 HA LEU X 11 31.425 -6.657 13.705 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.470 -7.472 12.563 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.877 -6.872 11.026 1.00 0.00 H new ATOM 0 HG LEU X 11 32.815 -4.547 11.960 1.00 0.00 H new ATOM 0 HD11 LEU X 11 33.893 -4.115 14.149 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.467 -5.164 14.332 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.101 -5.865 14.392 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.274 -4.242 12.081 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.478 -5.994 12.317 1.00 0.00 H new ATOM 0 HD23 LEU X 11 34.833 -5.372 10.779 1.00 0.00 H new ATOM 140 N VAL X 12 30.160 -5.883 10.768 1.00 0.00 N ATOM 141 CA VAL X 12 29.353 -4.889 10.072 1.00 0.00 C ATOM 142 C VAL X 12 28.079 -4.590 10.844 1.00 0.00 C ATOM 143 O VAL X 12 27.686 -3.431 10.996 1.00 0.00 O ATOM 144 CB VAL X 12 29.002 -5.398 8.670 1.00 0.00 C ATOM 145 CG1 VAL X 12 27.847 -4.572 8.098 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.221 -5.236 7.755 1.00 0.00 C ATOM 0 H VAL X 12 30.357 -6.726 10.228 1.00 0.00 H new ATOM 0 HA VAL X 12 29.931 -3.969 9.992 1.00 0.00 H new ATOM 0 HB VAL X 12 28.712 -6.447 8.730 1.00 0.00 H new ATOM 0 HG11 VAL X 12 27.599 -4.935 7.101 1.00 0.00 H new ATOM 0 HG12 VAL X 12 26.976 -4.667 8.746 1.00 0.00 H new ATOM 0 HG13 VAL X 12 28.143 -3.525 8.039 1.00 0.00 H new ATOM 0 HG21 VAL X 12 29.977 -5.597 6.756 1.00 0.00 H new ATOM 0 HG22 VAL X 12 30.499 -4.183 7.703 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.055 -5.812 8.155 1.00 0.00 H new ATOM 156 N ASP X 13 27.431 -5.640 11.331 1.00 0.00 N ATOM 157 CA ASP X 13 26.196 -5.473 12.085 1.00 0.00 C ATOM 158 C ASP X 13 26.451 -4.663 13.353 1.00 0.00 C ATOM 159 O ASP X 13 25.687 -3.758 13.687 1.00 0.00 O ATOM 160 CB ASP X 13 25.627 -6.844 12.459 1.00 0.00 C ATOM 161 CG ASP X 13 24.260 -6.683 13.116 1.00 0.00 C ATOM 162 OD1 ASP X 13 23.864 -5.551 13.343 1.00 0.00 O ATOM 163 OD2 ASP X 13 23.629 -7.692 13.381 1.00 0.00 O ATOM 0 H ASP X 13 27.736 -6.607 11.219 1.00 0.00 H new ATOM 0 HA ASP X 13 25.478 -4.938 11.463 1.00 0.00 H new ATOM 0 HB2 ASP X 13 25.540 -7.466 11.568 1.00 0.00 H new ATOM 0 HB3 ASP X 13 26.308 -7.356 13.139 1.00 0.00 H new ATOM 168 N ALA X 14 27.532 -4.993 14.055 1.00 0.00 N ATOM 169 CA ALA X 14 27.876 -4.285 15.282 1.00 0.00 C ATOM 170 C ALA X 14 28.162 -2.816 14.999 1.00 0.00 C ATOM 171 O ALA X 14 27.748 -1.939 15.755 1.00 0.00 O ATOM 172 CB ALA X 14 29.100 -4.925 15.929 1.00 0.00 C ATOM 0 H ALA X 14 28.178 -5.739 13.798 1.00 0.00 H new ATOM 0 HA ALA X 14 27.026 -4.352 15.962 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.349 -4.389 16.845 1.00 0.00 H new ATOM 0 HB2 ALA X 14 28.884 -5.967 16.165 1.00 0.00 H new ATOM 0 HB3 ALA X 14 29.943 -4.877 15.240 1.00 0.00 H new ATOM 178 N LEU X 15 28.871 -2.557 13.904 1.00 0.00 N ATOM 179 CA LEU X 15 29.206 -1.186 13.532 1.00 0.00 C ATOM 180 C LEU X 15 27.941 -0.372 13.296 1.00 0.00 C ATOM 181 O LEU X 15 27.835 0.768 13.750 1.00 0.00 O ATOM 182 CB LEU X 15 30.059 -1.190 12.260 1.00 0.00 C ATOM 183 CG LEU X 15 31.472 -1.678 12.590 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.198 -2.053 11.297 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.242 -0.550 13.288 1.00 0.00 C ATOM 0 H LEU X 15 29.222 -3.270 13.265 1.00 0.00 H new ATOM 0 HA LEU X 15 29.768 -0.731 14.348 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.606 -1.837 11.509 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.100 -0.187 11.834 1.00 0.00 H new ATOM 0 HG LEU X 15 31.414 -2.549 13.242 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.204 -2.400 11.532 1.00 0.00 H new ATOM 0 HD12 LEU X 15 31.650 -2.846 10.789 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.258 -1.180 10.647 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.250 -0.891 13.526 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.298 0.315 12.627 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.726 -0.272 14.207 1.00 0.00 H new ATOM 197 N GLN X 16 26.979 -0.966 12.599 1.00 0.00 N ATOM 198 CA GLN X 16 25.720 -0.285 12.326 1.00 0.00 C ATOM 199 C GLN X 16 24.959 -0.037 13.623 1.00 0.00 C ATOM 200 O GLN X 16 24.380 1.027 13.819 1.00 0.00 O ATOM 201 CB GLN X 16 24.866 -1.127 11.379 1.00 0.00 C ATOM 202 CG GLN X 16 25.502 -1.134 9.988 1.00 0.00 C ATOM 203 CD GLN X 16 24.788 -2.142 9.095 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.247 -3.134 9.585 1.00 0.00 O ATOM 205 NE2 GLN X 16 24.756 -1.950 7.805 1.00 0.00 N ATOM 0 H GLN X 16 27.046 -1.909 12.216 1.00 0.00 H new ATOM 0 HA GLN X 16 25.938 0.674 11.857 1.00 0.00 H new ATOM 0 HB2 GLN X 16 24.782 -2.146 11.757 1.00 0.00 H new ATOM 0 HB3 GLN X 16 23.855 -0.722 11.326 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.443 -0.139 9.547 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.559 -1.387 10.064 1.00 0.00 H new ATOM 0 HE21 GLN X 16 25.204 -1.128 7.400 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.283 -2.622 7.201 1.00 0.00 H new ATOM 214 N PHE X 17 24.972 -1.027 14.509 1.00 0.00 N ATOM 215 CA PHE X 17 24.285 -0.899 15.789 1.00 0.00 C ATOM 216 C PHE X 17 24.855 0.256 16.604 1.00 0.00 C ATOM 217 O PHE X 17 24.113 1.098 17.111 1.00 0.00 O ATOM 218 CB PHE X 17 24.430 -2.196 16.584 1.00 0.00 C ATOM 219 CG PHE X 17 23.968 -1.973 18.005 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.611 -2.086 18.335 1.00 0.00 C ATOM 221 CD2 PHE X 17 24.906 -1.643 18.995 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.190 -1.874 19.655 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.484 -1.432 20.314 1.00 0.00 C ATOM 224 CZ PHE X 17 23.127 -1.547 20.644 1.00 0.00 C ATOM 0 H PHE X 17 25.446 -1.919 14.367 1.00 0.00 H new ATOM 0 HA PHE X 17 23.232 -0.699 15.590 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.841 -2.987 16.119 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.469 -2.525 16.576 1.00 0.00 H new ATOM 0 HD1 PHE X 17 21.889 -2.337 17.572 1.00 0.00 H new ATOM 0 HD2 PHE X 17 25.952 -1.552 18.741 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.144 -1.963 19.910 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.205 -1.180 21.077 1.00 0.00 H new ATOM 0 HZ PHE X 17 22.803 -1.383 21.661 1.00 0.00 H new ATOM 234 N VAL X 18 26.175 0.280 16.737 1.00 0.00 N ATOM 235 CA VAL X 18 26.838 1.327 17.506 1.00 0.00 C ATOM 236 C VAL X 18 26.647 2.687 16.846 1.00 0.00 C ATOM 237 O VAL X 18 26.368 3.683 17.516 1.00 0.00 O ATOM 238 CB VAL X 18 28.329 1.019 17.628 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.039 2.198 18.294 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.525 -0.237 18.475 1.00 0.00 C ATOM 0 H VAL X 18 26.805 -0.409 16.325 1.00 0.00 H new ATOM 0 HA VAL X 18 26.391 1.357 18.500 1.00 0.00 H new ATOM 0 HB VAL X 18 28.747 0.855 16.635 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.103 1.979 18.382 1.00 0.00 H new ATOM 0 HG12 VAL X 18 28.901 3.094 17.689 1.00 0.00 H new ATOM 0 HG13 VAL X 18 28.619 2.362 19.287 1.00 0.00 H new ATOM 0 HG21 VAL X 18 29.589 -0.455 18.561 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.106 -0.075 19.468 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.019 -1.078 18.001 1.00 0.00 H new ATOM 250 N CYS X 19 26.814 2.727 15.528 1.00 0.00 N ATOM 251 CA CYS X 19 26.670 3.972 14.784 1.00 0.00 C ATOM 252 C CYS X 19 25.548 3.864 13.757 1.00 0.00 C ATOM 253 O CYS X 19 25.782 3.979 12.555 1.00 0.00 O ATOM 254 CB CYS X 19 27.986 4.307 14.077 1.00 0.00 C ATOM 255 SG CYS X 19 29.294 4.490 15.314 1.00 0.00 S ATOM 0 H CYS X 19 27.048 1.916 14.956 1.00 0.00 H new ATOM 0 HA CYS X 19 26.420 4.767 15.487 1.00 0.00 H new ATOM 0 HB2 CYS X 19 28.245 3.518 13.371 1.00 0.00 H new ATOM 0 HB3 CYS X 19 27.880 5.227 13.503 1.00 0.00 H new ATOM 260 N GLY X 20 24.330 3.646 14.238 1.00 0.00 N ATOM 261 CA GLY X 20 23.179 3.529 13.349 1.00 0.00 C ATOM 262 C GLY X 20 22.946 4.821 12.577 1.00 0.00 C ATOM 263 O GLY X 20 22.642 4.795 11.384 1.00 0.00 O ATOM 0 H GLY X 20 24.114 3.547 15.230 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.338 2.708 12.650 1.00 0.00 H new ATOM 0 HA3 GLY X 20 22.290 3.284 13.931 1.00 0.00 H new ATOM 267 N ASP X 21 23.084 5.949 13.265 1.00 0.00 N ATOM 268 CA ASP X 21 22.881 7.245 12.631 1.00 0.00 C ATOM 269 C ASP X 21 24.213 7.872 12.231 1.00 0.00 C ATOM 270 O ASP X 21 24.332 8.473 11.163 1.00 0.00 O ATOM 271 CB ASP X 21 22.150 8.182 13.594 1.00 0.00 C ATOM 272 CG ASP X 21 20.714 7.707 13.797 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.265 6.891 13.008 1.00 0.00 O ATOM 274 OD2 ASP X 21 20.087 8.164 14.737 1.00 0.00 O ATOM 0 H ASP X 21 23.333 5.992 14.253 1.00 0.00 H new ATOM 0 HA ASP X 21 22.282 7.095 11.732 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.671 8.211 14.551 1.00 0.00 H new ATOM 0 HB3 ASP X 21 22.153 9.198 13.198 1.00 0.00 H new ATOM 279 N ARG X 22 25.213 7.729 13.096 1.00 0.00 N ATOM 280 CA ARG X 22 26.531 8.287 12.821 1.00 0.00 C ATOM 281 C ARG X 22 27.155 7.621 11.600 1.00 0.00 C ATOM 282 O ARG X 22 27.781 8.283 10.770 1.00 0.00 O ATOM 283 CB ARG X 22 27.442 8.104 14.043 1.00 0.00 C ATOM 284 CG ARG X 22 26.969 8.999 15.174 1.00 0.00 C ATOM 285 CD ARG X 22 27.898 8.816 16.370 1.00 0.00 C ATOM 286 NE ARG X 22 27.399 9.570 17.498 1.00 0.00 N ATOM 287 CZ ARG X 22 28.066 9.617 18.657 1.00 0.00 C ATOM 288 NH1 ARG X 22 29.201 8.979 18.794 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.585 10.300 19.668 1.00 0.00 N ATOM 0 H ARG X 22 25.136 7.236 13.986 1.00 0.00 H new ATOM 0 HA ARG X 22 26.419 9.351 12.613 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.432 7.062 14.363 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.472 8.347 13.780 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.967 10.041 14.854 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.945 8.748 15.450 1.00 0.00 H new ATOM 0 HD2 ARG X 22 27.968 7.760 16.629 1.00 0.00 H new ATOM 0 HD3 ARG X 22 28.904 9.149 16.115 1.00 0.00 H new ATOM 0 HE ARG X 22 26.519 10.078 17.408 1.00 0.00 H new ATOM 0 HH11 ARG X 22 29.582 8.442 18.015 1.00 0.00 H new ATOM 0 HH12 ARG X 22 29.705 9.019 19.680 1.00 0.00 H new ATOM 0 HH21 ARG X 22 26.700 10.798 19.572 1.00 0.00 H new ATOM 0 HH22 ARG X 22 28.096 10.334 20.550 1.00 0.00 H new ATOM 303 N GLY X 23 26.977 6.309 11.489 1.00 0.00 N ATOM 304 CA GLY X 23 27.521 5.566 10.358 1.00 0.00 C ATOM 305 C GLY X 23 29.032 5.415 10.484 1.00 0.00 C ATOM 306 O GLY X 23 29.630 5.843 11.473 1.00 0.00 O ATOM 0 H GLY X 23 26.464 5.741 12.163 1.00 0.00 H new ATOM 0 HA2 GLY X 23 27.056 4.582 10.307 1.00 0.00 H new ATOM 0 HA3 GLY X 23 27.279 6.082 9.429 1.00 0.00 H new ATOM 310 N PHE X 24 29.645 4.811 9.470 1.00 0.00 N ATOM 311 CA PHE X 24 31.091 4.610 9.469 1.00 0.00 C ATOM 312 C PHE X 24 31.611 4.448 8.049 1.00 0.00 C ATOM 313 O PHE X 24 30.843 4.195 7.121 1.00 0.00 O ATOM 314 CB PHE X 24 31.448 3.381 10.304 1.00 0.00 C ATOM 315 CG PHE X 24 30.762 2.168 9.731 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.428 1.357 8.806 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.454 1.860 10.120 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.785 0.236 8.273 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.811 0.738 9.587 1.00 0.00 C ATOM 320 CZ PHE X 24 29.476 -0.074 8.663 1.00 0.00 C ATOM 0 H PHE X 24 29.167 4.454 8.643 1.00 0.00 H new ATOM 0 HA PHE X 24 31.563 5.489 9.908 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.528 3.233 10.309 1.00 0.00 H new ATOM 0 HB3 PHE X 24 31.142 3.530 11.339 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.437 1.596 8.504 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.940 2.489 10.832 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.298 -0.392 7.560 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.802 0.499 9.889 1.00 0.00 H new ATOM 0 HZ PHE X 24 28.980 -0.940 8.250 1.00 0.00 H new ATOM 330 N TYR X 25 32.920 4.602 7.884 1.00 0.00 N ATOM 331 CA TYR X 25 33.529 4.477 6.565 1.00 0.00 C ATOM 332 C TYR X 25 34.912 3.843 6.671 1.00 0.00 C ATOM 333 O TYR X 25 35.462 3.715 7.765 1.00 0.00 O ATOM 334 CB TYR X 25 33.655 5.855 5.906 1.00 0.00 C ATOM 335 CG TYR X 25 34.717 6.664 6.617 1.00 0.00 C ATOM 336 CD1 TYR X 25 36.051 6.585 6.198 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.370 7.487 7.695 1.00 0.00 C ATOM 338 CE1 TYR X 25 37.037 7.326 6.853 1.00 0.00 C ATOM 339 CE2 TYR X 25 35.359 8.232 8.351 1.00 0.00 C ATOM 340 CZ TYR X 25 36.693 8.150 7.931 1.00 0.00 C ATOM 341 OH TYR X 25 37.665 8.884 8.578 1.00 0.00 O ATOM 0 H TYR X 25 33.574 4.811 8.638 1.00 0.00 H new ATOM 0 HA TYR X 25 32.889 3.839 5.955 1.00 0.00 H new ATOM 0 HB2 TYR X 25 33.913 5.743 4.853 1.00 0.00 H new ATOM 0 HB3 TYR X 25 32.699 6.377 5.946 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.318 5.950 5.366 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.342 7.548 8.020 1.00 0.00 H new ATOM 0 HE1 TYR X 25 38.065 7.263 6.528 1.00 0.00 H new ATOM 0 HE2 TYR X 25 35.093 8.870 9.181 1.00 0.00 H new ATOM 0 HH TYR X 25 37.256 9.403 9.302 1.00 0.00 H new ATOM 613 N ILE X 44 40.274 -1.410 9.722 1.00 0.00 N ATOM 614 CA ILE X 44 39.522 -1.472 10.971 1.00 0.00 C ATOM 615 C ILE X 44 38.927 -2.863 11.165 1.00 0.00 C ATOM 616 O ILE X 44 38.783 -3.336 12.295 1.00 0.00 O ATOM 617 CB ILE X 44 38.401 -0.423 10.960 1.00 0.00 C ATOM 618 CG1 ILE X 44 37.341 -0.802 9.916 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.989 0.948 10.612 1.00 0.00 C ATOM 620 CD1 ILE X 44 36.212 0.225 9.933 1.00 0.00 C ATOM 0 HA ILE X 44 40.201 -1.263 11.797 1.00 0.00 H new ATOM 0 HB ILE X 44 37.937 -0.385 11.946 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.792 -0.845 8.925 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.945 -1.795 10.129 1.00 0.00 H new ATOM 0 HG21 ILE X 44 38.194 1.693 10.604 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.737 1.223 11.356 1.00 0.00 H new ATOM 0 HG23 ILE X 44 39.456 0.905 9.628 1.00 0.00 H new ATOM 0 HD11 ILE X 44 35.461 -0.047 9.191 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.754 0.246 10.922 1.00 0.00 H new ATOM 0 HD13 ILE X 44 36.613 1.211 9.699 1.00 0.00 H new ATOM 632 N VAL X 45 38.578 -3.506 10.052 1.00 0.00 N ATOM 633 CA VAL X 45 37.999 -4.839 10.103 1.00 0.00 C ATOM 634 C VAL X 45 38.994 -5.843 10.645 1.00 0.00 C ATOM 635 O VAL X 45 38.654 -6.669 11.485 1.00 0.00 O ATOM 636 CB VAL X 45 37.539 -5.272 8.714 1.00 0.00 C ATOM 637 CG1 VAL X 45 37.160 -6.756 8.740 1.00 0.00 C ATOM 638 CG2 VAL X 45 36.320 -4.443 8.300 1.00 0.00 C ATOM 0 H VAL X 45 38.687 -3.125 9.112 1.00 0.00 H new ATOM 0 HA VAL X 45 37.140 -4.804 10.773 1.00 0.00 H new ATOM 0 HB VAL X 45 38.347 -5.116 7.999 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.831 -7.065 7.748 1.00 0.00 H new ATOM 0 HG12 VAL X 45 38.026 -7.348 9.036 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.352 -6.913 9.455 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.990 -4.751 7.308 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.513 -4.600 9.016 1.00 0.00 H new ATOM 0 HG23 VAL X 45 36.588 -3.387 8.281 1.00 0.00 H new ATOM 648 N ASP X 46 40.220 -5.770 10.151 1.00 0.00 N ATOM 649 CA ASP X 46 41.263 -6.684 10.587 1.00 0.00 C ATOM 650 C ASP X 46 41.554 -6.494 12.069 1.00 0.00 C ATOM 651 O ASP X 46 41.802 -7.457 12.783 1.00 0.00 O ATOM 652 CB ASP X 46 42.540 -6.442 9.786 1.00 0.00 C ATOM 653 CG ASP X 46 42.360 -6.926 8.353 1.00 0.00 C ATOM 654 OD1 ASP X 46 41.389 -7.619 8.102 1.00 0.00 O ATOM 655 OD2 ASP X 46 43.196 -6.597 7.529 1.00 0.00 O ATOM 0 H ASP X 46 40.516 -5.090 9.451 1.00 0.00 H new ATOM 0 HA ASP X 46 40.916 -7.704 10.420 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.786 -5.380 9.791 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.375 -6.965 10.252 1.00 0.00 H new ATOM 660 N GLU X 47 41.549 -5.247 12.528 1.00 0.00 N ATOM 661 CA GLU X 47 41.843 -4.980 13.932 1.00 0.00 C ATOM 662 C GLU X 47 40.812 -5.636 14.848 1.00 0.00 C ATOM 663 O GLU X 47 41.175 -6.350 15.782 1.00 0.00 O ATOM 664 CB GLU X 47 41.822 -3.467 14.165 1.00 0.00 C ATOM 665 CG GLU X 47 42.129 -3.161 15.633 1.00 0.00 C ATOM 666 CD GLU X 47 43.532 -3.645 15.978 1.00 0.00 C ATOM 667 OE1 GLU X 47 44.317 -3.820 15.061 1.00 0.00 O ATOM 668 OE2 GLU X 47 43.799 -3.835 17.152 1.00 0.00 O ATOM 0 H GLU X 47 41.349 -4.421 11.963 1.00 0.00 H new ATOM 0 HA GLU X 47 42.824 -5.394 14.164 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.556 -2.981 13.522 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.846 -3.063 13.897 1.00 0.00 H new ATOM 0 HG2 GLU X 47 42.049 -2.089 15.815 1.00 0.00 H new ATOM 0 HG3 GLU X 47 41.397 -3.649 16.277 1.00 0.00 H new ATOM 675 N CYS X 48 39.538 -5.398 14.574 1.00 0.00 N ATOM 676 CA CYS X 48 38.475 -5.975 15.387 1.00 0.00 C ATOM 677 C CYS X 48 38.360 -7.481 15.147 1.00 0.00 C ATOM 678 O CYS X 48 38.151 -8.260 16.076 1.00 0.00 O ATOM 679 CB CYS X 48 37.145 -5.309 15.054 1.00 0.00 C ATOM 680 SG CYS X 48 37.173 -3.596 15.629 1.00 0.00 S ATOM 0 H CYS X 48 39.216 -4.815 13.802 1.00 0.00 H new ATOM 0 HA CYS X 48 38.720 -5.804 16.435 1.00 0.00 H new ATOM 0 HB2 CYS X 48 36.969 -5.341 13.979 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.326 -5.850 15.528 1.00 0.00 H new ATOM 685 N CYS X 49 38.490 -7.881 13.885 1.00 0.00 N ATOM 686 CA CYS X 49 38.384 -9.287 13.519 1.00 0.00 C ATOM 687 C CYS X 49 39.465 -10.109 14.203 1.00 0.00 C ATOM 688 O CYS X 49 39.186 -11.157 14.789 1.00 0.00 O ATOM 689 CB CYS X 49 38.507 -9.444 11.998 1.00 0.00 C ATOM 690 SG CYS X 49 38.295 -11.183 11.547 1.00 0.00 S ATOM 0 H CYS X 49 38.668 -7.252 13.102 1.00 0.00 H new ATOM 0 HA CYS X 49 37.410 -9.650 13.846 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.755 -8.834 11.498 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.481 -9.087 11.663 1.00 0.00 H new ATOM 695 N PHE X 50 40.705 -9.629 14.131 1.00 0.00 N ATOM 696 CA PHE X 50 41.818 -10.336 14.751 1.00 0.00 C ATOM 697 C PHE X 50 41.946 -9.940 16.217 1.00 0.00 C ATOM 698 O PHE X 50 41.711 -10.751 17.119 1.00 0.00 O ATOM 699 CB PHE X 50 43.118 -10.001 14.008 1.00 0.00 C ATOM 700 CG PHE X 50 43.133 -10.728 12.680 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.419 -10.206 11.591 1.00 0.00 C ATOM 702 CD2 PHE X 50 43.864 -11.910 12.537 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.434 -10.868 10.360 1.00 0.00 C ATOM 704 CE2 PHE X 50 43.880 -12.575 11.306 1.00 0.00 C ATOM 705 CZ PHE X 50 43.165 -12.055 10.217 1.00 0.00 C ATOM 0 H PHE X 50 40.960 -8.764 13.655 1.00 0.00 H new ATOM 0 HA PHE X 50 41.632 -11.408 14.693 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.193 -8.925 13.848 1.00 0.00 H new ATOM 0 HB3 PHE X 50 43.980 -10.295 14.607 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.857 -9.291 11.704 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.416 -12.310 13.375 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.884 -10.466 9.522 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.443 -13.490 11.194 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.178 -12.570 9.268 1.00 0.00 H new ATOM 715 N ARG X 51 42.313 -8.682 16.452 1.00 0.00 N ATOM 716 CA ARG X 51 42.465 -8.180 17.813 1.00 0.00 C ATOM 717 C ARG X 51 41.108 -7.803 18.399 1.00 0.00 C ATOM 718 O ARG X 51 40.135 -7.625 17.668 1.00 0.00 O ATOM 719 CB ARG X 51 43.385 -6.955 17.826 1.00 0.00 C ATOM 720 CG ARG X 51 44.815 -7.386 17.507 1.00 0.00 C ATOM 721 CD ARG X 51 45.729 -6.159 17.511 1.00 0.00 C ATOM 722 NE ARG X 51 47.100 -6.557 17.214 1.00 0.00 N ATOM 723 CZ ARG X 51 47.891 -7.079 18.155 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.451 -7.253 19.376 1.00 0.00 N ATOM 725 NH2 ARG X 51 49.115 -7.423 17.855 1.00 0.00 N ATOM 0 H ARG X 51 42.509 -7.997 15.722 1.00 0.00 H new ATOM 0 HA ARG X 51 42.907 -8.970 18.421 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.043 -6.223 17.094 1.00 0.00 H new ATOM 0 HB3 ARG X 51 43.349 -6.471 18.802 1.00 0.00 H new ATOM 0 HG2 ARG X 51 45.160 -8.113 18.243 1.00 0.00 H new ATOM 0 HG3 ARG X 51 44.850 -7.876 16.534 1.00 0.00 H new ATOM 0 HD2 ARG X 51 45.384 -5.436 16.772 1.00 0.00 H new ATOM 0 HD3 ARG X 51 45.687 -5.667 18.483 1.00 0.00 H new ATOM 0 HE ARG X 51 47.462 -6.434 16.268 1.00 0.00 H new ATOM 0 HH11 ARG X 51 46.495 -6.989 19.616 1.00 0.00 H new ATOM 0 HH12 ARG X 51 48.064 -7.653 20.087 1.00 0.00 H new ATOM 0 HH21 ARG X 51 49.463 -7.293 16.905 1.00 0.00 H new ATOM 0 HH22 ARG X 51 49.723 -7.822 18.571 1.00 0.00 H new ATOM 739 N SER X 52 41.047 -7.682 19.720 1.00 0.00 N ATOM 740 CA SER X 52 39.800 -7.321 20.380 1.00 0.00 C ATOM 741 C SER X 52 39.709 -5.807 20.553 1.00 0.00 C ATOM 742 O SER X 52 40.172 -5.258 21.552 1.00 0.00 O ATOM 743 CB SER X 52 39.723 -7.997 21.749 1.00 0.00 C ATOM 744 OG SER X 52 38.526 -7.601 22.403 1.00 0.00 O ATOM 0 H SER X 52 41.837 -7.827 20.348 1.00 0.00 H new ATOM 0 HA SER X 52 38.968 -7.657 19.761 1.00 0.00 H new ATOM 0 HB2 SER X 52 39.746 -9.081 21.634 1.00 0.00 H new ATOM 0 HB3 SER X 52 40.588 -7.722 22.352 1.00 0.00 H new ATOM 0 HG SER X 52 38.474 -8.034 23.280 1.00 0.00 H new ATOM 750 N CYS X 53 39.103 -5.140 19.577 1.00 0.00 N ATOM 751 CA CYS X 53 38.954 -3.692 19.635 1.00 0.00 C ATOM 752 C CYS X 53 37.820 -3.312 20.584 1.00 0.00 C ATOM 753 O CYS X 53 36.854 -4.058 20.745 1.00 0.00 O ATOM 754 CB CYS X 53 38.667 -3.146 18.232 1.00 0.00 C ATOM 755 SG CYS X 53 37.068 -3.757 17.645 1.00 0.00 S ATOM 0 H CYS X 53 38.710 -5.575 18.743 1.00 0.00 H new ATOM 0 HA CYS X 53 39.881 -3.257 20.009 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.665 -2.056 18.250 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.457 -3.451 17.545 1.00 0.00 H new ATOM 760 N ASP X 54 37.948 -2.148 21.211 1.00 0.00 N ATOM 761 CA ASP X 54 36.931 -1.675 22.145 1.00 0.00 C ATOM 762 C ASP X 54 35.933 -0.759 21.447 1.00 0.00 C ATOM 763 O ASP X 54 36.246 -0.125 20.440 1.00 0.00 O ATOM 764 CB ASP X 54 37.593 -0.927 23.305 1.00 0.00 C ATOM 765 CG ASP X 54 38.318 -1.913 24.218 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.075 -3.102 24.083 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.104 -1.465 25.034 1.00 0.00 O ATOM 0 H ASP X 54 38.741 -1.517 21.091 1.00 0.00 H new ATOM 0 HA ASP X 54 36.394 -2.542 22.530 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.298 -0.191 22.918 1.00 0.00 H new ATOM 0 HB3 ASP X 54 36.840 -0.380 23.872 1.00 0.00 H new ATOM 772 N LEU X 55 34.724 -0.695 21.988 1.00 0.00 N ATOM 773 CA LEU X 55 33.681 0.148 21.412 1.00 0.00 C ATOM 774 C LEU X 55 34.085 1.614 21.470 1.00 0.00 C ATOM 775 O LEU X 55 33.796 2.387 20.554 1.00 0.00 O ATOM 776 CB LEU X 55 32.365 -0.055 22.166 1.00 0.00 C ATOM 777 CG LEU X 55 31.831 -1.465 21.891 1.00 0.00 C ATOM 778 CD1 LEU X 55 30.647 -1.750 22.819 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.369 -1.565 20.432 1.00 0.00 C ATOM 0 H LEU X 55 34.441 -1.213 22.820 1.00 0.00 H new ATOM 0 HA LEU X 55 33.546 -0.137 20.369 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.521 0.084 23.236 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.634 0.690 21.851 1.00 0.00 H new ATOM 0 HG LEU X 55 32.622 -2.193 22.072 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.266 -2.753 22.625 1.00 0.00 H new ATOM 0 HD12 LEU X 55 30.973 -1.680 23.857 1.00 0.00 H new ATOM 0 HD13 LEU X 55 29.858 -1.020 22.637 1.00 0.00 H new ATOM 0 HD21 LEU X 55 30.990 -2.568 20.238 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.579 -0.837 20.250 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.210 -1.361 19.769 1.00 0.00 H new ATOM 791 N ARG X 56 34.747 1.996 22.556 1.00 0.00 N ATOM 792 CA ARG X 56 35.172 3.375 22.726 1.00 0.00 C ATOM 793 C ARG X 56 36.060 3.799 21.563 1.00 0.00 C ATOM 794 O ARG X 56 35.945 4.917 21.077 1.00 0.00 O ATOM 795 CB ARG X 56 35.943 3.531 24.041 1.00 0.00 C ATOM 796 CG ARG X 56 36.425 4.977 24.210 1.00 0.00 C ATOM 797 CD ARG X 56 35.222 5.906 24.396 1.00 0.00 C ATOM 798 NE ARG X 56 35.673 7.280 24.542 1.00 0.00 N ATOM 799 CZ ARG X 56 36.022 8.011 23.483 1.00 0.00 C ATOM 800 NH1 ARG X 56 35.977 7.503 22.275 1.00 0.00 N ATOM 801 NH2 ARG X 56 36.417 9.244 23.650 1.00 0.00 N ATOM 0 H ARG X 56 34.998 1.374 23.325 1.00 0.00 H new ATOM 0 HA ARG X 56 34.286 4.010 22.751 1.00 0.00 H new ATOM 0 HB2 ARG X 56 35.304 3.254 24.880 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.796 2.853 24.052 1.00 0.00 H new ATOM 0 HG2 ARG X 56 37.089 5.050 25.071 1.00 0.00 H new ATOM 0 HG3 ARG X 56 37.001 5.283 23.336 1.00 0.00 H new ATOM 0 HD2 ARG X 56 34.552 5.823 23.540 1.00 0.00 H new ATOM 0 HD3 ARG X 56 34.653 5.606 25.276 1.00 0.00 H new ATOM 0 HE ARG X 56 35.724 7.693 25.473 1.00 0.00 H new ATOM 0 HH11 ARG X 56 35.673 6.539 22.138 1.00 0.00 H new ATOM 0 HH12 ARG X 56 36.246 8.072 21.472 1.00 0.00 H new ATOM 0 HH21 ARG X 56 36.458 9.644 24.587 1.00 0.00 H new ATOM 0 HH22 ARG X 56 36.685 9.807 22.843 1.00 0.00 H new ATOM 815 N ARG X 57 36.948 2.912 21.135 1.00 0.00 N ATOM 816 CA ARG X 57 37.844 3.214 20.030 1.00 0.00 C ATOM 817 C ARG X 57 37.166 2.891 18.695 1.00 0.00 C ATOM 818 O ARG X 57 37.597 3.357 17.645 1.00 0.00 O ATOM 819 CB ARG X 57 39.122 2.389 20.168 1.00 0.00 C ATOM 820 CG ARG X 57 40.305 3.217 19.683 1.00 0.00 C ATOM 821 CD ARG X 57 41.607 2.565 20.137 1.00 0.00 C ATOM 822 NE ARG X 57 41.850 1.334 19.395 1.00 0.00 N ATOM 823 CZ ARG X 57 42.921 0.580 19.639 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.788 0.930 20.556 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.110 -0.516 18.955 1.00 0.00 N ATOM 0 H ARG X 57 37.066 1.981 21.535 1.00 0.00 H new ATOM 0 HA ARG X 57 38.090 4.276 20.054 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.270 2.095 21.207 1.00 0.00 H new ATOM 0 HB3 ARG X 57 39.042 1.471 19.586 1.00 0.00 H new ATOM 0 HG2 ARG X 57 40.286 3.295 18.596 1.00 0.00 H new ATOM 0 HG3 ARG X 57 40.238 4.231 20.077 1.00 0.00 H new ATOM 0 HD2 ARG X 57 42.437 3.256 19.988 1.00 0.00 H new ATOM 0 HD3 ARG X 57 41.559 2.349 21.204 1.00 0.00 H new ATOM 0 HE ARG X 57 41.188 1.044 18.675 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.647 1.787 21.091 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.605 0.346 20.735 1.00 0.00 H new ATOM 0 HH21 ARG X 57 42.439 -0.792 18.238 1.00 0.00 H new ATOM 0 HH22 ARG X 57 43.928 -1.097 19.138 1.00 0.00 H new ATOM 839 N LEU X 58 36.117 2.079 18.747 1.00 0.00 N ATOM 840 CA LEU X 58 35.393 1.691 17.542 1.00 0.00 C ATOM 841 C LEU X 58 34.684 2.893 16.925 1.00 0.00 C ATOM 842 O LEU X 58 34.559 2.993 15.703 1.00 0.00 O ATOM 843 CB LEU X 58 34.366 0.610 17.870 1.00 0.00 C ATOM 844 CG LEU X 58 33.820 0.011 16.571 1.00 0.00 C ATOM 845 CD1 LEU X 58 34.893 -0.869 15.924 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.584 -0.835 16.876 1.00 0.00 C ATOM 0 H LEU X 58 35.749 1.677 19.609 1.00 0.00 H new ATOM 0 HA LEU X 58 36.115 1.301 16.825 1.00 0.00 H new ATOM 0 HB2 LEU X 58 34.825 -0.170 18.477 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.552 1.034 18.458 1.00 0.00 H new ATOM 0 HG LEU X 58 33.548 0.816 15.888 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.505 -1.296 14.999 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.774 -0.266 15.704 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.165 -1.673 16.608 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.197 -1.260 15.950 1.00 0.00 H new ATOM 0 HD22 LEU X 58 32.854 -1.640 17.560 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.819 -0.209 17.335 1.00 0.00 H new ATOM 858 N ASP X 59 34.199 3.791 17.777 1.00 0.00 N ATOM 859 CA ASP X 59 33.488 4.974 17.301 1.00 0.00 C ATOM 860 C ASP X 59 34.408 5.871 16.468 1.00 0.00 C ATOM 861 O ASP X 59 33.950 6.799 15.800 1.00 0.00 O ATOM 862 CB ASP X 59 32.935 5.762 18.493 1.00 0.00 C ATOM 863 CG ASP X 59 34.076 6.283 19.364 1.00 0.00 C ATOM 864 OD1 ASP X 59 35.219 6.021 19.036 1.00 0.00 O ATOM 865 OD2 ASP X 59 33.788 6.944 20.351 1.00 0.00 O ATOM 0 H ASP X 59 34.284 3.724 18.791 1.00 0.00 H new ATOM 0 HA ASP X 59 32.665 4.646 16.667 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.331 6.597 18.136 1.00 0.00 H new ATOM 0 HB3 ASP X 59 32.279 5.124 19.086 1.00 0.00 H new ATOM 870 N MET X 60 35.708 5.593 16.508 1.00 0.00 N ATOM 871 CA MET X 60 36.669 6.373 15.753 1.00 0.00 C ATOM 872 C MET X 60 36.438 6.197 14.258 1.00 0.00 C ATOM 873 O MET X 60 36.593 7.137 13.482 1.00 0.00 O ATOM 874 CB MET X 60 38.090 5.943 16.108 1.00 0.00 C ATOM 875 CG MET X 60 38.408 6.367 17.543 1.00 0.00 C ATOM 876 SD MET X 60 40.099 5.874 17.953 1.00 0.00 S ATOM 877 CE MET X 60 40.946 7.094 16.921 1.00 0.00 C ATOM 0 H MET X 60 36.114 4.834 17.055 1.00 0.00 H new ATOM 0 HA MET X 60 36.538 7.424 16.010 1.00 0.00 H new ATOM 0 HB2 MET X 60 38.190 4.862 16.006 1.00 0.00 H new ATOM 0 HB3 MET X 60 38.802 6.396 15.418 1.00 0.00 H new ATOM 0 HG2 MET X 60 38.296 7.446 17.649 1.00 0.00 H new ATOM 0 HG3 MET X 60 37.704 5.904 18.235 1.00 0.00 H new ATOM 0 HE1 MET X 60 41.927 7.311 17.345 1.00 0.00 H new ATOM 0 HE2 MET X 60 41.066 6.697 15.913 1.00 0.00 H new ATOM 0 HE3 MET X 60 40.357 8.010 16.883 1.00 0.00 H new ATOM 887 N TYR X 61 36.072 4.979 13.860 1.00 0.00 N ATOM 888 CA TYR X 61 35.824 4.686 12.455 1.00 0.00 C ATOM 889 C TYR X 61 34.457 5.220 12.022 1.00 0.00 C ATOM 890 O TYR X 61 34.143 5.245 10.828 1.00 0.00 O ATOM 891 CB TYR X 61 35.880 3.177 12.221 1.00 0.00 C ATOM 892 CG TYR X 61 37.002 2.584 13.038 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.734 1.573 13.969 1.00 0.00 C ATOM 894 CD2 TYR X 61 38.315 3.046 12.864 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.779 1.026 14.724 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.357 2.495 13.620 1.00 0.00 C ATOM 897 CZ TYR X 61 39.088 1.486 14.549 1.00 0.00 C ATOM 898 OH TYR X 61 40.115 0.943 15.295 1.00 0.00 O ATOM 0 H TYR X 61 35.942 4.186 14.488 1.00 0.00 H new ATOM 0 HA TYR X 61 36.595 5.177 11.861 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.931 2.719 12.500 1.00 0.00 H new ATOM 0 HB3 TYR X 61 36.036 2.968 11.163 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.724 1.216 14.105 1.00 0.00 H new ATOM 0 HD2 TYR X 61 38.522 3.827 12.147 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.573 0.247 15.443 1.00 0.00 H new ATOM 0 HE2 TYR X 61 40.368 2.850 13.485 1.00 0.00 H new ATOM 0 HH TYR X 61 40.960 1.374 15.050 1.00 0.00 H new ATOM 908 N CYS X 62 33.652 5.655 12.993 1.00 0.00 N ATOM 909 CA CYS X 62 32.333 6.193 12.694 1.00 0.00 C ATOM 910 C CYS X 62 32.441 7.646 12.238 1.00 0.00 C ATOM 911 O CYS X 62 33.327 8.378 12.675 1.00 0.00 O ATOM 912 CB CYS X 62 31.440 6.106 13.931 1.00 0.00 C ATOM 913 SG CYS X 62 31.010 4.378 14.252 1.00 0.00 S ATOM 0 H CYS X 62 33.892 5.644 13.984 1.00 0.00 H new ATOM 0 HA CYS X 62 31.892 5.603 11.890 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.955 6.529 14.794 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.535 6.694 13.780 1.00 0.00 H new ATOM 918 N ALA X 63 31.536 8.052 11.353 1.00 0.00 N ATOM 919 CA ALA X 63 31.540 9.406 10.839 1.00 0.00 C ATOM 920 C ALA X 63 31.109 10.392 11.927 1.00 0.00 C ATOM 921 O ALA X 63 30.403 10.027 12.866 1.00 0.00 O ATOM 922 CB ALA X 63 30.588 9.518 9.643 1.00 0.00 C ATOM 0 H ALA X 63 30.794 7.459 10.981 1.00 0.00 H new ATOM 0 HA ALA X 63 32.553 9.649 10.519 1.00 0.00 H new ATOM 0 HB1 ALA X 63 30.598 10.540 9.264 1.00 0.00 H new ATOM 0 HB2 ALA X 63 30.910 8.836 8.856 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.577 9.258 9.957 1.00 0.00 H new