USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 Set 1.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -3.16! K(o=-3.2!,f=-2.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -179:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -99:sc= 0.428 USER MOD Single : A 24 SER OG : rot 180:sc= -0.379 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-4.5!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 64:sc= 0.875 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0431 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.295 K(o=0.3,f=-2.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 105 THR OG1 : rot 165:sc= 0.48 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.460 -11.272 7.568 1.00 0.00 N ATOM 116 CA ARG A 11 -0.969 -10.168 8.373 1.00 0.00 C ATOM 117 C ARG A 11 -0.211 -8.879 8.070 1.00 0.00 C ATOM 118 O ARG A 11 0.929 -8.911 7.605 1.00 0.00 O ATOM 119 CB ARG A 11 -0.856 -10.501 9.862 1.00 0.00 C ATOM 120 CG ARG A 11 -1.718 -11.677 10.291 1.00 0.00 C ATOM 121 CD ARG A 11 -3.192 -11.303 10.328 1.00 0.00 C ATOM 122 NE ARG A 11 -4.042 -12.457 10.606 1.00 0.00 N ATOM 123 CZ ARG A 11 -4.222 -12.962 11.821 1.00 0.00 C ATOM 124 NH1 ARG A 11 -3.615 -12.417 12.866 1.00 0.00 N ATOM 125 NH2 ARG A 11 -5.012 -14.014 11.994 1.00 0.00 N ATOM 0 HA ARG A 11 -2.019 -10.020 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.185 -10.720 10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.138 -9.624 10.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.570 -12.509 9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.404 -12.020 11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.354 -10.541 11.091 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.479 -10.863 9.373 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.524 -12.900 9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.008 -11.608 12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.755 -12.807 13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.482 -14.436 11.193 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.149 -14.401 12.928 1.00 0.00 H new ATOM 139 N LEU A 12 -0.852 -7.746 8.336 1.00 0.00 N ATOM 140 CA LEU A 12 -0.238 -6.445 8.092 1.00 0.00 C ATOM 141 C LEU A 12 0.533 -5.968 9.318 1.00 0.00 C ATOM 142 O LEU A 12 0.376 -6.509 10.412 1.00 0.00 O ATOM 143 CB LEU A 12 -1.308 -5.418 7.715 1.00 0.00 C ATOM 144 CG LEU A 12 -1.813 -5.473 6.273 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.188 -4.833 6.165 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.829 -4.788 5.337 1.00 0.00 C ATOM 0 H LEU A 12 -1.796 -7.702 8.720 1.00 0.00 H new ATOM 0 HA LEU A 12 0.463 -6.550 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.160 -5.549 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.908 -4.421 7.901 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.897 -6.519 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.532 -4.881 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.889 -5.367 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.130 -3.791 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.205 -4.837 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.713 -3.745 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.137 -5.291 5.393 1.00 0.00 H new ATOM 158 N SER A 13 1.365 -4.948 9.128 1.00 0.00 N ATOM 159 CA SER A 13 2.161 -4.398 10.218 1.00 0.00 C ATOM 160 C SER A 13 1.574 -3.078 10.707 1.00 0.00 C ATOM 161 O SER A 13 0.543 -2.624 10.213 1.00 0.00 O ATOM 162 CB SER A 13 3.608 -4.190 9.766 1.00 0.00 C ATOM 163 OG SER A 13 4.506 -4.322 10.854 1.00 0.00 O ATOM 0 H SER A 13 1.505 -4.486 8.229 1.00 0.00 H new ATOM 0 HA SER A 13 2.144 -5.110 11.043 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.859 -4.917 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.715 -3.201 9.320 1.00 0.00 H new ATOM 0 HG SER A 13 5.424 -4.186 10.539 1.00 0.00 H new ATOM 169 N GLN A 14 2.240 -2.466 11.682 1.00 0.00 N ATOM 170 CA GLN A 14 1.784 -1.198 12.239 1.00 0.00 C ATOM 171 C GLN A 14 1.654 -0.140 11.148 1.00 0.00 C ATOM 172 O GLN A 14 2.653 0.324 10.596 1.00 0.00 O ATOM 173 CB GLN A 14 2.751 -0.716 13.321 1.00 0.00 C ATOM 174 CG GLN A 14 4.184 -0.565 12.834 1.00 0.00 C ATOM 175 CD GLN A 14 5.178 -0.450 13.973 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.426 -1.416 14.695 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.754 0.734 14.139 1.00 0.00 N ATOM 0 H GLN A 14 3.096 -2.828 12.102 1.00 0.00 H new ATOM 0 HA GLN A 14 0.802 -1.357 12.684 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.404 0.243 13.706 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.731 -1.419 14.154 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.445 -1.422 12.214 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.258 0.320 12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.519 1.507 13.517 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.432 0.871 14.889 1.00 0.00 H new ATOM 186 N LEU A 15 0.418 0.237 10.842 1.00 0.00 N ATOM 187 CA LEU A 15 0.156 1.241 9.816 1.00 0.00 C ATOM 188 C LEU A 15 0.295 2.649 10.385 1.00 0.00 C ATOM 189 O LEU A 15 -0.585 3.132 11.097 1.00 0.00 O ATOM 190 CB LEU A 15 -1.245 1.050 9.233 1.00 0.00 C ATOM 191 CG LEU A 15 -1.656 2.034 8.137 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.823 1.815 6.883 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.139 1.897 7.826 1.00 0.00 C ATOM 0 H LEU A 15 -0.419 -0.137 11.289 1.00 0.00 H new ATOM 0 HA LEU A 15 0.893 1.115 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.315 0.039 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.968 1.120 10.046 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.473 3.046 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.130 2.524 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.231 1.965 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.973 0.798 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.414 2.605 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.347 0.882 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.720 2.106 8.724 1.00 0.00 H new ATOM 205 N SER A 16 1.406 3.305 10.064 1.00 0.00 N ATOM 206 CA SER A 16 1.662 4.658 10.544 1.00 0.00 C ATOM 207 C SER A 16 1.551 5.668 9.406 1.00 0.00 C ATOM 208 O SER A 16 1.607 5.306 8.231 1.00 0.00 O ATOM 209 CB SER A 16 3.050 4.742 11.182 1.00 0.00 C ATOM 210 OG SER A 16 3.035 4.232 12.504 1.00 0.00 O ATOM 0 H SER A 16 2.143 2.921 9.473 1.00 0.00 H new ATOM 0 HA SER A 16 0.910 4.899 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.765 4.181 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.387 5.779 11.192 1.00 0.00 H new ATOM 0 HG SER A 16 3.934 4.295 12.889 1.00 0.00 H new ATOM 216 N VAL A 17 1.392 6.938 9.764 1.00 0.00 N ATOM 217 CA VAL A 17 1.274 8.003 8.775 1.00 0.00 C ATOM 218 C VAL A 17 2.476 8.939 8.828 1.00 0.00 C ATOM 219 O VAL A 17 2.872 9.398 9.900 1.00 0.00 O ATOM 220 CB VAL A 17 -0.013 8.824 8.985 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.061 9.997 8.017 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.240 7.940 8.826 1.00 0.00 C ATOM 0 H VAL A 17 1.342 7.255 10.732 1.00 0.00 H new ATOM 0 HA VAL A 17 1.235 7.523 7.797 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.009 9.221 10.000 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.977 10.566 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.801 10.642 8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.042 9.625 6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.140 8.536 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.253 7.512 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.208 7.137 9.563 1.00 0.00 H new ATOM 232 N THR A 18 3.053 9.219 7.664 1.00 0.00 N ATOM 233 CA THR A 18 4.211 10.100 7.577 1.00 0.00 C ATOM 234 C THR A 18 3.967 11.232 6.585 1.00 0.00 C ATOM 235 O THR A 18 3.157 11.102 5.668 1.00 0.00 O ATOM 236 CB THR A 18 5.475 9.327 7.156 1.00 0.00 C ATOM 237 OG1 THR A 18 5.405 8.995 5.765 1.00 0.00 O ATOM 238 CG2 THR A 18 5.631 8.057 7.979 1.00 0.00 C ATOM 0 H THR A 18 2.737 8.848 6.768 1.00 0.00 H new ATOM 0 HA THR A 18 4.365 10.519 8.572 1.00 0.00 H new ATOM 0 HB THR A 18 6.341 9.965 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.213 8.505 5.505 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.530 7.528 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.713 8.315 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.762 7.417 7.829 1.00 0.00 H new ATOM 246 N ASP A 19 4.674 12.340 6.775 1.00 0.00 N ATOM 247 CA ASP A 19 4.536 13.495 5.896 1.00 0.00 C ATOM 248 C ASP A 19 3.125 14.071 5.973 1.00 0.00 C ATOM 249 O ASP A 19 2.570 14.519 4.969 1.00 0.00 O ATOM 250 CB ASP A 19 4.863 13.107 4.453 1.00 0.00 C ATOM 251 CG ASP A 19 6.332 13.289 4.124 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.165 12.560 4.702 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.648 14.160 3.286 1.00 0.00 O ATOM 0 H ASP A 19 5.349 12.463 7.530 1.00 0.00 H new ATOM 0 HA ASP A 19 5.240 14.258 6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.582 12.067 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.263 13.711 3.772 1.00 0.00 H new ATOM 258 N VAL A 20 2.550 14.055 7.171 1.00 0.00 N ATOM 259 CA VAL A 20 1.204 14.576 7.379 1.00 0.00 C ATOM 260 C VAL A 20 1.059 15.975 6.792 1.00 0.00 C ATOM 261 O VAL A 20 1.524 16.956 7.373 1.00 0.00 O ATOM 262 CB VAL A 20 0.844 14.620 8.876 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.603 15.049 9.066 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.097 13.267 9.524 1.00 0.00 C ATOM 0 H VAL A 20 2.995 13.687 8.012 1.00 0.00 H new ATOM 0 HA VAL A 20 0.520 13.898 6.868 1.00 0.00 H new ATOM 0 HB VAL A 20 1.483 15.357 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.838 15.074 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.747 16.041 8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.262 14.339 8.565 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.837 13.316 10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.485 12.509 9.035 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.150 13.005 9.421 1.00 0.00 H new ATOM 274 N THR A 21 0.409 16.062 5.635 1.00 0.00 N ATOM 275 CA THR A 21 0.203 17.341 4.968 1.00 0.00 C ATOM 276 C THR A 21 -1.081 18.009 5.446 1.00 0.00 C ATOM 277 O THR A 21 -1.989 17.347 5.949 1.00 0.00 O ATOM 278 CB THR A 21 0.142 17.173 3.438 1.00 0.00 C ATOM 279 OG1 THR A 21 0.964 16.073 3.032 1.00 0.00 O ATOM 280 CG2 THR A 21 0.601 18.442 2.735 1.00 0.00 C ATOM 0 H THR A 21 0.016 15.261 5.141 1.00 0.00 H new ATOM 0 HA THR A 21 1.055 17.972 5.223 1.00 0.00 H new ATOM 0 HB THR A 21 -0.893 16.975 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.931 15.982 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.549 18.299 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.045 19.271 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.628 18.666 3.022 1.00 0.00 H new ATOM 288 N THR A 22 -1.152 19.327 5.285 1.00 0.00 N ATOM 289 CA THR A 22 -2.324 20.086 5.700 1.00 0.00 C ATOM 290 C THR A 22 -3.611 19.355 5.334 1.00 0.00 C ATOM 291 O THR A 22 -4.459 19.104 6.189 1.00 0.00 O ATOM 292 CB THR A 22 -2.343 21.487 5.060 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.815 21.425 3.730 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.532 22.471 5.888 1.00 0.00 C ATOM 0 H THR A 22 -0.410 19.891 4.870 1.00 0.00 H new ATOM 0 HA THR A 22 -2.264 20.191 6.783 1.00 0.00 H new ATOM 0 HB THR A 22 -3.376 21.832 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.832 22.319 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.560 23.453 5.416 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.954 22.538 6.891 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.499 22.128 5.952 1.00 0.00 H new ATOM 302 N SER A 23 -3.749 19.014 4.056 1.00 0.00 N ATOM 303 CA SER A 23 -4.934 18.314 3.576 1.00 0.00 C ATOM 304 C SER A 23 -4.553 16.994 2.910 1.00 0.00 C ATOM 305 O SER A 23 -5.287 16.476 2.068 1.00 0.00 O ATOM 306 CB SER A 23 -5.706 19.191 2.589 1.00 0.00 C ATOM 307 OG SER A 23 -6.399 20.228 3.262 1.00 0.00 O ATOM 0 H SER A 23 -3.055 19.211 3.335 1.00 0.00 H new ATOM 0 HA SER A 23 -5.570 18.098 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.016 19.622 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.414 18.579 2.031 1.00 0.00 H new ATOM 0 HG SER A 23 -7.337 19.970 3.383 1.00 0.00 H new ATOM 313 N SER A 24 -3.400 16.456 3.295 1.00 0.00 N ATOM 314 CA SER A 24 -2.918 15.199 2.734 1.00 0.00 C ATOM 315 C SER A 24 -1.973 14.498 3.705 1.00 0.00 C ATOM 316 O SER A 24 -1.665 15.021 4.777 1.00 0.00 O ATOM 317 CB SER A 24 -2.207 15.450 1.403 1.00 0.00 C ATOM 318 OG SER A 24 -2.852 16.474 0.665 1.00 0.00 O ATOM 0 H SER A 24 -2.782 16.871 3.993 1.00 0.00 H new ATOM 0 HA SER A 24 -3.778 14.552 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.170 15.729 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.190 14.531 0.817 1.00 0.00 H new ATOM 0 HG SER A 24 -2.377 16.616 -0.181 1.00 0.00 H new ATOM 324 N LEU A 25 -1.515 13.312 3.321 1.00 0.00 N ATOM 325 CA LEU A 25 -0.604 12.537 4.157 1.00 0.00 C ATOM 326 C LEU A 25 -0.136 11.280 3.431 1.00 0.00 C ATOM 327 O LEU A 25 -0.515 11.035 2.285 1.00 0.00 O ATOM 328 CB LEU A 25 -1.285 12.157 5.472 1.00 0.00 C ATOM 329 CG LEU A 25 -2.797 11.938 5.406 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.120 10.665 4.641 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.390 11.886 6.807 1.00 0.00 C ATOM 0 H LEU A 25 -1.759 12.866 2.437 1.00 0.00 H new ATOM 0 HA LEU A 25 0.267 13.156 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.822 11.244 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.083 12.941 6.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.243 12.779 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.201 10.526 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.730 10.741 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.662 9.813 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.467 11.730 6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.938 11.065 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.191 12.826 7.321 1.00 0.00 H new ATOM 343 N ARG A 26 0.689 10.485 4.106 1.00 0.00 N ATOM 344 CA ARG A 26 1.207 9.253 3.525 1.00 0.00 C ATOM 345 C ARG A 26 1.158 8.112 4.538 1.00 0.00 C ATOM 346 O ARG A 26 1.245 8.336 5.746 1.00 0.00 O ATOM 347 CB ARG A 26 2.644 9.457 3.041 1.00 0.00 C ATOM 348 CG ARG A 26 3.191 8.284 2.244 1.00 0.00 C ATOM 349 CD ARG A 26 4.708 8.335 2.147 1.00 0.00 C ATOM 350 NE ARG A 26 5.244 7.224 1.365 1.00 0.00 N ATOM 351 CZ ARG A 26 6.532 7.086 1.071 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.411 7.984 1.494 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.943 6.048 0.354 1.00 0.00 N ATOM 0 H ARG A 26 1.012 10.673 5.055 1.00 0.00 H new ATOM 0 HA ARG A 26 0.578 8.989 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.687 10.355 2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.288 9.631 3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.887 7.349 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.761 8.291 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.011 9.278 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.136 8.313 3.149 1.00 0.00 H new ATOM 0 HE ARG A 26 4.594 6.515 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.099 8.783 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.400 7.876 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.270 5.355 0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.932 5.943 0.129 1.00 0.00 H new ATOM 367 N LEU A 27 1.017 6.890 4.038 1.00 0.00 N ATOM 368 CA LEU A 27 0.956 5.713 4.899 1.00 0.00 C ATOM 369 C LEU A 27 2.090 4.745 4.579 1.00 0.00 C ATOM 370 O LEU A 27 2.693 4.812 3.509 1.00 0.00 O ATOM 371 CB LEU A 27 -0.393 5.009 4.738 1.00 0.00 C ATOM 372 CG LEU A 27 -1.575 5.647 5.469 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.873 5.372 4.726 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.657 5.133 6.899 1.00 0.00 C ATOM 0 H LEU A 27 0.943 6.687 3.041 1.00 0.00 H new ATOM 0 HA LEU A 27 1.066 6.042 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.631 4.962 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.288 3.982 5.087 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.420 6.725 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.703 5.834 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.812 5.789 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.035 4.296 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.504 5.597 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.789 4.051 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.737 5.382 7.428 1.00 0.00 H new ATOM 386 N ASN A 28 2.372 3.842 5.513 1.00 0.00 N ATOM 387 CA ASN A 28 3.432 2.858 5.330 1.00 0.00 C ATOM 388 C ASN A 28 3.175 1.617 6.179 1.00 0.00 C ATOM 389 O ASN A 28 3.164 1.685 7.408 1.00 0.00 O ATOM 390 CB ASN A 28 4.788 3.466 5.692 1.00 0.00 C ATOM 391 CG ASN A 28 5.139 4.658 4.823 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.861 4.530 3.835 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.626 5.827 5.189 1.00 0.00 N ATOM 0 H ASN A 28 1.881 3.772 6.404 1.00 0.00 H new ATOM 0 HA ASN A 28 3.442 2.562 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.778 3.773 6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.562 2.706 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.826 6.665 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.032 5.887 6.016 1.00 0.00 H new ATOM 400 N TRP A 29 2.969 0.485 5.515 1.00 0.00 N ATOM 401 CA TRP A 29 2.713 -0.772 6.209 1.00 0.00 C ATOM 402 C TRP A 29 3.630 -1.875 5.693 1.00 0.00 C ATOM 403 O TRP A 29 3.937 -1.932 4.503 1.00 0.00 O ATOM 404 CB TRP A 29 1.250 -1.184 6.036 1.00 0.00 C ATOM 405 CG TRP A 29 0.842 -1.338 4.602 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.828 -2.493 3.873 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.390 -0.302 3.724 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.396 -2.237 2.595 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.120 -0.900 2.478 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.186 1.073 3.869 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.343 -0.170 1.386 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.272 1.797 2.785 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.533 1.175 1.557 1.00 0.00 C ATOM 0 H TRP A 29 2.974 0.412 4.498 1.00 0.00 H new ATOM 0 HA TRP A 29 2.918 -0.622 7.269 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.081 -2.126 6.558 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.612 -0.438 6.510 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.115 -3.465 4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.297 -2.930 1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.383 1.561 4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.545 -0.648 0.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.432 2.860 2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.891 1.768 0.729 1.00 0.00 H new ATOM 424 N GLU A 30 4.062 -2.750 6.596 1.00 0.00 N ATOM 425 CA GLU A 30 4.945 -3.851 6.230 1.00 0.00 C ATOM 426 C GLU A 30 4.158 -5.149 6.071 1.00 0.00 C ATOM 427 O GLU A 30 3.376 -5.524 6.944 1.00 0.00 O ATOM 428 CB GLU A 30 6.038 -4.031 7.285 1.00 0.00 C ATOM 429 CG GLU A 30 7.014 -5.151 6.967 1.00 0.00 C ATOM 430 CD GLU A 30 7.610 -5.778 8.212 1.00 0.00 C ATOM 431 OE1 GLU A 30 6.867 -6.469 8.941 1.00 0.00 O ATOM 432 OE2 GLU A 30 8.817 -5.578 8.459 1.00 0.00 O ATOM 0 H GLU A 30 3.815 -2.718 7.585 1.00 0.00 H new ATOM 0 HA GLU A 30 5.410 -3.608 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.591 -3.097 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.571 -4.231 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.503 -5.919 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.817 -4.761 6.341 1.00 0.00 H new ATOM 439 N ALA A 31 4.372 -5.830 4.950 1.00 0.00 N ATOM 440 CA ALA A 31 3.685 -7.086 4.676 1.00 0.00 C ATOM 441 C ALA A 31 4.575 -8.038 3.884 1.00 0.00 C ATOM 442 O ALA A 31 5.342 -7.628 3.012 1.00 0.00 O ATOM 443 CB ALA A 31 2.388 -6.825 3.924 1.00 0.00 C ATOM 0 H ALA A 31 5.016 -5.533 4.217 1.00 0.00 H new ATOM 0 HA ALA A 31 3.451 -7.559 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.885 -7.772 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.740 -6.189 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.609 -6.327 2.980 1.00 0.00 H new ATOM 449 N PRO A 32 4.473 -9.339 4.192 1.00 0.00 N ATOM 450 CA PRO A 32 5.262 -10.376 3.521 1.00 0.00 C ATOM 451 C PRO A 32 4.832 -10.585 2.073 1.00 0.00 C ATOM 452 O PRO A 32 3.785 -10.106 1.636 1.00 0.00 O ATOM 453 CB PRO A 32 4.978 -11.631 4.349 1.00 0.00 C ATOM 454 CG PRO A 32 3.648 -11.380 4.972 1.00 0.00 C ATOM 455 CD PRO A 32 3.579 -9.898 5.220 1.00 0.00 C ATOM 0 HA PRO A 32 6.319 -10.114 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.960 -12.523 3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.746 -11.788 5.106 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.842 -11.703 4.314 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.542 -11.937 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.562 -9.520 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.913 -9.643 6.226 1.00 0.00 H new ATOM 463 N PRO A 33 5.657 -11.317 1.309 1.00 0.00 N ATOM 464 CA PRO A 33 5.381 -11.606 -0.101 1.00 0.00 C ATOM 465 C PRO A 33 4.209 -12.565 -0.278 1.00 0.00 C ATOM 466 O PRO A 33 3.880 -13.333 0.626 1.00 0.00 O ATOM 467 CB PRO A 33 6.679 -12.254 -0.590 1.00 0.00 C ATOM 468 CG PRO A 33 7.297 -12.836 0.634 1.00 0.00 C ATOM 469 CD PRO A 33 6.921 -11.918 1.764 1.00 0.00 C ATOM 0 HA PRO A 33 5.100 -10.709 -0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.481 -13.023 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.337 -11.520 -1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.930 -13.847 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.380 -12.904 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.793 -12.463 2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.686 -11.161 1.938 1.00 0.00 H new ATOM 477 N GLY A 34 3.580 -12.515 -1.448 1.00 0.00 N ATOM 478 CA GLY A 34 2.450 -13.384 -1.722 1.00 0.00 C ATOM 479 C GLY A 34 1.401 -13.333 -0.629 1.00 0.00 C ATOM 480 O GLY A 34 0.576 -14.237 -0.508 1.00 0.00 O ATOM 0 H GLY A 34 3.833 -11.888 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.996 -13.097 -2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.803 -14.409 -1.835 1.00 0.00 H new ATOM 484 N ALA A 35 1.434 -12.271 0.171 1.00 0.00 N ATOM 485 CA ALA A 35 0.478 -12.106 1.259 1.00 0.00 C ATOM 486 C ALA A 35 -0.879 -11.651 0.733 1.00 0.00 C ATOM 487 O ALA A 35 -1.920 -12.159 1.150 1.00 0.00 O ATOM 488 CB ALA A 35 1.010 -11.113 2.282 1.00 0.00 C ATOM 0 H ALA A 35 2.112 -11.513 0.086 1.00 0.00 H new ATOM 0 HA ALA A 35 0.345 -13.074 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.286 -10.999 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.952 -11.479 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.173 -10.148 1.802 1.00 0.00 H new ATOM 494 N PHE A 36 -0.861 -10.689 -0.184 1.00 0.00 N ATOM 495 CA PHE A 36 -2.091 -10.164 -0.765 1.00 0.00 C ATOM 496 C PHE A 36 -1.850 -9.662 -2.186 1.00 0.00 C ATOM 497 O PHE A 36 -0.781 -9.136 -2.498 1.00 0.00 O ATOM 498 CB PHE A 36 -2.646 -9.030 0.100 1.00 0.00 C ATOM 499 CG PHE A 36 -2.499 -9.275 1.575 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.455 -10.000 2.268 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.406 -8.780 2.267 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.322 -10.226 3.625 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.268 -9.004 3.624 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.227 -9.728 4.304 1.00 0.00 C ATOM 0 H PHE A 36 -0.008 -10.257 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.820 -10.974 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.135 -8.103 -0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.701 -8.889 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.313 -10.393 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.653 -8.213 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.074 -10.792 4.154 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.411 -8.613 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.121 -9.905 5.364 1.00 0.00 H new ATOM 514 N ASP A 37 -2.851 -9.830 -3.044 1.00 0.00 N ATOM 515 CA ASP A 37 -2.749 -9.395 -4.432 1.00 0.00 C ATOM 516 C ASP A 37 -2.731 -7.872 -4.524 1.00 0.00 C ATOM 517 O ASP A 37 -1.995 -7.298 -5.326 1.00 0.00 O ATOM 518 CB ASP A 37 -3.914 -9.954 -5.251 1.00 0.00 C ATOM 519 CG ASP A 37 -3.547 -10.171 -6.705 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.963 -11.230 -7.018 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.845 -9.283 -7.531 1.00 0.00 O ATOM 0 H ASP A 37 -3.742 -10.264 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.813 -9.777 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.239 -10.899 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.759 -9.268 -5.191 1.00 0.00 H new ATOM 526 N SER A 38 -3.546 -7.225 -3.698 1.00 0.00 N ATOM 527 CA SER A 38 -3.627 -5.769 -3.690 1.00 0.00 C ATOM 528 C SER A 38 -4.012 -5.254 -2.306 1.00 0.00 C ATOM 529 O SER A 38 -4.217 -6.034 -1.376 1.00 0.00 O ATOM 530 CB SER A 38 -4.644 -5.288 -4.727 1.00 0.00 C ATOM 531 OG SER A 38 -5.811 -6.092 -4.708 1.00 0.00 O ATOM 0 H SER A 38 -4.160 -7.685 -3.026 1.00 0.00 H new ATOM 0 HA SER A 38 -2.644 -5.373 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.910 -4.250 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.196 -5.315 -5.720 1.00 0.00 H new ATOM 0 HG SER A 38 -6.446 -5.763 -5.378 1.00 0.00 H new ATOM 537 N PHE A 39 -4.110 -3.935 -2.178 1.00 0.00 N ATOM 538 CA PHE A 39 -4.469 -3.314 -0.909 1.00 0.00 C ATOM 539 C PHE A 39 -5.525 -2.232 -1.112 1.00 0.00 C ATOM 540 O PHE A 39 -5.330 -1.295 -1.888 1.00 0.00 O ATOM 541 CB PHE A 39 -3.230 -2.714 -0.242 1.00 0.00 C ATOM 542 CG PHE A 39 -2.455 -3.701 0.584 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.032 -4.302 1.691 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.151 -4.029 0.252 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.322 -5.211 2.453 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.436 -4.938 1.009 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.022 -5.529 2.112 1.00 0.00 C ATOM 0 H PHE A 39 -3.946 -3.275 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.885 -4.085 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.576 -2.304 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.536 -1.882 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.048 -4.057 1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.687 -3.569 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.783 -5.672 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.580 -5.186 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.465 -6.238 2.706 1.00 0.00 H new ATOM 557 N LEU A 40 -6.646 -2.368 -0.411 1.00 0.00 N ATOM 558 CA LEU A 40 -7.735 -1.403 -0.514 1.00 0.00 C ATOM 559 C LEU A 40 -7.805 -0.527 0.732 1.00 0.00 C ATOM 560 O LEU A 40 -8.221 -0.979 1.800 1.00 0.00 O ATOM 561 CB LEU A 40 -9.067 -2.128 -0.718 1.00 0.00 C ATOM 562 CG LEU A 40 -10.122 -1.376 -1.529 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.576 -0.999 -2.897 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.385 -2.214 -1.669 1.00 0.00 C ATOM 0 H LEU A 40 -6.824 -3.137 0.235 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.541 -0.763 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.868 -3.079 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.486 -2.358 0.261 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.375 -0.459 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.341 -0.464 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.702 -0.360 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.293 -1.902 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.125 -1.663 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.147 -3.148 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.788 -2.432 -0.680 1.00 0.00 H new ATOM 576 N LEU A 41 -7.399 0.730 0.589 1.00 0.00 N ATOM 577 CA LEU A 41 -7.418 1.672 1.702 1.00 0.00 C ATOM 578 C LEU A 41 -8.728 2.452 1.733 1.00 0.00 C ATOM 579 O LEU A 41 -9.069 3.150 0.778 1.00 0.00 O ATOM 580 CB LEU A 41 -6.238 2.639 1.598 1.00 0.00 C ATOM 581 CG LEU A 41 -6.195 3.760 2.637 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.644 3.244 3.957 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.361 4.927 2.128 1.00 0.00 C ATOM 0 H LEU A 41 -7.053 1.120 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.333 1.103 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.315 2.064 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.251 3.091 0.606 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.213 4.113 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.621 4.056 4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.282 2.442 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.634 2.864 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.341 5.716 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.344 4.589 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.800 5.314 1.208 1.00 0.00 H new ATOM 595 N ARG A 42 -9.458 2.331 2.838 1.00 0.00 N ATOM 596 CA ARG A 42 -10.730 3.026 2.993 1.00 0.00 C ATOM 597 C ARG A 42 -10.628 4.114 4.059 1.00 0.00 C ATOM 598 O ARG A 42 -10.428 3.825 5.239 1.00 0.00 O ATOM 599 CB ARG A 42 -11.834 2.035 3.365 1.00 0.00 C ATOM 600 CG ARG A 42 -12.552 1.444 2.163 1.00 0.00 C ATOM 601 CD ARG A 42 -13.756 0.617 2.584 1.00 0.00 C ATOM 602 NE ARG A 42 -14.476 0.073 1.435 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.393 0.752 0.755 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.700 1.993 1.105 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.005 0.188 -0.280 1.00 0.00 N ATOM 0 H ARG A 42 -9.190 1.758 3.638 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.978 3.496 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.401 1.226 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.562 2.537 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.875 2.247 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.861 0.820 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.428 -0.200 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.431 1.235 3.175 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.263 -0.880 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.232 2.430 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.405 2.511 0.580 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.771 -0.767 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.709 0.709 -0.802 1.00 0.00 H new ATOM 619 N PHE A 43 -10.767 5.365 3.634 1.00 0.00 N ATOM 620 CA PHE A 43 -10.690 6.497 4.550 1.00 0.00 C ATOM 621 C PHE A 43 -12.039 7.201 4.661 1.00 0.00 C ATOM 622 O PHE A 43 -12.543 7.757 3.686 1.00 0.00 O ATOM 623 CB PHE A 43 -9.621 7.487 4.082 1.00 0.00 C ATOM 624 CG PHE A 43 -9.630 7.721 2.599 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.260 6.713 1.723 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.006 8.950 2.080 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.267 6.925 0.357 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.016 9.167 0.715 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.644 8.154 -0.147 1.00 0.00 C ATOM 0 H PHE A 43 -10.934 5.621 2.661 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.417 6.117 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.770 8.438 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.639 7.116 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.963 5.750 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.294 9.747 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.978 6.130 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.314 10.128 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.648 8.323 -1.214 1.00 0.00 H new ATOM 639 N GLY A 44 -12.619 7.172 5.857 1.00 0.00 N ATOM 640 CA GLY A 44 -13.904 7.810 6.073 1.00 0.00 C ATOM 641 C GLY A 44 -13.878 8.789 7.230 1.00 0.00 C ATOM 642 O GLY A 44 -12.969 8.758 8.059 1.00 0.00 O ATOM 0 H GLY A 44 -12.222 6.718 6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.204 8.333 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.658 7.046 6.264 1.00 0.00 H new ATOM 646 N VAL A 45 -14.878 9.663 7.287 1.00 0.00 N ATOM 647 CA VAL A 45 -14.966 10.656 8.350 1.00 0.00 C ATOM 648 C VAL A 45 -15.747 10.117 9.543 1.00 0.00 C ATOM 649 O VAL A 45 -16.967 9.953 9.496 1.00 0.00 O ATOM 650 CB VAL A 45 -15.638 11.951 7.854 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.696 12.983 8.970 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.900 12.504 6.644 1.00 0.00 C ATOM 0 H VAL A 45 -15.639 9.703 6.609 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.945 10.880 8.659 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.659 11.718 7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.174 13.891 8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.271 12.584 9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.685 13.215 9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.388 13.418 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.867 12.723 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.915 11.767 5.841 1.00 0.00 H new ATOM 662 N PRO A 46 -15.030 9.833 10.640 1.00 0.00 N ATOM 663 CA PRO A 46 -15.635 9.309 11.868 1.00 0.00 C ATOM 664 C PRO A 46 -16.496 10.347 12.580 1.00 0.00 C ATOM 665 O PRO A 46 -15.980 11.295 13.171 1.00 0.00 O ATOM 666 CB PRO A 46 -14.425 8.937 12.729 1.00 0.00 C ATOM 667 CG PRO A 46 -13.327 9.816 12.239 1.00 0.00 C ATOM 668 CD PRO A 46 -13.573 10.004 10.767 1.00 0.00 C ATOM 0 HA PRO A 46 -16.306 8.474 11.667 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.625 9.106 13.787 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.169 7.884 12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.331 10.773 12.761 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.353 9.360 12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.253 10.990 10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.029 9.271 10.172 1.00 0.00 H new ATOM 923 N GLU A 62 -11.335 5.311 -2.086 1.00 0.00 N ATOM 924 CA GLU A 62 -10.398 4.268 -1.685 1.00 0.00 C ATOM 925 C GLU A 62 -9.193 4.229 -2.621 1.00 0.00 C ATOM 926 O GLU A 62 -9.279 4.641 -3.779 1.00 0.00 O ATOM 927 CB GLU A 62 -11.093 2.905 -1.673 1.00 0.00 C ATOM 928 CG GLU A 62 -11.973 2.659 -2.887 1.00 0.00 C ATOM 929 CD GLU A 62 -11.193 2.683 -4.188 1.00 0.00 C ATOM 930 OE1 GLU A 62 -10.159 1.989 -4.273 1.00 0.00 O ATOM 931 OE2 GLU A 62 -11.618 3.397 -5.120 1.00 0.00 O ATOM 0 HA GLU A 62 -10.047 4.498 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.337 2.122 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.701 2.825 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.468 1.694 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.756 3.417 -2.923 1.00 0.00 H new ATOM 938 N LEU A 63 -8.072 3.732 -2.112 1.00 0.00 N ATOM 939 CA LEU A 63 -6.848 3.639 -2.901 1.00 0.00 C ATOM 940 C LEU A 63 -6.599 2.204 -3.352 1.00 0.00 C ATOM 941 O LEU A 63 -7.072 1.255 -2.727 1.00 0.00 O ATOM 942 CB LEU A 63 -5.655 4.146 -2.089 1.00 0.00 C ATOM 943 CG LEU A 63 -4.443 4.611 -2.897 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.762 5.896 -3.646 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.239 4.807 -1.987 1.00 0.00 C ATOM 0 H LEU A 63 -7.985 3.387 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.967 4.263 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.991 4.975 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.335 3.351 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.200 3.840 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.888 6.212 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.595 5.723 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.032 6.675 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.386 5.138 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.471 5.559 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.997 3.864 -1.496 1.00 0.00 H new ATOM 957 N MET A 64 -5.851 2.052 -4.440 1.00 0.00 N ATOM 958 CA MET A 64 -5.535 0.732 -4.972 1.00 0.00 C ATOM 959 C MET A 64 -4.029 0.559 -5.142 1.00 0.00 C ATOM 960 O MET A 64 -3.404 1.241 -5.954 1.00 0.00 O ATOM 961 CB MET A 64 -6.239 0.518 -6.314 1.00 0.00 C ATOM 962 CG MET A 64 -6.487 -0.945 -6.643 1.00 0.00 C ATOM 963 SD MET A 64 -7.511 -1.771 -5.409 1.00 0.00 S ATOM 964 CE MET A 64 -8.682 -2.628 -6.459 1.00 0.00 C ATOM 0 H MET A 64 -5.453 2.827 -4.970 1.00 0.00 H new ATOM 0 HA MET A 64 -5.890 -0.013 -4.260 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.192 1.046 -6.303 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.637 0.963 -7.106 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.970 -1.017 -7.618 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.531 -1.463 -6.722 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.384 -3.187 -5.840 1.00 0.00 H new ATOM 0 HE2 MET A 64 -9.227 -1.903 -7.063 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.148 -3.317 -7.113 1.00 0.00 H new ATOM 974 N VAL A 65 -3.452 -0.356 -4.370 1.00 0.00 N ATOM 975 CA VAL A 65 -2.019 -0.618 -4.435 1.00 0.00 C ATOM 976 C VAL A 65 -1.727 -2.109 -4.313 1.00 0.00 C ATOM 977 O VAL A 65 -2.311 -2.816 -3.492 1.00 0.00 O ATOM 978 CB VAL A 65 -1.260 0.135 -3.327 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.151 0.475 -3.782 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.016 1.391 -2.922 1.00 0.00 C ATOM 0 H VAL A 65 -3.955 -0.929 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.676 -0.262 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.188 -0.515 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.672 1.007 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.689 -0.444 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.105 1.106 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.465 1.910 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.122 2.047 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.004 1.117 -2.551 1.00 0.00 H new ATOM 990 N PRO A 66 -0.801 -2.601 -5.150 1.00 0.00 N ATOM 991 CA PRO A 66 -0.410 -4.014 -5.155 1.00 0.00 C ATOM 992 C PRO A 66 0.372 -4.403 -3.905 1.00 0.00 C ATOM 993 O PRO A 66 1.071 -3.580 -3.317 1.00 0.00 O ATOM 994 CB PRO A 66 0.476 -4.132 -6.398 1.00 0.00 C ATOM 995 CG PRO A 66 1.013 -2.759 -6.612 1.00 0.00 C ATOM 996 CD PRO A 66 -0.066 -1.816 -6.155 1.00 0.00 C ATOM 0 HA PRO A 66 -1.275 -4.677 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.280 -4.852 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.096 -4.472 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.931 -2.606 -6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.256 -2.594 -7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.352 -0.905 -5.727 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.711 -1.514 -6.980 1.00 0.00 H new ATOM 1004 N GLY A 67 0.248 -5.665 -3.504 1.00 0.00 N ATOM 1005 CA GLY A 67 0.950 -6.141 -2.326 1.00 0.00 C ATOM 1006 C GLY A 67 2.396 -5.690 -2.291 1.00 0.00 C ATOM 1007 O GLY A 67 2.891 -5.246 -1.254 1.00 0.00 O ATOM 0 H GLY A 67 -0.326 -6.366 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.439 -5.782 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.912 -7.230 -2.299 1.00 0.00 H new ATOM 1011 N THR A 68 3.078 -5.804 -3.426 1.00 0.00 N ATOM 1012 CA THR A 68 4.478 -5.407 -3.520 1.00 0.00 C ATOM 1013 C THR A 68 4.675 -3.971 -3.049 1.00 0.00 C ATOM 1014 O THR A 68 5.732 -3.619 -2.525 1.00 0.00 O ATOM 1015 CB THR A 68 5.003 -5.539 -4.962 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.367 -5.106 -5.028 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.158 -4.717 -5.923 1.00 0.00 C ATOM 0 H THR A 68 2.684 -6.168 -4.293 1.00 0.00 H new ATOM 0 HA THR A 68 5.042 -6.079 -2.873 1.00 0.00 H new ATOM 0 HB THR A 68 4.940 -6.587 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.694 -5.194 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.548 -4.826 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.126 -5.068 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.193 -3.667 -5.632 1.00 0.00 H new ATOM 1025 N ARG A 69 3.650 -3.145 -3.237 1.00 0.00 N ATOM 1026 CA ARG A 69 3.712 -1.746 -2.831 1.00 0.00 C ATOM 1027 C ARG A 69 2.832 -1.495 -1.610 1.00 0.00 C ATOM 1028 O ARG A 69 1.627 -1.748 -1.637 1.00 0.00 O ATOM 1029 CB ARG A 69 3.275 -0.839 -3.983 1.00 0.00 C ATOM 1030 CG ARG A 69 4.427 -0.352 -4.846 1.00 0.00 C ATOM 1031 CD ARG A 69 3.933 0.489 -6.012 1.00 0.00 C ATOM 1032 NE ARG A 69 5.036 1.043 -6.793 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.898 1.518 -8.025 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.710 1.507 -8.615 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.949 2.007 -8.671 1.00 0.00 N ATOM 0 H ARG A 69 2.767 -3.421 -3.668 1.00 0.00 H new ATOM 0 HA ARG A 69 4.744 -1.515 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.566 -1.379 -4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.748 0.024 -3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.115 0.235 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.986 -1.208 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.302 -0.122 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.311 1.301 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 69 5.963 1.066 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.899 1.133 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.607 1.873 -9.562 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.864 2.018 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.842 2.372 -9.618 1.00 0.00 H new ATOM 1049 N HIS A 70 3.442 -0.997 -0.539 1.00 0.00 N ATOM 1050 CA HIS A 70 2.714 -0.712 0.692 1.00 0.00 C ATOM 1051 C HIS A 70 2.735 0.782 1.002 1.00 0.00 C ATOM 1052 O HIS A 70 3.347 1.215 1.978 1.00 0.00 O ATOM 1053 CB HIS A 70 3.317 -1.495 1.859 1.00 0.00 C ATOM 1054 CG HIS A 70 3.667 -2.909 1.513 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.836 -3.260 0.872 1.00 0.00 N ATOM 1056 CD2 HIS A 70 2.995 -4.065 1.725 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.867 -4.570 0.702 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.762 -5.082 1.212 1.00 0.00 N ATOM 0 H HIS A 70 4.438 -0.783 -0.499 1.00 0.00 H new ATOM 0 HA HIS A 70 1.678 -1.022 0.553 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.214 -0.982 2.206 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.610 -1.497 2.689 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.564 -2.610 0.575 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.034 -4.168 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.661 -5.127 0.227 1.00 0.00 H new ATOM 1067 N SER A 71 2.063 1.565 0.164 1.00 0.00 N ATOM 1068 CA SER A 71 2.008 3.011 0.346 1.00 0.00 C ATOM 1069 C SER A 71 0.625 3.550 -0.004 1.00 0.00 C ATOM 1070 O SER A 71 -0.058 3.018 -0.878 1.00 0.00 O ATOM 1071 CB SER A 71 3.069 3.695 -0.519 1.00 0.00 C ATOM 1072 OG SER A 71 2.812 3.491 -1.898 1.00 0.00 O ATOM 0 H SER A 71 1.549 1.222 -0.648 1.00 0.00 H new ATOM 0 HA SER A 71 2.209 3.229 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.085 4.763 -0.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.055 3.304 -0.268 1.00 0.00 H new ATOM 0 HG SER A 71 3.503 3.939 -2.429 1.00 0.00 H new ATOM 1078 N ALA A 72 0.219 4.611 0.686 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.082 5.225 0.449 1.00 0.00 C ATOM 1080 C ALA A 72 -1.066 6.704 0.818 1.00 0.00 C ATOM 1081 O ALA A 72 -0.765 7.068 1.955 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.161 4.494 1.233 1.00 0.00 C ATOM 0 H ALA A 72 0.772 5.063 1.414 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.306 5.146 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.127 4.963 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.197 3.451 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.933 4.543 2.298 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.392 7.555 -0.151 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.416 8.995 0.073 1.00 0.00 C ATOM 1090 C VAL A 73 -2.793 9.576 -0.231 1.00 0.00 C ATOM 1091 O VAL A 73 -3.287 9.473 -1.354 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.365 9.715 -0.793 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.464 11.222 -0.611 1.00 0.00 C ATOM 1094 CG2 VAL A 73 1.033 9.220 -0.454 1.00 0.00 C ATOM 0 H VAL A 73 -1.643 7.271 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.181 9.156 1.125 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.564 9.486 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.286 11.713 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.457 11.560 -0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.292 11.474 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.763 9.739 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.244 9.418 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.095 8.148 -0.641 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.407 10.186 0.777 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.727 10.785 0.618 1.00 0.00 C ATOM 1106 C LEU A 74 -4.617 12.276 0.320 1.00 0.00 C ATOM 1107 O LEU A 74 -3.750 12.965 0.859 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.563 10.566 1.880 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.901 9.113 2.218 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.406 8.382 0.984 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.687 8.405 2.800 1.00 0.00 C ATOM 0 H LEU A 74 -3.012 10.279 1.713 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.219 10.301 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.029 11.000 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.496 11.120 1.774 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.693 9.109 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.641 7.350 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.303 8.876 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.636 8.396 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.946 7.372 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.874 8.419 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.370 8.915 3.709 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.502 12.770 -0.540 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.504 14.180 -0.909 1.00 0.00 C ATOM 1125 C ARG A 75 -6.881 14.799 -0.684 1.00 0.00 C ATOM 1126 O ARG A 75 -7.819 14.116 -0.272 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.092 14.347 -2.372 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.592 14.502 -2.569 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.201 14.328 -4.028 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.131 12.920 -4.411 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.954 12.507 -5.661 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.830 13.389 -6.643 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.902 11.209 -5.931 1.00 0.00 N ATOM 0 H ARG A 75 -6.227 12.214 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.784 14.696 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.437 13.482 -2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.596 15.221 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.278 15.486 -2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.066 13.767 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.925 14.840 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.234 14.800 -4.203 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.223 12.216 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.870 14.388 -6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.694 13.069 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.998 10.527 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.766 10.893 -6.891 1.00 0.00 H new ATOM 1147 N ASP A 76 -6.993 16.094 -0.955 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.255 16.805 -0.783 1.00 0.00 C ATOM 1149 C ASP A 76 -8.852 16.526 0.593 1.00 0.00 C ATOM 1150 O ASP A 76 -10.072 16.442 0.746 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.246 16.401 -1.875 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.824 15.017 -1.649 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.842 14.909 -0.933 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.259 14.043 -2.188 1.00 0.00 O ATOM 0 H ASP A 76 -6.225 16.673 -1.295 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.056 17.874 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.057 17.128 -1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.747 16.429 -2.843 1.00 0.00 H new ATOM 1159 N LEU A 77 -7.987 16.381 1.590 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.428 16.110 2.953 1.00 0.00 C ATOM 1161 C LEU A 77 -8.800 17.403 3.672 1.00 0.00 C ATOM 1162 O LEU A 77 -8.715 18.490 3.100 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.332 15.378 3.730 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.790 14.102 3.084 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.693 13.494 3.944 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -7.913 13.100 2.860 1.00 0.00 C ATOM 0 H LEU A 77 -6.975 16.447 1.480 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.313 15.476 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.500 16.066 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.721 15.125 4.717 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.362 14.360 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.319 12.587 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.878 14.209 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.095 13.249 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.509 12.198 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.370 12.846 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.665 13.537 2.203 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.210 17.277 4.930 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.594 18.435 5.728 1.00 0.00 C ATOM 1180 C ARG A 78 -8.398 18.983 6.502 1.00 0.00 C ATOM 1181 O ARG A 78 -7.270 18.522 6.329 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.716 18.064 6.699 1.00 0.00 C ATOM 1183 CG ARG A 78 -12.109 18.331 6.151 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.587 19.731 6.503 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.744 20.130 5.707 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.589 21.089 6.069 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.407 21.743 7.208 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.620 21.395 5.291 1.00 0.00 N ATOM 0 H ARG A 78 -9.285 16.385 5.418 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.952 19.209 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.631 17.007 6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.585 18.625 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.105 18.208 5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.806 17.596 6.552 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.844 19.771 7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.776 20.442 6.345 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.913 19.646 4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.616 21.510 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.058 22.479 7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.764 20.894 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.268 22.131 5.570 1.00 0.00 H new ATOM 1202 N SER A 79 -8.653 19.969 7.355 1.00 0.00 N ATOM 1203 CA SER A 79 -7.597 20.583 8.153 1.00 0.00 C ATOM 1204 C SER A 79 -7.729 20.192 9.622 1.00 0.00 C ATOM 1205 O SER A 79 -8.835 20.089 10.151 1.00 0.00 O ATOM 1206 CB SER A 79 -7.642 22.105 8.012 1.00 0.00 C ATOM 1207 OG SER A 79 -8.851 22.630 8.532 1.00 0.00 O ATOM 0 H SER A 79 -9.582 20.361 7.512 1.00 0.00 H new ATOM 0 HA SER A 79 -6.638 20.220 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.795 22.547 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.545 22.379 6.961 1.00 0.00 H new ATOM 0 HG SER A 79 -8.854 23.605 8.431 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.591 19.977 10.275 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.601 19.600 11.676 1.00 0.00 C ATOM 1215 C GLY A 80 -7.776 18.710 12.030 1.00 0.00 C ATOM 1216 O GLY A 80 -8.497 18.974 12.993 1.00 0.00 O ATOM 0 H GLY A 80 -5.663 20.057 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.672 19.082 11.916 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.633 20.500 12.291 1.00 0.00 H new ATOM 1220 N THR A 81 -7.973 17.653 11.248 1.00 0.00 N ATOM 1221 CA THR A 81 -9.070 16.723 11.482 1.00 0.00 C ATOM 1222 C THR A 81 -8.576 15.281 11.493 1.00 0.00 C ATOM 1223 O THR A 81 -7.758 14.888 10.661 1.00 0.00 O ATOM 1224 CB THR A 81 -10.168 16.870 10.411 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.856 18.114 10.581 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.161 15.720 10.493 1.00 0.00 C ATOM 0 H THR A 81 -7.386 17.420 10.447 1.00 0.00 H new ATOM 0 HA THR A 81 -9.489 16.967 12.458 1.00 0.00 H new ATOM 0 HB THR A 81 -9.693 16.850 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.232 18.855 10.435 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.927 15.845 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.639 14.777 10.333 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.630 15.713 11.477 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.078 14.497 12.440 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.689 13.096 12.559 1.00 0.00 C ATOM 1236 C LEU A 82 -9.496 12.222 11.605 1.00 0.00 C ATOM 1237 O LEU A 82 -10.722 12.149 11.700 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.882 12.613 13.998 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.271 11.253 14.337 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.791 10.183 13.390 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.752 11.323 14.284 1.00 0.00 C ATOM 0 H LEU A 82 -9.755 14.807 13.137 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.635 13.014 12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.456 13.358 14.670 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.951 12.570 14.205 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.567 10.986 15.351 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.345 9.222 13.647 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.875 10.115 13.478 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.526 10.444 12.365 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.334 10.346 14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.436 11.613 13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.396 12.060 15.004 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.802 11.561 10.686 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.454 10.692 9.713 1.00 0.00 C ATOM 1255 C TYR A 83 -9.285 9.224 10.094 1.00 0.00 C ATOM 1256 O TYR A 83 -8.270 8.834 10.670 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.884 10.937 8.316 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.561 12.068 7.575 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.159 13.385 7.760 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.602 11.819 6.689 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.775 14.421 7.086 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.223 12.849 6.010 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.807 14.148 6.212 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.422 15.178 5.537 1.00 0.00 O ATOM 0 H TYR A 83 -7.787 11.610 10.594 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.518 10.927 9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.819 11.155 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.977 10.023 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.351 13.602 8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.931 10.803 6.529 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.451 15.439 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.030 12.638 5.324 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.127 14.816 4.961 1.00 0.00 H new ATOM 1274 N SER A 84 -10.287 8.415 9.766 1.00 0.00 N ATOM 1275 CA SER A 84 -10.252 6.991 10.076 1.00 0.00 C ATOM 1276 C SER A 84 -9.872 6.176 8.843 1.00 0.00 C ATOM 1277 O SER A 84 -10.671 6.019 7.918 1.00 0.00 O ATOM 1278 CB SER A 84 -11.610 6.529 10.607 1.00 0.00 C ATOM 1279 OG SER A 84 -11.588 5.151 10.935 1.00 0.00 O ATOM 0 H SER A 84 -11.133 8.721 9.286 1.00 0.00 H new ATOM 0 HA SER A 84 -9.496 6.830 10.844 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.876 7.112 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.379 6.715 9.858 1.00 0.00 H new ATOM 0 HG SER A 84 -12.467 4.881 11.273 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.648 5.660 8.836 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.160 4.861 7.718 1.00 0.00 C ATOM 1287 C LEU A 85 -8.237 3.372 8.038 1.00 0.00 C ATOM 1288 O LEU A 85 -8.079 2.964 9.189 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.720 5.248 7.379 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.381 6.735 7.488 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.896 6.926 7.753 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.798 7.471 6.223 1.00 0.00 C ATOM 0 H LEU A 85 -7.975 5.781 9.593 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.796 5.061 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.051 4.694 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.507 4.921 6.361 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.936 7.154 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.674 7.990 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.627 6.433 8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.322 6.492 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.549 8.528 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.271 7.050 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.873 7.363 6.077 1.00 0.00 H new ATOM 1304 N THR A 86 -8.479 2.563 7.011 1.00 0.00 N ATOM 1305 CA THR A 86 -8.575 1.119 7.183 1.00 0.00 C ATOM 1306 C THR A 86 -8.123 0.384 5.925 1.00 0.00 C ATOM 1307 O THR A 86 -8.799 0.422 4.896 1.00 0.00 O ATOM 1308 CB THR A 86 -10.014 0.688 7.526 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.491 1.430 8.654 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.075 -0.801 7.829 1.00 0.00 C ATOM 0 H THR A 86 -8.612 2.884 6.052 1.00 0.00 H new ATOM 0 HA THR A 86 -7.917 0.855 8.011 1.00 0.00 H new ATOM 0 HB THR A 86 -10.647 0.893 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.407 1.152 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.101 -1.082 8.068 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.738 -1.364 6.958 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.430 -1.026 8.678 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.979 -0.284 6.015 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.437 -1.028 4.884 1.00 0.00 C ATOM 1320 C LEU A 87 -7.005 -2.444 4.841 1.00 0.00 C ATOM 1321 O LEU A 87 -7.349 -3.016 5.875 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.910 -1.081 4.967 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.176 -1.356 3.654 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.070 -0.086 2.825 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.794 -1.933 3.927 1.00 0.00 C ATOM 0 H LEU A 87 -6.409 -0.326 6.860 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.727 -0.512 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.555 -0.131 5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.632 -1.853 5.684 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.749 -2.089 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.545 -0.302 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.070 0.286 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.520 0.670 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.286 -2.123 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.213 -1.223 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.892 -2.867 4.480 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.097 -3.002 3.640 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.623 -4.350 3.462 1.00 0.00 C ATOM 1339 C TYR A 88 -6.691 -5.189 2.592 1.00 0.00 C ATOM 1340 O TYR A 88 -6.444 -4.861 1.432 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.016 -4.298 2.833 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.072 -3.716 3.746 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.620 -4.469 4.776 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.520 -2.411 3.578 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.585 -3.941 5.612 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.483 -1.874 4.410 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.013 -2.643 5.425 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.973 -2.113 6.256 1.00 0.00 O ATOM 0 H TYR A 88 -6.814 -2.542 2.775 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.692 -4.817 4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.971 -3.705 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.313 -5.306 2.544 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.286 -5.485 4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.108 -1.807 2.783 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.002 -4.541 6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.819 -0.858 4.267 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.161 -1.189 5.990 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.176 -6.274 3.163 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.277 -7.143 2.427 1.00 0.00 C ATOM 1360 C GLY A 89 -6.016 -8.099 1.511 1.00 0.00 C ATOM 1361 O GLY A 89 -6.252 -9.254 1.867 1.00 0.00 O ATOM 0 H GLY A 89 -6.365 -6.566 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.592 -6.535 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.671 -7.714 3.131 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.384 -7.617 0.329 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.103 -8.436 -0.641 1.00 0.00 C ATOM 1367 C LEU A 90 -6.263 -9.635 -1.070 1.00 0.00 C ATOM 1368 O LEU A 90 -5.280 -9.489 -1.796 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.480 -7.600 -1.865 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.731 -6.733 -1.725 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.941 -7.591 -1.390 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.523 -5.663 -0.664 1.00 0.00 C ATOM 0 H LEU A 90 -6.196 -6.663 0.019 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.012 -8.803 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.639 -6.952 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.621 -8.273 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.915 -6.239 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.822 -6.956 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.103 -8.318 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.767 -8.114 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.424 -5.056 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.313 -6.137 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.683 -5.028 -0.947 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.658 -10.821 -0.616 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.942 -12.045 -0.954 1.00 0.00 C ATOM 1386 C ARG A 91 -6.617 -12.766 -2.116 1.00 0.00 C ATOM 1387 O ARG A 91 -6.494 -13.982 -2.262 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.870 -12.971 0.262 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.599 -13.801 0.322 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.755 -15.114 -0.430 1.00 0.00 C ATOM 1391 NE ARG A 91 -4.324 -15.003 -1.821 1.00 0.00 N ATOM 1392 CZ ARG A 91 -4.113 -16.050 -2.611 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -4.293 -17.280 -2.149 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -3.722 -15.868 -3.865 1.00 0.00 N ATOM 0 H ARG A 91 -7.469 -10.959 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.931 -11.773 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.945 -12.372 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.730 -13.640 0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.772 -13.233 -0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.345 -14.004 1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.173 -15.889 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.798 -15.428 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.177 -14.070 -2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.594 -17.424 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.130 -18.082 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.583 -14.923 -4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.560 -16.673 -4.471 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.331 -12.008 -2.943 1.00 0.00 N ATOM 1409 CA GLY A 92 -8.015 -12.592 -4.081 1.00 0.00 C ATOM 1410 C GLY A 92 -9.410 -12.029 -4.271 1.00 0.00 C ATOM 1411 O GLY A 92 -9.592 -10.837 -4.521 1.00 0.00 O ATOM 0 H GLY A 92 -7.448 -10.999 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.429 -12.415 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.077 -13.672 -3.948 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.424 -12.898 -4.155 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.827 -12.503 -4.313 1.00 0.00 C ATOM 1417 C PRO A 93 -12.316 -11.627 -3.164 1.00 0.00 C ATOM 1418 O PRO A 93 -12.987 -10.618 -3.382 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.573 -13.839 -4.321 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.689 -14.772 -3.567 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.281 -14.333 -3.859 1.00 0.00 C ATOM 0 HA PRO A 93 -11.983 -11.906 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.550 -13.749 -3.847 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.744 -14.191 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.898 -14.729 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.850 -15.803 -3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.622 -14.504 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.858 -14.877 -4.703 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.975 -12.019 -1.941 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.379 -11.269 -0.757 1.00 0.00 C ATOM 1431 C HIS A 94 -11.167 -10.910 0.098 1.00 0.00 C ATOM 1432 O HIS A 94 -10.117 -11.545 0.004 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.379 -12.078 0.069 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.759 -13.228 0.801 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.305 -13.137 2.100 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -12.520 -14.502 0.410 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -11.813 -14.304 2.475 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.932 -15.150 1.468 1.00 0.00 N ATOM 0 H HIS A 94 -11.420 -12.852 -1.744 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.855 -10.346 -1.087 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.862 -11.417 0.789 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.160 -12.456 -0.590 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -12.343 -12.299 2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -12.749 -14.929 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -11.386 -14.528 3.441 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.320 -9.886 0.932 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.239 -9.442 1.804 1.00 0.00 C ATOM 1449 C LYS A 95 -9.905 -10.508 2.842 1.00 0.00 C ATOM 1450 O LYS A 95 -10.782 -11.242 3.297 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.626 -8.137 2.504 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.907 -8.237 3.313 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.571 -6.880 3.477 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.434 -6.533 2.273 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.218 -5.286 2.494 1.00 0.00 N ATOM 0 H LYS A 95 -12.182 -9.348 1.022 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.356 -9.270 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.813 -7.833 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.739 -7.353 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.596 -8.923 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.686 -8.656 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.185 -6.880 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.807 -6.114 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.800 -6.413 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.115 -7.358 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.793 -5.083 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.842 -5.409 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.568 -4.493 2.668 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.631 -10.586 3.214 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.182 -11.560 4.201 1.00 0.00 C ATOM 1471 C ALA A 96 -7.839 -10.883 5.523 1.00 0.00 C ATOM 1472 O ALA A 96 -8.239 -11.348 6.591 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.981 -12.331 3.673 1.00 0.00 C ATOM 0 H ALA A 96 -7.892 -9.986 2.847 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.998 -12.260 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.656 -13.055 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.258 -12.854 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.167 -11.637 3.462 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.096 -9.785 5.445 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.699 -9.044 6.637 1.00 0.00 C ATOM 1481 C ASP A 97 -7.096 -7.575 6.520 1.00 0.00 C ATOM 1482 O ASP A 97 -7.434 -7.097 5.437 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.191 -9.162 6.858 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.804 -8.991 8.314 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.556 -9.471 9.188 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.749 -8.377 8.579 1.00 0.00 O ATOM 0 H ASP A 97 -6.756 -9.388 4.569 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.218 -9.475 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.850 -10.136 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.679 -8.410 6.258 1.00 0.00 H new ATOM 1491 N SER A 98 -7.052 -6.865 7.643 1.00 0.00 N ATOM 1492 CA SER A 98 -7.411 -5.452 7.667 1.00 0.00 C ATOM 1493 C SER A 98 -6.826 -4.764 8.897 1.00 0.00 C ATOM 1494 O SER A 98 -6.918 -5.278 10.012 1.00 0.00 O ATOM 1495 CB SER A 98 -8.933 -5.290 7.655 1.00 0.00 C ATOM 1496 OG SER A 98 -9.469 -5.410 8.961 1.00 0.00 O ATOM 0 H SER A 98 -6.772 -7.245 8.547 1.00 0.00 H new ATOM 0 HA SER A 98 -6.995 -4.982 6.776 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.195 -4.317 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.377 -6.044 7.006 1.00 0.00 H new ATOM 0 HG SER A 98 -10.442 -5.301 8.926 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.223 -3.599 8.684 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.624 -2.839 9.774 1.00 0.00 C ATOM 1504 C ILE A 99 -6.281 -1.471 9.918 1.00 0.00 C ATOM 1505 O ILE A 99 -6.853 -0.944 8.965 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.110 -2.650 9.562 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.469 -2.045 10.813 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.852 -1.768 8.349 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -1.988 -2.328 10.930 1.00 0.00 C ATOM 0 H ILE A 99 -6.136 -3.161 7.767 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.786 -3.414 10.686 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.659 -3.625 9.381 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.625 -0.966 10.806 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.976 -2.435 11.696 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.778 -1.643 8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.279 -2.235 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.314 -0.793 8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.601 -1.869 11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.825 -3.405 10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.469 -1.914 10.066 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.193 -0.901 11.115 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.778 0.407 11.383 1.00 0.00 C ATOM 1523 C GLN A 100 -5.698 1.429 11.722 1.00 0.00 C ATOM 1524 O GLN A 100 -5.023 1.317 12.744 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.786 0.314 12.531 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.122 -0.282 12.119 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.066 -0.463 13.292 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.759 -0.069 14.418 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.223 -1.062 13.034 1.00 0.00 N ATOM 0 H GLN A 100 -5.722 -1.324 11.915 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.294 0.736 10.481 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.359 -0.291 13.331 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.952 1.311 12.939 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.591 0.364 11.377 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.953 -1.247 11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.436 -1.373 12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.898 -1.211 13.784 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.539 2.424 10.855 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.538 3.451 11.080 1.00 0.00 C ATOM 1540 C GLY A 101 -5.144 4.835 11.200 1.00 0.00 C ATOM 1541 O GLY A 101 -5.710 5.359 10.241 1.00 0.00 O ATOM 0 H GLY A 101 -6.085 2.538 10.001 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.984 3.220 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.821 3.442 10.259 1.00 0.00 H new ATOM 1545 N THR A 102 -5.027 5.430 12.383 1.00 0.00 N ATOM 1546 CA THR A 102 -5.570 6.761 12.627 1.00 0.00 C ATOM 1547 C THR A 102 -4.495 7.830 12.471 1.00 0.00 C ATOM 1548 O THR A 102 -3.346 7.631 12.865 1.00 0.00 O ATOM 1549 CB THR A 102 -6.184 6.868 14.035 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.336 6.219 14.990 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.569 6.239 14.071 1.00 0.00 C ATOM 0 H THR A 102 -4.561 5.011 13.188 1.00 0.00 H new ATOM 0 HA THR A 102 -6.352 6.924 11.885 1.00 0.00 H new ATOM 0 HB THR A 102 -6.275 7.924 14.288 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.733 6.293 15.883 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.982 6.327 15.076 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.221 6.753 13.364 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.498 5.186 13.799 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.876 8.966 11.896 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.944 10.068 11.691 1.00 0.00 C ATOM 1561 C ALA A 103 -4.678 11.404 11.637 1.00 0.00 C ATOM 1562 O ALA A 103 -5.805 11.484 11.149 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.143 9.852 10.416 1.00 0.00 C ATOM 0 H ALA A 103 -5.823 9.147 11.564 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.258 10.093 12.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.451 10.683 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.581 8.921 10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.822 9.797 9.565 1.00 0.00 H new ATOM 1569 N ARG A 104 -4.032 12.450 12.142 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.624 13.782 12.152 1.00 0.00 C ATOM 1571 C ARG A 104 -3.835 14.735 11.260 1.00 0.00 C ATOM 1572 O ARG A 104 -2.634 14.930 11.450 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.677 14.328 13.580 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.658 15.476 13.757 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.675 15.977 15.193 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.630 17.066 15.381 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.929 17.585 16.567 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.350 17.117 17.664 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.809 18.574 16.657 1.00 0.00 N ATOM 0 H ARG A 104 -3.098 12.400 12.550 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.639 13.704 11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.950 13.520 14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.681 14.664 13.869 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.388 16.293 13.088 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.658 15.149 13.473 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.928 15.154 15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.677 16.318 15.470 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.093 17.449 14.557 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.673 16.357 17.599 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.581 17.517 18.573 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.257 18.937 15.815 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.038 18.972 17.568 1.00 0.00 H new ATOM 1593 N THR A 105 -4.518 15.328 10.286 1.00 0.00 N ATOM 1594 CA THR A 105 -3.881 16.259 9.363 1.00 0.00 C ATOM 1595 C THR A 105 -3.400 17.510 10.089 1.00 0.00 C ATOM 1596 O THR A 105 -3.643 17.678 11.285 1.00 0.00 O ATOM 1597 CB THR A 105 -4.840 16.673 8.231 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.104 17.066 8.780 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.042 15.531 7.248 1.00 0.00 C ATOM 0 H THR A 105 -5.513 15.180 10.116 1.00 0.00 H new ATOM 0 HA THR A 105 -3.025 15.740 8.932 1.00 0.00 H new ATOM 0 HB THR A 105 -4.397 17.515 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.622 17.545 8.099 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.723 15.847 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.083 15.253 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.465 14.673 7.770 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.717 18.386 9.360 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.202 19.624 9.936 1.00 0.00 C ATOM 1609 C LEU A 106 -3.170 20.779 9.698 1.00 0.00 C ATOM 1610 O LEU A 106 -3.918 20.784 8.721 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.835 19.957 9.336 1.00 0.00 C ATOM 1612 CG LEU A 106 0.324 19.057 9.765 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.642 19.588 9.223 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.376 18.941 11.281 1.00 0.00 C ATOM 0 H LEU A 106 -2.507 18.262 8.370 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.095 19.480 11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.918 19.916 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.586 20.985 9.598 1.00 0.00 H new ATOM 0 HG LEU A 106 0.159 18.063 9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.455 18.934 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.602 19.618 8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.815 20.593 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.207 18.297 11.568 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.516 19.930 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.558 18.513 11.645 1.00 0.00 H new ATOM 1626 N SER A 107 -3.148 21.757 10.598 1.00 0.00 N ATOM 1627 CA SER A 107 -4.025 22.917 10.487 1.00 0.00 C ATOM 1628 C SER A 107 -3.442 23.948 9.525 1.00 0.00 C ATOM 1629 O SER A 107 -4.177 24.668 8.849 1.00 0.00 O ATOM 1630 CB SER A 107 -4.242 23.552 11.862 1.00 0.00 C ATOM 1631 OG SER A 107 -4.895 24.804 11.748 1.00 0.00 O ATOM 0 H SER A 107 -2.533 21.769 11.412 1.00 0.00 H new ATOM 0 HA SER A 107 -4.984 22.580 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.836 22.884 12.485 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.282 23.683 12.361 1.00 0.00 H new ATOM 0 HG SER A 107 -5.023 25.188 12.640 1.00 0.00 H new