USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -145:sc= 1.66 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.0534 X(o=1.6,f=1.6) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -117:sc= 0.913 (180deg=0) USER MOD Set 2.2: A 35 THR OG1 : rot 154:sc= 0.797 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 159:sc= -1.79 (180deg=-3.53!) USER MOD Single : A 25 LYS NZ :NH3+ 159:sc= -0.234 (180deg=-1.25) USER MOD Single : A 27 ASN : amide:sc= -0.697 K(o=-0.7,f=-3.4) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 39:sc= 0.53 USER MOD Single : A 42 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.29) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.0207 K(o=0.021,f=-1.3) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -91:sc= 1.57 USER MOD Single : A 63 SER OG : rot -123:sc= -0.68 USER MOD Single : A 67 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-4.6!) USER MOD Single : A 72 CYS SG : rot 180:sc=-0.00121 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.451) USER MOD Single : A 80 GLN : amide:sc= -0.0696 X(o=-0.07,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.141 0.232 -0.956 1.00 0.00 N ATOM 158 CA PHE A 14 13.927 -0.575 -0.985 1.00 0.00 C ATOM 159 C PHE A 14 14.243 -2.042 -0.707 1.00 0.00 C ATOM 160 O PHE A 14 15.317 -2.533 -1.053 1.00 0.00 O ATOM 161 CB PHE A 14 13.232 -0.440 -2.342 1.00 0.00 C ATOM 162 CG PHE A 14 12.475 0.847 -2.501 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.143 2.032 -2.763 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.094 0.871 -2.389 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.449 3.218 -2.911 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.394 2.054 -2.537 1.00 0.00 C ATOM 167 CZ PHE A 14 11.072 3.229 -2.796 1.00 0.00 C ATOM 0 HA PHE A 14 13.259 -0.211 -0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.979 -0.513 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.545 -1.276 -2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.219 2.029 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.559 -0.044 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.982 4.135 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.318 2.059 -2.450 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.527 4.155 -2.908 1.00 0.00 H new ATOM 177 N GLN A 15 13.299 -2.735 -0.079 1.00 0.00 N ATOM 178 CA GLN A 15 13.476 -4.145 0.248 1.00 0.00 C ATOM 179 C GLN A 15 12.379 -4.993 -0.387 1.00 0.00 C ATOM 180 O GLN A 15 11.371 -4.470 -0.862 1.00 0.00 O ATOM 181 CB GLN A 15 13.476 -4.343 1.765 1.00 0.00 C ATOM 182 CG GLN A 15 14.630 -3.649 2.469 1.00 0.00 C ATOM 183 CD GLN A 15 14.442 -3.581 3.972 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.093 -2.535 4.519 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.673 -4.701 4.648 1.00 0.00 N ATOM 0 H GLN A 15 12.404 -2.343 0.214 1.00 0.00 H new ATOM 0 HA GLN A 15 14.437 -4.467 -0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.536 -3.970 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.517 -5.410 1.984 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.557 -4.178 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.736 -2.639 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.961 -5.545 4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.563 -4.717 5.662 1.00 0.00 H new ATOM 194 N LYS A 16 12.582 -6.306 -0.394 1.00 0.00 N ATOM 195 CA LYS A 16 11.611 -7.228 -0.970 1.00 0.00 C ATOM 196 C LYS A 16 10.590 -7.667 0.076 1.00 0.00 C ATOM 197 O LYS A 16 10.898 -7.743 1.265 1.00 0.00 O ATOM 198 CB LYS A 16 12.322 -8.454 -1.549 1.00 0.00 C ATOM 199 CG LYS A 16 12.832 -8.248 -2.965 1.00 0.00 C ATOM 200 CD LYS A 16 14.072 -9.083 -3.237 1.00 0.00 C ATOM 201 CE LYS A 16 14.193 -9.436 -4.712 1.00 0.00 C ATOM 202 NZ LYS A 16 15.560 -9.915 -5.057 1.00 0.00 N ATOM 0 H LYS A 16 13.411 -6.756 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 16 11.085 -6.708 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.161 -8.716 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.636 -9.301 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.050 -8.513 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.061 -7.194 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.959 -8.534 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.034 -9.997 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.464 -10.207 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.951 -8.561 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.602 -10.145 -6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.253 -9.170 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.781 -10.765 -4.500 1.00 0.00 H new ATOM 216 N LYS A 17 9.374 -7.955 -0.376 1.00 0.00 N ATOM 217 CA LYS A 17 8.308 -8.388 0.519 1.00 0.00 C ATOM 218 C LYS A 17 7.865 -7.248 1.431 1.00 0.00 C ATOM 219 O LYS A 17 7.387 -7.479 2.541 1.00 0.00 O ATOM 220 CB LYS A 17 8.774 -9.577 1.362 1.00 0.00 C ATOM 221 CG LYS A 17 9.411 -10.689 0.547 1.00 0.00 C ATOM 222 CD LYS A 17 9.519 -11.976 1.346 1.00 0.00 C ATOM 223 CE LYS A 17 9.617 -13.191 0.436 1.00 0.00 C ATOM 224 NZ LYS A 17 10.085 -14.399 1.172 1.00 0.00 N ATOM 0 H LYS A 17 9.102 -7.896 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 17 7.458 -8.693 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.491 -9.226 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.921 -9.981 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.820 -10.866 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.403 -10.379 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.396 -11.932 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.650 -12.076 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.642 -13.391 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.303 -12.977 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.139 -15.205 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.026 -14.217 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.417 -14.619 1.938 1.00 0.00 H new ATOM 238 N MET A 18 8.028 -6.018 0.954 1.00 0.00 N ATOM 239 CA MET A 18 7.642 -4.842 1.726 1.00 0.00 C ATOM 240 C MET A 18 6.388 -4.198 1.144 1.00 0.00 C ATOM 241 O MET A 18 5.837 -4.672 0.150 1.00 0.00 O ATOM 242 CB MET A 18 8.785 -3.826 1.753 1.00 0.00 C ATOM 243 CG MET A 18 9.085 -3.211 0.396 1.00 0.00 C ATOM 244 SD MET A 18 8.174 -1.682 0.110 1.00 0.00 S ATOM 245 CE MET A 18 9.517 -0.502 0.005 1.00 0.00 C ATOM 0 H MET A 18 8.424 -5.810 0.038 1.00 0.00 H new ATOM 0 HA MET A 18 7.426 -5.162 2.745 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.537 -3.031 2.456 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.685 -4.314 2.128 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.154 -3.012 0.320 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.838 -3.928 -0.386 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.178 0.389 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.839 -0.227 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.352 -0.948 -0.535 1.00 0.00 H new ATOM 255 N LYS A 19 5.940 -3.115 1.770 1.00 0.00 N ATOM 256 CA LYS A 19 4.751 -2.404 1.315 1.00 0.00 C ATOM 257 C LYS A 19 5.072 -0.944 1.011 1.00 0.00 C ATOM 258 O LYS A 19 5.804 -0.291 1.757 1.00 0.00 O ATOM 259 CB LYS A 19 3.647 -2.485 2.372 1.00 0.00 C ATOM 260 CG LYS A 19 3.011 -3.860 2.482 1.00 0.00 C ATOM 261 CD LYS A 19 2.290 -4.245 1.201 1.00 0.00 C ATOM 262 CE LYS A 19 1.107 -5.160 1.480 1.00 0.00 C ATOM 263 NZ LYS A 19 0.760 -5.995 0.297 1.00 0.00 N ATOM 0 H LYS A 19 6.383 -2.710 2.595 1.00 0.00 H new ATOM 0 HA LYS A 19 4.403 -2.880 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.062 -2.207 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.874 -1.754 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.779 -4.600 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.307 -3.871 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.943 -3.345 0.693 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.986 -4.744 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.340 -5.807 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.243 -4.560 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.199 -5.756 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.440 -5.812 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.796 -7.001 0.559 1.00 0.00 H new ATOM 277 N LEU A 20 4.521 -0.438 -0.086 1.00 0.00 N ATOM 278 CA LEU A 20 4.748 0.947 -0.487 1.00 0.00 C ATOM 279 C LEU A 20 3.606 1.454 -1.362 1.00 0.00 C ATOM 280 O LEU A 20 3.098 0.730 -2.217 1.00 0.00 O ATOM 281 CB LEU A 20 6.074 1.069 -1.239 1.00 0.00 C ATOM 282 CG LEU A 20 5.997 0.947 -2.761 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.759 2.309 -3.394 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.268 0.316 -3.311 1.00 0.00 C ATOM 0 H LEU A 20 3.914 -0.965 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 20 4.790 1.559 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.520 2.033 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.752 0.301 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 20 5.156 0.300 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.707 2.203 -4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.821 2.723 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.578 2.979 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.195 0.237 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.125 0.936 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.395 -0.678 -2.883 1.00 0.00 H new ATOM 296 N GLU A 21 3.209 2.704 -1.141 1.00 0.00 N ATOM 297 CA GLU A 21 2.128 3.308 -1.911 1.00 0.00 C ATOM 298 C GLU A 21 2.636 3.815 -3.257 1.00 0.00 C ATOM 299 O GLU A 21 3.466 4.723 -3.318 1.00 0.00 O ATOM 300 CB GLU A 21 1.494 4.459 -1.126 1.00 0.00 C ATOM 301 CG GLU A 21 0.718 4.005 0.099 1.00 0.00 C ATOM 302 CD GLU A 21 -0.013 5.145 0.782 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.080 6.244 0.193 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.518 4.937 1.905 1.00 0.00 O ATOM 0 H GLU A 21 3.619 3.317 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 21 1.374 2.542 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.277 5.150 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.825 5.012 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.002 3.241 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.404 3.542 0.808 1.00 0.00 H new ATOM 311 N VAL A 22 2.132 3.223 -4.335 1.00 0.00 N ATOM 312 CA VAL A 22 2.533 3.614 -5.681 1.00 0.00 C ATOM 313 C VAL A 22 1.413 4.364 -6.392 1.00 0.00 C ATOM 314 O VAL A 22 0.251 3.961 -6.340 1.00 0.00 O ATOM 315 CB VAL A 22 2.934 2.390 -6.525 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.254 2.807 -7.953 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.116 1.671 -5.893 1.00 0.00 C ATOM 0 H VAL A 22 1.445 2.470 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 22 3.396 4.271 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 22 2.091 1.699 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.535 1.929 -8.534 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.377 3.273 -8.401 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.080 3.518 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.386 0.809 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.965 2.352 -5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.845 1.337 -4.891 1.00 0.00 H new ATOM 327 N VAL A 23 1.770 5.457 -7.058 1.00 0.00 N ATOM 328 CA VAL A 23 0.795 6.264 -7.783 1.00 0.00 C ATOM 329 C VAL A 23 0.486 5.658 -9.147 1.00 0.00 C ATOM 330 O VAL A 23 1.384 5.451 -9.963 1.00 0.00 O ATOM 331 CB VAL A 23 1.294 7.708 -7.975 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.359 8.478 -8.896 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.427 8.409 -6.632 1.00 0.00 C ATOM 0 H VAL A 23 2.728 5.805 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.114 6.279 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 23 2.279 7.674 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.728 9.496 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.319 7.986 -9.868 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.640 8.504 -8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.781 9.428 -6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.456 8.433 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.139 7.869 -6.009 1.00 0.00 H new ATOM 343 N ASP A 24 -0.790 5.378 -9.389 1.00 0.00 N ATOM 344 CA ASP A 24 -1.218 4.797 -10.656 1.00 0.00 C ATOM 345 C ASP A 24 -0.877 5.722 -11.820 1.00 0.00 C ATOM 346 O ASP A 24 -1.201 6.910 -11.800 1.00 0.00 O ATOM 347 CB ASP A 24 -2.722 4.520 -10.632 1.00 0.00 C ATOM 348 CG ASP A 24 -3.125 3.427 -11.602 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.234 2.684 -12.063 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.333 3.315 -11.900 1.00 0.00 O ATOM 0 H ASP A 24 -1.546 5.544 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.685 3.856 -10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.020 4.234 -9.623 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.261 5.435 -10.876 1.00 0.00 H new ATOM 355 N LYS A 25 -0.221 5.170 -12.835 1.00 0.00 N ATOM 356 CA LYS A 25 0.165 5.944 -14.009 1.00 0.00 C ATOM 357 C LYS A 25 -1.065 6.474 -14.739 1.00 0.00 C ATOM 358 O LYS A 25 -1.185 7.675 -14.980 1.00 0.00 O ATOM 359 CB LYS A 25 1.004 5.085 -14.958 1.00 0.00 C ATOM 360 CG LYS A 25 2.068 4.261 -14.254 1.00 0.00 C ATOM 361 CD LYS A 25 3.038 5.144 -13.486 1.00 0.00 C ATOM 362 CE LYS A 25 3.609 4.421 -12.275 1.00 0.00 C ATOM 363 NZ LYS A 25 4.124 5.374 -11.253 1.00 0.00 N ATOM 0 H LYS A 25 0.055 4.189 -12.868 1.00 0.00 H new ATOM 0 HA LYS A 25 0.761 6.793 -13.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.343 4.415 -15.508 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.484 5.732 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.592 3.559 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.616 3.669 -14.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.851 5.452 -14.144 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.528 6.051 -13.163 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.838 3.793 -11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.415 3.759 -12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.171 4.900 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.075 5.696 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.486 6.193 -11.190 1.00 0.00 H new ATOM 377 N ARG A 26 -1.976 5.571 -15.087 1.00 0.00 N ATOM 378 CA ARG A 26 -3.197 5.949 -15.789 1.00 0.00 C ATOM 379 C ARG A 26 -3.976 6.997 -14.999 1.00 0.00 C ATOM 380 O ARG A 26 -4.651 7.848 -15.576 1.00 0.00 O ATOM 381 CB ARG A 26 -4.074 4.719 -16.029 1.00 0.00 C ATOM 382 CG ARG A 26 -3.882 3.623 -14.994 1.00 0.00 C ATOM 383 CD ARG A 26 -2.842 2.608 -15.444 1.00 0.00 C ATOM 384 NE ARG A 26 -1.815 3.213 -16.287 1.00 0.00 N ATOM 385 CZ ARG A 26 -0.709 2.583 -16.665 1.00 0.00 C ATOM 386 NH1 ARG A 26 -0.488 1.334 -16.278 1.00 0.00 N ATOM 387 NH2 ARG A 26 0.179 3.201 -17.434 1.00 0.00 N ATOM 0 H ARG A 26 -1.892 4.573 -14.894 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.916 6.379 -16.750 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.120 5.024 -16.033 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.856 4.315 -17.018 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.574 4.066 -14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.832 3.118 -14.816 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.373 2.157 -14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.334 1.804 -15.992 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.955 4.173 -16.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.169 0.855 -15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.363 0.853 -16.570 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.012 4.161 -17.735 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.028 2.716 -17.724 1.00 0.00 H new ATOM 401 N ASN A 27 -3.877 6.927 -13.676 1.00 0.00 N ATOM 402 CA ASN A 27 -4.574 7.868 -12.806 1.00 0.00 C ATOM 403 C ASN A 27 -3.652 8.372 -11.700 1.00 0.00 C ATOM 404 O ASN A 27 -3.510 7.752 -10.646 1.00 0.00 O ATOM 405 CB ASN A 27 -5.812 7.210 -12.194 1.00 0.00 C ATOM 406 CG ASN A 27 -6.702 6.566 -13.240 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.300 5.618 -13.915 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.918 7.081 -13.379 1.00 0.00 N ATOM 0 H ASN A 27 -3.321 6.229 -13.182 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.886 8.720 -13.411 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.500 6.455 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.384 7.958 -11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.562 6.690 -14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.208 7.867 -12.798 1.00 0.00 H new ATOM 415 N PRO A 28 -3.009 9.524 -11.944 1.00 0.00 N ATOM 416 CA PRO A 28 -2.091 10.137 -10.980 1.00 0.00 C ATOM 417 C PRO A 28 -2.816 10.687 -9.757 1.00 0.00 C ATOM 418 O PRO A 28 -2.186 11.148 -8.805 1.00 0.00 O ATOM 419 CB PRO A 28 -1.448 11.275 -11.777 1.00 0.00 C ATOM 420 CG PRO A 28 -2.446 11.609 -12.831 1.00 0.00 C ATOM 421 CD PRO A 28 -3.131 10.316 -13.179 1.00 0.00 C ATOM 0 HA PRO A 28 -1.375 9.417 -10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.240 12.136 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.499 10.965 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.164 12.345 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.960 12.041 -13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.174 10.475 -13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.651 9.821 -14.023 1.00 0.00 H new ATOM 429 N MET A 29 -4.144 10.633 -9.788 1.00 0.00 N ATOM 430 CA MET A 29 -4.954 11.125 -8.680 1.00 0.00 C ATOM 431 C MET A 29 -5.429 9.973 -7.800 1.00 0.00 C ATOM 432 O MET A 29 -6.267 10.157 -6.917 1.00 0.00 O ATOM 433 CB MET A 29 -6.158 11.908 -9.208 1.00 0.00 C ATOM 434 CG MET A 29 -5.870 13.382 -9.441 1.00 0.00 C ATOM 435 SD MET A 29 -7.328 14.299 -9.974 1.00 0.00 S ATOM 436 CE MET A 29 -6.836 14.788 -11.625 1.00 0.00 C ATOM 0 H MET A 29 -4.681 10.254 -10.568 1.00 0.00 H new ATOM 0 HA MET A 29 -4.334 11.788 -8.077 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.491 11.459 -10.144 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.981 11.815 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.485 13.823 -8.522 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.088 13.481 -10.194 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.637 15.365 -12.087 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.934 15.397 -11.570 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.638 13.899 -12.224 1.00 0.00 H new ATOM 446 N PHE A 30 -4.888 8.784 -8.047 1.00 0.00 N ATOM 447 CA PHE A 30 -5.257 7.602 -7.278 1.00 0.00 C ATOM 448 C PHE A 30 -4.016 6.840 -6.823 1.00 0.00 C ATOM 449 O PHE A 30 -3.072 6.654 -7.591 1.00 0.00 O ATOM 450 CB PHE A 30 -6.155 6.685 -8.112 1.00 0.00 C ATOM 451 CG PHE A 30 -7.597 7.103 -8.119 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.994 8.258 -8.775 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.557 6.342 -7.471 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.321 8.645 -8.783 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.885 6.725 -7.476 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.267 7.877 -8.133 1.00 0.00 C ATOM 0 H PHE A 30 -4.193 8.614 -8.774 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.805 7.930 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.786 6.664 -9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.082 5.668 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.258 8.862 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.264 5.439 -6.956 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.618 9.547 -9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.623 6.123 -6.966 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.304 8.177 -8.139 1.00 0.00 H new ATOM 466 N ILE A 31 -4.026 6.401 -5.568 1.00 0.00 N ATOM 467 CA ILE A 31 -2.902 5.659 -5.010 1.00 0.00 C ATOM 468 C ILE A 31 -3.370 4.367 -4.350 1.00 0.00 C ATOM 469 O ILE A 31 -4.445 4.318 -3.751 1.00 0.00 O ATOM 470 CB ILE A 31 -2.130 6.500 -3.976 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.507 7.726 -4.647 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.059 5.657 -3.301 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.376 8.918 -3.725 1.00 0.00 C ATOM 0 H ILE A 31 -4.800 6.546 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.238 5.420 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.829 6.843 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.520 7.460 -5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.114 8.007 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.522 6.265 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.526 4.813 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.360 5.288 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.927 9.750 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.363 9.210 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.744 8.654 -2.877 1.00 0.00 H new ATOM 485 N ARG A 32 -2.556 3.323 -4.462 1.00 0.00 N ATOM 486 CA ARG A 32 -2.886 2.030 -3.876 1.00 0.00 C ATOM 487 C ARG A 32 -1.642 1.362 -3.296 1.00 0.00 C ATOM 488 O ARG A 32 -0.516 1.708 -3.652 1.00 0.00 O ATOM 489 CB ARG A 32 -3.525 1.118 -4.925 1.00 0.00 C ATOM 490 CG ARG A 32 -4.932 1.535 -5.318 1.00 0.00 C ATOM 491 CD ARG A 32 -5.596 0.491 -6.203 1.00 0.00 C ATOM 492 NE ARG A 32 -6.811 1.001 -6.834 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.808 1.828 -7.873 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.660 2.237 -8.395 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.955 2.248 -8.392 1.00 0.00 N ATOM 0 H ARG A 32 -1.663 3.347 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.598 2.197 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.896 1.106 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.551 0.099 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.532 1.687 -4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.896 2.489 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.895 0.170 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.839 -0.388 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.711 0.706 -6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.777 1.916 -7.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.660 2.872 -9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.840 1.936 -7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.951 2.883 -9.190 1.00 0.00 H new ATOM 509 N VAL A 33 -1.855 0.404 -2.400 1.00 0.00 N ATOM 510 CA VAL A 33 -0.752 -0.313 -1.770 1.00 0.00 C ATOM 511 C VAL A 33 0.014 -1.148 -2.790 1.00 0.00 C ATOM 512 O VAL A 33 -0.568 -1.677 -3.737 1.00 0.00 O ATOM 513 CB VAL A 33 -1.252 -1.233 -0.641 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.185 -2.252 -0.271 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.660 -0.412 0.573 1.00 0.00 C ATOM 0 H VAL A 33 -2.781 0.106 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.086 0.439 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.129 -1.774 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.556 -2.893 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.055 -2.861 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.712 -1.733 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.011 -1.078 1.361 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.802 0.156 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.460 0.275 0.296 1.00 0.00 H new ATOM 525 N ALA A 34 1.323 -1.263 -2.590 1.00 0.00 N ATOM 526 CA ALA A 34 2.168 -2.037 -3.491 1.00 0.00 C ATOM 527 C ALA A 34 3.109 -2.950 -2.712 1.00 0.00 C ATOM 528 O ALA A 34 3.255 -2.817 -1.497 1.00 0.00 O ATOM 529 CB ALA A 34 2.962 -1.108 -4.398 1.00 0.00 C ATOM 0 H ALA A 34 1.821 -0.830 -1.812 1.00 0.00 H new ATOM 0 HA ALA A 34 1.522 -2.664 -4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.589 -1.699 -5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.275 -0.501 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.592 -0.457 -3.791 1.00 0.00 H new ATOM 535 N THR A 35 3.744 -3.879 -3.420 1.00 0.00 N ATOM 536 CA THR A 35 4.670 -4.816 -2.794 1.00 0.00 C ATOM 537 C THR A 35 5.886 -5.060 -3.680 1.00 0.00 C ATOM 538 O THR A 35 5.766 -5.586 -4.787 1.00 0.00 O ATOM 539 CB THR A 35 3.987 -6.164 -2.495 1.00 0.00 C ATOM 540 OG1 THR A 35 2.767 -5.946 -1.777 1.00 0.00 O ATOM 541 CG2 THR A 35 4.905 -7.066 -1.684 1.00 0.00 C ATOM 0 H THR A 35 3.634 -4.003 -4.426 1.00 0.00 H new ATOM 0 HA THR A 35 4.992 -4.365 -1.856 1.00 0.00 H new ATOM 0 HB THR A 35 3.767 -6.654 -3.443 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.151 -6.690 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.402 -8.012 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.820 -7.253 -2.246 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.151 -6.580 -0.740 1.00 0.00 H new ATOM 549 N VAL A 36 7.059 -4.677 -3.185 1.00 0.00 N ATOM 550 CA VAL A 36 8.299 -4.857 -3.931 1.00 0.00 C ATOM 551 C VAL A 36 8.580 -6.334 -4.181 1.00 0.00 C ATOM 552 O VAL A 36 9.025 -7.052 -3.286 1.00 0.00 O ATOM 553 CB VAL A 36 9.496 -4.236 -3.187 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.766 -4.368 -4.015 1.00 0.00 C ATOM 555 CG2 VAL A 36 9.217 -2.779 -2.852 1.00 0.00 C ATOM 0 H VAL A 36 7.176 -4.240 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 36 8.171 -4.348 -4.886 1.00 0.00 H new ATOM 0 HB VAL A 36 9.642 -4.778 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.601 -3.924 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.972 -5.422 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.635 -3.853 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.073 -2.356 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.044 -2.221 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.333 -2.714 -2.217 1.00 0.00 H new ATOM 565 N ALA A 37 8.319 -6.782 -5.405 1.00 0.00 N ATOM 566 CA ALA A 37 8.547 -8.174 -5.774 1.00 0.00 C ATOM 567 C ALA A 37 10.005 -8.410 -6.150 1.00 0.00 C ATOM 568 O ALA A 37 10.600 -9.416 -5.763 1.00 0.00 O ATOM 569 CB ALA A 37 7.632 -8.571 -6.923 1.00 0.00 C ATOM 0 H ALA A 37 7.950 -6.201 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 37 8.317 -8.796 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.812 -9.613 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.592 -8.449 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.835 -7.936 -7.786 1.00 0.00 H new ATOM 575 N ASP A 38 10.575 -7.478 -6.906 1.00 0.00 N ATOM 576 CA ASP A 38 11.965 -7.585 -7.334 1.00 0.00 C ATOM 577 C ASP A 38 12.649 -6.222 -7.305 1.00 0.00 C ATOM 578 O ASP A 38 12.098 -5.228 -7.780 1.00 0.00 O ATOM 579 CB ASP A 38 12.043 -8.179 -8.741 1.00 0.00 C ATOM 580 CG ASP A 38 13.387 -8.821 -9.025 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.352 -8.078 -9.305 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.475 -10.065 -8.966 1.00 0.00 O ATOM 0 H ASP A 38 10.096 -6.640 -7.235 1.00 0.00 H new ATOM 0 HA ASP A 38 12.483 -8.246 -6.640 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.255 -8.923 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.856 -7.394 -9.474 1.00 0.00 H new ATOM 587 N THR A 39 13.854 -6.182 -6.744 1.00 0.00 N ATOM 588 CA THR A 39 14.612 -4.941 -6.652 1.00 0.00 C ATOM 589 C THR A 39 15.791 -4.943 -7.618 1.00 0.00 C ATOM 590 O THR A 39 16.737 -5.714 -7.456 1.00 0.00 O ATOM 591 CB THR A 39 15.136 -4.708 -5.222 1.00 0.00 C ATOM 592 OG1 THR A 39 15.922 -5.828 -4.799 1.00 0.00 O ATOM 593 CG2 THR A 39 13.984 -4.496 -4.251 1.00 0.00 C ATOM 0 H THR A 39 14.325 -6.995 -6.347 1.00 0.00 H new ATOM 0 HA THR A 39 13.929 -4.134 -6.918 1.00 0.00 H new ATOM 0 HB THR A 39 15.756 -3.811 -5.228 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.465 -6.149 -5.549 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.379 -4.334 -3.248 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.405 -3.625 -4.558 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.342 -5.377 -4.250 1.00 0.00 H new ATOM 601 N ASP A 40 15.728 -4.076 -8.622 1.00 0.00 N ATOM 602 CA ASP A 40 16.793 -3.977 -9.615 1.00 0.00 C ATOM 603 C ASP A 40 17.865 -2.990 -9.165 1.00 0.00 C ATOM 604 O ASP A 40 17.808 -2.459 -8.056 1.00 0.00 O ATOM 605 CB ASP A 40 16.220 -3.547 -10.966 1.00 0.00 C ATOM 606 CG ASP A 40 17.043 -4.058 -12.133 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.348 -5.269 -12.159 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.383 -3.247 -13.019 1.00 0.00 O ATOM 0 H ASP A 40 14.951 -3.432 -8.771 1.00 0.00 H new ATOM 0 HA ASP A 40 17.252 -4.960 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.198 -3.914 -11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.172 -2.459 -11.008 1.00 0.00 H new ATOM 613 N ASP A 41 18.842 -2.750 -10.033 1.00 0.00 N ATOM 614 CA ASP A 41 19.928 -1.826 -9.725 1.00 0.00 C ATOM 615 C ASP A 41 19.382 -0.504 -9.195 1.00 0.00 C ATOM 616 O ASP A 41 19.639 -0.128 -8.051 1.00 0.00 O ATOM 617 CB ASP A 41 20.783 -1.578 -10.969 1.00 0.00 C ATOM 618 CG ASP A 41 21.485 -2.833 -11.448 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.408 -3.300 -10.750 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.111 -3.349 -12.523 1.00 0.00 O ATOM 0 H ASP A 41 18.904 -3.182 -10.955 1.00 0.00 H new ATOM 0 HA ASP A 41 20.549 -2.278 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.152 -1.190 -11.769 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.526 -0.811 -10.749 1.00 0.00 H new ATOM 625 N HIS A 42 18.630 0.200 -10.036 1.00 0.00 N ATOM 626 CA HIS A 42 18.049 1.481 -9.652 1.00 0.00 C ATOM 627 C HIS A 42 16.537 1.475 -9.856 1.00 0.00 C ATOM 628 O HIS A 42 15.929 2.517 -10.100 1.00 0.00 O ATOM 629 CB HIS A 42 18.679 2.614 -10.463 1.00 0.00 C ATOM 630 CG HIS A 42 20.106 2.359 -10.838 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.170 2.980 -10.218 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.643 1.544 -11.776 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.299 2.559 -10.759 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.007 1.687 -11.707 1.00 0.00 N ATOM 0 H HIS A 42 18.409 -0.095 -10.987 1.00 0.00 H new ATOM 0 HA HIS A 42 18.255 1.643 -8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.095 2.769 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.623 3.537 -9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.100 0.901 -12.453 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.292 2.874 -10.475 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.685 1.199 -12.293 1.00 0.00 H new ATOM 643 N ARG A 43 15.936 0.294 -9.753 1.00 0.00 N ATOM 644 CA ARG A 43 14.495 0.152 -9.928 1.00 0.00 C ATOM 645 C ARG A 43 13.945 -0.953 -9.030 1.00 0.00 C ATOM 646 O ARG A 43 14.703 -1.711 -8.425 1.00 0.00 O ATOM 647 CB ARG A 43 14.165 -0.154 -11.390 1.00 0.00 C ATOM 648 CG ARG A 43 15.022 0.617 -12.381 1.00 0.00 C ATOM 649 CD ARG A 43 14.443 0.551 -13.786 1.00 0.00 C ATOM 650 NE ARG A 43 14.827 -0.675 -14.480 1.00 0.00 N ATOM 651 CZ ARG A 43 14.466 -0.958 -15.727 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.716 -0.106 -16.413 1.00 0.00 N ATOM 653 NH2 ARG A 43 14.856 -2.094 -16.290 1.00 0.00 N ATOM 0 H ARG A 43 16.424 -0.578 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 43 14.025 1.094 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.292 -1.222 -11.567 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.116 0.077 -11.573 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.098 1.658 -12.066 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.033 0.210 -12.383 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.356 0.612 -13.733 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.783 1.414 -14.359 1.00 0.00 H new ATOM 0 HE ARG A 43 15.404 -1.351 -13.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.415 0.769 -15.983 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.440 -0.326 -17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.434 -2.751 -15.766 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.578 -2.310 -17.247 1.00 0.00 H new ATOM 667 N VAL A 44 12.621 -1.037 -8.948 1.00 0.00 N ATOM 668 CA VAL A 44 11.969 -2.048 -8.124 1.00 0.00 C ATOM 669 C VAL A 44 10.576 -2.373 -8.653 1.00 0.00 C ATOM 670 O VAL A 44 9.702 -1.507 -8.706 1.00 0.00 O ATOM 671 CB VAL A 44 11.855 -1.590 -6.658 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.236 -1.416 -6.044 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.054 -0.300 -6.564 1.00 0.00 C ATOM 0 H VAL A 44 11.979 -0.417 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 44 12.590 -2.942 -8.170 1.00 0.00 H new ATOM 0 HB VAL A 44 11.328 -2.360 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.135 -1.092 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.771 -2.365 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.792 -0.666 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.983 0.009 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.551 0.480 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.053 -0.464 -6.963 1.00 0.00 H new ATOM 683 N LYS A 45 10.376 -3.627 -9.044 1.00 0.00 N ATOM 684 CA LYS A 45 9.089 -4.069 -9.568 1.00 0.00 C ATOM 685 C LYS A 45 8.008 -3.990 -8.494 1.00 0.00 C ATOM 686 O LYS A 45 8.023 -4.752 -7.527 1.00 0.00 O ATOM 687 CB LYS A 45 9.195 -5.501 -10.096 1.00 0.00 C ATOM 688 CG LYS A 45 8.005 -5.929 -10.938 1.00 0.00 C ATOM 689 CD LYS A 45 8.325 -7.158 -11.772 1.00 0.00 C ATOM 690 CE LYS A 45 7.448 -7.233 -13.013 1.00 0.00 C ATOM 691 NZ LYS A 45 7.324 -8.628 -13.520 1.00 0.00 N ATOM 0 H LYS A 45 11.089 -4.355 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 45 8.811 -3.406 -10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.103 -5.593 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.297 -6.184 -9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.156 -6.140 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.709 -5.110 -11.594 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.374 -7.136 -12.067 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.182 -8.055 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.458 -6.841 -12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.868 -6.599 -13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.719 -8.637 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.266 -8.994 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.900 -9.228 -12.784 1.00 0.00 H new ATOM 705 N VAL A 46 7.071 -3.065 -8.671 1.00 0.00 N ATOM 706 CA VAL A 46 5.981 -2.889 -7.718 1.00 0.00 C ATOM 707 C VAL A 46 4.766 -3.720 -8.114 1.00 0.00 C ATOM 708 O VAL A 46 4.216 -3.557 -9.203 1.00 0.00 O ATOM 709 CB VAL A 46 5.564 -1.410 -7.610 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.556 -0.637 -6.754 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.442 -0.788 -8.993 1.00 0.00 C ATOM 0 H VAL A 46 7.044 -2.426 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 46 6.349 -3.227 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 46 4.588 -1.360 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.245 0.406 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.588 -1.069 -5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.547 -0.693 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.147 0.257 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.402 -0.848 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.689 -1.326 -9.569 1.00 0.00 H new ATOM 721 N HIS A 47 4.351 -4.613 -7.220 1.00 0.00 N ATOM 722 CA HIS A 47 3.199 -5.471 -7.475 1.00 0.00 C ATOM 723 C HIS A 47 1.976 -4.981 -6.704 1.00 0.00 C ATOM 724 O HIS A 47 1.979 -4.946 -5.474 1.00 0.00 O ATOM 725 CB HIS A 47 3.516 -6.915 -7.088 1.00 0.00 C ATOM 726 CG HIS A 47 2.336 -7.833 -7.178 1.00 0.00 C ATOM 727 ND1 HIS A 47 2.107 -8.660 -8.258 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.316 -8.052 -6.316 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.997 -9.347 -8.055 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.497 -8.997 -6.884 1.00 0.00 N ATOM 0 H HIS A 47 4.795 -4.761 -6.314 1.00 0.00 H new ATOM 0 HA HIS A 47 2.975 -5.430 -8.541 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.308 -7.290 -7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.903 -6.933 -6.069 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.701 -8.730 -9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.173 -7.573 -5.359 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.571 -10.072 -8.732 1.00 0.00 H new ATOM 739 N PHE A 48 0.933 -4.604 -7.436 1.00 0.00 N ATOM 740 CA PHE A 48 -0.296 -4.115 -6.822 1.00 0.00 C ATOM 741 C PHE A 48 -1.119 -5.270 -6.259 1.00 0.00 C ATOM 742 O PHE A 48 -1.853 -5.937 -6.988 1.00 0.00 O ATOM 743 CB PHE A 48 -1.125 -3.332 -7.842 1.00 0.00 C ATOM 744 CG PHE A 48 -0.597 -1.952 -8.111 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.736 -1.757 -8.437 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.433 -0.850 -8.038 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.225 -0.489 -8.686 1.00 0.00 C ATOM 748 CE2 PHE A 48 -0.950 0.421 -8.287 1.00 0.00 C ATOM 749 CZ PHE A 48 0.381 0.602 -8.610 1.00 0.00 C ATOM 0 H PHE A 48 0.914 -4.628 -8.456 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.024 -3.452 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.156 -3.890 -8.778 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.151 -3.256 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.400 -2.606 -8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.474 -0.985 -7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.266 -0.351 -8.940 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.613 1.272 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.761 1.594 -8.803 1.00 0.00 H new ATOM 759 N ASP A 49 -0.991 -5.500 -4.957 1.00 0.00 N ATOM 760 CA ASP A 49 -1.723 -6.574 -4.295 1.00 0.00 C ATOM 761 C ASP A 49 -3.111 -6.741 -4.903 1.00 0.00 C ATOM 762 O ASP A 49 -3.796 -5.760 -5.192 1.00 0.00 O ATOM 763 CB ASP A 49 -1.840 -6.291 -2.796 1.00 0.00 C ATOM 764 CG ASP A 49 -2.281 -7.510 -2.010 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.533 -8.511 -1.998 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.372 -7.463 -1.405 1.00 0.00 O ATOM 0 H ASP A 49 -0.388 -4.957 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.169 -7.501 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.877 -5.947 -2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.553 -5.482 -2.636 1.00 0.00 H new ATOM 771 N GLY A 50 -3.521 -7.991 -5.097 1.00 0.00 N ATOM 772 CA GLY A 50 -4.825 -8.264 -5.672 1.00 0.00 C ATOM 773 C GLY A 50 -4.810 -8.226 -7.187 1.00 0.00 C ATOM 774 O GLY A 50 -4.980 -9.255 -7.842 1.00 0.00 O ATOM 0 H GLY A 50 -2.973 -8.820 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.167 -9.244 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.543 -7.533 -5.300 1.00 0.00 H new ATOM 778 N TRP A 51 -4.608 -7.039 -7.746 1.00 0.00 N ATOM 779 CA TRP A 51 -4.574 -6.872 -9.195 1.00 0.00 C ATOM 780 C TRP A 51 -3.750 -7.975 -9.850 1.00 0.00 C ATOM 781 O TRP A 51 -2.998 -8.682 -9.181 1.00 0.00 O ATOM 782 CB TRP A 51 -3.996 -5.503 -9.557 1.00 0.00 C ATOM 783 CG TRP A 51 -4.833 -4.358 -9.073 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.933 -3.901 -7.789 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.688 -3.526 -9.864 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.799 -2.836 -7.735 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.275 -2.586 -8.995 1.00 0.00 C ATOM 788 CE3 TRP A 51 -6.014 -3.483 -11.222 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -7.169 -1.616 -9.442 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.901 -2.520 -11.664 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.470 -1.597 -10.777 1.00 0.00 C ATOM 0 H TRP A 51 -4.465 -6.178 -7.219 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.596 -6.937 -9.568 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.995 -5.416 -9.135 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.892 -5.435 -10.640 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.408 -4.316 -6.941 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.047 -2.316 -6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.580 -4.190 -11.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.609 -0.904 -8.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -7.160 -2.478 -12.712 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -8.160 -0.856 -11.154 1.00 0.00 H new ATOM 841 N TYR A 55 -0.512 -6.039 -14.719 1.00 0.00 N ATOM 842 CA TYR A 55 -0.598 -4.620 -14.396 1.00 0.00 C ATOM 843 C TYR A 55 0.719 -4.112 -13.818 1.00 0.00 C ATOM 844 O TYR A 55 1.046 -2.931 -13.936 1.00 0.00 O ATOM 845 CB TYR A 55 -1.735 -4.369 -13.403 1.00 0.00 C ATOM 846 CG TYR A 55 -3.101 -4.311 -14.049 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.867 -5.459 -14.205 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.625 -3.106 -14.502 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.115 -5.410 -14.794 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.873 -3.047 -15.091 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.614 -4.202 -15.236 1.00 0.00 C ATOM 852 OH TYR A 55 -6.858 -4.148 -15.822 1.00 0.00 O ATOM 0 HA TYR A 55 -0.803 -4.076 -15.318 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.731 -5.159 -12.652 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.549 -3.431 -12.880 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.480 -6.406 -13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.047 -2.201 -14.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.697 -6.312 -14.908 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.267 -2.102 -15.436 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.060 -3.223 -16.076 1.00 0.00 H new ATOM 862 N ASP A 56 1.470 -5.012 -13.195 1.00 0.00 N ATOM 863 CA ASP A 56 2.753 -4.657 -12.599 1.00 0.00 C ATOM 864 C ASP A 56 3.667 -4.000 -13.629 1.00 0.00 C ATOM 865 O ASP A 56 3.507 -4.201 -14.833 1.00 0.00 O ATOM 866 CB ASP A 56 3.430 -5.899 -12.016 1.00 0.00 C ATOM 867 CG ASP A 56 2.452 -6.809 -11.300 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.309 -6.372 -11.049 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.829 -7.959 -10.991 1.00 0.00 O ATOM 0 H ASP A 56 1.213 -5.993 -13.089 1.00 0.00 H new ATOM 0 HA ASP A 56 2.568 -3.943 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.918 -6.454 -12.818 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.211 -5.591 -11.321 1.00 0.00 H new ATOM 874 N TYR A 57 4.624 -3.215 -13.147 1.00 0.00 N ATOM 875 CA TYR A 57 5.562 -2.526 -14.026 1.00 0.00 C ATOM 876 C TYR A 57 6.847 -2.174 -13.283 1.00 0.00 C ATOM 877 O TYR A 57 6.854 -2.049 -12.058 1.00 0.00 O ATOM 878 CB TYR A 57 4.923 -1.257 -14.593 1.00 0.00 C ATOM 879 CG TYR A 57 4.150 -0.458 -13.567 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.808 0.260 -12.577 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.761 -0.422 -13.590 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.105 0.990 -11.638 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.050 0.307 -12.656 1.00 0.00 C ATOM 884 CZ TYR A 57 2.727 1.011 -11.682 1.00 0.00 C ATOM 885 OH TYR A 57 2.023 1.738 -10.749 1.00 0.00 O ATOM 0 H TYR A 57 4.771 -3.040 -12.153 1.00 0.00 H new ATOM 0 HA TYR A 57 5.812 -3.198 -14.847 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.703 -0.627 -15.019 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.253 -1.531 -15.408 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.887 0.248 -12.540 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.228 -0.973 -14.351 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.632 1.541 -10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.971 0.325 -12.688 1.00 0.00 H new ATOM 0 HH TYR A 57 1.810 1.167 -9.982 1.00 0.00 H new ATOM 895 N TRP A 58 7.931 -2.016 -14.033 1.00 0.00 N ATOM 896 CA TRP A 58 9.223 -1.677 -13.447 1.00 0.00 C ATOM 897 C TRP A 58 9.316 -0.183 -13.160 1.00 0.00 C ATOM 898 O TRP A 58 9.466 0.626 -14.076 1.00 0.00 O ATOM 899 CB TRP A 58 10.357 -2.102 -14.381 1.00 0.00 C ATOM 900 CG TRP A 58 10.836 -3.501 -14.138 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.624 -4.590 -14.934 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.604 -3.962 -13.021 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.215 -5.700 -14.380 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.823 -5.341 -13.207 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.131 -3.343 -11.884 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.544 -6.109 -12.297 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.846 -4.107 -10.981 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.048 -5.478 -11.192 1.00 0.00 C ATOM 0 H TRP A 58 7.942 -2.117 -15.048 1.00 0.00 H new ATOM 0 HA TRP A 58 9.318 -2.215 -12.504 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.019 -2.016 -15.414 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.194 -1.414 -14.261 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.073 -4.580 -15.863 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.203 -6.639 -14.778 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.982 -2.287 -11.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.700 -7.166 -12.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.256 -3.640 -10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.612 -6.048 -10.468 1.00 0.00 H new ATOM 919 N ILE A 59 9.227 0.177 -11.884 1.00 0.00 N ATOM 920 CA ILE A 59 9.302 1.575 -11.478 1.00 0.00 C ATOM 921 C ILE A 59 10.619 1.871 -10.768 1.00 0.00 C ATOM 922 O ILE A 59 11.153 1.024 -10.051 1.00 0.00 O ATOM 923 CB ILE A 59 8.134 1.956 -10.549 1.00 0.00 C ATOM 924 CG1 ILE A 59 8.000 3.477 -10.460 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.339 1.354 -9.167 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.649 3.936 -9.957 1.00 0.00 C ATOM 0 H ILE A 59 9.103 -0.480 -11.114 1.00 0.00 H new ATOM 0 HA ILE A 59 9.240 2.171 -12.388 1.00 0.00 H new ATOM 0 HB ILE A 59 7.211 1.553 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.775 3.864 -9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.177 3.908 -11.446 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.506 1.632 -8.522 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.389 0.268 -9.247 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.269 1.730 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.626 5.025 -9.920 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.870 3.579 -10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.477 3.535 -8.958 1.00 0.00 H new ATOM 938 N ASP A 60 11.136 3.078 -10.970 1.00 0.00 N ATOM 939 CA ASP A 60 12.389 3.487 -10.347 1.00 0.00 C ATOM 940 C ASP A 60 12.195 3.747 -8.856 1.00 0.00 C ATOM 941 O ASP A 60 11.323 4.520 -8.459 1.00 0.00 O ATOM 942 CB ASP A 60 12.936 4.742 -11.029 1.00 0.00 C ATOM 943 CG ASP A 60 13.403 4.473 -12.446 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.573 4.575 -13.373 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.599 4.160 -12.628 1.00 0.00 O ATOM 0 H ASP A 60 10.706 3.790 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 60 13.107 2.676 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.163 5.510 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.767 5.137 -10.444 1.00 0.00 H new ATOM 950 N ALA A 61 13.012 3.095 -8.035 1.00 0.00 N ATOM 951 CA ALA A 61 12.930 3.256 -6.589 1.00 0.00 C ATOM 952 C ALA A 61 13.146 4.711 -6.186 1.00 0.00 C ATOM 953 O ALA A 61 12.760 5.126 -5.093 1.00 0.00 O ATOM 954 CB ALA A 61 13.948 2.359 -5.900 1.00 0.00 C ATOM 0 H ALA A 61 13.738 2.450 -8.347 1.00 0.00 H new ATOM 0 HA ALA A 61 11.929 2.963 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.876 2.489 -4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.747 1.318 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.951 2.626 -6.231 1.00 0.00 H new ATOM 960 N ASP A 62 13.766 5.480 -7.074 1.00 0.00 N ATOM 961 CA ASP A 62 14.034 6.889 -6.810 1.00 0.00 C ATOM 962 C ASP A 62 12.957 7.772 -7.433 1.00 0.00 C ATOM 963 O ASP A 62 13.056 8.999 -7.410 1.00 0.00 O ATOM 964 CB ASP A 62 15.409 7.280 -7.354 1.00 0.00 C ATOM 965 CG ASP A 62 16.542 6.670 -6.553 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.899 7.241 -5.501 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.074 5.623 -6.979 1.00 0.00 O ATOM 0 H ASP A 62 14.092 5.152 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 62 14.023 7.040 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.490 6.961 -8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.505 8.366 -7.345 1.00 0.00 H new ATOM 972 N SER A 63 11.929 7.139 -7.991 1.00 0.00 N ATOM 973 CA SER A 63 10.836 7.867 -8.625 1.00 0.00 C ATOM 974 C SER A 63 10.062 8.687 -7.597 1.00 0.00 C ATOM 975 O SER A 63 9.845 8.263 -6.462 1.00 0.00 O ATOM 976 CB SER A 63 9.892 6.895 -9.335 1.00 0.00 C ATOM 977 OG SER A 63 8.934 7.591 -10.112 1.00 0.00 O ATOM 0 H SER A 63 11.831 6.124 -8.017 1.00 0.00 H new ATOM 0 HA SER A 63 11.264 8.549 -9.360 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.468 6.226 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.384 6.272 -8.598 1.00 0.00 H new ATOM 0 HG SER A 63 8.032 7.333 -9.828 1.00 0.00 H new ATOM 983 N PRO A 64 9.634 9.892 -8.004 1.00 0.00 N ATOM 984 CA PRO A 64 8.876 10.797 -7.135 1.00 0.00 C ATOM 985 C PRO A 64 7.469 10.285 -6.850 1.00 0.00 C ATOM 986 O PRO A 64 6.880 10.600 -5.815 1.00 0.00 O ATOM 987 CB PRO A 64 8.819 12.097 -7.941 1.00 0.00 C ATOM 988 CG PRO A 64 8.959 11.669 -9.361 1.00 0.00 C ATOM 989 CD PRO A 64 9.856 10.462 -9.343 1.00 0.00 C ATOM 0 HA PRO A 64 9.342 10.906 -6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.879 12.623 -7.777 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.620 12.777 -7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.988 11.427 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.389 12.466 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.593 9.754 -10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.900 10.735 -9.495 1.00 0.00 H new ATOM 997 N ASP A 65 6.934 9.493 -7.773 1.00 0.00 N ATOM 998 CA ASP A 65 5.596 8.935 -7.620 1.00 0.00 C ATOM 999 C ASP A 65 5.562 7.903 -6.497 1.00 0.00 C ATOM 1000 O ASP A 65 4.574 7.794 -5.770 1.00 0.00 O ATOM 1001 CB ASP A 65 5.133 8.297 -8.931 1.00 0.00 C ATOM 1002 CG ASP A 65 5.736 8.971 -10.147 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.506 10.185 -10.329 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.440 8.284 -10.917 1.00 0.00 O ATOM 0 H ASP A 65 7.407 9.223 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 65 4.918 9.748 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.403 7.241 -8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.046 8.348 -8.993 1.00 0.00 H new ATOM 1009 N ILE A 66 6.647 7.147 -6.363 1.00 0.00 N ATOM 1010 CA ILE A 66 6.741 6.123 -5.330 1.00 0.00 C ATOM 1011 C ILE A 66 6.626 6.736 -3.938 1.00 0.00 C ATOM 1012 O ILE A 66 7.456 7.552 -3.536 1.00 0.00 O ATOM 1013 CB ILE A 66 8.066 5.345 -5.427 1.00 0.00 C ATOM 1014 CG1 ILE A 66 8.041 4.403 -6.633 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.318 4.566 -4.145 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.355 3.693 -6.872 1.00 0.00 C ATOM 0 H ILE A 66 7.473 7.225 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 66 5.912 5.434 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 66 8.880 6.057 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.257 3.660 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.778 4.973 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.258 4.021 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.373 5.257 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.503 3.860 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.264 3.042 -7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.139 4.429 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.610 3.095 -5.997 1.00 0.00 H new ATOM 1028 N HIS A 67 5.591 6.335 -3.205 1.00 0.00 N ATOM 1029 CA HIS A 67 5.368 6.843 -1.856 1.00 0.00 C ATOM 1030 C HIS A 67 5.335 5.701 -0.844 1.00 0.00 C ATOM 1031 O HIS A 67 4.813 4.618 -1.111 1.00 0.00 O ATOM 1032 CB HIS A 67 4.060 7.632 -1.795 1.00 0.00 C ATOM 1033 CG HIS A 67 4.056 8.852 -2.663 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.870 9.942 -2.435 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.331 9.150 -3.767 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.644 10.858 -3.359 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.716 10.402 -4.180 1.00 0.00 N ATOM 0 H HIS A 67 4.895 5.661 -3.523 1.00 0.00 H new ATOM 0 HA HIS A 67 6.195 7.506 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.238 6.981 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.872 7.929 -0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.589 8.521 -4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.135 11.817 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.345 10.899 -4.990 1.00 0.00 H new ATOM 1046 N PRO A 68 5.906 5.946 0.344 1.00 0.00 N ATOM 1047 CA PRO A 68 5.955 4.950 1.419 1.00 0.00 C ATOM 1048 C PRO A 68 4.581 4.682 2.024 1.00 0.00 C ATOM 1049 O PRO A 68 3.675 5.511 1.924 1.00 0.00 O ATOM 1050 CB PRO A 68 6.880 5.592 2.456 1.00 0.00 C ATOM 1051 CG PRO A 68 6.765 7.057 2.211 1.00 0.00 C ATOM 1052 CD PRO A 68 6.548 7.213 0.731 1.00 0.00 C ATOM 0 HA PRO A 68 6.302 3.981 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.576 5.335 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.908 5.250 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.935 7.483 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.667 7.578 2.530 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.913 8.070 0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.488 7.365 0.201 1.00 0.00 H new ATOM 1060 N VAL A 69 4.432 3.521 2.653 1.00 0.00 N ATOM 1061 CA VAL A 69 3.168 3.145 3.276 1.00 0.00 C ATOM 1062 C VAL A 69 2.752 4.163 4.331 1.00 0.00 C ATOM 1063 O VAL A 69 3.308 4.199 5.428 1.00 0.00 O ATOM 1064 CB VAL A 69 3.256 1.752 3.928 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.123 1.556 4.922 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.238 0.664 2.864 1.00 0.00 C ATOM 0 H VAL A 69 5.171 2.824 2.745 1.00 0.00 H new ATOM 0 HA VAL A 69 2.419 3.120 2.484 1.00 0.00 H new ATOM 0 HB VAL A 69 4.199 1.682 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.201 0.567 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.187 2.316 5.701 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.167 1.645 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.301 -0.314 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.312 0.729 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.088 0.796 2.194 1.00 0.00 H new ATOM 1076 N GLY A 70 1.767 4.990 3.992 1.00 0.00 N ATOM 1077 CA GLY A 70 1.292 5.998 4.922 1.00 0.00 C ATOM 1078 C GLY A 70 1.418 7.403 4.367 1.00 0.00 C ATOM 1079 O GLY A 70 1.262 8.382 5.098 1.00 0.00 O ATOM 0 H GLY A 70 1.290 4.980 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.249 5.799 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.857 5.926 5.851 1.00 0.00 H new ATOM 1083 N TRP A 71 1.702 7.504 3.074 1.00 0.00 N ATOM 1084 CA TRP A 71 1.850 8.800 2.423 1.00 0.00 C ATOM 1085 C TRP A 71 0.506 9.510 2.310 1.00 0.00 C ATOM 1086 O TRP A 71 0.447 10.709 2.035 1.00 0.00 O ATOM 1087 CB TRP A 71 2.469 8.629 1.035 1.00 0.00 C ATOM 1088 CG TRP A 71 2.240 9.804 0.133 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.163 10.734 -0.252 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.008 10.176 -0.494 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.579 11.661 -1.081 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.258 11.341 -1.245 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.282 9.638 -0.495 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.265 11.974 -1.988 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.266 10.268 -1.232 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.989 11.425 -1.971 1.00 0.00 C ATOM 0 H TRP A 71 1.834 6.704 2.455 1.00 0.00 H new ATOM 0 HA TRP A 71 2.512 9.412 3.035 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.541 8.465 1.141 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.055 7.735 0.568 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.200 10.740 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.053 12.458 -1.505 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.506 8.745 0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.477 12.867 -2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.266 9.861 -1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.780 11.893 -2.538 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.572 8.763 2.522 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.917 9.321 2.443 1.00 0.00 C ATOM 1109 C CYS A 72 -2.137 10.367 3.532 1.00 0.00 C ATOM 1110 O CYS A 72 -3.005 11.231 3.411 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.961 8.211 2.568 1.00 0.00 C ATOM 1112 SG CYS A 72 -3.108 7.519 4.232 1.00 0.00 S ATOM 0 H CYS A 72 -0.541 7.769 2.750 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.026 9.805 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.931 8.603 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.708 7.409 1.874 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.017 6.590 4.237 1.00 0.00 H new ATOM 1118 N SER A 73 -1.344 10.281 4.596 1.00 0.00 N ATOM 1119 CA SER A 73 -1.456 11.217 5.709 1.00 0.00 C ATOM 1120 C SER A 73 -0.734 12.524 5.394 1.00 0.00 C ATOM 1121 O SER A 73 -1.327 13.602 5.442 1.00 0.00 O ATOM 1122 CB SER A 73 -0.880 10.597 6.983 1.00 0.00 C ATOM 1123 OG SER A 73 -1.857 9.828 7.663 1.00 0.00 O ATOM 0 H SER A 73 -0.618 9.574 4.711 1.00 0.00 H new ATOM 0 HA SER A 73 -2.513 11.434 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.027 9.967 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.511 11.385 7.640 1.00 0.00 H new ATOM 0 HG SER A 73 -1.463 9.441 8.473 1.00 0.00 H new ATOM 1129 N LYS A 74 0.551 12.420 5.073 1.00 0.00 N ATOM 1130 CA LYS A 74 1.357 13.591 4.749 1.00 0.00 C ATOM 1131 C LYS A 74 0.527 14.634 4.006 1.00 0.00 C ATOM 1132 O LYS A 74 0.159 15.666 4.569 1.00 0.00 O ATOM 1133 CB LYS A 74 2.564 13.186 3.900 1.00 0.00 C ATOM 1134 CG LYS A 74 3.620 12.415 4.672 1.00 0.00 C ATOM 1135 CD LYS A 74 4.608 11.735 3.740 1.00 0.00 C ATOM 1136 CE LYS A 74 5.755 12.663 3.370 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.435 13.490 2.174 1.00 0.00 N ATOM 0 H LYS A 74 1.057 11.535 5.030 1.00 0.00 H new ATOM 0 HA LYS A 74 1.708 14.029 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.221 12.577 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.017 14.083 3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.154 13.094 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.138 11.667 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.003 10.839 4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.093 11.412 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.981 13.316 4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.651 12.073 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.164 13.345 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.508 13.209 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.410 14.494 2.443 1.00 0.00 H new ATOM 1151 N THR A 75 0.233 14.357 2.740 1.00 0.00 N ATOM 1152 CA THR A 75 -0.554 15.271 1.921 1.00 0.00 C ATOM 1153 C THR A 75 -2.024 15.244 2.325 1.00 0.00 C ATOM 1154 O THR A 75 -2.731 16.243 2.199 1.00 0.00 O ATOM 1155 CB THR A 75 -0.438 14.926 0.424 1.00 0.00 C ATOM 1156 OG1 THR A 75 -1.192 13.743 0.134 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.016 14.716 0.028 1.00 0.00 C ATOM 0 H THR A 75 0.528 13.507 2.259 1.00 0.00 H new ATOM 0 HA THR A 75 -0.152 16.270 2.088 1.00 0.00 H new ATOM 0 HB THR A 75 -0.838 15.761 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.731 13.223 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.073 14.474 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.581 15.627 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.437 13.896 0.610 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.478 14.093 2.811 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.862 13.958 3.226 1.00 0.00 C ATOM 1167 C GLY A 76 -4.760 13.478 2.104 1.00 0.00 C ATOM 1168 O GLY A 76 -5.962 13.750 2.100 1.00 0.00 O ATOM 0 H GLY A 76 -1.912 13.252 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.921 13.258 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.224 14.919 3.591 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.178 12.763 1.146 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.934 12.246 0.011 1.00 0.00 C ATOM 1174 C HIS A 77 -5.580 10.907 0.354 1.00 0.00 C ATOM 1175 O HIS A 77 -5.023 10.091 1.090 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.023 12.089 -1.207 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.916 13.329 -2.039 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.869 14.597 -1.498 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.845 13.492 -3.381 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.776 15.485 -2.471 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.759 14.841 -3.623 1.00 0.00 N ATOM 0 H HIS A 77 -3.185 12.529 1.133 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.723 12.961 -0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.027 11.800 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.398 11.276 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.854 12.707 -4.123 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.723 16.556 -2.345 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.693 15.275 -4.544 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.784 10.673 -0.190 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.532 9.434 0.045 1.00 0.00 C ATOM 1192 C PRO A 78 -6.884 8.230 -0.630 1.00 0.00 C ATOM 1193 O PRO A 78 -6.564 8.269 -1.819 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.900 9.724 -0.576 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.636 10.762 -1.611 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.507 11.600 -1.076 1.00 0.00 C ATOM 0 HA PRO A 78 -7.575 9.177 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.332 8.826 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.606 10.083 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.366 10.305 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.523 11.370 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.868 11.971 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.875 12.470 -0.533 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.694 7.161 0.135 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.085 5.943 -0.390 1.00 0.00 C ATOM 1206 C LEU A 79 -7.152 4.935 -0.802 1.00 0.00 C ATOM 1207 O LEU A 79 -8.266 4.948 -0.280 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.157 5.322 0.656 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.231 4.213 0.157 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.192 4.775 -0.800 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.556 3.514 1.329 1.00 0.00 C ATOM 0 H LEU A 79 -6.953 7.112 1.120 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.502 6.208 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.544 6.115 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.769 4.921 1.463 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.832 3.480 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.542 3.971 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.693 5.229 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.595 5.529 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.901 2.727 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.969 4.237 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.315 3.076 1.977 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.801 4.061 -1.740 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.729 3.044 -2.222 1.00 0.00 C ATOM 1225 C GLN A 80 -7.200 1.643 -1.933 1.00 0.00 C ATOM 1226 O GLN A 80 -6.082 1.287 -2.307 1.00 0.00 O ATOM 1227 CB GLN A 80 -7.969 3.212 -3.723 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.660 4.517 -4.086 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.072 4.601 -3.542 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.972 3.903 -4.008 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.273 5.459 -2.548 1.00 0.00 N ATOM 0 H GLN A 80 -5.882 4.036 -2.181 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.674 3.172 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.013 3.160 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.573 2.379 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.076 5.352 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.686 4.620 -5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.498 6.018 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.203 5.559 -2.140 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.019 0.829 -1.252 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.654 -0.546 -0.898 1.00 0.00 C ATOM 1242 C PRO A 81 -7.597 -1.462 -2.116 1.00 0.00 C ATOM 1243 O PRO A 81 -8.143 -1.159 -3.177 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.779 -0.980 0.045 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.942 -0.130 -0.336 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.365 1.188 -0.775 1.00 0.00 C ATOM 0 HA PRO A 81 -6.661 -0.602 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.008 -2.039 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.502 -0.828 1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.516 -0.592 -1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.621 0.002 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.962 1.645 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.323 1.902 0.047 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.920 -2.610 -1.962 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.776 -3.594 -3.039 1.00 0.00 C ATOM 1256 C PRO A 82 -8.089 -4.298 -3.361 1.00 0.00 C ATOM 1257 O PRO A 82 -9.138 -3.960 -2.809 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.759 -4.590 -2.476 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.893 -4.472 -0.997 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.243 -3.035 -0.726 1.00 0.00 C ATOM 0 HA PRO A 82 -6.466 -3.130 -3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.970 -5.605 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.747 -4.350 -2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.668 -5.140 -0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.964 -4.748 -0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.894 -2.937 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.355 -2.435 -0.528 1.00 0.00 H new