USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 159:sc= 0 (180deg=-0.174) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -153:sc= -2.39! USER MOD Single : A 25 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-8.1!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -5.46! C(o=-5.5!,f=-5.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.76 F(o=-2.3!,f=-1.8) USER MOD Single : A 52 THR OG1 : rot 137:sc= -1.18 USER MOD Single : A 53 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 29:sc= -1.5! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -122:sc= -1.62! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.602 F(o=-5!,f=-0.6) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -6.75! C(o=-11!,f=-6.8!) USER MOD Single : A 92 ASN : amide:sc= -0.655 X(o=-0.65,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -4.069 5.011 10.048 1.00 0.00 N ATOM 157 CA TYR A 10 -4.043 4.912 8.598 1.00 0.00 C ATOM 158 C TYR A 10 -5.406 5.261 7.999 1.00 0.00 C ATOM 159 O TYR A 10 -6.407 4.618 8.309 1.00 0.00 O ATOM 160 CB TYR A 10 -3.719 3.450 8.283 1.00 0.00 C ATOM 161 CG TYR A 10 -4.900 2.496 8.471 1.00 0.00 C ATOM 162 CD1 TYR A 10 -5.424 2.289 9.731 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.441 1.843 7.383 1.00 0.00 C ATOM 164 CE1 TYR A 10 -6.537 1.391 9.908 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.553 0.946 7.561 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.046 0.764 8.814 1.00 0.00 C ATOM 167 OH TYR A 10 -8.096 -0.084 8.983 1.00 0.00 O ATOM 0 HA TYR A 10 -3.312 5.603 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.369 3.380 7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.898 3.125 8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.000 2.799 10.583 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.030 2.005 6.397 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.958 1.220 10.888 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.986 0.429 6.717 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.356 -0.459 8.116 1.00 0.00 H new ATOM 177 N LYS A 11 -5.400 6.279 7.150 1.00 0.00 N ATOM 178 CA LYS A 11 -6.623 6.721 6.505 1.00 0.00 C ATOM 179 C LYS A 11 -6.397 6.805 4.994 1.00 0.00 C ATOM 180 O LYS A 11 -5.274 6.635 4.520 1.00 0.00 O ATOM 181 CB LYS A 11 -7.114 8.032 7.126 1.00 0.00 C ATOM 182 CG LYS A 11 -8.088 7.762 8.274 1.00 0.00 C ATOM 183 CD LYS A 11 -9.224 8.786 8.280 1.00 0.00 C ATOM 184 CE LYS A 11 -10.215 8.513 7.145 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.048 9.709 6.886 1.00 0.00 N ATOM 0 H LYS A 11 -4.567 6.810 6.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.422 5.998 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.263 8.606 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.603 8.639 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.500 6.757 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.555 7.799 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.744 8.752 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.814 9.790 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.674 8.237 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.852 7.668 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.715 9.507 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.579 9.955 7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.437 10.506 6.616 1.00 0.00 H new ATOM 199 N CYS A 12 -7.481 7.067 4.278 1.00 0.00 N ATOM 200 CA CYS A 12 -7.414 7.175 2.830 1.00 0.00 C ATOM 201 C CYS A 12 -6.224 8.066 2.470 1.00 0.00 C ATOM 202 O CYS A 12 -5.959 9.058 3.147 1.00 0.00 O ATOM 203 CB CYS A 12 -8.724 7.704 2.243 1.00 0.00 C ATOM 204 SG CYS A 12 -9.058 6.896 0.635 1.00 0.00 S ATOM 0 H CYS A 12 -8.411 7.208 4.674 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.270 6.187 2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.545 7.513 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.663 8.784 2.111 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.173 7.349 0.145 1.00 0.00 H new ATOM 210 N GLY A 13 -5.538 7.680 1.403 1.00 0.00 N ATOM 211 CA GLY A 13 -4.383 8.432 0.945 1.00 0.00 C ATOM 212 C GLY A 13 -3.119 8.006 1.693 1.00 0.00 C ATOM 213 O GLY A 13 -2.029 8.497 1.408 1.00 0.00 O ATOM 0 H GLY A 13 -5.761 6.857 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.246 8.278 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.556 9.498 1.094 1.00 0.00 H new ATOM 217 N ASP A 14 -3.307 7.096 2.637 1.00 0.00 N ATOM 218 CA ASP A 14 -2.196 6.596 3.428 1.00 0.00 C ATOM 219 C ASP A 14 -1.560 5.403 2.713 1.00 0.00 C ATOM 220 O ASP A 14 -2.261 4.579 2.128 1.00 0.00 O ATOM 221 CB ASP A 14 -2.668 6.125 4.806 1.00 0.00 C ATOM 222 CG ASP A 14 -1.559 5.629 5.734 1.00 0.00 C ATOM 223 OD1 ASP A 14 -0.912 4.626 5.361 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.380 6.263 6.797 1.00 0.00 O ATOM 0 H ASP A 14 -4.213 6.692 2.872 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.479 7.407 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.190 6.947 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.393 5.323 4.670 1.00 0.00 H new ATOM 229 N LEU A 15 -0.237 5.348 2.783 1.00 0.00 N ATOM 230 CA LEU A 15 0.501 4.270 2.148 1.00 0.00 C ATOM 231 C LEU A 15 0.949 3.268 3.215 1.00 0.00 C ATOM 232 O LEU A 15 1.334 3.660 4.316 1.00 0.00 O ATOM 233 CB LEU A 15 1.650 4.829 1.308 1.00 0.00 C ATOM 234 CG LEU A 15 2.719 3.822 0.879 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.702 3.546 2.017 1.00 0.00 C ATOM 236 CD2 LEU A 15 2.080 2.535 0.349 1.00 0.00 C ATOM 0 H LEU A 15 0.342 6.033 3.270 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.138 3.729 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.230 5.286 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.135 5.624 1.875 1.00 0.00 H new ATOM 0 HG LEU A 15 3.290 4.260 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.451 2.827 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.194 4.475 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.163 3.139 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.862 1.837 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.469 2.084 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.454 2.768 -0.512 1.00 0.00 H new ATOM 248 N VAL A 16 0.887 1.996 2.851 1.00 0.00 N ATOM 249 CA VAL A 16 1.282 0.936 3.764 1.00 0.00 C ATOM 250 C VAL A 16 1.700 -0.294 2.958 1.00 0.00 C ATOM 251 O VAL A 16 1.639 -0.287 1.728 1.00 0.00 O ATOM 252 CB VAL A 16 0.151 0.647 4.751 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.321 1.465 6.034 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.215 0.906 4.113 1.00 0.00 C ATOM 0 H VAL A 16 0.569 1.675 1.936 1.00 0.00 H new ATOM 0 HA VAL A 16 2.142 1.244 4.358 1.00 0.00 H new ATOM 0 HB VAL A 16 0.201 -0.409 5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.496 1.241 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.270 1.210 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.311 2.528 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.001 0.692 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.280 1.949 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.338 0.261 3.243 1.00 0.00 H new ATOM 264 N PHE A 17 2.118 -1.323 3.681 1.00 0.00 N ATOM 265 CA PHE A 17 2.546 -2.559 3.047 1.00 0.00 C ATOM 266 C PHE A 17 1.380 -3.540 2.916 1.00 0.00 C ATOM 267 O PHE A 17 0.831 -3.996 3.917 1.00 0.00 O ATOM 268 CB PHE A 17 3.616 -3.176 3.952 1.00 0.00 C ATOM 269 CG PHE A 17 5.050 -2.918 3.483 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.505 -3.496 2.339 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.868 -2.113 4.211 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.837 -3.257 1.904 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.199 -1.874 3.777 1.00 0.00 C ATOM 274 CZ PHE A 17 7.655 -2.450 2.632 1.00 0.00 C ATOM 0 H PHE A 17 2.169 -1.326 4.700 1.00 0.00 H new ATOM 0 HA PHE A 17 2.926 -2.353 2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.497 -2.780 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.452 -4.252 4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.855 -4.136 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.506 -1.655 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.199 -3.716 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.849 -1.235 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.667 -2.267 2.301 1.00 0.00 H new ATOM 284 N ALA A 18 1.036 -3.837 1.671 1.00 0.00 N ATOM 285 CA ALA A 18 -0.055 -4.756 1.394 1.00 0.00 C ATOM 286 C ALA A 18 0.506 -6.032 0.765 1.00 0.00 C ATOM 287 O ALA A 18 1.295 -5.968 -0.177 1.00 0.00 O ATOM 288 CB ALA A 18 -1.087 -4.068 0.499 1.00 0.00 C ATOM 0 H ALA A 18 1.494 -3.457 0.843 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.562 -5.040 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.905 -4.757 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.476 -3.185 1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.616 -3.771 -0.438 1.00 0.00 H new ATOM 294 N LYS A 19 0.076 -7.160 1.310 1.00 0.00 N ATOM 295 CA LYS A 19 0.526 -8.449 0.813 1.00 0.00 C ATOM 296 C LYS A 19 -0.682 -9.258 0.335 1.00 0.00 C ATOM 297 O LYS A 19 -1.803 -9.032 0.790 1.00 0.00 O ATOM 298 CB LYS A 19 1.367 -9.168 1.870 1.00 0.00 C ATOM 299 CG LYS A 19 0.656 -10.424 2.376 1.00 0.00 C ATOM 300 CD LYS A 19 1.233 -10.876 3.718 1.00 0.00 C ATOM 301 CE LYS A 19 1.430 -12.394 3.747 1.00 0.00 C ATOM 302 NZ LYS A 19 2.727 -12.737 4.370 1.00 0.00 N ATOM 0 H LYS A 19 -0.579 -7.208 2.090 1.00 0.00 H new ATOM 0 HA LYS A 19 1.182 -8.316 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.334 -9.439 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.561 -8.495 2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.410 -10.225 2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.759 -11.225 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.187 -10.378 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.564 -10.577 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.618 -12.861 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.391 -12.791 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.844 -13.770 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.500 -12.307 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.750 -12.375 5.345 1.00 0.00 H new ATOM 316 N MET A 20 -0.414 -10.183 -0.573 1.00 0.00 N ATOM 317 CA MET A 20 -1.466 -11.026 -1.117 1.00 0.00 C ATOM 318 C MET A 20 -1.047 -12.497 -1.113 1.00 0.00 C ATOM 319 O MET A 20 0.133 -12.810 -0.960 1.00 0.00 O ATOM 320 CB MET A 20 -1.783 -10.589 -2.549 1.00 0.00 C ATOM 321 CG MET A 20 -3.217 -10.957 -2.930 1.00 0.00 C ATOM 322 SD MET A 20 -4.108 -9.497 -3.439 1.00 0.00 S ATOM 323 CE MET A 20 -5.338 -10.238 -4.501 1.00 0.00 C ATOM 0 H MET A 20 0.517 -10.368 -0.947 1.00 0.00 H new ATOM 0 HA MET A 20 -2.352 -10.918 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.643 -9.512 -2.644 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.086 -11.063 -3.240 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.211 -11.689 -3.738 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.719 -11.422 -2.082 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.184 -9.559 -4.606 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.903 -10.431 -5.482 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.678 -11.177 -4.064 1.00 0.00 H new ATOM 333 N LYS A 21 -2.037 -13.362 -1.282 1.00 0.00 N ATOM 334 CA LYS A 21 -1.785 -14.792 -1.300 1.00 0.00 C ATOM 335 C LYS A 21 -0.765 -15.114 -2.394 1.00 0.00 C ATOM 336 O LYS A 21 -1.018 -14.873 -3.575 1.00 0.00 O ATOM 337 CB LYS A 21 -3.097 -15.566 -1.437 1.00 0.00 C ATOM 338 CG LYS A 21 -2.871 -17.068 -1.258 1.00 0.00 C ATOM 339 CD LYS A 21 -3.431 -17.551 0.081 1.00 0.00 C ATOM 340 CE LYS A 21 -2.800 -18.885 0.489 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.677 -20.013 0.102 1.00 0.00 N ATOM 0 H LYS A 21 -3.015 -13.099 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.349 -15.112 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.811 -15.211 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.535 -15.375 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.349 -17.611 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.805 -17.288 -1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.239 -16.803 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.513 -17.663 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.826 -18.994 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.632 -18.900 1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.234 -20.910 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.597 -19.916 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.816 -20.007 -0.929 1.00 0.00 H new ATOM 355 N GLY A 22 0.367 -15.653 -1.965 1.00 0.00 N ATOM 356 CA GLY A 22 1.426 -16.009 -2.893 1.00 0.00 C ATOM 357 C GLY A 22 2.335 -14.811 -3.175 1.00 0.00 C ATOM 358 O GLY A 22 3.461 -14.976 -3.642 1.00 0.00 O ATOM 0 H GLY A 22 0.574 -15.852 -0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.015 -16.828 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.991 -16.368 -3.826 1.00 0.00 H new ATOM 362 N TYR A 23 1.812 -13.630 -2.879 1.00 0.00 N ATOM 363 CA TYR A 23 2.561 -12.404 -3.094 1.00 0.00 C ATOM 364 C TYR A 23 3.116 -11.862 -1.775 1.00 0.00 C ATOM 365 O TYR A 23 2.394 -11.771 -0.784 1.00 0.00 O ATOM 366 CB TYR A 23 1.564 -11.396 -3.667 1.00 0.00 C ATOM 367 CG TYR A 23 2.193 -10.363 -4.605 1.00 0.00 C ATOM 368 CD1 TYR A 23 2.578 -10.730 -5.879 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.377 -9.063 -4.177 1.00 0.00 C ATOM 370 CE1 TYR A 23 3.169 -9.760 -6.761 1.00 0.00 C ATOM 371 CE2 TYR A 23 2.969 -8.092 -5.061 1.00 0.00 C ATOM 372 CZ TYR A 23 3.336 -8.488 -6.308 1.00 0.00 C ATOM 373 OH TYR A 23 3.895 -7.570 -7.142 1.00 0.00 O ATOM 0 H TYR A 23 0.878 -13.496 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 23 3.405 -12.582 -3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.787 -11.936 -4.207 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.076 -10.874 -2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.435 -11.747 -6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.077 -8.775 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.473 -10.035 -7.760 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.118 -7.072 -4.740 1.00 0.00 H new ATOM 0 HH TYR A 23 4.341 -6.876 -6.613 1.00 0.00 H new ATOM 383 N PRO A 24 4.428 -11.505 -1.807 1.00 0.00 N ATOM 384 CA PRO A 24 5.088 -10.974 -0.627 1.00 0.00 C ATOM 385 C PRO A 24 4.666 -9.527 -0.367 1.00 0.00 C ATOM 386 O PRO A 24 4.270 -8.817 -1.289 1.00 0.00 O ATOM 387 CB PRO A 24 6.575 -11.118 -0.910 1.00 0.00 C ATOM 388 CG PRO A 24 6.699 -11.290 -2.414 1.00 0.00 C ATOM 389 CD PRO A 24 5.315 -11.599 -2.964 1.00 0.00 C ATOM 0 HA PRO A 24 4.816 -11.508 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.124 -10.239 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.991 -11.977 -0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.097 -10.384 -2.870 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.392 -12.097 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.030 -10.889 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.279 -12.592 -3.411 1.00 0.00 H new ATOM 397 N HIS A 25 4.765 -9.134 0.895 1.00 0.00 N ATOM 398 CA HIS A 25 4.399 -7.783 1.288 1.00 0.00 C ATOM 399 C HIS A 25 4.939 -6.785 0.262 1.00 0.00 C ATOM 400 O HIS A 25 6.150 -6.596 0.154 1.00 0.00 O ATOM 401 CB HIS A 25 4.870 -7.485 2.712 1.00 0.00 C ATOM 402 CG HIS A 25 3.748 -7.273 3.699 1.00 0.00 C ATOM 403 ND1 HIS A 25 2.597 -6.570 3.387 1.00 0.00 N ATOM 404 CD2 HIS A 25 3.611 -7.679 4.994 1.00 0.00 C ATOM 405 CE1 HIS A 25 1.811 -6.558 4.454 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.441 -7.245 5.449 1.00 0.00 N ATOM 0 H HIS A 25 5.093 -9.727 1.658 1.00 0.00 H new ATOM 0 HA HIS A 25 3.313 -7.685 1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.493 -8.310 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.499 -6.595 2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 25 4.332 -8.256 5.555 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.842 -6.087 4.523 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.074 -7.400 6.388 1.00 0.00 H new ATOM 414 N TRP A 26 4.015 -6.171 -0.463 1.00 0.00 N ATOM 415 CA TRP A 26 4.385 -5.199 -1.476 1.00 0.00 C ATOM 416 C TRP A 26 3.850 -3.833 -1.037 1.00 0.00 C ATOM 417 O TRP A 26 2.869 -3.755 -0.302 1.00 0.00 O ATOM 418 CB TRP A 26 3.878 -5.622 -2.856 1.00 0.00 C ATOM 419 CG TRP A 26 4.986 -5.810 -3.895 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.089 -5.239 -5.103 1.00 0.00 C ATOM 421 CD2 TRP A 26 6.150 -6.653 -3.769 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.230 -5.650 -5.762 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.896 -6.537 -4.925 1.00 0.00 C ATOM 424 CE3 TRP A 26 6.560 -7.485 -2.712 1.00 0.00 C ATOM 425 CZ2 TRP A 26 8.097 -7.226 -5.134 1.00 0.00 C ATOM 426 CZ3 TRP A 26 7.761 -8.168 -2.938 1.00 0.00 C ATOM 427 CH2 TRP A 26 8.524 -8.062 -4.096 1.00 0.00 C ATOM 0 H TRP A 26 3.012 -6.328 -0.368 1.00 0.00 H new ATOM 0 HA TRP A 26 5.469 -5.136 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.324 -6.555 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.176 -4.871 -3.220 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.369 -4.544 -5.510 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.529 -5.357 -6.692 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.993 -7.589 -1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.663 -7.118 -6.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.120 -8.823 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 26 9.442 -8.622 -4.194 1.00 0.00 H new ATOM 438 N PRO A 27 4.539 -2.765 -1.519 1.00 0.00 N ATOM 439 CA PRO A 27 4.143 -1.406 -1.184 1.00 0.00 C ATOM 440 C PRO A 27 2.891 -0.994 -1.959 1.00 0.00 C ATOM 441 O PRO A 27 2.964 -0.687 -3.148 1.00 0.00 O ATOM 442 CB PRO A 27 5.357 -0.551 -1.515 1.00 0.00 C ATOM 443 CG PRO A 27 6.213 -1.387 -2.453 1.00 0.00 C ATOM 444 CD PRO A 27 5.708 -2.819 -2.393 1.00 0.00 C ATOM 0 HA PRO A 27 3.867 -1.293 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.058 0.384 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.908 -0.290 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.151 -1.003 -3.471 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.261 -1.339 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.444 -3.187 -3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.469 -3.491 -1.995 1.00 0.00 H new ATOM 452 N ALA A 28 1.769 -0.998 -1.253 1.00 0.00 N ATOM 453 CA ALA A 28 0.502 -0.627 -1.860 1.00 0.00 C ATOM 454 C ALA A 28 -0.125 0.518 -1.062 1.00 0.00 C ATOM 455 O ALA A 28 0.081 0.623 0.146 1.00 0.00 O ATOM 456 CB ALA A 28 -0.408 -1.855 -1.931 1.00 0.00 C ATOM 0 H ALA A 28 1.711 -1.252 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 28 0.653 -0.273 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.359 -1.578 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.070 -2.628 -2.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.585 -2.235 -0.925 1.00 0.00 H new ATOM 462 N ARG A 29 -0.877 1.347 -1.769 1.00 0.00 N ATOM 463 CA ARG A 29 -1.536 2.481 -1.142 1.00 0.00 C ATOM 464 C ARG A 29 -2.951 2.098 -0.706 1.00 0.00 C ATOM 465 O ARG A 29 -3.512 1.119 -1.197 1.00 0.00 O ATOM 466 CB ARG A 29 -1.609 3.672 -2.099 1.00 0.00 C ATOM 467 CG ARG A 29 -1.538 4.995 -1.332 1.00 0.00 C ATOM 468 CD ARG A 29 -2.695 5.918 -1.721 1.00 0.00 C ATOM 469 NE ARG A 29 -2.363 6.651 -2.963 1.00 0.00 N ATOM 470 CZ ARG A 29 -3.266 7.268 -3.735 1.00 0.00 C ATOM 471 NH1 ARG A 29 -4.563 7.244 -3.399 1.00 0.00 N ATOM 472 NH2 ARG A 29 -2.873 7.908 -4.845 1.00 0.00 N ATOM 0 H ARG A 29 -1.045 1.257 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.948 2.766 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.790 3.618 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.536 3.628 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.569 4.800 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.589 5.489 -1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.604 5.334 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.895 6.624 -0.915 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.385 6.688 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.862 6.756 -2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.251 7.714 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.886 7.925 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.561 8.378 -5.433 1.00 0.00 H new ATOM 486 N ILE A 30 -3.488 2.888 0.211 1.00 0.00 N ATOM 487 CA ILE A 30 -4.827 2.645 0.719 1.00 0.00 C ATOM 488 C ILE A 30 -5.848 3.328 -0.193 1.00 0.00 C ATOM 489 O ILE A 30 -5.577 4.397 -0.741 1.00 0.00 O ATOM 490 CB ILE A 30 -4.929 3.071 2.185 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.606 1.985 3.026 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.639 4.421 2.315 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.046 1.751 2.563 1.00 0.00 C ATOM 0 H ILE A 30 -3.019 3.698 0.616 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.051 1.578 0.704 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.919 3.198 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.040 1.056 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.601 2.277 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.699 4.701 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.080 5.180 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.645 4.344 1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.504 0.975 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.615 2.675 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.046 1.436 1.520 1.00 0.00 H new ATOM 505 N ASP A 31 -6.998 2.686 -0.327 1.00 0.00 N ATOM 506 CA ASP A 31 -8.059 3.219 -1.164 1.00 0.00 C ATOM 507 C ASP A 31 -9.402 2.651 -0.702 1.00 0.00 C ATOM 508 O ASP A 31 -9.460 1.544 -0.168 1.00 0.00 O ATOM 509 CB ASP A 31 -7.858 2.825 -2.629 1.00 0.00 C ATOM 510 CG ASP A 31 -6.974 3.775 -3.440 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.737 3.629 -3.334 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.556 4.626 -4.146 1.00 0.00 O ATOM 0 H ASP A 31 -7.219 1.801 0.130 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.041 4.305 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.421 1.827 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.834 2.762 -3.110 1.00 0.00 H new ATOM 517 N GLU A 32 -10.448 3.433 -0.923 1.00 0.00 N ATOM 518 CA GLU A 32 -11.786 3.021 -0.535 1.00 0.00 C ATOM 519 C GLU A 32 -12.462 2.264 -1.680 1.00 0.00 C ATOM 520 O GLU A 32 -12.275 2.603 -2.848 1.00 0.00 O ATOM 521 CB GLU A 32 -12.627 4.225 -0.103 1.00 0.00 C ATOM 522 CG GLU A 32 -13.275 3.979 1.260 1.00 0.00 C ATOM 523 CD GLU A 32 -14.487 4.891 1.465 1.00 0.00 C ATOM 524 OE1 GLU A 32 -14.365 6.083 1.107 1.00 0.00 O ATOM 525 OE2 GLU A 32 -15.506 4.376 1.971 1.00 0.00 O ATOM 0 H GLU A 32 -10.396 4.350 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.704 2.350 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.998 5.114 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.399 4.420 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.583 2.936 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.545 4.155 2.050 1.00 0.00 H new ATOM 532 N MET A 33 -13.231 1.253 -1.305 1.00 0.00 N ATOM 533 CA MET A 33 -13.934 0.445 -2.288 1.00 0.00 C ATOM 534 C MET A 33 -15.112 1.213 -2.887 1.00 0.00 C ATOM 535 O MET A 33 -15.762 1.999 -2.198 1.00 0.00 O ATOM 536 CB MET A 33 -14.445 -0.835 -1.622 1.00 0.00 C ATOM 537 CG MET A 33 -15.449 -0.514 -0.513 1.00 0.00 C ATOM 538 SD MET A 33 -14.663 -0.666 1.083 1.00 0.00 S ATOM 539 CE MET A 33 -15.802 0.279 2.080 1.00 0.00 C ATOM 0 H MET A 33 -13.383 0.975 -0.336 1.00 0.00 H new ATOM 0 HA MET A 33 -13.240 0.197 -3.091 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.915 -1.475 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.606 -1.393 -1.207 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.836 0.497 -0.642 1.00 0.00 H new ATOM 0 HG3 MET A 33 -16.301 -1.192 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.460 0.287 3.115 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.851 1.302 1.706 1.00 0.00 H new ATOM 0 HE3 MET A 33 -16.792 -0.174 2.029 1.00 0.00 H new ATOM 549 N PRO A 34 -15.361 0.954 -4.200 1.00 0.00 N ATOM 550 CA PRO A 34 -16.450 1.613 -4.901 1.00 0.00 C ATOM 551 C PRO A 34 -17.800 1.021 -4.493 1.00 0.00 C ATOM 552 O PRO A 34 -17.858 -0.051 -3.895 1.00 0.00 O ATOM 553 CB PRO A 34 -16.138 1.423 -6.377 1.00 0.00 C ATOM 554 CG PRO A 34 -15.145 0.276 -6.449 1.00 0.00 C ATOM 555 CD PRO A 34 -14.612 0.030 -5.047 1.00 0.00 C ATOM 0 HA PRO A 34 -16.529 2.673 -4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.042 1.193 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.717 2.332 -6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.627 -0.622 -6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.329 0.520 -7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.768 -1.004 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.540 0.221 -4.991 1.00 0.00 H new ATOM 563 N GLU A 35 -18.855 1.748 -4.834 1.00 0.00 N ATOM 564 CA GLU A 35 -20.201 1.310 -4.511 1.00 0.00 C ATOM 565 C GLU A 35 -21.145 1.585 -5.683 1.00 0.00 C ATOM 566 O GLU A 35 -22.347 1.761 -5.489 1.00 0.00 O ATOM 567 CB GLU A 35 -20.706 1.980 -3.231 1.00 0.00 C ATOM 568 CG GLU A 35 -20.934 3.477 -3.451 1.00 0.00 C ATOM 569 CD GLU A 35 -21.244 4.184 -2.130 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.443 4.230 -1.779 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.275 4.661 -1.500 1.00 0.00 O ATOM 0 H GLU A 35 -18.804 2.637 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.178 0.235 -4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.636 1.510 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.983 1.832 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -20.048 3.920 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.758 3.624 -4.149 1.00 0.00 H new ATOM 578 N ALA A 36 -20.565 1.617 -6.874 1.00 0.00 N ATOM 579 CA ALA A 36 -21.339 1.869 -8.078 1.00 0.00 C ATOM 580 C ALA A 36 -21.263 0.645 -8.993 1.00 0.00 C ATOM 581 O ALA A 36 -22.286 0.171 -9.487 1.00 0.00 O ATOM 582 CB ALA A 36 -20.825 3.139 -8.758 1.00 0.00 C ATOM 0 H ALA A 36 -19.568 1.473 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.389 2.032 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.405 3.328 -9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -20.928 3.984 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -19.775 3.011 -9.021 1.00 0.00 H new ATOM 588 N ALA A 37 -20.043 0.168 -9.191 1.00 0.00 N ATOM 589 CA ALA A 37 -19.822 -0.991 -10.039 1.00 0.00 C ATOM 590 C ALA A 37 -20.280 -2.250 -9.303 1.00 0.00 C ATOM 591 O ALA A 37 -20.999 -3.076 -9.864 1.00 0.00 O ATOM 592 CB ALA A 37 -18.346 -1.056 -10.441 1.00 0.00 C ATOM 0 H ALA A 37 -19.198 0.563 -8.779 1.00 0.00 H new ATOM 0 HA ALA A 37 -20.407 -0.913 -10.955 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -18.180 -1.925 -11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -18.077 -0.151 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.729 -1.138 -9.546 1.00 0.00 H new ATOM 598 N VAL A 38 -19.848 -2.360 -8.054 1.00 0.00 N ATOM 599 CA VAL A 38 -20.204 -3.505 -7.235 1.00 0.00 C ATOM 600 C VAL A 38 -20.422 -3.047 -5.793 1.00 0.00 C ATOM 601 O VAL A 38 -20.239 -1.872 -5.476 1.00 0.00 O ATOM 602 CB VAL A 38 -19.137 -4.593 -7.362 1.00 0.00 C ATOM 603 CG1 VAL A 38 -19.020 -5.081 -8.808 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.785 -4.100 -6.840 1.00 0.00 C ATOM 0 H VAL A 38 -19.254 -1.673 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 38 -21.139 -3.945 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 38 -19.446 -5.438 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -18.254 -5.854 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -19.977 -5.491 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.746 -4.246 -9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -17.044 -4.893 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.468 -3.231 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.879 -3.824 -5.790 1.00 0.00 H new ATOM 614 N LYS A 39 -20.809 -3.998 -4.955 1.00 0.00 N ATOM 615 CA LYS A 39 -21.054 -3.706 -3.553 1.00 0.00 C ATOM 616 C LYS A 39 -19.907 -4.271 -2.712 1.00 0.00 C ATOM 617 O LYS A 39 -19.211 -5.189 -3.140 1.00 0.00 O ATOM 618 CB LYS A 39 -22.433 -4.217 -3.132 1.00 0.00 C ATOM 619 CG LYS A 39 -23.546 -3.436 -3.837 1.00 0.00 C ATOM 620 CD LYS A 39 -24.435 -4.371 -4.659 1.00 0.00 C ATOM 621 CE LYS A 39 -24.175 -4.200 -6.156 1.00 0.00 C ATOM 622 NZ LYS A 39 -24.905 -5.229 -6.931 1.00 0.00 N ATOM 0 H LYS A 39 -20.959 -4.971 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.074 -2.629 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.520 -5.277 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -22.546 -4.123 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -24.150 -2.910 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -23.108 -2.679 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.247 -5.405 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.483 -4.165 -4.443 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -24.489 -3.206 -6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -23.106 -4.276 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.717 -5.098 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -24.586 -6.175 -6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.926 -5.138 -6.754 1.00 0.00 H new ATOM 636 N SER A 40 -19.746 -3.697 -1.529 1.00 0.00 N ATOM 637 CA SER A 40 -18.696 -4.131 -0.623 1.00 0.00 C ATOM 638 C SER A 40 -19.238 -5.190 0.338 1.00 0.00 C ATOM 639 O SER A 40 -20.451 -5.364 0.457 1.00 0.00 O ATOM 640 CB SER A 40 -18.120 -2.949 0.160 1.00 0.00 C ATOM 641 OG SER A 40 -18.886 -2.658 1.327 1.00 0.00 O ATOM 0 H SER A 40 -20.325 -2.935 -1.177 1.00 0.00 H new ATOM 0 HA SER A 40 -17.891 -4.566 -1.216 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.092 -3.170 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 40 -18.089 -2.069 -0.482 1.00 0.00 H new ATOM 0 HG SER A 40 -18.486 -1.899 1.800 1.00 0.00 H new ATOM 647 N THR A 41 -18.314 -5.872 0.998 1.00 0.00 N ATOM 648 CA THR A 41 -18.685 -6.911 1.946 1.00 0.00 C ATOM 649 C THR A 41 -18.153 -6.575 3.340 1.00 0.00 C ATOM 650 O THR A 41 -17.642 -5.480 3.566 1.00 0.00 O ATOM 651 CB THR A 41 -18.172 -8.247 1.405 1.00 0.00 C ATOM 652 OG1 THR A 41 -16.775 -8.037 1.227 1.00 0.00 O ATOM 653 CG2 THR A 41 -18.688 -8.547 -0.003 1.00 0.00 C ATOM 0 H THR A 41 -17.310 -5.726 0.896 1.00 0.00 H new ATOM 0 HA THR A 41 -19.767 -6.981 2.054 1.00 0.00 H new ATOM 0 HB THR A 41 -18.472 -9.050 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 41 -16.363 -8.856 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 41 -18.294 -9.506 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.777 -8.587 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 -18.361 -7.762 -0.685 1.00 0.00 H new ATOM 661 N ALA A 42 -18.292 -7.538 4.240 1.00 0.00 N ATOM 662 CA ALA A 42 -17.833 -7.359 5.606 1.00 0.00 C ATOM 663 C ALA A 42 -16.313 -7.181 5.610 1.00 0.00 C ATOM 664 O ALA A 42 -15.596 -7.928 4.946 1.00 0.00 O ATOM 665 CB ALA A 42 -18.282 -8.548 6.457 1.00 0.00 C ATOM 0 H ALA A 42 -18.717 -8.445 4.049 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.272 -6.462 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.937 -8.413 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.370 -8.613 6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -17.859 -9.467 6.050 1.00 0.00 H new ATOM 671 N ASN A 43 -15.868 -6.187 6.363 1.00 0.00 N ATOM 672 CA ASN A 43 -14.447 -5.901 6.461 1.00 0.00 C ATOM 673 C ASN A 43 -13.803 -6.048 5.080 1.00 0.00 C ATOM 674 O ASN A 43 -13.226 -7.090 4.768 1.00 0.00 O ATOM 675 CB ASN A 43 -13.752 -6.878 7.413 1.00 0.00 C ATOM 676 CG ASN A 43 -14.176 -8.320 7.124 1.00 0.00 C ATOM 677 OD1 ASN A 43 -15.233 -8.777 7.526 1.00 0.00 O ATOM 678 ND2 ASN A 43 -13.295 -9.008 6.403 1.00 0.00 N ATOM 0 H ASN A 43 -16.466 -5.569 6.911 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.334 -4.885 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.671 -6.785 7.310 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.997 -6.623 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.486 -9.979 6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.428 -8.565 6.098 1.00 0.00 H new ATOM 685 N LYS A 44 -13.926 -4.993 4.290 1.00 0.00 N ATOM 686 CA LYS A 44 -13.365 -4.993 2.949 1.00 0.00 C ATOM 687 C LYS A 44 -12.860 -3.588 2.613 1.00 0.00 C ATOM 688 O LYS A 44 -13.593 -2.610 2.756 1.00 0.00 O ATOM 689 CB LYS A 44 -14.381 -5.538 1.943 1.00 0.00 C ATOM 690 CG LYS A 44 -13.909 -5.304 0.506 1.00 0.00 C ATOM 691 CD LYS A 44 -15.006 -5.663 -0.496 1.00 0.00 C ATOM 692 CE LYS A 44 -14.544 -5.402 -1.932 1.00 0.00 C ATOM 693 NZ LYS A 44 -14.384 -6.678 -2.663 1.00 0.00 N ATOM 0 H LYS A 44 -14.406 -4.132 4.552 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.507 -5.663 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.529 -6.605 2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.346 -5.054 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.623 -4.260 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.021 -5.904 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.278 -6.712 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.901 -5.077 -0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.269 -4.770 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.599 -4.860 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.070 -6.484 -3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.675 -7.267 -2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.294 -7.181 -2.687 1.00 0.00 H new ATOM 707 N TYR A 45 -11.611 -3.532 2.175 1.00 0.00 N ATOM 708 CA TYR A 45 -11.000 -2.264 1.818 1.00 0.00 C ATOM 709 C TYR A 45 -10.250 -2.372 0.487 1.00 0.00 C ATOM 710 O TYR A 45 -9.780 -3.448 0.122 1.00 0.00 O ATOM 711 CB TYR A 45 -9.997 -1.950 2.930 1.00 0.00 C ATOM 712 CG TYR A 45 -10.289 -0.650 3.682 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.593 -0.238 3.867 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.248 0.110 4.176 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.867 0.987 4.574 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.522 1.334 4.883 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.819 1.711 5.048 1.00 0.00 C ATOM 718 OH TYR A 45 -11.078 2.868 5.715 1.00 0.00 O ATOM 0 H TYR A 45 -11.006 -4.345 2.059 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.759 -1.490 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.989 -2.776 3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.998 -1.892 2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.408 -0.834 3.482 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.228 -0.214 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.883 1.323 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.717 1.939 5.273 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.234 3.279 5.997 1.00 0.00 H new ATOM 728 N GLN A 46 -10.160 -1.242 -0.197 1.00 0.00 N ATOM 729 CA GLN A 46 -9.475 -1.196 -1.478 1.00 0.00 C ATOM 730 C GLN A 46 -8.000 -0.838 -1.280 1.00 0.00 C ATOM 731 O GLN A 46 -7.668 -0.009 -0.435 1.00 0.00 O ATOM 732 CB GLN A 46 -10.155 -0.208 -2.429 1.00 0.00 C ATOM 733 CG GLN A 46 -9.789 -0.507 -3.883 1.00 0.00 C ATOM 734 CD GLN A 46 -10.920 -0.093 -4.829 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.333 1.160 -4.664 1.00 0.00 O flip ATOM 736 NE2 GLN A 46 -11.385 -0.861 -5.655 1.00 0.00 N flip ATOM 0 H GLN A 46 -10.550 -0.351 0.111 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.531 -2.185 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.236 -0.263 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -9.856 0.809 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.875 0.024 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.584 -1.571 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.022 -1.811 -5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.137 -0.553 -6.271 1.00 0.00 H new ATOM 745 N VAL A 47 -7.157 -1.482 -2.073 1.00 0.00 N ATOM 746 CA VAL A 47 -5.726 -1.243 -1.994 1.00 0.00 C ATOM 747 C VAL A 47 -5.154 -1.125 -3.410 1.00 0.00 C ATOM 748 O VAL A 47 -5.625 -1.792 -4.330 1.00 0.00 O ATOM 749 CB VAL A 47 -5.055 -2.342 -1.168 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.635 -2.613 -1.667 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.058 -1.988 0.320 1.00 0.00 C ATOM 0 H VAL A 47 -7.437 -2.169 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.524 -0.302 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.633 -3.257 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.181 -3.398 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.670 -2.931 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.041 -1.703 -1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.575 -2.786 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.515 -1.055 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.086 -1.871 0.664 1.00 0.00 H new ATOM 761 N PHE A 48 -4.148 -0.274 -3.538 1.00 0.00 N ATOM 762 CA PHE A 48 -3.508 -0.061 -4.824 1.00 0.00 C ATOM 763 C PHE A 48 -2.031 -0.459 -4.776 1.00 0.00 C ATOM 764 O PHE A 48 -1.218 0.237 -4.172 1.00 0.00 O ATOM 765 CB PHE A 48 -3.611 1.434 -5.133 1.00 0.00 C ATOM 766 CG PHE A 48 -4.022 1.747 -6.573 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.721 0.872 -7.570 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.689 2.897 -6.857 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.103 1.161 -8.908 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.071 3.187 -8.192 1.00 0.00 C ATOM 771 CZ PHE A 48 -4.770 2.313 -9.191 1.00 0.00 C ATOM 0 H PHE A 48 -3.760 0.277 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.995 -0.669 -5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.334 1.886 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.648 1.903 -4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.192 -0.042 -7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.928 3.591 -6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.864 0.467 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.601 4.101 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.060 2.534 -10.208 1.00 0.00 H new ATOM 781 N PHE A 49 -1.732 -1.578 -5.417 1.00 0.00 N ATOM 782 CA PHE A 49 -0.368 -2.077 -5.455 1.00 0.00 C ATOM 783 C PHE A 49 0.474 -1.298 -6.466 1.00 0.00 C ATOM 784 O PHE A 49 0.085 -1.155 -7.625 1.00 0.00 O ATOM 785 CB PHE A 49 -0.441 -3.543 -5.891 1.00 0.00 C ATOM 786 CG PHE A 49 -0.642 -4.526 -4.736 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.548 -4.250 -3.759 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.084 -5.674 -4.684 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.736 -5.163 -2.688 1.00 0.00 C ATOM 790 CE2 PHE A 49 -0.104 -6.587 -3.613 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.011 -6.312 -2.637 1.00 0.00 C ATOM 0 H PHE A 49 -2.411 -2.154 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 49 0.096 -1.966 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.260 -3.660 -6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.477 -3.801 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.124 -3.337 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.805 -5.892 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.456 -4.944 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.473 -7.499 -3.573 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.155 -7.006 -1.822 1.00 0.00 H new ATOM 801 N PHE A 50 1.613 -0.814 -5.993 1.00 0.00 N ATOM 802 CA PHE A 50 2.513 -0.052 -6.842 1.00 0.00 C ATOM 803 C PHE A 50 3.375 -0.981 -7.698 1.00 0.00 C ATOM 804 O PHE A 50 3.365 -0.887 -8.925 1.00 0.00 O ATOM 805 CB PHE A 50 3.422 0.758 -5.916 1.00 0.00 C ATOM 806 CG PHE A 50 2.831 2.102 -5.483 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.910 3.177 -6.312 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.226 2.220 -4.271 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.362 4.424 -5.910 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.678 3.467 -3.869 1.00 0.00 C ATOM 811 CZ PHE A 50 1.757 4.543 -4.698 1.00 0.00 C ATOM 0 H PHE A 50 1.933 -0.935 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 50 1.940 0.589 -7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.639 0.165 -5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.372 0.936 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.389 3.083 -7.275 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.162 1.365 -3.614 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.426 5.278 -6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.199 3.561 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.339 5.491 -4.394 1.00 0.00 H new ATOM 821 N GLY A 51 4.101 -1.857 -7.018 1.00 0.00 N ATOM 822 CA GLY A 51 4.968 -2.801 -7.702 1.00 0.00 C ATOM 823 C GLY A 51 4.302 -3.335 -8.973 1.00 0.00 C ATOM 824 O GLY A 51 4.915 -3.354 -10.039 1.00 0.00 O ATOM 0 H GLY A 51 4.106 -1.933 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.910 -2.316 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.206 -3.630 -7.036 1.00 0.00 H new ATOM 828 N THR A 52 3.056 -3.757 -8.817 1.00 0.00 N ATOM 829 CA THR A 52 2.301 -4.291 -9.938 1.00 0.00 C ATOM 830 C THR A 52 1.517 -3.174 -10.633 1.00 0.00 C ATOM 831 O THR A 52 1.283 -3.234 -11.838 1.00 0.00 O ATOM 832 CB THR A 52 1.412 -5.421 -9.415 1.00 0.00 C ATOM 833 OG1 THR A 52 1.142 -5.055 -8.064 1.00 0.00 O ATOM 834 CG2 THR A 52 2.163 -6.749 -9.297 1.00 0.00 C ATOM 0 H THR A 52 2.550 -3.740 -7.931 1.00 0.00 H new ATOM 0 HA THR A 52 2.963 -4.704 -10.699 1.00 0.00 H new ATOM 0 HB THR A 52 0.556 -5.545 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.195 -5.212 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.487 -7.517 -8.922 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.538 -7.043 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.000 -6.634 -8.608 1.00 0.00 H new ATOM 842 N HIS A 53 1.137 -2.182 -9.841 1.00 0.00 N ATOM 843 CA HIS A 53 0.385 -1.054 -10.365 1.00 0.00 C ATOM 844 C HIS A 53 -1.060 -1.482 -10.637 1.00 0.00 C ATOM 845 O HIS A 53 -1.657 -1.066 -11.628 1.00 0.00 O ATOM 846 CB HIS A 53 1.072 -0.470 -11.600 1.00 0.00 C ATOM 847 CG HIS A 53 0.617 0.925 -11.955 1.00 0.00 C ATOM 848 ND1 HIS A 53 0.710 1.989 -11.074 1.00 0.00 N ATOM 849 CD2 HIS A 53 0.068 1.420 -13.101 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.233 3.070 -11.673 1.00 0.00 C ATOM 851 NE2 HIS A 53 -0.164 2.716 -12.929 1.00 0.00 N ATOM 0 H HIS A 53 1.335 -2.136 -8.842 1.00 0.00 H new ATOM 0 HA HIS A 53 0.358 -0.255 -9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.149 -0.458 -11.432 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.889 -1.128 -12.450 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.142 0.854 -13.996 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.170 4.058 -11.242 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.572 3.344 -13.622 1.00 0.00 H new ATOM 859 N GLU A 54 -1.578 -2.306 -9.738 1.00 0.00 N ATOM 860 CA GLU A 54 -2.940 -2.795 -9.867 1.00 0.00 C ATOM 861 C GLU A 54 -3.689 -2.631 -8.544 1.00 0.00 C ATOM 862 O GLU A 54 -3.089 -2.698 -7.473 1.00 0.00 O ATOM 863 CB GLU A 54 -2.958 -4.252 -10.333 1.00 0.00 C ATOM 864 CG GLU A 54 -2.461 -4.374 -11.775 1.00 0.00 C ATOM 865 CD GLU A 54 -3.418 -5.221 -12.615 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.517 -4.706 -12.916 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.030 -6.364 -12.938 1.00 0.00 O ATOM 0 H GLU A 54 -1.079 -2.647 -8.917 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.449 -2.201 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.331 -4.855 -9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.971 -4.648 -10.259 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.366 -3.382 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.468 -4.824 -11.784 1.00 0.00 H new ATOM 874 N THR A 55 -4.993 -2.421 -8.661 1.00 0.00 N ATOM 875 CA THR A 55 -5.833 -2.248 -7.487 1.00 0.00 C ATOM 876 C THR A 55 -6.462 -3.583 -7.080 1.00 0.00 C ATOM 877 O THR A 55 -7.296 -4.125 -7.805 1.00 0.00 O ATOM 878 CB THR A 55 -6.860 -1.160 -7.798 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.133 0.056 -7.656 1.00 0.00 O ATOM 880 CG2 THR A 55 -7.953 -1.065 -6.731 1.00 0.00 C ATOM 0 H THR A 55 -5.488 -2.367 -9.551 1.00 0.00 H new ATOM 0 HA THR A 55 -5.249 -1.925 -6.625 1.00 0.00 H new ATOM 0 HB THR A 55 -7.315 -1.358 -8.769 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.187 -0.103 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.657 -0.277 -7.000 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.481 -2.016 -6.665 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.501 -0.834 -5.767 1.00 0.00 H new ATOM 888 N ALA A 56 -6.039 -4.072 -5.925 1.00 0.00 N ATOM 889 CA ALA A 56 -6.552 -5.332 -5.414 1.00 0.00 C ATOM 890 C ALA A 56 -7.293 -5.080 -4.100 1.00 0.00 C ATOM 891 O ALA A 56 -6.931 -4.184 -3.340 1.00 0.00 O ATOM 892 CB ALA A 56 -5.399 -6.325 -5.251 1.00 0.00 C ATOM 0 H ALA A 56 -5.347 -3.619 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.262 -5.769 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.784 -7.270 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.923 -6.492 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.667 -5.921 -4.552 1.00 0.00 H new ATOM 898 N PHE A 57 -8.318 -5.888 -3.871 1.00 0.00 N ATOM 899 CA PHE A 57 -9.114 -5.764 -2.662 1.00 0.00 C ATOM 900 C PHE A 57 -8.469 -6.525 -1.501 1.00 0.00 C ATOM 901 O PHE A 57 -8.248 -7.730 -1.592 1.00 0.00 O ATOM 902 CB PHE A 57 -10.482 -6.379 -2.962 1.00 0.00 C ATOM 903 CG PHE A 57 -10.525 -7.901 -2.819 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.697 -8.466 -1.594 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.390 -8.692 -3.917 1.00 0.00 C ATOM 906 CE1 PHE A 57 -10.736 -9.879 -1.462 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.429 -10.105 -3.785 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.601 -10.669 -2.560 1.00 0.00 C ATOM 0 H PHE A 57 -8.616 -6.631 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.194 -4.716 -2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.221 -5.940 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.774 -6.111 -3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.804 -7.839 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.253 -8.245 -4.890 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.873 -10.327 -0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.322 -10.732 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.630 -11.744 -2.459 1.00 0.00 H new ATOM 918 N LEU A 58 -8.187 -5.787 -0.437 1.00 0.00 N ATOM 919 CA LEU A 58 -7.571 -6.377 0.740 1.00 0.00 C ATOM 920 C LEU A 58 -8.189 -5.759 1.996 1.00 0.00 C ATOM 921 O LEU A 58 -8.997 -4.836 1.906 1.00 0.00 O ATOM 922 CB LEU A 58 -6.050 -6.243 0.674 1.00 0.00 C ATOM 923 CG LEU A 58 -5.344 -7.114 -0.368 1.00 0.00 C ATOM 924 CD1 LEU A 58 -3.851 -6.787 -0.436 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.594 -8.600 -0.100 1.00 0.00 C ATOM 0 H LEU A 58 -8.373 -4.787 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.771 -7.448 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.805 -5.200 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.641 -6.482 1.656 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.768 -6.887 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.374 -7.420 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.720 -5.740 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.394 -6.968 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.082 -9.197 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.215 -8.860 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.664 -8.802 -0.143 1.00 0.00 H new ATOM 937 N GLY A 59 -7.785 -6.294 3.139 1.00 0.00 N ATOM 938 CA GLY A 59 -8.290 -5.807 4.412 1.00 0.00 C ATOM 939 C GLY A 59 -7.163 -5.204 5.254 1.00 0.00 C ATOM 940 O GLY A 59 -6.118 -4.830 4.722 1.00 0.00 O ATOM 0 H GLY A 59 -7.114 -7.059 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.061 -5.056 4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.759 -6.625 4.958 1.00 0.00 H new ATOM 944 N PRO A 60 -7.419 -5.126 6.586 1.00 0.00 N ATOM 945 CA PRO A 60 -6.439 -4.574 7.506 1.00 0.00 C ATOM 946 C PRO A 60 -5.297 -5.564 7.750 1.00 0.00 C ATOM 947 O PRO A 60 -4.138 -5.166 7.847 1.00 0.00 O ATOM 948 CB PRO A 60 -7.222 -4.249 8.768 1.00 0.00 C ATOM 949 CG PRO A 60 -8.508 -5.054 8.679 1.00 0.00 C ATOM 950 CD PRO A 60 -8.645 -5.558 7.252 1.00 0.00 C ATOM 0 HA PRO A 60 -5.952 -3.681 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.655 -4.516 9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.433 -3.182 8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.484 -5.890 9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.364 -4.436 8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.750 -6.643 7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.527 -5.140 6.767 1.00 0.00 H new ATOM 958 N LYS A 61 -5.667 -6.833 7.840 1.00 0.00 N ATOM 959 CA LYS A 61 -4.688 -7.882 8.069 1.00 0.00 C ATOM 960 C LYS A 61 -3.707 -7.923 6.896 1.00 0.00 C ATOM 961 O LYS A 61 -2.500 -8.054 7.098 1.00 0.00 O ATOM 962 CB LYS A 61 -5.387 -9.217 8.332 1.00 0.00 C ATOM 963 CG LYS A 61 -4.369 -10.355 8.449 1.00 0.00 C ATOM 964 CD LYS A 61 -4.968 -11.678 7.968 1.00 0.00 C ATOM 965 CE LYS A 61 -4.687 -12.803 8.968 1.00 0.00 C ATOM 966 NZ LYS A 61 -3.489 -13.570 8.560 1.00 0.00 N ATOM 0 H LYS A 61 -6.630 -7.158 7.759 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.105 -7.670 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.971 -9.151 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.086 -9.431 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.483 -10.117 7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.046 -10.453 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.044 -11.567 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.550 -11.938 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.537 -12.384 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.549 -13.468 9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.312 -14.329 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.646 -13.985 7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.666 -12.935 8.525 1.00 0.00 H new ATOM 980 N ASP A 62 -4.259 -7.808 5.698 1.00 0.00 N ATOM 981 CA ASP A 62 -3.446 -7.830 4.494 1.00 0.00 C ATOM 982 C ASP A 62 -2.505 -6.624 4.497 1.00 0.00 C ATOM 983 O ASP A 62 -1.453 -6.651 3.860 1.00 0.00 O ATOM 984 CB ASP A 62 -4.318 -7.744 3.240 1.00 0.00 C ATOM 985 CG ASP A 62 -4.762 -9.092 2.668 1.00 0.00 C ATOM 986 OD1 ASP A 62 -3.895 -9.769 2.073 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.957 -9.415 2.838 1.00 0.00 O ATOM 0 H ASP A 62 -5.260 -7.699 5.535 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.886 -8.765 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.205 -7.155 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.768 -7.203 2.470 1.00 0.00 H new ATOM 992 N LEU A 63 -2.914 -5.594 5.223 1.00 0.00 N ATOM 993 CA LEU A 63 -2.121 -4.381 5.319 1.00 0.00 C ATOM 994 C LEU A 63 -1.305 -4.411 6.613 1.00 0.00 C ATOM 995 O LEU A 63 -1.764 -4.932 7.628 1.00 0.00 O ATOM 996 CB LEU A 63 -3.012 -3.145 5.182 1.00 0.00 C ATOM 997 CG LEU A 63 -2.677 -2.202 4.025 1.00 0.00 C ATOM 998 CD1 LEU A 63 -2.263 -2.988 2.779 1.00 0.00 C ATOM 999 CD2 LEU A 63 -3.840 -1.249 3.741 1.00 0.00 C ATOM 0 H LEU A 63 -3.786 -5.575 5.751 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.410 -4.325 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.044 -3.476 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.960 -2.579 6.112 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.823 -1.591 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.030 -2.294 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.383 -3.590 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.080 -3.641 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.576 -0.589 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.727 -1.825 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.047 -0.652 4.629 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.108 -3.847 6.533 1.00 0.00 N ATOM 1012 CA PHE A 64 0.776 -3.803 7.686 1.00 0.00 C ATOM 1013 C PHE A 64 1.461 -2.440 7.799 1.00 0.00 C ATOM 1014 O PHE A 64 1.886 -1.869 6.795 1.00 0.00 O ATOM 1015 CB PHE A 64 1.841 -4.880 7.474 1.00 0.00 C ATOM 1016 CG PHE A 64 2.031 -5.811 8.673 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.948 -6.266 9.360 1.00 0.00 C ATOM 1018 CD2 PHE A 64 3.283 -6.184 9.053 1.00 0.00 C ATOM 1019 CE1 PHE A 64 1.125 -7.129 10.472 1.00 0.00 C ATOM 1020 CE2 PHE A 64 3.459 -7.048 10.166 1.00 0.00 C ATOM 1021 CZ PHE A 64 2.375 -7.503 10.852 1.00 0.00 C ATOM 0 H PHE A 64 0.270 -3.417 5.689 1.00 0.00 H new ATOM 0 HA PHE A 64 0.205 -3.970 8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.571 -5.477 6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.792 -4.397 7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.046 -5.970 9.059 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.143 -5.823 8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.265 -7.489 11.017 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.453 -7.344 10.468 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.508 -8.161 11.698 1.00 0.00 H new ATOM 1031 N PRO A 65 1.552 -1.944 9.063 1.00 0.00 N ATOM 1032 CA PRO A 65 2.178 -0.658 9.319 1.00 0.00 C ATOM 1033 C PRO A 65 3.701 -0.760 9.214 1.00 0.00 C ATOM 1034 O PRO A 65 4.244 -1.852 9.054 1.00 0.00 O ATOM 1035 CB PRO A 65 1.704 -0.261 10.708 1.00 0.00 C ATOM 1036 CG PRO A 65 1.208 -1.540 11.361 1.00 0.00 C ATOM 1037 CD PRO A 65 1.060 -2.591 10.275 1.00 0.00 C ATOM 0 HA PRO A 65 1.901 0.099 8.586 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.515 0.183 11.285 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.909 0.482 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.910 -1.876 12.124 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.254 -1.369 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.637 -3.486 10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.021 -2.902 10.164 1.00 0.00 H new ATOM 1045 N TYR A 66 4.347 0.392 9.309 1.00 0.00 N ATOM 1046 CA TYR A 66 5.798 0.447 9.226 1.00 0.00 C ATOM 1047 C TYR A 66 6.436 0.080 10.568 1.00 0.00 C ATOM 1048 O TYR A 66 7.530 -0.483 10.604 1.00 0.00 O ATOM 1049 CB TYR A 66 6.146 1.898 8.888 1.00 0.00 C ATOM 1050 CG TYR A 66 7.429 2.400 9.553 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.644 1.833 9.226 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.371 3.420 10.480 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.851 2.306 9.852 1.00 0.00 C ATOM 1054 CE2 TYR A 66 8.579 3.893 11.107 1.00 0.00 C ATOM 1055 CZ TYR A 66 9.759 3.312 10.762 1.00 0.00 C ATOM 1056 OH TYR A 66 10.899 3.759 11.353 1.00 0.00 O ATOM 0 H TYR A 66 3.893 1.296 9.443 1.00 0.00 H new ATOM 0 HA TYR A 66 6.168 -0.256 8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.247 1.994 7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.318 2.539 9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.689 1.034 8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.420 3.864 10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.808 1.871 9.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.548 4.691 11.834 1.00 0.00 H new ATOM 0 HH TYR A 66 10.681 4.480 11.980 1.00 0.00 H new ATOM 1066 N GLU A 67 5.727 0.412 11.636 1.00 0.00 N ATOM 1067 CA GLU A 67 6.211 0.124 12.974 1.00 0.00 C ATOM 1068 C GLU A 67 6.149 -1.380 13.250 1.00 0.00 C ATOM 1069 O GLU A 67 7.089 -1.953 13.797 1.00 0.00 O ATOM 1070 CB GLU A 67 5.421 0.907 14.024 1.00 0.00 C ATOM 1071 CG GLU A 67 6.339 1.825 14.832 1.00 0.00 C ATOM 1072 CD GLU A 67 5.527 2.780 15.709 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.166 2.354 16.827 1.00 0.00 O ATOM 1074 OE2 GLU A 67 5.288 3.915 15.242 1.00 0.00 O ATOM 0 H GLU A 67 4.820 0.878 11.602 1.00 0.00 H new ATOM 0 HA GLU A 67 7.251 0.442 13.038 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.648 1.500 13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.914 0.213 14.694 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.000 1.225 15.457 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.973 2.398 14.155 1.00 0.00 H new ATOM 1081 N GLU A 68 5.033 -1.974 12.857 1.00 0.00 N ATOM 1082 CA GLU A 68 4.834 -3.401 13.056 1.00 0.00 C ATOM 1083 C GLU A 68 5.657 -4.196 12.040 1.00 0.00 C ATOM 1084 O GLU A 68 6.357 -5.140 12.406 1.00 0.00 O ATOM 1085 CB GLU A 68 3.352 -3.767 12.967 1.00 0.00 C ATOM 1086 CG GLU A 68 3.092 -5.150 13.567 1.00 0.00 C ATOM 1087 CD GLU A 68 1.591 -5.427 13.675 1.00 0.00 C ATOM 1088 OE1 GLU A 68 0.873 -5.040 12.729 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.195 -6.021 14.701 1.00 0.00 O ATOM 0 H GLU A 68 4.256 -1.494 12.402 1.00 0.00 H new ATOM 0 HA GLU A 68 5.177 -3.660 14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.757 -3.021 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.032 -3.753 11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.563 -5.913 12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.549 -5.214 14.554 1.00 0.00 H new ATOM 1096 N SER A 69 5.545 -3.787 10.785 1.00 0.00 N ATOM 1097 CA SER A 69 6.270 -4.449 9.713 1.00 0.00 C ATOM 1098 C SER A 69 7.766 -4.470 10.029 1.00 0.00 C ATOM 1099 O SER A 69 8.418 -5.506 9.901 1.00 0.00 O ATOM 1100 CB SER A 69 6.020 -3.760 8.370 1.00 0.00 C ATOM 1101 OG SER A 69 6.467 -2.406 8.374 1.00 0.00 O ATOM 0 H SER A 69 4.963 -3.005 10.486 1.00 0.00 H new ATOM 0 HA SER A 69 5.907 -5.474 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.532 -4.309 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.955 -3.790 8.140 1.00 0.00 H new ATOM 0 HG SER A 69 5.717 -1.813 8.160 1.00 0.00 H new ATOM 1107 N LYS A 70 8.269 -3.313 10.436 1.00 0.00 N ATOM 1108 CA LYS A 70 9.677 -3.186 10.771 1.00 0.00 C ATOM 1109 C LYS A 70 9.962 -3.956 12.062 1.00 0.00 C ATOM 1110 O LYS A 70 11.096 -4.360 12.311 1.00 0.00 O ATOM 1111 CB LYS A 70 10.083 -1.713 10.831 1.00 0.00 C ATOM 1112 CG LYS A 70 9.620 -1.069 12.140 1.00 0.00 C ATOM 1113 CD LYS A 70 10.591 -1.386 13.279 1.00 0.00 C ATOM 1114 CE LYS A 70 11.376 -0.138 13.693 1.00 0.00 C ATOM 1115 NZ LYS A 70 12.182 -0.411 14.903 1.00 0.00 N ATOM 0 H LYS A 70 7.726 -2.456 10.541 1.00 0.00 H new ATOM 0 HA LYS A 70 10.295 -3.631 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.166 -1.627 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.650 -1.178 9.986 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.544 0.011 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.624 -1.430 12.395 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.039 -1.774 14.135 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.283 -2.168 12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.028 0.176 12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.687 0.685 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.708 0.445 15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.553 -0.689 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.852 -1.182 14.707 1.00 0.00 H new ATOM 1129 N GLU A 71 8.911 -4.135 12.850 1.00 0.00 N ATOM 1130 CA GLU A 71 9.035 -4.848 14.111 1.00 0.00 C ATOM 1131 C GLU A 71 9.535 -6.274 13.866 1.00 0.00 C ATOM 1132 O GLU A 71 10.410 -6.759 14.582 1.00 0.00 O ATOM 1133 CB GLU A 71 7.706 -4.855 14.867 1.00 0.00 C ATOM 1134 CG GLU A 71 7.924 -5.138 16.356 1.00 0.00 C ATOM 1135 CD GLU A 71 6.789 -4.553 17.197 1.00 0.00 C ATOM 1136 OE1 GLU A 71 6.804 -3.318 17.393 1.00 0.00 O ATOM 1137 OE2 GLU A 71 5.930 -5.354 17.626 1.00 0.00 O ATOM 0 H GLU A 71 7.971 -3.799 12.640 1.00 0.00 H new ATOM 0 HA GLU A 71 9.766 -4.329 14.731 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.209 -3.893 14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.046 -5.611 14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.986 -6.214 16.520 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.875 -4.712 16.675 1.00 0.00 H new ATOM 1144 N LYS A 72 8.956 -6.904 12.855 1.00 0.00 N ATOM 1145 CA LYS A 72 9.333 -8.264 12.508 1.00 0.00 C ATOM 1146 C LYS A 72 10.410 -8.230 11.423 1.00 0.00 C ATOM 1147 O LYS A 72 11.556 -8.599 11.669 1.00 0.00 O ATOM 1148 CB LYS A 72 8.096 -9.080 12.123 1.00 0.00 C ATOM 1149 CG LYS A 72 8.492 -10.345 11.359 1.00 0.00 C ATOM 1150 CD LYS A 72 7.316 -10.881 10.538 1.00 0.00 C ATOM 1151 CE LYS A 72 7.436 -10.463 9.072 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.350 -11.070 8.269 1.00 0.00 N ATOM 0 H LYS A 72 8.229 -6.499 12.265 1.00 0.00 H new ATOM 0 HA LYS A 72 9.766 -8.771 13.370 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.541 -9.352 13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.431 -8.472 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.332 -10.128 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.828 -11.108 12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.284 -11.968 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.379 -10.507 10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.391 -9.377 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.404 -10.772 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.446 -10.776 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.410 -12.106 8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.429 -10.755 8.636 1.00 0.00 H new ATOM 1166 N PHE A 73 10.003 -7.783 10.244 1.00 0.00 N ATOM 1167 CA PHE A 73 10.919 -7.696 9.120 1.00 0.00 C ATOM 1168 C PHE A 73 10.806 -6.337 8.424 1.00 0.00 C ATOM 1169 O PHE A 73 11.744 -5.543 8.451 1.00 0.00 O ATOM 1170 CB PHE A 73 10.523 -8.795 8.132 1.00 0.00 C ATOM 1171 CG PHE A 73 11.458 -10.006 8.140 1.00 0.00 C ATOM 1172 CD1 PHE A 73 11.744 -10.636 9.311 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.002 -10.453 6.978 1.00 0.00 C ATOM 1174 CE1 PHE A 73 12.612 -11.760 9.320 1.00 0.00 C ATOM 1175 CE2 PHE A 73 12.870 -11.577 6.984 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.157 -12.206 8.156 1.00 0.00 C ATOM 0 H PHE A 73 9.051 -7.477 10.043 1.00 0.00 H new ATOM 0 HA PHE A 73 11.945 -7.813 9.468 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.511 -9.129 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.499 -8.374 7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.311 -10.281 10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.774 -9.953 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.839 -12.260 10.250 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.302 -11.932 6.060 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.818 -13.060 8.162 1.00 0.00 H new ATOM 1186 N GLY A 74 9.649 -6.114 7.818 1.00 0.00 N ATOM 1187 CA GLY A 74 9.402 -4.865 7.117 1.00 0.00 C ATOM 1188 C GLY A 74 10.188 -4.807 5.805 1.00 0.00 C ATOM 1189 O GLY A 74 10.115 -3.819 5.077 1.00 0.00 O ATOM 0 H GLY A 74 8.873 -6.776 7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.336 -4.764 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.685 -4.025 7.752 1.00 0.00 H new ATOM 1193 N LYS A 75 10.921 -5.879 5.544 1.00 0.00 N ATOM 1194 CA LYS A 75 11.720 -5.963 4.333 1.00 0.00 C ATOM 1195 C LYS A 75 11.400 -7.271 3.607 1.00 0.00 C ATOM 1196 O LYS A 75 11.972 -8.315 3.918 1.00 0.00 O ATOM 1197 CB LYS A 75 13.205 -5.787 4.658 1.00 0.00 C ATOM 1198 CG LYS A 75 13.406 -4.733 5.747 1.00 0.00 C ATOM 1199 CD LYS A 75 14.681 -5.008 6.549 1.00 0.00 C ATOM 1200 CE LYS A 75 15.044 -3.811 7.429 1.00 0.00 C ATOM 1201 NZ LYS A 75 15.426 -4.261 8.786 1.00 0.00 N ATOM 0 H LYS A 75 10.979 -6.697 6.150 1.00 0.00 H new ATOM 0 HA LYS A 75 11.468 -5.150 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.625 -6.738 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.746 -5.493 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.464 -3.743 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.545 -4.728 6.416 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.540 -5.892 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.504 -5.226 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.868 -3.257 6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.197 -3.128 7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.669 -3.435 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.629 -4.770 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.248 -4.895 8.723 1.00 0.00 H new ATOM 1215 N PRO A 76 10.465 -7.169 2.625 1.00 0.00 N ATOM 1216 CA PRO A 76 10.062 -8.331 1.851 1.00 0.00 C ATOM 1217 C PRO A 76 11.138 -8.711 0.832 1.00 0.00 C ATOM 1218 O PRO A 76 12.131 -8.001 0.680 1.00 0.00 O ATOM 1219 CB PRO A 76 8.745 -7.935 1.204 1.00 0.00 C ATOM 1220 CG PRO A 76 8.691 -6.418 1.262 1.00 0.00 C ATOM 1221 CD PRO A 76 9.766 -5.950 2.228 1.00 0.00 C ATOM 0 HA PRO A 76 9.937 -9.223 2.465 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.694 -8.288 0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.901 -8.376 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.856 -5.992 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.708 -6.083 1.594 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.444 -5.242 1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.331 -5.445 3.090 1.00 0.00 H new ATOM 1229 N ASN A 77 10.904 -9.829 0.161 1.00 0.00 N ATOM 1230 CA ASN A 77 11.841 -10.312 -0.838 1.00 0.00 C ATOM 1231 C ASN A 77 12.195 -9.171 -1.793 1.00 0.00 C ATOM 1232 O ASN A 77 11.312 -8.460 -2.271 1.00 0.00 O ATOM 1233 CB ASN A 77 11.231 -11.446 -1.664 1.00 0.00 C ATOM 1234 CG ASN A 77 10.522 -12.459 -0.763 1.00 0.00 C ATOM 1235 OD1 ASN A 77 9.272 -12.125 -0.452 1.00 0.00 O flip ATOM 1236 ND2 ASN A 77 11.073 -13.477 -0.374 1.00 0.00 N flip ATOM 0 H ASN A 77 10.079 -10.414 0.290 1.00 0.00 H new ATOM 0 HA ASN A 77 12.726 -10.680 -0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.523 -11.036 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.013 -11.946 -2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.035 -13.673 -0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.571 -14.131 0.227 1.00 0.00 H new ATOM 1243 N LYS A 78 13.489 -9.028 -2.042 1.00 0.00 N ATOM 1244 CA LYS A 78 13.969 -7.984 -2.932 1.00 0.00 C ATOM 1245 C LYS A 78 13.885 -8.475 -4.379 1.00 0.00 C ATOM 1246 O LYS A 78 14.867 -8.971 -4.927 1.00 0.00 O ATOM 1247 CB LYS A 78 15.371 -7.530 -2.517 1.00 0.00 C ATOM 1248 CG LYS A 78 15.774 -6.251 -3.253 1.00 0.00 C ATOM 1249 CD LYS A 78 15.521 -5.016 -2.387 1.00 0.00 C ATOM 1250 CE LYS A 78 16.823 -4.257 -2.123 1.00 0.00 C ATOM 1251 NZ LYS A 78 16.849 -3.740 -0.736 1.00 0.00 N ATOM 0 H LYS A 78 14.219 -9.618 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 78 13.337 -7.099 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.398 -7.358 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.091 -8.320 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.829 -6.300 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.210 -6.169 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.807 -4.359 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.072 -5.317 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.675 -4.916 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.919 -3.431 -2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.739 -3.227 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.046 -3.095 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.780 -4.534 -0.068 1.00 0.00 H new ATOM 1265 N ARG A 79 12.703 -8.316 -4.956 1.00 0.00 N ATOM 1266 CA ARG A 79 12.479 -8.736 -6.328 1.00 0.00 C ATOM 1267 C ARG A 79 12.639 -7.550 -7.280 1.00 0.00 C ATOM 1268 O ARG A 79 13.019 -6.457 -6.858 1.00 0.00 O ATOM 1269 CB ARG A 79 11.079 -9.332 -6.500 1.00 0.00 C ATOM 1270 CG ARG A 79 10.918 -10.603 -5.662 1.00 0.00 C ATOM 1271 CD ARG A 79 11.018 -11.853 -6.538 1.00 0.00 C ATOM 1272 NE ARG A 79 11.171 -13.055 -5.690 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.296 -13.373 -5.033 1.00 0.00 C ATOM 1274 NH1 ARG A 79 13.373 -12.579 -5.126 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.345 -14.483 -4.286 1.00 0.00 N ATOM 0 H ARG A 79 11.891 -7.902 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 79 13.220 -9.500 -6.565 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.329 -8.599 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.904 -9.560 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.686 -10.633 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.954 -10.588 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.125 -11.946 -7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.868 -11.765 -7.215 1.00 0.00 H new ATOM 0 HE ARG A 79 10.371 -13.681 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.336 -11.734 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.229 -12.820 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.526 -15.087 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.201 -14.724 -3.787 1.00 0.00 H new ATOM 1289 N LYS A 80 12.342 -7.802 -8.545 1.00 0.00 N ATOM 1290 CA LYS A 80 12.450 -6.768 -9.561 1.00 0.00 C ATOM 1291 C LYS A 80 11.370 -5.711 -9.322 1.00 0.00 C ATOM 1292 O LYS A 80 11.662 -4.517 -9.278 1.00 0.00 O ATOM 1293 CB LYS A 80 12.408 -7.384 -10.961 1.00 0.00 C ATOM 1294 CG LYS A 80 13.609 -6.931 -11.794 1.00 0.00 C ATOM 1295 CD LYS A 80 13.397 -7.249 -13.276 1.00 0.00 C ATOM 1296 CE LYS A 80 12.393 -6.282 -13.907 1.00 0.00 C ATOM 1297 NZ LYS A 80 12.094 -6.681 -15.300 1.00 0.00 N ATOM 0 H LYS A 80 12.026 -8.708 -8.891 1.00 0.00 H new ATOM 0 HA LYS A 80 13.413 -6.263 -9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.403 -8.471 -10.884 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.484 -7.096 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.762 -5.859 -11.666 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.512 -7.427 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.348 -7.187 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.038 -8.273 -13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.474 -6.269 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.795 -5.269 -13.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.411 -6.014 -15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.970 -6.670 -15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.690 -7.639 -15.308 1.00 0.00 H new ATOM 1311 N GLY A 81 10.142 -6.188 -9.174 1.00 0.00 N ATOM 1312 CA GLY A 81 9.017 -5.300 -8.942 1.00 0.00 C ATOM 1313 C GLY A 81 9.076 -4.696 -7.537 1.00 0.00 C ATOM 1314 O GLY A 81 8.283 -3.817 -7.201 1.00 0.00 O ATOM 0 H GLY A 81 9.903 -7.179 -9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.019 -4.502 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 81 8.084 -5.849 -9.067 1.00 0.00 H new ATOM 1318 N PHE A 82 10.024 -5.191 -6.754 1.00 0.00 N ATOM 1319 CA PHE A 82 10.197 -4.711 -5.394 1.00 0.00 C ATOM 1320 C PHE A 82 11.030 -3.428 -5.368 1.00 0.00 C ATOM 1321 O PHE A 82 10.672 -2.465 -4.688 1.00 0.00 O ATOM 1322 CB PHE A 82 10.943 -5.805 -4.626 1.00 0.00 C ATOM 1323 CG PHE A 82 11.383 -5.388 -3.221 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.339 -4.433 -3.063 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.819 -5.972 -2.130 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.747 -4.047 -1.759 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.227 -5.585 -0.827 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.183 -4.631 -0.669 1.00 0.00 C ATOM 0 H PHE A 82 10.680 -5.919 -7.036 1.00 0.00 H new ATOM 0 HA PHE A 82 9.226 -4.491 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.302 -6.683 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.822 -6.102 -5.198 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.787 -3.969 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.060 -6.730 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.506 -3.289 -1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.778 -6.048 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.494 -4.337 0.323 1.00 0.00 H new ATOM 1338 N SER A 83 12.123 -3.454 -6.114 1.00 0.00 N ATOM 1339 CA SER A 83 13.010 -2.304 -6.185 1.00 0.00 C ATOM 1340 C SER A 83 12.303 -1.141 -6.884 1.00 0.00 C ATOM 1341 O SER A 83 12.220 -0.042 -6.340 1.00 0.00 O ATOM 1342 CB SER A 83 14.308 -2.653 -6.914 1.00 0.00 C ATOM 1343 OG SER A 83 15.419 -1.922 -6.405 1.00 0.00 O ATOM 0 H SER A 83 12.416 -4.253 -6.676 1.00 0.00 H new ATOM 0 HA SER A 83 13.266 -2.006 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.502 -3.721 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.194 -2.445 -7.978 1.00 0.00 H new ATOM 0 HG SER A 83 16.229 -2.174 -6.895 1.00 0.00 H new ATOM 1349 N GLU A 84 11.812 -1.423 -8.083 1.00 0.00 N ATOM 1350 CA GLU A 84 11.116 -0.415 -8.863 1.00 0.00 C ATOM 1351 C GLU A 84 9.775 -0.072 -8.212 1.00 0.00 C ATOM 1352 O GLU A 84 9.308 1.062 -8.303 1.00 0.00 O ATOM 1353 CB GLU A 84 10.922 -0.877 -10.307 1.00 0.00 C ATOM 1354 CG GLU A 84 9.616 -1.660 -10.462 1.00 0.00 C ATOM 1355 CD GLU A 84 9.464 -2.199 -11.886 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.500 -2.617 -12.448 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.316 -2.180 -12.381 1.00 0.00 O ATOM 0 H GLU A 84 11.883 -2.336 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 84 11.728 0.487 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.913 -0.013 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.763 -1.502 -10.609 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.598 -2.487 -9.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.771 -1.015 -10.222 1.00 0.00 H new ATOM 1364 N GLY A 85 9.193 -1.074 -7.567 1.00 0.00 N ATOM 1365 CA GLY A 85 7.914 -0.892 -6.901 1.00 0.00 C ATOM 1366 C GLY A 85 8.043 0.073 -5.721 1.00 0.00 C ATOM 1367 O GLY A 85 7.293 1.043 -5.625 1.00 0.00 O ATOM 0 H GLY A 85 9.584 -2.013 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.182 -0.508 -7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.543 -1.855 -6.549 1.00 0.00 H new ATOM 1371 N LEU A 86 8.999 -0.225 -4.855 1.00 0.00 N ATOM 1372 CA LEU A 86 9.235 0.604 -3.686 1.00 0.00 C ATOM 1373 C LEU A 86 9.646 2.008 -4.137 1.00 0.00 C ATOM 1374 O LEU A 86 9.407 2.985 -3.431 1.00 0.00 O ATOM 1375 CB LEU A 86 10.247 -0.062 -2.752 1.00 0.00 C ATOM 1376 CG LEU A 86 11.163 0.883 -1.971 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.122 1.617 -2.910 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.346 1.851 -1.112 1.00 0.00 C ATOM 0 H LEU A 86 9.620 -1.030 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 86 8.320 0.710 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.701 -0.679 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.870 -0.733 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 86 11.772 0.286 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.762 2.282 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.739 0.891 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.550 2.201 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.020 2.512 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.695 2.445 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.740 1.286 -0.403 1.00 0.00 H new ATOM 1390 N TRP A 87 10.258 2.062 -5.312 1.00 0.00 N ATOM 1391 CA TRP A 87 10.704 3.329 -5.865 1.00 0.00 C ATOM 1392 C TRP A 87 9.533 3.950 -6.630 1.00 0.00 C ATOM 1393 O TRP A 87 9.510 5.157 -6.863 1.00 0.00 O ATOM 1394 CB TRP A 87 11.950 3.141 -6.732 1.00 0.00 C ATOM 1395 CG TRP A 87 13.168 3.934 -6.254 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.492 5.203 -6.544 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.216 3.459 -5.382 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.667 5.577 -5.927 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.121 4.485 -5.198 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.395 2.205 -4.772 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.268 4.362 -4.404 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.544 2.099 -3.981 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.465 3.120 -3.785 1.00 0.00 C ATOM 0 H TRP A 87 10.455 1.249 -5.895 1.00 0.00 H new ATOM 0 HA TRP A 87 11.003 4.012 -5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.206 2.082 -6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.716 3.436 -7.755 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.906 5.850 -7.180 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.120 6.488 -5.994 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.701 1.388 -4.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.962 5.179 -4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.728 1.156 -3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.329 2.958 -3.158 1.00 0.00 H new ATOM 1414 N GLU A 88 8.589 3.097 -6.997 1.00 0.00 N ATOM 1415 CA GLU A 88 7.418 3.545 -7.730 1.00 0.00 C ATOM 1416 C GLU A 88 6.484 4.334 -6.809 1.00 0.00 C ATOM 1417 O GLU A 88 5.718 5.178 -7.269 1.00 0.00 O ATOM 1418 CB GLU A 88 6.686 2.366 -8.372 1.00 0.00 C ATOM 1419 CG GLU A 88 7.010 2.265 -9.863 1.00 0.00 C ATOM 1420 CD GLU A 88 5.757 1.936 -10.677 1.00 0.00 C ATOM 1421 OE1 GLU A 88 5.123 0.909 -10.353 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.461 2.720 -11.604 1.00 0.00 O ATOM 0 H GLU A 88 8.611 2.096 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 88 7.748 4.204 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.970 1.441 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.611 2.484 -8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.437 3.206 -10.210 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.764 1.495 -10.023 1.00 0.00 H new ATOM 1429 N ILE A 89 6.580 4.030 -5.522 1.00 0.00 N ATOM 1430 CA ILE A 89 5.755 4.700 -4.532 1.00 0.00 C ATOM 1431 C ILE A 89 6.556 5.833 -3.888 1.00 0.00 C ATOM 1432 O ILE A 89 6.027 6.918 -3.658 1.00 0.00 O ATOM 1433 CB ILE A 89 5.201 3.689 -3.526 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.688 4.392 -2.267 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.240 2.614 -3.199 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.850 4.828 -1.372 1.00 0.00 C ATOM 0 H ILE A 89 7.217 3.329 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 89 4.885 5.155 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 89 4.349 3.185 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.094 5.262 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.030 3.722 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.820 1.909 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.515 2.084 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.126 3.083 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.459 5.325 -0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.427 3.953 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.493 5.517 -1.920 1.00 0.00 H new ATOM 1448 N GLU A 90 7.819 5.540 -3.614 1.00 0.00 N ATOM 1449 CA GLU A 90 8.699 6.520 -3.002 1.00 0.00 C ATOM 1450 C GLU A 90 9.155 7.547 -4.041 1.00 0.00 C ATOM 1451 O GLU A 90 9.393 8.707 -3.710 1.00 0.00 O ATOM 1452 CB GLU A 90 9.898 5.843 -2.337 1.00 0.00 C ATOM 1453 CG GLU A 90 9.544 5.358 -0.930 1.00 0.00 C ATOM 1454 CD GLU A 90 10.747 5.473 0.009 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.830 4.998 -0.398 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.558 6.032 1.110 1.00 0.00 O ATOM 0 H GLU A 90 8.254 4.637 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 90 8.142 7.042 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.227 5.000 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.732 6.543 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.714 5.945 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.209 4.322 -0.972 1.00 0.00 H new ATOM 1463 N ASN A 91 9.265 7.082 -5.276 1.00 0.00 N ATOM 1464 CA ASN A 91 9.688 7.944 -6.366 1.00 0.00 C ATOM 1465 C ASN A 91 8.759 7.741 -7.563 1.00 0.00 C ATOM 1466 O ASN A 91 9.152 7.142 -8.564 1.00 0.00 O ATOM 1467 CB ASN A 91 11.114 7.609 -6.811 1.00 0.00 C ATOM 1468 CG ASN A 91 12.039 7.438 -5.605 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.685 6.453 -4.787 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.011 8.155 -5.430 1.00 0.00 N flip ATOM 0 H ASN A 91 9.068 6.118 -5.546 1.00 0.00 H new ATOM 0 HA ASN A 91 9.652 8.975 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.109 6.693 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.493 8.402 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.226 8.895 -6.099 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.608 8.015 -4.615 1.00 0.00 H new ATOM 1477 N ASN A 92 7.544 8.250 -7.422 1.00 0.00 N ATOM 1478 CA ASN A 92 6.554 8.131 -8.480 1.00 0.00 C ATOM 1479 C ASN A 92 7.035 8.903 -9.710 1.00 0.00 C ATOM 1480 O ASN A 92 7.847 9.819 -9.595 1.00 0.00 O ATOM 1481 CB ASN A 92 5.211 8.721 -8.046 1.00 0.00 C ATOM 1482 CG ASN A 92 5.408 10.033 -7.285 1.00 0.00 C ATOM 1483 OD1 ASN A 92 5.364 10.086 -6.066 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.626 11.085 -8.067 1.00 0.00 N ATOM 0 H ASN A 92 7.222 8.746 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 92 6.426 7.072 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.586 8.895 -8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 92 4.683 8.006 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.769 12.007 -7.654 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.650 10.971 -9.080 1.00 0.00 H new