USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 616 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 70 THR OG1 : rot 180:sc= 0.953 USER MOD Set 1.2: A 73 SER OG : rot -70:sc= 1.24 USER MOD Set 2.1: A 53 MET CE :methyl -174:sc= 0 (180deg=-0.021) USER MOD Set 2.2: A 69 SER OG : rot -39:sc= 0.0154 USER MOD Set 3.1: A 30 CYS SG : rot -174:sc= -0.912 USER MOD Set 3.2: A 42 MET CE :methyl 166:sc= -0.75 (180deg=-1.6) USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= -0.812 F(o=-1.9!,f=-0.81) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 20 GLN : amide:sc= -2.31! C(o=-2.3!,f=-3.7!) USER MOD Single : A 21 SER OG : rot -170:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -52:sc= 0.37 USER MOD Single : A 29 TYR OH : rot 153:sc= -0.611 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.23) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 82:sc= 0.119 USER MOD Single : A 47 SER OG : rot 180:sc= -0.133 USER MOD Single : A 51 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -75:sc= 1.97 USER MOD Single : A 64 SER OG : rot 20:sc= -0.0965 USER MOD Single : A 71 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD Single : A 76 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.36) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.06! C(o=-1.1!,f=-3.2!) USER MOD Single : A 84 THR OG1 : rot -69:sc= -0.871! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 30:sc= -4.01 USER MOD Single : A 94 TYR OH : rot 15:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 176 N PHE A 14 -12.283 1.855 11.307 1.00 0.00 N ATOM 177 CA PHE A 14 -12.220 3.227 10.819 1.00 0.00 C ATOM 178 C PHE A 14 -12.239 4.220 11.978 1.00 0.00 C ATOM 179 O PHE A 14 -11.495 5.199 11.982 1.00 0.00 O ATOM 180 CB PHE A 14 -13.389 3.508 9.873 1.00 0.00 C ATOM 181 CG PHE A 14 -13.582 4.968 9.576 1.00 0.00 C ATOM 182 CD1 PHE A 14 -12.896 5.574 8.537 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.452 5.733 10.337 1.00 0.00 C ATOM 184 CE1 PHE A 14 -13.072 6.917 8.263 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.633 7.077 10.067 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.943 7.669 9.028 1.00 0.00 C ATOM 0 HA PHE A 14 -11.283 3.349 10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.225 2.974 8.937 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.304 3.110 10.311 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.216 4.991 7.934 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.995 5.274 11.150 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.529 7.379 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.313 7.663 10.668 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.084 8.718 8.814 1.00 0.00 H new ATOM 196 N GLU A 15 -13.097 3.958 12.959 1.00 0.00 N ATOM 197 CA GLU A 15 -13.215 4.828 14.123 1.00 0.00 C ATOM 198 C GLU A 15 -11.879 4.945 14.853 1.00 0.00 C ATOM 199 O GLU A 15 -11.563 5.986 15.428 1.00 0.00 O ATOM 200 CB GLU A 15 -14.285 4.297 15.078 1.00 0.00 C ATOM 201 CG GLU A 15 -15.666 4.202 14.452 1.00 0.00 C ATOM 202 CD GLU A 15 -16.712 3.687 15.421 1.00 0.00 C ATOM 203 OE1 GLU A 15 -17.184 4.480 16.262 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.059 2.490 15.338 1.00 0.00 O ATOM 0 H GLU A 15 -13.720 3.151 12.971 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.508 5.819 13.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.987 3.310 15.432 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.335 4.947 15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.965 5.186 14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.623 3.542 13.585 1.00 0.00 H new ATOM 211 N ASP A 16 -11.101 3.869 14.824 1.00 0.00 N ATOM 212 CA ASP A 16 -9.800 3.849 15.481 1.00 0.00 C ATOM 213 C ASP A 16 -8.730 4.474 14.590 1.00 0.00 C ATOM 214 O ASP A 16 -7.961 5.328 15.031 1.00 0.00 O ATOM 215 CB ASP A 16 -9.407 2.415 15.840 1.00 0.00 C ATOM 216 CG ASP A 16 -8.630 2.335 17.140 1.00 0.00 C ATOM 217 OD1 ASP A 16 -9.226 2.598 18.205 1.00 0.00 O ATOM 218 OD2 ASP A 16 -7.426 2.008 17.092 1.00 0.00 O ATOM 0 H ASP A 16 -11.349 2.999 14.352 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.875 4.437 16.396 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.306 1.804 15.920 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.806 1.994 15.034 1.00 0.00 H new ATOM 223 N VAL A 17 -8.688 4.043 13.333 1.00 0.00 N ATOM 224 CA VAL A 17 -7.714 4.559 12.380 1.00 0.00 C ATOM 225 C VAL A 17 -7.873 6.065 12.194 1.00 0.00 C ATOM 226 O VAL A 17 -6.890 6.790 12.049 1.00 0.00 O ATOM 227 CB VAL A 17 -7.847 3.867 11.010 1.00 0.00 C ATOM 228 CG1 VAL A 17 -7.011 4.588 9.964 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.442 2.404 11.112 1.00 0.00 C ATOM 0 H VAL A 17 -9.318 3.337 12.952 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.727 4.348 12.791 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.891 3.911 10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.118 4.085 9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.352 5.619 9.873 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.963 4.577 10.265 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.542 1.930 10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.406 2.336 11.444 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.087 1.897 11.829 1.00 0.00 H new ATOM 239 N VAL A 18 -9.119 6.527 12.197 1.00 0.00 N ATOM 240 CA VAL A 18 -9.408 7.947 12.031 1.00 0.00 C ATOM 241 C VAL A 18 -9.215 8.704 13.340 1.00 0.00 C ATOM 242 O VAL A 18 -10.074 9.483 13.751 1.00 0.00 O ATOM 243 CB VAL A 18 -10.846 8.172 11.527 1.00 0.00 C ATOM 244 CG1 VAL A 18 -11.852 7.838 12.618 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.023 9.604 11.047 1.00 0.00 C ATOM 0 H VAL A 18 -9.945 5.939 12.312 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.707 8.328 11.288 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.026 7.505 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.862 8.003 12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.739 6.794 12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.676 8.478 13.483 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.045 9.746 10.694 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.825 10.291 11.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.327 9.803 10.232 1.00 0.00 H new ATOM 255 N ASN A 19 -8.079 8.471 13.990 1.00 0.00 N ATOM 256 CA ASN A 19 -7.773 9.132 15.254 1.00 0.00 C ATOM 257 C ASN A 19 -6.352 8.809 15.705 1.00 0.00 C ATOM 258 O ASN A 19 -5.678 9.643 16.310 1.00 0.00 O ATOM 259 CB ASN A 19 -8.773 8.705 16.332 1.00 0.00 C ATOM 260 CG ASN A 19 -9.594 9.869 16.851 1.00 0.00 C ATOM 261 OD1 ASN A 19 -9.049 10.853 17.354 1.00 0.00 O ATOM 262 ND2 ASN A 19 -10.912 9.763 16.732 1.00 0.00 N ATOM 0 H ASN A 19 -7.356 7.830 13.663 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.851 10.209 15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.441 7.946 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.235 8.245 17.161 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.516 10.515 17.064 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.320 8.930 16.309 1.00 0.00 H new ATOM 269 N GLN A 20 -5.904 7.593 15.408 1.00 0.00 N ATOM 270 CA GLN A 20 -4.564 7.161 15.785 1.00 0.00 C ATOM 271 C GLN A 20 -3.573 8.318 15.692 1.00 0.00 C ATOM 272 O GLN A 20 -2.842 8.599 16.642 1.00 0.00 O ATOM 273 CB GLN A 20 -4.106 6.008 14.888 1.00 0.00 C ATOM 274 CG GLN A 20 -4.713 4.667 15.265 1.00 0.00 C ATOM 275 CD GLN A 20 -4.829 3.726 14.082 1.00 0.00 C ATOM 276 OE1 GLN A 20 -4.420 4.058 12.968 1.00 0.00 O ATOM 277 NE2 GLN A 20 -5.388 2.545 14.317 1.00 0.00 N ATOM 0 H GLN A 20 -6.449 6.891 14.908 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.597 6.817 16.819 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.366 6.237 13.854 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.020 5.932 14.934 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.102 4.200 16.037 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.702 4.828 15.695 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.713 2.312 15.255 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.493 1.871 13.559 1.00 0.00 H new ATOM 286 N SER A 21 -3.553 8.983 14.541 1.00 0.00 N ATOM 287 CA SER A 21 -2.649 10.106 14.323 1.00 0.00 C ATOM 288 C SER A 21 -3.430 11.403 14.132 1.00 0.00 C ATOM 289 O SER A 21 -4.614 11.384 13.798 1.00 0.00 O ATOM 290 CB SER A 21 -1.763 9.844 13.103 1.00 0.00 C ATOM 291 OG SER A 21 -0.623 9.081 13.456 1.00 0.00 O ATOM 0 H SER A 21 -4.152 8.763 13.745 1.00 0.00 H new ATOM 0 HA SER A 21 -2.018 10.210 15.205 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.336 9.317 12.340 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.449 10.792 12.667 1.00 0.00 H new ATOM 0 HG SER A 21 0.003 9.060 12.702 1.00 0.00 H new ATOM 297 N SER A 22 -2.756 12.528 14.345 1.00 0.00 N ATOM 298 CA SER A 22 -3.386 13.835 14.199 1.00 0.00 C ATOM 299 C SER A 22 -4.070 13.961 12.841 1.00 0.00 C ATOM 300 O SER A 22 -3.599 13.440 11.830 1.00 0.00 O ATOM 301 CB SER A 22 -2.347 14.947 14.364 1.00 0.00 C ATOM 302 OG SER A 22 -1.854 14.991 15.692 1.00 0.00 O ATOM 0 H SER A 22 -1.774 12.561 14.619 1.00 0.00 H new ATOM 0 HA SER A 22 -4.142 13.935 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.521 14.783 13.671 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.793 15.907 14.106 1.00 0.00 H new ATOM 0 HG SER A 22 -1.191 15.708 15.771 1.00 0.00 H new ATOM 308 N PRO A 23 -5.210 14.667 12.817 1.00 0.00 N ATOM 309 CA PRO A 23 -5.984 14.879 11.591 1.00 0.00 C ATOM 310 C PRO A 23 -5.274 15.804 10.609 1.00 0.00 C ATOM 311 O PRO A 23 -5.491 15.727 9.399 1.00 0.00 O ATOM 312 CB PRO A 23 -7.277 15.523 12.094 1.00 0.00 C ATOM 313 CG PRO A 23 -6.899 16.180 13.376 1.00 0.00 C ATOM 314 CD PRO A 23 -5.830 15.315 13.985 1.00 0.00 C ATOM 0 HA PRO A 23 -6.140 13.950 11.043 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.664 16.247 11.377 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.057 14.777 12.246 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.531 17.191 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.759 16.263 14.040 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.107 15.906 14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.250 14.583 14.675 1.00 0.00 H new ATOM 322 N LYS A 24 -4.425 16.679 11.136 1.00 0.00 N ATOM 323 CA LYS A 24 -3.681 17.619 10.307 1.00 0.00 C ATOM 324 C LYS A 24 -2.743 16.882 9.356 1.00 0.00 C ATOM 325 O LYS A 24 -2.683 17.191 8.166 1.00 0.00 O ATOM 326 CB LYS A 24 -2.879 18.583 11.185 1.00 0.00 C ATOM 327 CG LYS A 24 -3.666 19.805 11.624 1.00 0.00 C ATOM 328 CD LYS A 24 -3.367 20.174 13.066 1.00 0.00 C ATOM 329 CE LYS A 24 -3.794 21.600 13.377 1.00 0.00 C ATOM 330 NZ LYS A 24 -3.667 21.914 14.827 1.00 0.00 N ATOM 0 H LYS A 24 -4.235 16.757 12.135 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.398 18.188 9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.529 18.050 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.994 18.909 10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.424 20.647 10.975 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.733 19.611 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.884 19.485 13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.300 20.063 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.184 22.295 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.828 21.746 13.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.968 22.895 14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.268 21.267 15.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.676 21.800 15.121 1.00 0.00 H new ATOM 344 N ASN A 25 -2.015 15.906 9.888 1.00 0.00 N ATOM 345 CA ASN A 25 -1.081 15.124 9.086 1.00 0.00 C ATOM 346 C ASN A 25 -1.713 13.808 8.644 1.00 0.00 C ATOM 347 O ASN A 25 -1.820 12.865 9.428 1.00 0.00 O ATOM 348 CB ASN A 25 0.197 14.848 9.879 1.00 0.00 C ATOM 349 CG ASN A 25 0.847 13.534 9.491 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.507 12.471 10.211 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.643 13.475 8.553 1.00 0.00 N flip ATOM 0 H ASN A 25 -2.054 15.638 10.871 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.831 15.703 8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.904 15.662 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.035 14.835 10.944 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.875 14.318 8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.070 12.583 8.302 1.00 0.00 H new ATOM 358 N CYS A 26 -2.130 13.753 7.384 1.00 0.00 N ATOM 359 CA CYS A 26 -2.752 12.552 6.837 1.00 0.00 C ATOM 360 C CYS A 26 -1.858 11.911 5.779 1.00 0.00 C ATOM 361 O CYS A 26 -1.783 12.382 4.645 1.00 0.00 O ATOM 362 CB CYS A 26 -4.116 12.889 6.232 1.00 0.00 C ATOM 363 SG CYS A 26 -4.850 14.413 6.871 1.00 0.00 S ATOM 0 H CYS A 26 -2.049 14.525 6.722 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.889 11.841 7.651 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.011 12.975 5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.800 12.062 6.421 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.863 14.377 8.170 1.00 0.00 H new ATOM 369 N THR A 27 -1.180 10.833 6.161 1.00 0.00 N ATOM 370 CA THR A 27 -0.289 10.127 5.248 1.00 0.00 C ATOM 371 C THR A 27 -0.575 8.629 5.248 1.00 0.00 C ATOM 372 O THR A 27 -0.972 8.064 6.267 1.00 0.00 O ATOM 373 CB THR A 27 1.188 10.357 5.615 1.00 0.00 C ATOM 374 OG1 THR A 27 1.401 11.732 5.955 1.00 0.00 O ATOM 375 CG2 THR A 27 2.100 9.968 4.461 1.00 0.00 C ATOM 0 H THR A 27 -1.231 10.430 7.097 1.00 0.00 H new ATOM 0 HA THR A 27 -0.474 10.529 4.252 1.00 0.00 H new ATOM 0 HB THR A 27 1.427 9.730 6.474 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.343 11.869 6.189 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.139 10.139 4.744 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.958 8.914 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.858 10.572 3.586 1.00 0.00 H new ATOM 383 N VAL A 28 -0.369 7.993 4.100 1.00 0.00 N ATOM 384 CA VAL A 28 -0.602 6.559 3.970 1.00 0.00 C ATOM 385 C VAL A 28 0.673 5.830 3.560 1.00 0.00 C ATOM 386 O VAL A 28 1.123 5.938 2.419 1.00 0.00 O ATOM 387 CB VAL A 28 -1.705 6.262 2.937 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.856 4.762 2.732 1.00 0.00 C ATOM 389 CG2 VAL A 28 -3.023 6.884 3.370 1.00 0.00 C ATOM 0 H VAL A 28 -0.042 8.447 3.247 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.924 6.200 4.948 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.415 6.707 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.640 4.572 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.914 4.347 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.122 4.290 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.790 6.664 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.321 6.471 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.904 7.964 3.459 1.00 0.00 H new ATOM 399 N TYR A 29 1.251 5.088 4.497 1.00 0.00 N ATOM 400 CA TYR A 29 2.475 4.342 4.235 1.00 0.00 C ATOM 401 C TYR A 29 2.161 2.920 3.781 1.00 0.00 C ATOM 402 O TYR A 29 1.627 2.115 4.546 1.00 0.00 O ATOM 403 CB TYR A 29 3.354 4.306 5.487 1.00 0.00 C ATOM 404 CG TYR A 29 4.648 3.547 5.297 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.678 2.160 5.360 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.841 4.218 5.058 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.857 1.462 5.187 1.00 0.00 C ATOM 408 CE2 TYR A 29 7.025 3.529 4.882 1.00 0.00 C ATOM 409 CZ TYR A 29 7.029 2.151 4.949 1.00 0.00 C ATOM 410 OH TYR A 29 8.206 1.460 4.776 1.00 0.00 O ATOM 0 H TYR A 29 0.891 4.987 5.446 1.00 0.00 H new ATOM 0 HA TYR A 29 3.014 4.849 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.583 5.328 5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.792 3.851 6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.763 1.618 5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.842 5.297 5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.862 0.383 5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.943 4.066 4.693 1.00 0.00 H new ATOM 0 HH TYR A 29 8.815 1.986 4.217 1.00 0.00 H new ATOM 420 N CYS A 30 2.496 2.617 2.532 1.00 0.00 N ATOM 421 CA CYS A 30 2.249 1.292 1.973 1.00 0.00 C ATOM 422 C CYS A 30 3.539 0.479 1.914 1.00 0.00 C ATOM 423 O CYS A 30 4.460 0.811 1.171 1.00 0.00 O ATOM 424 CB CYS A 30 1.643 1.410 0.575 1.00 0.00 C ATOM 425 SG CYS A 30 0.800 -0.086 0.007 1.00 0.00 S ATOM 0 H CYS A 30 2.939 3.271 1.887 1.00 0.00 H new ATOM 0 HA CYS A 30 1.544 0.776 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.935 2.239 0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.434 1.659 -0.132 1.00 0.00 H new ATOM 0 HG CYS A 30 0.437 0.064 -1.232 1.00 0.00 H new ATOM 431 N GLY A 31 3.596 -0.588 2.706 1.00 0.00 N ATOM 432 CA GLY A 31 4.776 -1.431 2.730 1.00 0.00 C ATOM 433 C GLY A 31 4.466 -2.875 2.388 1.00 0.00 C ATOM 434 O GLY A 31 3.555 -3.473 2.959 1.00 0.00 O ATOM 0 H GLY A 31 2.846 -0.883 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.510 -1.043 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.231 -1.385 3.719 1.00 0.00 H new ATOM 438 N GLY A 32 5.225 -3.437 1.453 1.00 0.00 N ATOM 439 CA GLY A 32 5.009 -4.814 1.050 1.00 0.00 C ATOM 440 C GLY A 32 5.548 -5.105 -0.337 1.00 0.00 C ATOM 441 O GLY A 32 6.314 -6.050 -0.526 1.00 0.00 O ATOM 0 H GLY A 32 5.986 -2.963 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.488 -5.479 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.942 -5.033 1.075 1.00 0.00 H new ATOM 445 N ILE A 33 5.145 -4.294 -1.308 1.00 0.00 N ATOM 446 CA ILE A 33 5.592 -4.468 -2.684 1.00 0.00 C ATOM 447 C ILE A 33 7.102 -4.285 -2.799 1.00 0.00 C ATOM 448 O ILE A 33 7.675 -3.381 -2.194 1.00 0.00 O ATOM 449 CB ILE A 33 4.892 -3.479 -3.634 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.373 -3.586 -3.489 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.312 -3.740 -5.073 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.671 -2.245 -3.480 1.00 0.00 C ATOM 0 H ILE A 33 4.509 -3.509 -1.167 1.00 0.00 H new ATOM 0 HA ILE A 33 5.328 -5.485 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 33 5.193 -2.466 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.979 -4.188 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.141 -4.115 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.809 -3.033 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.391 -3.617 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.037 -4.757 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.597 -2.397 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.037 -1.648 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.873 -1.722 -4.415 1.00 0.00 H new ATOM 464 N ALA A 34 7.739 -5.151 -3.582 1.00 0.00 N ATOM 465 CA ALA A 34 9.182 -5.082 -3.780 1.00 0.00 C ATOM 466 C ALA A 34 9.538 -5.187 -5.258 1.00 0.00 C ATOM 467 O ALA A 34 10.477 -4.544 -5.727 1.00 0.00 O ATOM 468 CB ALA A 34 9.875 -6.181 -2.988 1.00 0.00 C ATOM 0 H ALA A 34 7.279 -5.907 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 34 9.529 -4.114 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.952 -6.118 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.655 -6.059 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.515 -7.154 -3.324 1.00 0.00 H new ATOM 474 N SER A 35 8.784 -6.003 -5.988 1.00 0.00 N ATOM 475 CA SER A 35 9.024 -6.196 -7.413 1.00 0.00 C ATOM 476 C SER A 35 7.825 -5.730 -8.234 1.00 0.00 C ATOM 477 O SER A 35 7.618 -6.177 -9.361 1.00 0.00 O ATOM 478 CB SER A 35 9.317 -7.668 -7.708 1.00 0.00 C ATOM 479 OG SER A 35 8.190 -8.479 -7.424 1.00 0.00 O ATOM 0 H SER A 35 8.002 -6.541 -5.616 1.00 0.00 H new ATOM 0 HA SER A 35 9.890 -5.597 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.598 -7.784 -8.755 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.167 -7.999 -7.112 1.00 0.00 H new ATOM 0 HG SER A 35 8.402 -9.415 -7.622 1.00 0.00 H new ATOM 485 N GLY A 36 7.037 -4.827 -7.658 1.00 0.00 N ATOM 486 CA GLY A 36 5.868 -4.315 -8.350 1.00 0.00 C ATOM 487 C GLY A 36 5.400 -2.986 -7.790 1.00 0.00 C ATOM 488 O GLY A 36 4.200 -2.761 -7.625 1.00 0.00 O ATOM 0 H GLY A 36 7.187 -4.441 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.098 -4.199 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.059 -5.042 -8.277 1.00 0.00 H new ATOM 492 N LEU A 37 6.348 -2.102 -7.497 1.00 0.00 N ATOM 493 CA LEU A 37 6.027 -0.788 -6.952 1.00 0.00 C ATOM 494 C LEU A 37 6.085 0.282 -8.036 1.00 0.00 C ATOM 495 O LEU A 37 7.166 0.687 -8.468 1.00 0.00 O ATOM 496 CB LEU A 37 6.991 -0.434 -5.818 1.00 0.00 C ATOM 497 CG LEU A 37 6.360 0.156 -4.558 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.407 0.878 -3.724 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.223 1.101 -4.923 1.00 0.00 C ATOM 0 H LEU A 37 7.345 -2.272 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 37 5.011 -0.825 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.537 -1.335 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.723 0.277 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 37 5.951 -0.661 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.939 1.292 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.188 0.175 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.846 1.685 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.785 1.512 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.609 1.913 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.460 0.555 -5.478 1.00 0.00 H new ATOM 511 N THR A 38 4.915 0.739 -8.475 1.00 0.00 N ATOM 512 CA THR A 38 4.833 1.762 -9.508 1.00 0.00 C ATOM 513 C THR A 38 3.790 2.816 -9.157 1.00 0.00 C ATOM 514 O THR A 38 2.710 2.493 -8.660 1.00 0.00 O ATOM 515 CB THR A 38 4.487 1.150 -10.879 1.00 0.00 C ATOM 516 OG1 THR A 38 3.196 0.532 -10.827 1.00 0.00 O ATOM 517 CG2 THR A 38 5.531 0.123 -11.292 1.00 0.00 C ATOM 0 H THR A 38 4.011 0.415 -8.130 1.00 0.00 H new ATOM 0 HA THR A 38 5.815 2.232 -9.565 1.00 0.00 H new ATOM 0 HB THR A 38 4.476 1.951 -11.618 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.982 0.147 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.266 -0.295 -12.263 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.507 0.603 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.569 -0.675 -10.551 1.00 0.00 H new ATOM 525 N ASP A 39 4.117 4.076 -9.419 1.00 0.00 N ATOM 526 CA ASP A 39 3.206 5.179 -9.132 1.00 0.00 C ATOM 527 C ASP A 39 1.811 4.887 -9.675 1.00 0.00 C ATOM 528 O ASP A 39 0.809 5.277 -9.078 1.00 0.00 O ATOM 529 CB ASP A 39 3.739 6.480 -9.735 1.00 0.00 C ATOM 530 CG ASP A 39 3.431 6.601 -11.214 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.350 7.128 -11.554 1.00 0.00 O ATOM 532 OD2 ASP A 39 4.270 6.170 -12.032 1.00 0.00 O ATOM 0 H ASP A 39 5.006 4.360 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 39 3.140 5.290 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.304 7.328 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.818 6.531 -9.586 1.00 0.00 H new ATOM 537 N GLN A 40 1.756 4.197 -10.810 1.00 0.00 N ATOM 538 CA GLN A 40 0.483 3.855 -11.435 1.00 0.00 C ATOM 539 C GLN A 40 -0.319 2.906 -10.549 1.00 0.00 C ATOM 540 O GLN A 40 -1.549 2.965 -10.513 1.00 0.00 O ATOM 541 CB GLN A 40 0.718 3.216 -12.804 1.00 0.00 C ATOM 542 CG GLN A 40 -0.548 2.673 -13.447 1.00 0.00 C ATOM 543 CD GLN A 40 -0.364 1.276 -14.007 1.00 0.00 C ATOM 544 OE1 GLN A 40 0.157 0.387 -13.332 1.00 0.00 O ATOM 545 NE2 GLN A 40 -0.793 1.074 -15.248 1.00 0.00 N ATOM 0 H GLN A 40 2.577 3.864 -11.315 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.088 4.774 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.165 3.955 -13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.439 2.405 -12.698 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.350 2.662 -12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.861 3.343 -14.248 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.219 1.839 -15.771 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.697 0.154 -15.677 1.00 0.00 H new ATOM 554 N LEU A 41 0.384 2.033 -9.837 1.00 0.00 N ATOM 555 CA LEU A 41 -0.263 1.071 -8.951 1.00 0.00 C ATOM 556 C LEU A 41 -0.892 1.773 -7.751 1.00 0.00 C ATOM 557 O LEU A 41 -2.099 1.681 -7.529 1.00 0.00 O ATOM 558 CB LEU A 41 0.748 0.028 -8.473 1.00 0.00 C ATOM 559 CG LEU A 41 0.196 -1.084 -7.580 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.761 -1.971 -8.364 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.331 -1.909 -6.992 1.00 0.00 C ATOM 0 H LEU A 41 1.402 1.971 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.053 0.572 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.207 -0.431 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.541 0.542 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.355 -0.626 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.144 -2.757 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.591 -1.371 -8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.234 -2.421 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.919 -2.695 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.910 -2.358 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.978 -1.265 -6.396 1.00 0.00 H new ATOM 573 N MET A 42 -0.066 2.475 -6.983 1.00 0.00 N ATOM 574 CA MET A 42 -0.542 3.194 -5.807 1.00 0.00 C ATOM 575 C MET A 42 -1.607 4.217 -6.191 1.00 0.00 C ATOM 576 O MET A 42 -2.604 4.382 -5.488 1.00 0.00 O ATOM 577 CB MET A 42 0.623 3.894 -5.103 1.00 0.00 C ATOM 578 CG MET A 42 1.612 2.932 -4.466 1.00 0.00 C ATOM 579 SD MET A 42 0.858 1.903 -3.192 1.00 0.00 S ATOM 580 CE MET A 42 0.756 0.331 -4.044 1.00 0.00 C ATOM 0 H MET A 42 0.936 2.561 -7.154 1.00 0.00 H new ATOM 0 HA MET A 42 -0.987 2.470 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.150 4.520 -5.824 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.227 4.557 -4.334 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.039 2.292 -5.238 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.435 3.499 -4.030 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.547 -0.460 -3.324 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.044 0.369 -4.783 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.703 0.126 -4.544 1.00 0.00 H new ATOM 590 N ARG A 43 -1.389 4.900 -7.310 1.00 0.00 N ATOM 591 CA ARG A 43 -2.330 5.908 -7.785 1.00 0.00 C ATOM 592 C ARG A 43 -3.681 5.280 -8.110 1.00 0.00 C ATOM 593 O ARG A 43 -4.725 5.779 -7.691 1.00 0.00 O ATOM 594 CB ARG A 43 -1.772 6.612 -9.024 1.00 0.00 C ATOM 595 CG ARG A 43 -2.534 7.871 -9.403 1.00 0.00 C ATOM 596 CD ARG A 43 -1.621 8.903 -10.046 1.00 0.00 C ATOM 597 NE ARG A 43 -1.387 10.048 -9.169 1.00 0.00 N ATOM 598 CZ ARG A 43 -2.284 11.002 -8.951 1.00 0.00 C ATOM 599 NH1 ARG A 43 -3.469 10.949 -9.542 1.00 0.00 N ATOM 600 NH2 ARG A 43 -1.997 12.012 -8.139 1.00 0.00 N ATOM 0 H ARG A 43 -0.570 4.774 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.471 6.641 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.728 6.869 -8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.791 5.919 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.339 7.617 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.998 8.298 -8.514 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.668 8.438 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.064 9.247 -10.981 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.485 10.118 -8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.694 10.174 -10.166 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.157 11.683 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.086 12.056 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.687 12.744 -7.972 1.00 0.00 H new ATOM 614 N GLN A 44 -3.653 4.181 -8.859 1.00 0.00 N ATOM 615 CA GLN A 44 -4.877 3.486 -9.241 1.00 0.00 C ATOM 616 C GLN A 44 -5.536 2.838 -8.027 1.00 0.00 C ATOM 617 O GLN A 44 -6.762 2.781 -7.928 1.00 0.00 O ATOM 618 CB GLN A 44 -4.576 2.425 -10.301 1.00 0.00 C ATOM 619 CG GLN A 44 -5.736 2.167 -11.249 1.00 0.00 C ATOM 620 CD GLN A 44 -5.277 1.754 -12.634 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.861 2.589 -13.437 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.348 0.460 -12.919 1.00 0.00 N ATOM 0 H GLN A 44 -2.797 3.754 -9.213 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.567 4.219 -9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.707 2.738 -10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.309 1.492 -9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.373 1.386 -10.834 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.345 3.068 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.700 -0.197 -12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.051 0.122 -13.835 1.00 0.00 H new ATOM 631 N THR A 45 -4.713 2.348 -7.104 1.00 0.00 N ATOM 632 CA THR A 45 -5.214 1.702 -5.898 1.00 0.00 C ATOM 633 C THR A 45 -5.907 2.707 -4.984 1.00 0.00 C ATOM 634 O THR A 45 -7.049 2.501 -4.571 1.00 0.00 O ATOM 635 CB THR A 45 -4.081 1.012 -5.117 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.710 -0.208 -5.768 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.509 0.720 -3.687 1.00 0.00 C ATOM 0 H THR A 45 -3.696 2.387 -7.170 1.00 0.00 H new ATOM 0 HA THR A 45 -5.934 0.949 -6.219 1.00 0.00 H new ATOM 0 HB THR A 45 -3.224 1.685 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.090 -0.012 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.692 0.232 -3.155 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.763 1.654 -3.185 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.380 0.064 -3.694 1.00 0.00 H new ATOM 645 N PHE A 46 -5.211 3.795 -4.673 1.00 0.00 N ATOM 646 CA PHE A 46 -5.759 4.832 -3.807 1.00 0.00 C ATOM 647 C PHE A 46 -6.673 5.769 -4.592 1.00 0.00 C ATOM 648 O PHE A 46 -7.481 6.496 -4.012 1.00 0.00 O ATOM 649 CB PHE A 46 -4.630 5.631 -3.154 1.00 0.00 C ATOM 650 CG PHE A 46 -3.826 4.836 -2.166 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.398 4.395 -0.983 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.498 4.530 -2.418 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.660 3.662 -0.072 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.757 3.798 -1.511 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.338 3.365 -0.336 1.00 0.00 C ATOM 0 H PHE A 46 -4.266 3.982 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.348 4.346 -3.029 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.965 6.008 -3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.055 6.499 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.431 4.626 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.037 4.868 -3.334 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.117 3.322 0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.724 3.565 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.759 2.795 0.376 1.00 0.00 H new ATOM 665 N SER A 47 -6.539 5.745 -5.914 1.00 0.00 N ATOM 666 CA SER A 47 -7.349 6.596 -6.779 1.00 0.00 C ATOM 667 C SER A 47 -8.775 6.710 -6.247 1.00 0.00 C ATOM 668 O SER A 47 -9.257 7.794 -5.918 1.00 0.00 O ATOM 669 CB SER A 47 -7.366 6.039 -8.204 1.00 0.00 C ATOM 670 OG SER A 47 -8.631 6.237 -8.813 1.00 0.00 O ATOM 0 H SER A 47 -5.878 5.146 -6.409 1.00 0.00 H new ATOM 0 HA SER A 47 -6.904 7.591 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.593 6.526 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.130 4.975 -8.185 1.00 0.00 H new ATOM 0 HG SER A 47 -8.616 5.874 -9.723 1.00 0.00 H new ATOM 676 N PRO A 48 -9.467 5.564 -6.163 1.00 0.00 N ATOM 677 CA PRO A 48 -10.848 5.508 -5.673 1.00 0.00 C ATOM 678 C PRO A 48 -10.943 5.791 -4.177 1.00 0.00 C ATOM 679 O PRO A 48 -11.757 6.605 -3.740 1.00 0.00 O ATOM 680 CB PRO A 48 -11.272 4.068 -5.973 1.00 0.00 C ATOM 681 CG PRO A 48 -9.999 3.296 -6.000 1.00 0.00 C ATOM 682 CD PRO A 48 -8.956 4.236 -6.540 1.00 0.00 C ATOM 0 HA PRO A 48 -11.480 6.260 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.950 3.687 -5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.796 4.000 -6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.732 2.949 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.092 2.412 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.976 4.043 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.848 4.139 -7.620 1.00 0.00 H new ATOM 690 N PHE A 49 -10.107 5.113 -3.397 1.00 0.00 N ATOM 691 CA PHE A 49 -10.098 5.292 -1.950 1.00 0.00 C ATOM 692 C PHE A 49 -10.225 6.767 -1.583 1.00 0.00 C ATOM 693 O PHE A 49 -10.677 7.110 -0.491 1.00 0.00 O ATOM 694 CB PHE A 49 -8.814 4.715 -1.352 1.00 0.00 C ATOM 695 CG PHE A 49 -8.907 3.251 -1.029 1.00 0.00 C ATOM 696 CD1 PHE A 49 -9.847 2.787 -0.122 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.056 2.339 -1.633 1.00 0.00 C ATOM 698 CE1 PHE A 49 -9.936 1.440 0.176 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.141 0.992 -1.338 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.081 0.542 -0.431 1.00 0.00 C ATOM 0 H PHE A 49 -9.428 4.435 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.955 4.759 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.994 4.873 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.567 5.264 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.517 3.485 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.318 2.685 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.674 1.090 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.473 0.291 -1.816 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.147 -0.510 -0.197 1.00 0.00 H new ATOM 710 N GLY A 50 -9.822 7.637 -2.504 1.00 0.00 N ATOM 711 CA GLY A 50 -9.898 9.066 -2.260 1.00 0.00 C ATOM 712 C GLY A 50 -8.931 9.854 -3.121 1.00 0.00 C ATOM 713 O GLY A 50 -8.238 9.286 -3.965 1.00 0.00 O ATOM 0 H GLY A 50 -9.444 7.378 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.914 9.411 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.688 9.264 -1.209 1.00 0.00 H new ATOM 717 N GLN A 51 -8.887 11.166 -2.910 1.00 0.00 N ATOM 718 CA GLN A 51 -7.999 12.032 -3.677 1.00 0.00 C ATOM 719 C GLN A 51 -6.551 11.861 -3.230 1.00 0.00 C ATOM 720 O GLN A 51 -6.281 11.599 -2.057 1.00 0.00 O ATOM 721 CB GLN A 51 -8.423 13.494 -3.524 1.00 0.00 C ATOM 722 CG GLN A 51 -8.374 14.281 -4.824 1.00 0.00 C ATOM 723 CD GLN A 51 -9.543 15.234 -4.974 1.00 0.00 C ATOM 724 OE1 GLN A 51 -10.326 15.425 -4.043 1.00 0.00 O ATOM 725 NE2 GLN A 51 -9.667 15.839 -6.149 1.00 0.00 N ATOM 0 H GLN A 51 -9.455 11.652 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 51 -8.071 11.747 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.437 13.530 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.775 13.977 -2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.442 14.845 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.366 13.587 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.995 15.651 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.434 16.492 -6.308 1.00 0.00 H new ATOM 734 N ILE A 52 -5.626 12.009 -4.171 1.00 0.00 N ATOM 735 CA ILE A 52 -4.206 11.872 -3.873 1.00 0.00 C ATOM 736 C ILE A 52 -3.448 13.153 -4.202 1.00 0.00 C ATOM 737 O ILE A 52 -3.677 13.773 -5.240 1.00 0.00 O ATOM 738 CB ILE A 52 -3.577 10.703 -4.655 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.309 9.397 -4.339 1.00 0.00 C ATOM 740 CG2 ILE A 52 -2.097 10.580 -4.326 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.935 8.256 -5.260 1.00 0.00 C ATOM 0 H ILE A 52 -5.834 12.224 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.127 11.670 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.676 10.904 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.093 9.109 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.384 9.568 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.667 9.750 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.586 11.504 -4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.976 10.398 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.492 7.363 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.177 8.524 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.866 8.058 -5.179 1.00 0.00 H new ATOM 753 N MET A 53 -2.544 13.545 -3.310 1.00 0.00 N ATOM 754 CA MET A 53 -1.750 14.753 -3.506 1.00 0.00 C ATOM 755 C MET A 53 -0.384 14.415 -4.094 1.00 0.00 C ATOM 756 O MET A 53 -0.036 14.873 -5.182 1.00 0.00 O ATOM 757 CB MET A 53 -1.579 15.497 -2.181 1.00 0.00 C ATOM 758 CG MET A 53 -2.826 16.244 -1.737 1.00 0.00 C ATOM 759 SD MET A 53 -3.142 17.718 -2.727 1.00 0.00 S ATOM 760 CE MET A 53 -4.848 17.447 -3.202 1.00 0.00 C ATOM 0 H MET A 53 -2.343 13.044 -2.445 1.00 0.00 H new ATOM 0 HA MET A 53 -2.279 15.396 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.298 14.783 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.756 16.205 -2.275 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.686 15.577 -1.800 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.720 16.530 -0.690 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.157 18.220 -3.906 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.944 16.469 -3.673 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.483 17.487 -2.317 1.00 0.00 H new ATOM 770 N GLU A 54 0.386 13.611 -3.366 1.00 0.00 N ATOM 771 CA GLU A 54 1.715 13.215 -3.817 1.00 0.00 C ATOM 772 C GLU A 54 1.949 11.725 -3.579 1.00 0.00 C ATOM 773 O GLU A 54 1.450 11.156 -2.607 1.00 0.00 O ATOM 774 CB GLU A 54 2.789 14.031 -3.093 1.00 0.00 C ATOM 775 CG GLU A 54 4.057 14.226 -3.906 1.00 0.00 C ATOM 776 CD GLU A 54 4.500 15.674 -3.959 1.00 0.00 C ATOM 777 OE1 GLU A 54 3.679 16.532 -4.349 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.667 15.952 -3.612 1.00 0.00 O ATOM 0 H GLU A 54 0.113 13.222 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 54 1.780 13.410 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.379 15.008 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.041 13.534 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.856 13.621 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.893 13.863 -4.921 1.00 0.00 H new ATOM 785 N ILE A 55 2.706 11.101 -4.473 1.00 0.00 N ATOM 786 CA ILE A 55 3.006 9.679 -4.361 1.00 0.00 C ATOM 787 C ILE A 55 4.505 9.423 -4.464 1.00 0.00 C ATOM 788 O ILE A 55 5.188 10.005 -5.306 1.00 0.00 O ATOM 789 CB ILE A 55 2.281 8.863 -5.449 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.767 8.906 -5.226 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.781 7.427 -5.455 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.006 7.995 -6.152 1.00 0.00 C ATOM 0 H ILE A 55 3.124 11.557 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 55 2.652 9.359 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 55 2.498 9.306 -6.421 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.552 8.629 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.417 9.929 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.260 6.863 -6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.852 7.415 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.590 6.971 -4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.071 8.077 -5.937 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.179 8.285 -7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.316 6.965 -6.001 1.00 0.00 H new ATOM 804 N ARG A 56 5.011 8.546 -3.603 1.00 0.00 N ATOM 805 CA ARG A 56 6.430 8.211 -3.597 1.00 0.00 C ATOM 806 C ARG A 56 6.633 6.705 -3.469 1.00 0.00 C ATOM 807 O ARG A 56 6.483 6.137 -2.387 1.00 0.00 O ATOM 808 CB ARG A 56 7.141 8.931 -2.450 1.00 0.00 C ATOM 809 CG ARG A 56 8.322 9.775 -2.900 1.00 0.00 C ATOM 810 CD ARG A 56 9.384 8.927 -3.582 1.00 0.00 C ATOM 811 NE ARG A 56 10.318 9.740 -4.358 1.00 0.00 N ATOM 812 CZ ARG A 56 10.047 10.219 -5.567 1.00 0.00 C ATOM 813 NH1 ARG A 56 8.875 9.969 -6.135 1.00 0.00 N ATOM 814 NH2 ARG A 56 10.949 10.950 -6.209 1.00 0.00 N ATOM 0 H ARG A 56 4.459 8.054 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 56 6.858 8.539 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.425 9.570 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.488 8.192 -1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.977 10.549 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.757 10.282 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.934 8.361 -2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.903 8.202 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 56 11.228 9.951 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.179 9.408 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.669 10.338 -7.063 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.851 11.144 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.740 11.318 -7.137 1.00 0.00 H new ATOM 828 N VAL A 57 6.974 6.062 -4.582 1.00 0.00 N ATOM 829 CA VAL A 57 7.198 4.621 -4.594 1.00 0.00 C ATOM 830 C VAL A 57 8.679 4.294 -4.436 1.00 0.00 C ATOM 831 O VAL A 57 9.522 4.809 -5.171 1.00 0.00 O ATOM 832 CB VAL A 57 6.680 3.984 -5.897 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.267 4.459 -6.199 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.617 4.300 -7.054 1.00 0.00 C ATOM 0 H VAL A 57 7.101 6.516 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 57 6.645 4.207 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 57 6.653 2.902 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.918 3.998 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.605 4.176 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.264 5.543 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.236 3.842 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.678 5.380 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.609 3.905 -6.837 1.00 0.00 H new ATOM 844 N PHE A 58 8.988 3.434 -3.471 1.00 0.00 N ATOM 845 CA PHE A 58 10.368 3.037 -3.215 1.00 0.00 C ATOM 846 C PHE A 58 10.564 1.546 -3.474 1.00 0.00 C ATOM 847 O PHE A 58 10.520 0.721 -2.561 1.00 0.00 O ATOM 848 CB PHE A 58 10.758 3.372 -1.773 1.00 0.00 C ATOM 849 CG PHE A 58 10.948 4.841 -1.529 1.00 0.00 C ATOM 850 CD1 PHE A 58 12.163 5.450 -1.800 1.00 0.00 C ATOM 851 CD2 PHE A 58 9.913 5.614 -1.028 1.00 0.00 C ATOM 852 CE1 PHE A 58 12.342 6.803 -1.577 1.00 0.00 C ATOM 853 CE2 PHE A 58 10.085 6.967 -0.804 1.00 0.00 C ATOM 854 CZ PHE A 58 11.302 7.561 -1.076 1.00 0.00 C ATOM 0 H PHE A 58 8.302 2.999 -2.854 1.00 0.00 H new ATOM 0 HA PHE A 58 11.011 3.593 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.987 2.997 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.681 2.848 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.980 4.861 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.961 5.154 -0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 58 13.293 7.266 -1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.269 7.559 -0.417 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.440 8.617 -0.897 1.00 0.00 H new ATOM 864 N PRO A 59 10.782 1.191 -4.748 1.00 0.00 N ATOM 865 CA PRO A 59 10.986 -0.201 -5.158 1.00 0.00 C ATOM 866 C PRO A 59 12.320 -0.759 -4.672 1.00 0.00 C ATOM 867 O PRO A 59 12.638 -1.924 -4.904 1.00 0.00 O ATOM 868 CB PRO A 59 10.963 -0.128 -6.687 1.00 0.00 C ATOM 869 CG PRO A 59 11.376 1.267 -7.005 1.00 0.00 C ATOM 870 CD PRO A 59 10.846 2.121 -5.888 1.00 0.00 C ATOM 0 HA PRO A 59 10.230 -0.864 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.646 -0.854 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.970 -0.346 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.461 1.346 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.970 1.585 -7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.503 2.965 -5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.865 2.532 -6.127 1.00 0.00 H new ATOM 878 N GLU A 60 13.096 0.083 -3.995 1.00 0.00 N ATOM 879 CA GLU A 60 14.396 -0.327 -3.476 1.00 0.00 C ATOM 880 C GLU A 60 14.283 -0.780 -2.024 1.00 0.00 C ATOM 881 O GLU A 60 15.011 -1.671 -1.580 1.00 0.00 O ATOM 882 CB GLU A 60 15.399 0.822 -3.586 1.00 0.00 C ATOM 883 CG GLU A 60 16.794 0.461 -3.101 1.00 0.00 C ATOM 884 CD GLU A 60 17.767 0.231 -4.242 1.00 0.00 C ATOM 885 OE1 GLU A 60 17.381 -0.438 -5.223 1.00 0.00 O ATOM 886 OE2 GLU A 60 18.912 0.720 -4.152 1.00 0.00 O ATOM 0 H GLU A 60 12.847 1.051 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 60 14.749 -1.167 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.457 1.144 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.031 1.671 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.171 1.260 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.740 -0.438 -2.488 1.00 0.00 H new ATOM 893 N LYS A 61 13.367 -0.163 -1.287 1.00 0.00 N ATOM 894 CA LYS A 61 13.157 -0.502 0.116 1.00 0.00 C ATOM 895 C LYS A 61 11.930 -1.393 0.282 1.00 0.00 C ATOM 896 O LYS A 61 11.895 -2.262 1.153 1.00 0.00 O ATOM 897 CB LYS A 61 12.993 0.771 0.951 1.00 0.00 C ATOM 898 CG LYS A 61 14.259 1.605 1.041 1.00 0.00 C ATOM 899 CD LYS A 61 14.430 2.493 -0.180 1.00 0.00 C ATOM 900 CE LYS A 61 14.668 3.942 0.214 1.00 0.00 C ATOM 901 NZ LYS A 61 16.115 4.295 0.182 1.00 0.00 N ATOM 0 H LYS A 61 12.757 0.575 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 61 14.032 -1.049 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.197 1.379 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.676 0.497 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.226 2.222 1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.123 0.947 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.269 2.135 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.541 2.427 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.119 4.597 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.274 4.116 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.236 5.291 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.635 3.687 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.486 4.154 -0.779 1.00 0.00 H new ATOM 915 N GLY A 62 10.924 -1.172 -0.559 1.00 0.00 N ATOM 916 CA GLY A 62 9.710 -1.964 -0.489 1.00 0.00 C ATOM 917 C GLY A 62 8.581 -1.233 0.211 1.00 0.00 C ATOM 918 O GLY A 62 7.781 -1.845 0.918 1.00 0.00 O ATOM 0 H GLY A 62 10.928 -0.458 -1.288 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.395 -2.231 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.917 -2.896 0.038 1.00 0.00 H new ATOM 922 N TYR A 63 8.517 0.080 0.015 1.00 0.00 N ATOM 923 CA TYR A 63 7.480 0.896 0.636 1.00 0.00 C ATOM 924 C TYR A 63 7.103 2.072 -0.260 1.00 0.00 C ATOM 925 O TYR A 63 7.859 2.453 -1.154 1.00 0.00 O ATOM 926 CB TYR A 63 7.952 1.407 1.997 1.00 0.00 C ATOM 927 CG TYR A 63 8.821 2.641 1.913 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.262 3.894 1.690 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.200 2.556 2.056 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.052 5.025 1.611 1.00 0.00 C ATOM 931 CE2 TYR A 63 10.998 3.681 1.980 1.00 0.00 C ATOM 932 CZ TYR A 63 10.420 4.913 1.757 1.00 0.00 C ATOM 933 OH TYR A 63 11.210 6.037 1.680 1.00 0.00 O ATOM 0 H TYR A 63 9.171 0.602 -0.569 1.00 0.00 H new ATOM 0 HA TYR A 63 6.597 0.273 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.081 1.628 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.507 0.615 2.500 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.192 3.985 1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.657 1.593 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.602 5.991 1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.069 3.596 2.095 1.00 0.00 H new ATOM 0 HH TYR A 63 11.283 6.322 0.745 1.00 0.00 H new ATOM 943 N SER A 64 5.930 2.642 -0.012 1.00 0.00 N ATOM 944 CA SER A 64 5.449 3.774 -0.796 1.00 0.00 C ATOM 945 C SER A 64 4.734 4.787 0.092 1.00 0.00 C ATOM 946 O SER A 64 4.224 4.444 1.158 1.00 0.00 O ATOM 947 CB SER A 64 4.506 3.293 -1.901 1.00 0.00 C ATOM 948 OG SER A 64 4.207 4.338 -2.809 1.00 0.00 O ATOM 0 H SER A 64 5.294 2.339 0.726 1.00 0.00 H new ATOM 0 HA SER A 64 6.312 4.261 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.964 2.462 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.584 2.917 -1.458 1.00 0.00 H new ATOM 0 HG SER A 64 4.891 5.037 -2.740 1.00 0.00 H new ATOM 954 N PHE A 65 4.702 6.039 -0.355 1.00 0.00 N ATOM 955 CA PHE A 65 4.052 7.103 0.400 1.00 0.00 C ATOM 956 C PHE A 65 2.872 7.679 -0.380 1.00 0.00 C ATOM 957 O PHE A 65 2.953 7.880 -1.591 1.00 0.00 O ATOM 958 CB PHE A 65 5.053 8.213 0.724 1.00 0.00 C ATOM 959 CG PHE A 65 5.799 7.992 2.008 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.115 7.764 3.192 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.184 8.012 2.033 1.00 0.00 C ATOM 962 CE1 PHE A 65 5.798 7.560 4.375 1.00 0.00 C ATOM 963 CE2 PHE A 65 7.872 7.807 3.213 1.00 0.00 C ATOM 964 CZ PHE A 65 7.178 7.582 4.387 1.00 0.00 C ATOM 0 H PHE A 65 5.119 6.341 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 65 3.678 6.678 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.769 8.295 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.523 9.164 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.035 7.746 3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.732 8.190 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.253 7.383 5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.952 7.823 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.714 7.424 5.311 1.00 0.00 H new ATOM 974 N VAL A 66 1.776 7.940 0.326 1.00 0.00 N ATOM 975 CA VAL A 66 0.579 8.493 -0.298 1.00 0.00 C ATOM 976 C VAL A 66 -0.155 9.430 0.654 1.00 0.00 C ATOM 977 O VAL A 66 -0.822 8.985 1.588 1.00 0.00 O ATOM 978 CB VAL A 66 -0.385 7.378 -0.747 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.621 7.974 -1.404 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.318 6.415 -1.691 1.00 0.00 C ATOM 0 H VAL A 66 1.692 7.778 1.329 1.00 0.00 H new ATOM 0 HA VAL A 66 0.908 9.054 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.704 6.820 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.290 7.172 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.135 8.621 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.324 8.557 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.377 5.634 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.667 6.957 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.169 5.963 -1.182 1.00 0.00 H new ATOM 990 N ARG A 67 -0.026 10.731 0.413 1.00 0.00 N ATOM 991 CA ARG A 67 -0.677 11.732 1.250 1.00 0.00 C ATOM 992 C ARG A 67 -2.045 12.102 0.689 1.00 0.00 C ATOM 993 O ARG A 67 -2.192 12.350 -0.509 1.00 0.00 O ATOM 994 CB ARG A 67 0.198 12.982 1.358 1.00 0.00 C ATOM 995 CG ARG A 67 1.211 12.921 2.491 1.00 0.00 C ATOM 996 CD ARG A 67 2.516 12.286 2.037 1.00 0.00 C ATOM 997 NE ARG A 67 3.159 13.055 0.974 1.00 0.00 N ATOM 998 CZ ARG A 67 3.902 14.134 1.196 1.00 0.00 C ATOM 999 NH1 ARG A 67 4.095 14.568 2.433 1.00 0.00 N ATOM 1000 NH2 ARG A 67 4.454 14.781 0.177 1.00 0.00 N ATOM 0 H ARG A 67 0.523 11.116 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.815 11.306 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.727 13.127 0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.443 13.852 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.404 13.927 2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.796 12.349 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.194 12.205 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.323 11.273 1.685 1.00 0.00 H new ATOM 0 HE ARG A 67 3.031 12.747 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.673 14.073 3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.666 15.397 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.308 14.450 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.024 15.609 0.348 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.047 12.138 1.561 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.406 12.477 1.154 1.00 0.00 C ATOM 1016 C PHE A 68 -4.748 13.912 1.543 1.00 0.00 C ATOM 1017 O PHE A 68 -4.090 14.509 2.395 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.407 11.511 1.790 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.610 10.251 0.998 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.767 9.165 1.172 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.643 10.151 0.080 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.950 8.003 0.445 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.831 8.993 -0.649 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.983 7.917 -0.467 1.00 0.00 C ATOM 0 H PHE A 68 -2.943 11.936 2.555 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.467 12.389 0.069 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.063 11.250 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.366 12.017 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.957 9.227 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.309 10.988 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.286 7.164 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.640 8.928 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.128 7.011 -1.037 1.00 0.00 H new ATOM 1034 N SER A 69 -5.782 14.459 0.912 1.00 0.00 N ATOM 1035 CA SER A 69 -6.210 15.826 1.188 1.00 0.00 C ATOM 1036 C SER A 69 -7.004 15.893 2.489 1.00 0.00 C ATOM 1037 O SER A 69 -7.286 16.977 3.003 1.00 0.00 O ATOM 1038 CB SER A 69 -7.057 16.361 0.033 1.00 0.00 C ATOM 1039 OG SER A 69 -7.096 17.777 0.041 1.00 0.00 O ATOM 0 H SER A 69 -6.339 13.977 0.206 1.00 0.00 H new ATOM 0 HA SER A 69 -5.319 16.446 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.648 16.011 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.070 15.966 0.108 1.00 0.00 H new ATOM 0 HG SER A 69 -7.156 18.097 0.965 1.00 0.00 H new ATOM 1045 N THR A 70 -7.361 14.728 3.019 1.00 0.00 N ATOM 1046 CA THR A 70 -8.124 14.654 4.259 1.00 0.00 C ATOM 1047 C THR A 70 -7.746 13.415 5.063 1.00 0.00 C ATOM 1048 O THR A 70 -7.148 12.477 4.533 1.00 0.00 O ATOM 1049 CB THR A 70 -9.640 14.633 3.986 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.967 13.537 3.124 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.093 15.938 3.351 1.00 0.00 C ATOM 0 H THR A 70 -7.134 13.822 2.609 1.00 0.00 H new ATOM 0 HA THR A 70 -7.879 15.546 4.835 1.00 0.00 H new ATOM 0 HB THR A 70 -10.157 14.512 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.933 13.529 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.167 15.900 3.167 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.869 16.767 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.569 16.085 2.407 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.100 13.415 6.344 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.799 12.289 7.221 1.00 0.00 C ATOM 1061 C HIS A 71 -8.753 11.127 6.960 1.00 0.00 C ATOM 1062 O HIS A 71 -8.378 9.963 7.093 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.888 12.718 8.685 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.181 11.790 9.626 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.818 11.823 9.831 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.657 10.803 10.418 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.486 10.893 10.709 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.583 10.260 11.082 1.00 0.00 N ATOM 0 H HIS A 71 -8.596 14.182 6.798 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.783 11.956 7.009 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.466 13.718 8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.937 12.784 8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.689 10.498 10.511 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.487 10.686 11.062 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.626 9.493 11.753 1.00 0.00 H new ATOM 1076 N GLU A 72 -9.987 11.452 6.589 1.00 0.00 N ATOM 1077 CA GLU A 72 -10.994 10.435 6.312 1.00 0.00 C ATOM 1078 C GLU A 72 -10.587 9.579 5.116 1.00 0.00 C ATOM 1079 O GLU A 72 -10.303 8.390 5.259 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.352 11.088 6.047 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.163 11.339 7.306 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.100 12.524 7.171 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -13.699 13.529 6.549 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.234 12.445 7.689 1.00 0.00 O ATOM 0 H GLU A 72 -10.313 12.411 6.473 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.074 9.791 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.196 12.035 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.927 10.451 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.743 10.447 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.485 11.510 8.142 1.00 0.00 H new ATOM 1091 N SER A 73 -10.563 10.193 3.937 1.00 0.00 N ATOM 1092 CA SER A 73 -10.196 9.487 2.715 1.00 0.00 C ATOM 1093 C SER A 73 -9.072 8.489 2.981 1.00 0.00 C ATOM 1094 O SER A 73 -9.155 7.325 2.589 1.00 0.00 O ATOM 1095 CB SER A 73 -9.764 10.482 1.636 1.00 0.00 C ATOM 1096 OG SER A 73 -8.858 11.438 2.158 1.00 0.00 O ATOM 0 H SER A 73 -10.793 11.177 3.802 1.00 0.00 H new ATOM 0 HA SER A 73 -11.071 8.939 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.297 9.947 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 73 -10.640 10.989 1.233 1.00 0.00 H new ATOM 0 HG SER A 73 -9.331 12.035 2.775 1.00 0.00 H new ATOM 1102 N ALA A 74 -8.022 8.953 3.650 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.884 8.102 3.971 1.00 0.00 C ATOM 1104 C ALA A 74 -7.307 6.922 4.839 1.00 0.00 C ATOM 1105 O ALA A 74 -7.112 5.765 4.466 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.801 8.912 4.671 1.00 0.00 C ATOM 0 H ALA A 74 -7.936 9.914 3.980 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.483 7.707 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.956 8.264 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.469 9.718 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.201 9.334 5.593 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.886 7.221 5.995 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.338 6.184 6.915 1.00 0.00 C ATOM 1114 C ALA A 75 -9.173 5.134 6.190 1.00 0.00 C ATOM 1115 O ALA A 75 -9.185 3.963 6.572 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.136 6.800 8.055 1.00 0.00 C ATOM 0 H ALA A 75 -8.054 8.174 6.318 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.458 5.690 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.467 6.014 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.509 7.508 8.597 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.005 7.320 7.651 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.870 5.559 5.142 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.708 4.655 4.362 1.00 0.00 C ATOM 1124 C HIS A 76 -9.855 3.663 3.578 1.00 0.00 C ATOM 1125 O HIS A 76 -10.243 2.511 3.386 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.600 5.448 3.406 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.931 5.809 3.988 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.720 4.913 4.676 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.611 6.980 3.981 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -14.829 5.515 5.068 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.787 6.770 4.659 1.00 0.00 N ATOM 0 H HIS A 76 -9.871 6.524 4.813 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.338 4.096 5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.082 6.361 3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.756 4.864 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.289 7.906 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.632 5.059 5.627 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.511 7.470 4.820 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.691 4.120 3.127 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.781 3.272 2.365 1.00 0.00 C ATOM 1141 C ALA A 77 -6.953 2.386 3.288 1.00 0.00 C ATOM 1142 O ALA A 77 -6.720 1.214 2.994 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.873 4.125 1.492 1.00 0.00 C ATOM 0 H ALA A 77 -8.356 5.072 3.276 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.378 2.623 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.199 3.480 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.479 4.710 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.290 4.797 2.121 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.509 2.954 4.405 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.707 2.215 5.370 1.00 0.00 C ATOM 1151 C ILE A 78 -6.494 1.052 5.965 1.00 0.00 C ATOM 1152 O ILE A 78 -6.012 -0.080 6.007 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.219 3.126 6.512 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.239 4.172 5.977 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.571 2.298 7.611 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -3.981 5.307 6.942 1.00 0.00 C ATOM 0 H ILE A 78 -6.692 3.924 4.663 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.843 1.828 4.830 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.079 3.645 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.293 3.685 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.629 4.580 5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.231 2.957 8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.297 1.589 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.719 1.754 7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.277 6.010 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.918 5.820 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.561 4.910 7.866 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.709 1.338 6.419 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.566 0.315 7.007 1.00 0.00 C ATOM 1170 C VAL A 79 -8.679 -0.900 6.093 1.00 0.00 C ATOM 1171 O VAL A 79 -8.508 -2.037 6.530 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.977 0.862 7.293 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.967 1.745 8.532 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.507 1.626 6.089 1.00 0.00 C ATOM 0 H VAL A 79 -8.123 2.270 6.391 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.103 0.016 7.947 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.642 0.019 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.973 2.122 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.633 1.163 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.288 2.583 8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.505 2.005 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.842 2.461 5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.554 0.960 5.227 1.00 0.00 H new ATOM 1184 N SER A 80 -8.969 -0.650 4.820 1.00 0.00 N ATOM 1185 CA SER A 80 -9.108 -1.724 3.843 1.00 0.00 C ATOM 1186 C SER A 80 -7.741 -2.249 3.414 1.00 0.00 C ATOM 1187 O SER A 80 -7.380 -3.388 3.710 1.00 0.00 O ATOM 1188 CB SER A 80 -9.886 -1.233 2.621 1.00 0.00 C ATOM 1189 OG SER A 80 -10.617 -2.289 2.023 1.00 0.00 O ATOM 0 H SER A 80 -9.112 0.286 4.441 1.00 0.00 H new ATOM 0 HA SER A 80 -9.659 -2.539 4.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.568 -0.436 2.917 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.195 -0.807 1.893 1.00 0.00 H new ATOM 0 HG SER A 80 -11.107 -1.949 1.245 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.986 -1.409 2.713 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.658 -1.786 2.243 1.00 0.00 C ATOM 1197 C VAL A 81 -4.887 -2.540 3.322 1.00 0.00 C ATOM 1198 O VAL A 81 -4.049 -3.388 3.021 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.844 -0.552 1.813 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.434 -0.956 1.411 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.543 0.176 0.675 1.00 0.00 C ATOM 0 H VAL A 81 -7.271 -0.463 2.458 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.800 -2.437 1.380 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.773 0.129 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.874 -0.071 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.936 -1.430 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.480 -1.657 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.954 1.046 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.646 -0.495 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.531 0.500 1.003 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.177 -2.223 4.579 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.511 -2.870 5.704 1.00 0.00 C ATOM 1213 C ASN A 82 -4.821 -4.364 5.734 1.00 0.00 C ATOM 1214 O ASN A 82 -5.844 -4.785 6.272 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.941 -2.221 7.021 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.550 -3.051 8.229 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -3.705 -3.941 8.137 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -5.165 -2.761 9.369 1.00 0.00 N ATOM 0 H ASN A 82 -5.869 -1.522 4.845 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.436 -2.743 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.488 -1.233 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.021 -2.077 7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.943 -3.285 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.859 -2.014 9.398 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.930 -5.160 5.151 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.127 -6.598 5.123 1.00 0.00 C ATOM 1227 C GLY A 83 -4.469 -7.109 3.737 1.00 0.00 C ATOM 1228 O GLY A 83 -4.879 -8.258 3.575 1.00 0.00 O ATOM 0 H GLY A 83 -3.076 -4.835 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.222 -7.093 5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.927 -6.866 5.813 1.00 0.00 H new ATOM 1232 N THR A 84 -4.301 -6.253 2.734 1.00 0.00 N ATOM 1233 CA THR A 84 -4.597 -6.622 1.356 1.00 0.00 C ATOM 1234 C THR A 84 -3.357 -7.161 0.652 1.00 0.00 C ATOM 1235 O THR A 84 -2.229 -6.911 1.080 1.00 0.00 O ATOM 1236 CB THR A 84 -5.146 -5.425 0.559 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.160 -4.388 0.488 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.414 -4.882 1.202 1.00 0.00 C ATOM 0 H THR A 84 -3.961 -5.298 2.851 1.00 0.00 H new ATOM 0 HA THR A 84 -5.357 -7.402 1.395 1.00 0.00 H new ATOM 0 HB THR A 84 -5.385 -5.767 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.036 -3.993 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.783 -4.037 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.173 -5.664 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.195 -4.556 2.219 1.00 0.00 H new ATOM 1246 N THR A 85 -3.571 -7.901 -0.431 1.00 0.00 N ATOM 1247 CA THR A 85 -2.470 -8.474 -1.195 1.00 0.00 C ATOM 1248 C THR A 85 -2.469 -7.960 -2.630 1.00 0.00 C ATOM 1249 O THR A 85 -3.343 -8.308 -3.423 1.00 0.00 O ATOM 1250 CB THR A 85 -2.541 -10.013 -1.213 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.901 -10.502 0.084 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.208 -10.612 -1.634 1.00 0.00 C ATOM 0 H THR A 85 -4.497 -8.118 -0.799 1.00 0.00 H new ATOM 0 HA THR A 85 -1.549 -8.165 -0.701 1.00 0.00 H new ATOM 0 HB THR A 85 -3.300 -10.311 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.946 -11.481 0.064 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.283 -11.699 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.951 -10.261 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.433 -10.305 -0.931 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.482 -7.133 -2.956 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.367 -6.573 -4.297 1.00 0.00 C ATOM 1262 C ILE A 86 -0.269 -7.271 -5.093 1.00 0.00 C ATOM 1263 O ILE A 86 0.897 -7.262 -4.700 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.071 -5.061 -4.253 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.251 -4.306 -3.639 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.769 -4.541 -5.649 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -1.916 -2.887 -3.235 1.00 0.00 C ATOM 0 H ILE A 86 -0.750 -6.836 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.327 -6.733 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.194 -4.894 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.072 -4.287 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.604 -4.851 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.562 -3.472 -5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.100 -5.062 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.628 -4.716 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.799 -2.412 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.116 -2.899 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.591 -2.326 -4.111 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.652 -7.875 -6.213 1.00 0.00 N ATOM 1280 CA GLU A 87 0.301 -8.578 -7.064 1.00 0.00 C ATOM 1281 C GLU A 87 0.967 -9.723 -6.306 1.00 0.00 C ATOM 1282 O GLU A 87 2.115 -10.075 -6.575 1.00 0.00 O ATOM 1283 CB GLU A 87 1.365 -7.610 -7.585 1.00 0.00 C ATOM 1284 CG GLU A 87 0.788 -6.391 -8.285 1.00 0.00 C ATOM 1285 CD GLU A 87 0.693 -6.570 -9.787 1.00 0.00 C ATOM 1286 OE1 GLU A 87 1.487 -7.359 -10.342 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -0.175 -5.922 -10.408 1.00 0.00 O ATOM 0 H GLU A 87 -1.614 -7.892 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.246 -8.995 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.984 -7.280 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.019 -8.140 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.204 -6.183 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.409 -5.523 -8.065 1.00 0.00 H new ATOM 1294 N GLY A 88 0.238 -10.298 -5.353 1.00 0.00 N ATOM 1295 CA GLY A 88 0.774 -11.396 -4.570 1.00 0.00 C ATOM 1296 C GLY A 88 1.700 -10.923 -3.468 1.00 0.00 C ATOM 1297 O GLY A 88 2.472 -11.707 -2.915 1.00 0.00 O ATOM 0 H GLY A 88 -0.714 -10.023 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.048 -11.961 -4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.314 -12.077 -5.227 1.00 0.00 H new ATOM 1301 N HIS A 89 1.627 -9.634 -3.147 1.00 0.00 N ATOM 1302 CA HIS A 89 2.467 -9.058 -2.104 1.00 0.00 C ATOM 1303 C HIS A 89 1.618 -8.356 -1.049 1.00 0.00 C ATOM 1304 O HIS A 89 0.877 -7.421 -1.353 1.00 0.00 O ATOM 1305 CB HIS A 89 3.464 -8.070 -2.711 1.00 0.00 C ATOM 1306 CG HIS A 89 4.414 -8.699 -3.682 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.560 -9.363 -3.294 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.383 -8.766 -5.035 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.193 -9.808 -4.365 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.500 -9.459 -5.434 1.00 0.00 N ATOM 0 H HIS A 89 0.995 -8.970 -3.594 1.00 0.00 H new ATOM 0 HA HIS A 89 3.015 -9.869 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.914 -7.276 -3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 89 4.034 -7.603 -1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.622 -8.352 -5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.120 -10.363 -4.366 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.753 -9.670 -6.399 1.00 0.00 H new ATOM 1318 N VAL A 90 1.730 -8.814 0.195 1.00 0.00 N ATOM 1319 CA VAL A 90 0.972 -8.231 1.295 1.00 0.00 C ATOM 1320 C VAL A 90 1.396 -6.789 1.551 1.00 0.00 C ATOM 1321 O VAL A 90 2.540 -6.522 1.919 1.00 0.00 O ATOM 1322 CB VAL A 90 1.150 -9.044 2.592 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.608 -9.052 3.022 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.263 -8.487 3.695 1.00 0.00 C ATOM 0 H VAL A 90 2.338 -9.587 0.465 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.078 -8.252 1.002 1.00 0.00 H new ATOM 0 HB VAL A 90 0.848 -10.073 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.714 -9.631 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.216 -9.502 2.237 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.941 -8.029 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.401 -9.073 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.532 -7.448 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.780 -8.540 3.384 1.00 0.00 H new ATOM 1334 N VAL A 91 0.465 -5.861 1.354 1.00 0.00 N ATOM 1335 CA VAL A 91 0.741 -4.445 1.565 1.00 0.00 C ATOM 1336 C VAL A 91 0.425 -4.030 2.997 1.00 0.00 C ATOM 1337 O VAL A 91 -0.502 -4.554 3.617 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.071 -3.565 0.596 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.362 -3.811 -0.841 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.561 -3.823 0.764 1.00 0.00 C ATOM 0 H VAL A 91 -0.487 -6.064 1.049 1.00 0.00 H new ATOM 0 HA VAL A 91 1.804 -4.298 1.374 1.00 0.00 H new ATOM 0 HB VAL A 91 0.123 -2.519 0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.223 -3.180 -1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.420 -3.571 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.200 -4.858 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.120 -3.193 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.775 -4.871 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.858 -3.590 1.787 1.00 0.00 H new ATOM 1350 N LYS A 92 1.199 -3.085 3.519 1.00 0.00 N ATOM 1351 CA LYS A 92 1.002 -2.597 4.878 1.00 0.00 C ATOM 1352 C LYS A 92 0.675 -1.107 4.880 1.00 0.00 C ATOM 1353 O LYS A 92 1.517 -0.277 4.534 1.00 0.00 O ATOM 1354 CB LYS A 92 2.252 -2.857 5.722 1.00 0.00 C ATOM 1355 CG LYS A 92 2.127 -4.058 6.641 1.00 0.00 C ATOM 1356 CD LYS A 92 3.486 -4.537 7.124 1.00 0.00 C ATOM 1357 CE LYS A 92 3.816 -5.918 6.580 1.00 0.00 C ATOM 1358 NZ LYS A 92 5.249 -6.268 6.787 1.00 0.00 N ATOM 0 H LYS A 92 1.970 -2.641 3.020 1.00 0.00 H new ATOM 0 HA LYS A 92 0.160 -3.136 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.104 -3.005 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.466 -1.972 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.507 -3.798 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.621 -4.868 6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.254 -3.829 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.498 -4.562 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.186 -6.661 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.583 -5.954 5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.434 -7.217 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.850 -5.574 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.465 -6.259 7.804 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.550 -0.775 5.272 1.00 0.00 N ATOM 1373 CA CYS A 93 -0.986 0.616 5.319 1.00 0.00 C ATOM 1374 C CYS A 93 -0.838 1.186 6.726 1.00 0.00 C ATOM 1375 O CYS A 93 -1.415 0.665 7.681 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.442 0.731 4.861 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.647 1.516 3.245 1.00 0.00 S ATOM 0 H CYS A 93 -1.258 -1.449 5.562 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.352 1.192 4.645 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.881 -0.266 4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.001 1.300 5.603 1.00 0.00 H new ATOM 0 HG CYS A 93 -1.601 1.277 2.511 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.059 2.254 6.846 1.00 0.00 N ATOM 1384 CA TYR A 94 0.171 2.891 8.138 1.00 0.00 C ATOM 1385 C TYR A 94 0.032 4.406 8.029 1.00 0.00 C ATOM 1386 O TYR A 94 -0.247 4.940 6.955 1.00 0.00 O ATOM 1387 CB TYR A 94 1.560 2.532 8.668 1.00 0.00 C ATOM 1388 CG TYR A 94 1.762 1.049 8.881 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.838 0.297 9.595 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.877 0.399 8.364 1.00 0.00 C ATOM 1391 CE1 TYR A 94 1.020 -1.059 9.792 1.00 0.00 C ATOM 1392 CE2 TYR A 94 3.066 -0.956 8.555 1.00 0.00 C ATOM 1393 CZ TYR A 94 2.135 -1.679 9.270 1.00 0.00 C ATOM 1394 OH TYR A 94 2.319 -3.030 9.463 1.00 0.00 O ATOM 0 H TYR A 94 0.424 2.698 6.065 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.582 2.523 8.835 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.312 2.896 7.968 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.725 3.052 9.612 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.038 0.780 10.003 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.608 0.963 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.293 -1.629 10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.938 -1.446 8.147 1.00 0.00 H new ATOM 0 HH TYR A 94 1.480 -3.434 9.769 1.00 0.00 H new ATOM 1404 N TRP A 95 0.228 5.093 9.149 1.00 0.00 N ATOM 1405 CA TRP A 95 0.125 6.547 9.181 1.00 0.00 C ATOM 1406 C TRP A 95 1.494 7.194 9.000 1.00 0.00 C ATOM 1407 O TRP A 95 2.168 7.528 9.975 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.499 7.007 10.500 1.00 0.00 C ATOM 1409 CG TRP A 95 -1.997 6.961 10.495 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.798 6.250 11.343 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.873 7.655 9.600 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.118 6.459 11.027 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.191 7.318 9.963 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.671 8.530 8.530 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.300 7.824 9.291 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.774 9.031 7.863 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.074 8.679 8.246 1.00 0.00 C ATOM 0 H TRP A 95 0.459 4.667 10.046 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.516 6.858 8.356 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.126 6.379 11.309 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.174 8.026 10.712 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.445 5.617 12.144 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.915 6.042 11.507 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.672 8.810 8.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.303 7.552 9.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.630 9.706 7.032 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.915 9.090 7.707 1.00 0.00 H new ATOM 1428 N GLY A 96 1.901 7.369 7.746 1.00 0.00 N ATOM 1429 CA GLY A 96 3.188 7.975 7.461 1.00 0.00 C ATOM 1430 C GLY A 96 3.563 9.043 8.471 1.00 0.00 C ATOM 1431 O GLY A 96 3.049 10.161 8.424 1.00 0.00 O ATOM 0 H GLY A 96 1.362 7.102 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.956 7.202 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.166 8.414 6.464 1.00 0.00 H new