USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 952 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 89 HIS : no HE2:sc= -0.671 X(o=0.45,f=0.019) USER MOD Set 1.2: A 110 THR OG1 : rot 84:sc= 1.12 USER MOD Set 2.1: A 65 GLN : amide:sc= -0.185 X(o=-0.35,f=-0.16) USER MOD Set 2.2: A 68 THR OG1 : rot 140:sc= -0.168 USER MOD Single : A 16 SER OG : rot 41:sc= 0.171 USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= 1.19 (180deg=0.854) USER MOD Single : A 26 MET CE :methyl 158:sc= -0.149 (180deg=-0.756) USER MOD Single : A 28 SER OG : rot -120:sc= 0.395 USER MOD Single : A 29 SER OG : rot 94:sc= 1.78 USER MOD Single : A 30 THR OG1 : rot 72:sc= 1.31 USER MOD Single : A 32 THR OG1 : rot 32:sc= 0.207 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.32! C(o=-2.3!,f=-6.6!) USER MOD Single : A 46 SER OG : rot 180:sc=-0.00799 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 76 SER OG : rot 118:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.829 K(o=-0.83,f=-2.8!) USER MOD Single : A 106 SER OG : rot 30:sc= 1.17 USER MOD Single : A 108 ASN : amide:sc= -0.422 K(o=-0.42,f=-6.3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0441 F(o=-1,f=-0.044) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 GLN : amide:sc= 0.355 K(o=0.36,f=-3.2!) USER MOD Single : A 122 MET CE :methyl -165:sc= -1.49 (180deg=-3.66!) USER MOD Single : A 123 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.6!) USER MOD Single : A 124 THR OG1 : rot -140:sc= 0.743 USER MOD Single : A 129 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.65) USER MOD Single : A 132 LYS NZ :NH3+ 142:sc= -1 (180deg=-2.87!) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.991 19.864 8.737 1.00 22.05 N ATOM 215 CA SER A 16 5.980 20.806 9.108 1.00 40.25 C ATOM 216 C SER A 16 4.639 20.106 8.966 1.00 43.33 C ATOM 217 O SER A 16 4.300 19.624 7.888 1.00 62.20 O ATOM 218 CB SER A 16 6.065 22.006 8.176 1.00 1.30 C ATOM 219 OG SER A 16 7.380 22.549 8.192 1.00 23.14 O ATOM 0 HA SER A 16 6.107 21.157 10.132 1.00 40.25 H new ATOM 0 HB2 SER A 16 5.799 21.707 7.162 1.00 1.30 H new ATOM 0 HB3 SER A 16 5.346 22.766 8.483 1.00 1.30 H new ATOM 0 HG SER A 16 8.035 21.820 8.206 1.00 23.14 H new ATOM 225 N VAL A 17 3.911 20.021 10.043 1.00 41.11 N ATOM 226 CA VAL A 17 2.685 19.248 10.077 1.00 0.15 C ATOM 227 C VAL A 17 1.505 20.054 9.534 1.00 53.43 C ATOM 228 O VAL A 17 1.339 21.232 9.858 1.00 65.21 O ATOM 229 CB VAL A 17 2.378 18.755 11.522 1.00 30.24 C ATOM 230 CG1 VAL A 17 1.145 17.864 11.556 1.00 33.33 C ATOM 231 CG2 VAL A 17 3.580 18.022 12.111 1.00 13.24 C ATOM 0 H VAL A 17 4.143 20.481 10.923 1.00 41.11 H new ATOM 0 HA VAL A 17 2.829 18.379 9.435 1.00 0.15 H new ATOM 0 HB VAL A 17 2.173 19.635 12.132 1.00 30.24 H new ATOM 0 HG11 VAL A 17 0.960 17.538 12.579 1.00 33.33 H new ATOM 0 HG12 VAL A 17 0.283 18.422 11.191 1.00 33.33 H new ATOM 0 HG13 VAL A 17 1.308 16.993 10.922 1.00 33.33 H new ATOM 0 HG21 VAL A 17 3.343 17.687 13.121 1.00 13.24 H new ATOM 0 HG22 VAL A 17 3.821 17.160 11.489 1.00 13.24 H new ATOM 0 HG23 VAL A 17 4.436 18.696 12.144 1.00 13.24 H new ATOM 241 N PHE A 18 0.721 19.420 8.691 1.00 32.14 N ATOM 242 CA PHE A 18 -0.465 20.018 8.138 1.00 53.41 C ATOM 243 C PHE A 18 -1.641 19.127 8.473 1.00 72.33 C ATOM 244 O PHE A 18 -1.487 17.901 8.518 1.00 12.53 O ATOM 245 CB PHE A 18 -0.362 20.224 6.598 1.00 32.02 C ATOM 246 CG PHE A 18 -0.370 18.956 5.749 1.00 14.42 C ATOM 247 CD1 PHE A 18 -1.567 18.420 5.282 1.00 23.22 C ATOM 248 CD2 PHE A 18 0.807 18.319 5.410 1.00 0.31 C ATOM 249 CE1 PHE A 18 -1.582 17.282 4.501 1.00 51.21 C ATOM 250 CE2 PHE A 18 0.796 17.176 4.628 1.00 73.32 C ATOM 251 CZ PHE A 18 -0.399 16.659 4.173 1.00 43.12 C ATOM 0 H PHE A 18 0.893 18.467 8.370 1.00 32.14 H new ATOM 0 HA PHE A 18 -0.594 21.009 8.573 1.00 53.41 H new ATOM 0 HB2 PHE A 18 -1.192 20.855 6.280 1.00 32.02 H new ATOM 0 HB3 PHE A 18 0.555 20.773 6.386 1.00 32.02 H new ATOM 0 HD1 PHE A 18 -2.499 18.903 5.535 1.00 23.22 H new ATOM 0 HD2 PHE A 18 1.748 18.717 5.759 1.00 0.31 H new ATOM 0 HE1 PHE A 18 -2.520 16.881 4.148 1.00 51.21 H new ATOM 0 HE2 PHE A 18 1.725 16.688 4.374 1.00 73.32 H new ATOM 0 HZ PHE A 18 -0.407 15.769 3.562 1.00 43.12 H new ATOM 261 N ARG A 19 -2.761 19.703 8.789 1.00 13.13 N ATOM 262 CA ARG A 19 -3.947 18.911 9.023 1.00 42.23 C ATOM 263 C ARG A 19 -4.628 18.598 7.698 1.00 10.24 C ATOM 264 O ARG A 19 -4.709 19.452 6.811 1.00 24.32 O ATOM 265 CB ARG A 19 -4.920 19.585 10.003 1.00 54.43 C ATOM 266 CG ARG A 19 -5.470 20.931 9.567 1.00 21.20 C ATOM 267 CD ARG A 19 -6.426 21.465 10.611 1.00 60.43 C ATOM 268 NE ARG A 19 -6.970 22.776 10.266 1.00 73.14 N ATOM 269 CZ ARG A 19 -7.352 23.697 11.165 1.00 45.23 C ATOM 270 NH1 ARG A 19 -7.251 23.444 12.474 1.00 54.44 N ATOM 271 NH2 ARG A 19 -7.845 24.860 10.757 1.00 50.21 N ATOM 0 H ARG A 19 -2.887 20.710 8.892 1.00 13.13 H new ATOM 0 HA ARG A 19 -3.637 17.978 9.494 1.00 42.23 H new ATOM 0 HB2 ARG A 19 -5.758 18.910 10.175 1.00 54.43 H new ATOM 0 HB3 ARG A 19 -4.412 19.714 10.959 1.00 54.43 H new ATOM 0 HG2 ARG A 19 -4.652 21.636 9.417 1.00 21.20 H new ATOM 0 HG3 ARG A 19 -5.983 20.830 8.611 1.00 21.20 H new ATOM 0 HD2 ARG A 19 -7.247 20.759 10.740 1.00 60.43 H new ATOM 0 HD3 ARG A 19 -5.910 21.532 11.569 1.00 60.43 H new ATOM 0 HE ARG A 19 -7.066 23.007 9.277 1.00 73.14 H new ATOM 0 HH11 ARG A 19 -6.882 22.548 12.793 1.00 54.44 H new ATOM 0 HH12 ARG A 19 -7.542 24.147 13.153 1.00 54.44 H new ATOM 0 HH21 ARG A 19 -7.934 25.055 9.760 1.00 50.21 H new ATOM 0 HH22 ARG A 19 -8.135 25.559 11.441 1.00 50.21 H new ATOM 285 N ALA A 20 -5.068 17.384 7.543 1.00 45.13 N ATOM 286 CA ALA A 20 -5.723 16.973 6.328 1.00 41.33 C ATOM 287 C ALA A 20 -7.210 16.889 6.564 1.00 42.33 C ATOM 288 O ALA A 20 -7.653 16.623 7.686 1.00 25.13 O ATOM 289 CB ALA A 20 -5.176 15.644 5.845 1.00 62.20 C ATOM 0 H ALA A 20 -4.986 16.652 8.248 1.00 45.13 H new ATOM 0 HA ALA A 20 -5.528 17.711 5.550 1.00 41.33 H new ATOM 0 HB1 ALA A 20 -5.685 15.353 4.926 1.00 62.20 H new ATOM 0 HB2 ALA A 20 -4.107 15.739 5.653 1.00 62.20 H new ATOM 0 HB3 ALA A 20 -5.342 14.883 6.608 1.00 62.20 H new ATOM 295 N ASP A 21 -7.976 17.106 5.530 1.00 65.43 N ATOM 296 CA ASP A 21 -9.443 17.121 5.622 1.00 64.12 C ATOM 297 C ASP A 21 -10.021 15.726 5.358 1.00 72.33 C ATOM 298 O ASP A 21 -11.222 15.502 5.423 1.00 41.24 O ATOM 299 CB ASP A 21 -10.006 18.156 4.629 1.00 63.15 C ATOM 300 CG ASP A 21 -11.514 18.346 4.692 1.00 33.25 C ATOM 301 OD1 ASP A 21 -12.017 18.907 5.703 1.00 73.34 O ATOM 302 OD2 ASP A 21 -12.212 17.965 3.725 1.00 41.32 O ATOM 0 H ASP A 21 -7.618 17.280 4.591 1.00 65.43 H new ATOM 0 HA ASP A 21 -9.737 17.407 6.632 1.00 64.12 H new ATOM 0 HB2 ASP A 21 -9.525 19.116 4.815 1.00 63.15 H new ATOM 0 HB3 ASP A 21 -9.734 17.854 3.618 1.00 63.15 H new ATOM 307 N LEU A 22 -9.135 14.769 5.158 1.00 14.43 N ATOM 308 CA LEU A 22 -9.510 13.386 4.827 1.00 63.41 C ATOM 309 C LEU A 22 -10.404 12.700 5.884 1.00 74.33 C ATOM 310 O LEU A 22 -11.076 11.719 5.586 1.00 62.50 O ATOM 311 CB LEU A 22 -8.257 12.532 4.482 1.00 24.54 C ATOM 312 CG LEU A 22 -7.089 12.501 5.504 1.00 50.24 C ATOM 313 CD1 LEU A 22 -7.488 11.850 6.810 1.00 41.23 C ATOM 314 CD2 LEU A 22 -5.895 11.781 4.922 1.00 73.50 C ATOM 0 H LEU A 22 -8.128 14.918 5.218 1.00 14.43 H new ATOM 0 HA LEU A 22 -10.135 13.454 3.936 1.00 63.41 H new ATOM 0 HB2 LEU A 22 -8.587 11.506 4.322 1.00 24.54 H new ATOM 0 HB3 LEU A 22 -7.860 12.891 3.533 1.00 24.54 H new ATOM 0 HG LEU A 22 -6.825 13.537 5.715 1.00 50.24 H new ATOM 0 HD11 LEU A 22 -6.638 11.852 7.492 1.00 41.23 H new ATOM 0 HD12 LEU A 22 -8.313 12.405 7.256 1.00 41.23 H new ATOM 0 HD13 LEU A 22 -7.801 10.823 6.624 1.00 41.23 H new ATOM 0 HD21 LEU A 22 -5.086 11.769 5.652 1.00 73.50 H new ATOM 0 HD22 LEU A 22 -6.174 10.757 4.672 1.00 73.50 H new ATOM 0 HD23 LEU A 22 -5.563 12.297 4.021 1.00 73.50 H new ATOM 326 N LEU A 23 -10.448 13.250 7.102 1.00 30.02 N ATOM 327 CA LEU A 23 -11.224 12.671 8.180 1.00 63.24 C ATOM 328 C LEU A 23 -12.736 12.823 7.940 1.00 71.31 C ATOM 329 O LEU A 23 -13.558 12.268 8.672 1.00 70.34 O ATOM 330 CB LEU A 23 -10.809 13.226 9.564 1.00 53.04 C ATOM 331 CG LEU A 23 -11.192 14.679 9.943 1.00 30.41 C ATOM 332 CD1 LEU A 23 -10.797 14.952 11.383 1.00 2.31 C ATOM 333 CD2 LEU A 23 -10.531 15.704 9.039 1.00 51.05 C ATOM 0 H LEU A 23 -9.948 14.102 7.357 1.00 30.02 H new ATOM 0 HA LEU A 23 -11.001 11.604 8.187 1.00 63.24 H new ATOM 0 HB2 LEU A 23 -11.233 12.567 10.322 1.00 53.04 H new ATOM 0 HB3 LEU A 23 -9.725 13.143 9.639 1.00 53.04 H new ATOM 0 HG LEU A 23 -12.271 14.774 9.819 1.00 30.41 H new ATOM 0 HD11 LEU A 23 -11.067 15.974 11.647 1.00 2.31 H new ATOM 0 HD12 LEU A 23 -11.319 14.257 12.041 1.00 2.31 H new ATOM 0 HD13 LEU A 23 -9.721 14.821 11.496 1.00 2.31 H new ATOM 0 HD21 LEU A 23 -10.831 16.706 9.345 1.00 51.05 H new ATOM 0 HD22 LEU A 23 -9.448 15.610 9.114 1.00 51.05 H new ATOM 0 HD23 LEU A 23 -10.839 15.532 8.008 1.00 51.05 H new ATOM 345 N LYS A 24 -13.090 13.572 6.911 1.00 73.34 N ATOM 346 CA LYS A 24 -14.475 13.729 6.509 1.00 0.54 C ATOM 347 C LYS A 24 -14.884 12.510 5.692 1.00 25.43 C ATOM 348 O LYS A 24 -16.032 12.098 5.685 1.00 35.03 O ATOM 349 CB LYS A 24 -14.634 14.988 5.655 1.00 33.52 C ATOM 350 CG LYS A 24 -14.112 16.258 6.307 1.00 21.24 C ATOM 351 CD LYS A 24 -14.837 16.591 7.593 1.00 34.12 C ATOM 352 CE LYS A 24 -14.253 17.836 8.244 1.00 23.34 C ATOM 353 NZ LYS A 24 -14.172 18.990 7.312 1.00 42.42 N ATOM 0 H LYS A 24 -12.427 14.087 6.332 1.00 73.34 H new ATOM 0 HA LYS A 24 -15.105 13.821 7.394 1.00 0.54 H new ATOM 0 HB2 LYS A 24 -14.113 14.839 4.709 1.00 33.52 H new ATOM 0 HB3 LYS A 24 -15.690 15.122 5.420 1.00 33.52 H new ATOM 0 HG2 LYS A 24 -13.048 16.146 6.513 1.00 21.24 H new ATOM 0 HG3 LYS A 24 -14.216 17.089 5.610 1.00 21.24 H new ATOM 0 HD2 LYS A 24 -15.896 16.747 7.387 1.00 34.12 H new ATOM 0 HD3 LYS A 24 -14.767 15.749 8.282 1.00 34.12 H new ATOM 0 HE2 LYS A 24 -14.864 18.111 9.104 1.00 23.34 H new ATOM 0 HE3 LYS A 24 -13.256 17.609 8.621 1.00 23.34 H new ATOM 0 HZ1 LYS A 24 -14.403 19.866 7.823 1.00 42.42 H new ATOM 0 HZ2 LYS A 24 -13.208 19.058 6.926 1.00 42.42 H new ATOM 0 HZ3 LYS A 24 -14.848 18.855 6.533 1.00 42.42 H new ATOM 367 N GLU A 25 -13.911 11.919 5.032 1.00 25.20 N ATOM 368 CA GLU A 25 -14.145 10.764 4.200 1.00 32.31 C ATOM 369 C GLU A 25 -14.013 9.511 5.079 1.00 53.34 C ATOM 370 O GLU A 25 -14.576 8.453 4.793 1.00 35.42 O ATOM 371 CB GLU A 25 -13.106 10.746 3.078 1.00 72.21 C ATOM 372 CG GLU A 25 -13.617 10.253 1.734 1.00 23.20 C ATOM 373 CD GLU A 25 -14.239 8.881 1.778 1.00 40.32 C ATOM 374 OE1 GLU A 25 -13.518 7.901 2.022 1.00 3.22 O ATOM 375 OE2 GLU A 25 -15.462 8.755 1.511 1.00 24.21 O ATOM 0 H GLU A 25 -12.939 12.227 5.059 1.00 25.20 H new ATOM 0 HA GLU A 25 -15.140 10.793 3.755 1.00 32.31 H new ATOM 0 HB2 GLU A 25 -12.713 11.755 2.952 1.00 72.21 H new ATOM 0 HB3 GLU A 25 -12.272 10.115 3.386 1.00 72.21 H new ATOM 0 HG2 GLU A 25 -14.353 10.962 1.355 1.00 23.20 H new ATOM 0 HG3 GLU A 25 -12.790 10.243 1.024 1.00 23.20 H new ATOM 382 N MET A 26 -13.305 9.676 6.184 1.00 54.01 N ATOM 383 CA MET A 26 -13.049 8.607 7.152 1.00 31.12 C ATOM 384 C MET A 26 -14.357 7.956 7.617 1.00 53.41 C ATOM 385 O MET A 26 -14.520 6.737 7.547 1.00 25.51 O ATOM 386 CB MET A 26 -12.306 9.186 8.357 1.00 33.34 C ATOM 387 CG MET A 26 -11.943 8.176 9.428 1.00 4.25 C ATOM 388 SD MET A 26 -11.237 8.945 10.900 1.00 63.02 S ATOM 389 CE MET A 26 -12.657 9.851 11.508 1.00 42.12 C ATOM 0 H MET A 26 -12.883 10.568 6.443 1.00 54.01 H new ATOM 0 HA MET A 26 -12.442 7.841 6.670 1.00 31.12 H new ATOM 0 HB2 MET A 26 -11.392 9.666 8.006 1.00 33.34 H new ATOM 0 HB3 MET A 26 -12.923 9.964 8.806 1.00 33.34 H new ATOM 0 HG2 MET A 26 -12.834 7.614 9.708 1.00 4.25 H new ATOM 0 HG3 MET A 26 -11.230 7.460 9.020 1.00 4.25 H new ATOM 0 HE1 MET A 26 -12.531 10.053 12.572 1.00 42.12 H new ATOM 0 HE2 MET A 26 -12.746 10.793 10.967 1.00 42.12 H new ATOM 0 HE3 MET A 26 -13.559 9.259 11.356 1.00 42.12 H new ATOM 399 N GLU A 27 -15.311 8.772 8.013 1.00 21.13 N ATOM 400 CA GLU A 27 -16.581 8.265 8.503 1.00 72.11 C ATOM 401 C GLU A 27 -17.553 7.957 7.357 1.00 60.15 C ATOM 402 O GLU A 27 -18.582 7.319 7.554 1.00 20.03 O ATOM 403 CB GLU A 27 -17.164 9.188 9.606 1.00 20.01 C ATOM 404 CG GLU A 27 -17.342 10.668 9.241 1.00 33.40 C ATOM 405 CD GLU A 27 -18.578 10.954 8.423 1.00 34.12 C ATOM 406 OE1 GLU A 27 -19.651 11.194 9.024 1.00 44.40 O ATOM 407 OE2 GLU A 27 -18.509 10.968 7.188 1.00 13.31 O ATOM 0 H GLU A 27 -15.234 9.789 8.006 1.00 21.13 H new ATOM 0 HA GLU A 27 -16.406 7.304 8.986 1.00 72.11 H new ATOM 0 HB2 GLU A 27 -18.135 8.792 9.904 1.00 20.01 H new ATOM 0 HB3 GLU A 27 -16.514 9.128 10.479 1.00 20.01 H new ATOM 0 HG2 GLU A 27 -17.382 11.256 10.158 1.00 33.40 H new ATOM 0 HG3 GLU A 27 -16.466 11.003 8.686 1.00 33.40 H new ATOM 414 N SER A 28 -17.179 8.381 6.170 1.00 61.14 N ATOM 415 CA SER A 28 -17.951 8.162 4.969 1.00 1.20 C ATOM 416 C SER A 28 -17.744 6.725 4.462 1.00 13.13 C ATOM 417 O SER A 28 -18.686 6.059 4.003 1.00 51.13 O ATOM 418 CB SER A 28 -17.536 9.207 3.913 1.00 44.40 C ATOM 419 OG SER A 28 -18.153 9.010 2.654 1.00 50.14 O ATOM 0 H SER A 28 -16.314 8.897 6.011 1.00 61.14 H new ATOM 0 HA SER A 28 -19.014 8.281 5.176 1.00 1.20 H new ATOM 0 HB2 SER A 28 -17.786 10.202 4.280 1.00 44.40 H new ATOM 0 HB3 SER A 28 -16.454 9.176 3.788 1.00 44.40 H new ATOM 0 HG SER A 28 -17.465 8.864 1.972 1.00 50.14 H new ATOM 425 N SER A 29 -16.522 6.244 4.555 1.00 62.34 N ATOM 426 CA SER A 29 -16.218 4.893 4.125 1.00 51.42 C ATOM 427 C SER A 29 -16.448 3.857 5.227 1.00 53.11 C ATOM 428 O SER A 29 -16.576 2.663 4.953 1.00 15.44 O ATOM 429 CB SER A 29 -14.807 4.824 3.575 1.00 2.43 C ATOM 430 OG SER A 29 -14.708 5.624 2.406 1.00 12.53 O ATOM 0 H SER A 29 -15.726 6.765 4.923 1.00 62.34 H new ATOM 0 HA SER A 29 -16.915 4.638 3.327 1.00 51.42 H new ATOM 0 HB2 SER A 29 -14.097 5.171 4.326 1.00 2.43 H new ATOM 0 HB3 SER A 29 -14.547 3.791 3.343 1.00 2.43 H new ATOM 0 HG SER A 29 -14.388 6.518 2.648 1.00 12.53 H new ATOM 436 N THR A 30 -16.522 4.310 6.456 1.00 55.40 N ATOM 437 CA THR A 30 -16.767 3.421 7.561 1.00 42.32 C ATOM 438 C THR A 30 -18.233 2.956 7.530 1.00 24.22 C ATOM 439 O THR A 30 -19.153 3.762 7.670 1.00 34.43 O ATOM 440 CB THR A 30 -16.426 4.112 8.902 1.00 53.15 C ATOM 441 OG1 THR A 30 -15.034 4.512 8.883 1.00 55.33 O ATOM 442 CG2 THR A 30 -16.667 3.177 10.083 1.00 52.35 C ATOM 0 H THR A 30 -16.416 5.291 6.714 1.00 55.40 H new ATOM 0 HA THR A 30 -16.122 2.547 7.470 1.00 42.32 H new ATOM 0 HB THR A 30 -17.073 4.982 9.020 1.00 53.15 H new ATOM 0 HG1 THR A 30 -14.921 5.274 8.278 1.00 55.33 H new ATOM 0 HG21 THR A 30 -16.418 3.692 11.011 1.00 52.35 H new ATOM 0 HG22 THR A 30 -17.715 2.879 10.103 1.00 52.35 H new ATOM 0 HG23 THR A 30 -16.040 2.291 9.980 1.00 52.35 H new ATOM 450 N GLY A 31 -18.425 1.682 7.299 1.00 33.52 N ATOM 451 CA GLY A 31 -19.741 1.121 7.205 1.00 41.53 C ATOM 452 C GLY A 31 -19.678 -0.281 6.666 1.00 22.24 C ATOM 453 O GLY A 31 -20.086 -1.230 7.330 1.00 12.23 O ATOM 0 H GLY A 31 -17.671 1.008 7.171 1.00 33.52 H new ATOM 0 HA2 GLY A 31 -20.213 1.118 8.188 1.00 41.53 H new ATOM 0 HA3 GLY A 31 -20.361 1.739 6.556 1.00 41.53 H new ATOM 457 N THR A 32 -19.143 -0.426 5.479 1.00 5.13 N ATOM 458 CA THR A 32 -19.007 -1.730 4.883 1.00 23.13 C ATOM 459 C THR A 32 -17.538 -2.091 4.720 1.00 34.31 C ATOM 460 O THR A 32 -16.778 -1.353 4.081 1.00 53.02 O ATOM 461 CB THR A 32 -19.706 -1.785 3.501 1.00 12.10 C ATOM 462 OG1 THR A 32 -19.220 -0.721 2.649 1.00 22.21 O ATOM 463 CG2 THR A 32 -21.219 -1.676 3.643 1.00 34.41 C ATOM 0 H THR A 32 -18.795 0.343 4.907 1.00 5.13 H new ATOM 0 HA THR A 32 -19.485 -2.449 5.548 1.00 23.13 H new ATOM 0 HB THR A 32 -19.470 -2.748 3.048 1.00 12.10 H new ATOM 0 HG1 THR A 32 -18.281 -0.535 2.861 1.00 22.21 H new ATOM 0 HG21 THR A 32 -21.681 -1.718 2.657 1.00 34.41 H new ATOM 0 HG22 THR A 32 -21.588 -2.502 4.252 1.00 34.41 H new ATOM 0 HG23 THR A 32 -21.472 -0.731 4.123 1.00 34.41 H new ATOM 471 N ALA A 33 -17.126 -3.169 5.313 1.00 2.12 N ATOM 472 CA ALA A 33 -15.776 -3.642 5.154 1.00 5.20 C ATOM 473 C ALA A 33 -15.804 -5.102 4.736 1.00 14.52 C ATOM 474 O ALA A 33 -16.723 -5.833 5.130 1.00 32.02 O ATOM 475 CB ALA A 33 -14.988 -3.468 6.448 1.00 13.14 C ATOM 0 H ALA A 33 -17.709 -3.747 5.919 1.00 2.12 H new ATOM 0 HA ALA A 33 -15.279 -3.056 4.381 1.00 5.20 H new ATOM 0 HB1 ALA A 33 -13.970 -3.832 6.306 1.00 13.14 H new ATOM 0 HB2 ALA A 33 -14.962 -2.413 6.719 1.00 13.14 H new ATOM 0 HB3 ALA A 33 -15.468 -4.035 7.245 1.00 13.14 H new ATOM 481 N PRO A 34 -14.871 -5.547 3.892 1.00 15.54 N ATOM 482 CA PRO A 34 -14.739 -6.969 3.567 1.00 14.01 C ATOM 483 C PRO A 34 -14.194 -7.707 4.793 1.00 34.44 C ATOM 484 O PRO A 34 -13.555 -7.073 5.657 1.00 51.45 O ATOM 485 CB PRO A 34 -13.690 -6.992 2.435 1.00 72.24 C ATOM 486 CG PRO A 34 -13.556 -5.575 1.986 1.00 64.50 C ATOM 487 CD PRO A 34 -13.878 -4.729 3.178 1.00 1.42 C ATOM 0 HA PRO A 34 -15.679 -7.440 3.280 1.00 14.01 H new ATOM 0 HB2 PRO A 34 -12.737 -7.382 2.791 1.00 72.24 H new ATOM 0 HB3 PRO A 34 -14.011 -7.635 1.615 1.00 72.24 H new ATOM 0 HG2 PRO A 34 -12.547 -5.374 1.627 1.00 64.50 H new ATOM 0 HG3 PRO A 34 -14.236 -5.362 1.162 1.00 64.50 H new ATOM 0 HD2 PRO A 34 -12.996 -4.537 3.789 1.00 1.42 H new ATOM 0 HD3 PRO A 34 -14.283 -3.759 2.889 1.00 1.42 H new ATOM 495 N ALA A 35 -14.435 -9.014 4.899 1.00 12.22 N ATOM 496 CA ALA A 35 -13.924 -9.749 6.042 1.00 30.24 C ATOM 497 C ALA A 35 -12.411 -9.690 5.994 1.00 2.42 C ATOM 498 O ALA A 35 -11.788 -10.071 4.995 1.00 2.31 O ATOM 499 CB ALA A 35 -14.427 -11.187 6.032 1.00 52.03 C ATOM 0 H ALA A 35 -14.965 -9.567 4.226 1.00 12.22 H new ATOM 0 HA ALA A 35 -14.280 -9.301 6.970 1.00 30.24 H new ATOM 0 HB1 ALA A 35 -14.031 -11.717 6.898 1.00 52.03 H new ATOM 0 HB2 ALA A 35 -15.516 -11.192 6.071 1.00 52.03 H new ATOM 0 HB3 ALA A 35 -14.094 -11.682 5.120 1.00 52.03 H new ATOM 505 N SER A 36 -11.830 -9.226 7.053 1.00 44.33 N ATOM 506 CA SER A 36 -10.426 -8.938 7.067 1.00 55.33 C ATOM 507 C SER A 36 -9.609 -10.067 7.708 1.00 44.24 C ATOM 508 O SER A 36 -8.366 -10.103 7.611 1.00 4.12 O ATOM 509 CB SER A 36 -10.227 -7.611 7.785 1.00 43.13 C ATOM 510 OG SER A 36 -11.125 -6.621 7.275 1.00 42.41 O ATOM 0 H SER A 36 -12.311 -9.035 7.932 1.00 44.33 H new ATOM 0 HA SER A 36 -10.058 -8.862 6.044 1.00 55.33 H new ATOM 0 HB2 SER A 36 -10.392 -7.742 8.854 1.00 43.13 H new ATOM 0 HB3 SER A 36 -9.198 -7.275 7.660 1.00 43.13 H new ATOM 0 HG SER A 36 -10.984 -5.775 7.750 1.00 42.41 H new ATOM 516 N THR A 37 -10.304 -10.984 8.327 1.00 74.45 N ATOM 517 CA THR A 37 -9.692 -12.101 8.974 1.00 63.44 C ATOM 518 C THR A 37 -9.180 -13.107 7.919 1.00 21.32 C ATOM 519 O THR A 37 -9.740 -13.218 6.818 1.00 4.32 O ATOM 520 CB THR A 37 -10.693 -12.774 9.959 1.00 52.31 C ATOM 521 OG1 THR A 37 -10.074 -13.859 10.652 1.00 62.32 O ATOM 522 CG2 THR A 37 -11.932 -13.274 9.230 1.00 73.13 C ATOM 0 H THR A 37 -11.322 -10.971 8.394 1.00 74.45 H new ATOM 0 HA THR A 37 -8.838 -11.753 9.555 1.00 63.44 H new ATOM 0 HB THR A 37 -10.996 -12.017 10.682 1.00 52.31 H new ATOM 0 HG1 THR A 37 -10.720 -14.266 11.266 1.00 62.32 H new ATOM 0 HG21 THR A 37 -12.612 -13.739 9.944 1.00 73.13 H new ATOM 0 HG22 THR A 37 -12.432 -12.435 8.746 1.00 73.13 H new ATOM 0 HG23 THR A 37 -11.640 -14.006 8.477 1.00 73.13 H new ATOM 530 N GLY A 38 -8.098 -13.775 8.237 1.00 53.24 N ATOM 531 CA GLY A 38 -7.524 -14.750 7.355 1.00 51.32 C ATOM 532 C GLY A 38 -6.093 -14.420 7.077 1.00 23.44 C ATOM 533 O GLY A 38 -5.319 -15.260 6.629 1.00 51.13 O ATOM 0 H GLY A 38 -7.594 -13.655 9.116 1.00 53.24 H new ATOM 0 HA2 GLY A 38 -7.595 -15.741 7.802 1.00 51.32 H new ATOM 0 HA3 GLY A 38 -8.085 -14.781 6.421 1.00 51.32 H new ATOM 537 N ALA A 39 -5.719 -13.194 7.403 1.00 31.04 N ATOM 538 CA ALA A 39 -4.375 -12.691 7.154 1.00 43.12 C ATOM 539 C ALA A 39 -3.334 -13.464 7.962 1.00 2.53 C ATOM 540 O ALA A 39 -2.179 -13.581 7.564 1.00 44.24 O ATOM 541 CB ALA A 39 -4.302 -11.202 7.458 1.00 51.11 C ATOM 0 H ALA A 39 -6.338 -12.517 7.849 1.00 31.04 H new ATOM 0 HA ALA A 39 -4.148 -12.840 6.098 1.00 43.12 H new ATOM 0 HB1 ALA A 39 -3.291 -10.841 7.267 1.00 51.11 H new ATOM 0 HB2 ALA A 39 -5.005 -10.666 6.821 1.00 51.11 H new ATOM 0 HB3 ALA A 39 -4.557 -11.031 8.504 1.00 51.11 H new ATOM 547 N GLU A 40 -3.778 -14.014 9.064 1.00 53.41 N ATOM 548 CA GLU A 40 -2.945 -14.789 9.973 1.00 22.03 C ATOM 549 C GLU A 40 -2.541 -16.159 9.371 1.00 63.03 C ATOM 550 O GLU A 40 -1.520 -16.740 9.756 1.00 23.45 O ATOM 551 CB GLU A 40 -3.709 -14.981 11.289 1.00 61.14 C ATOM 552 CG GLU A 40 -5.057 -15.672 11.110 1.00 34.14 C ATOM 553 CD GLU A 40 -5.871 -15.727 12.364 1.00 74.32 C ATOM 554 OE1 GLU A 40 -6.646 -14.775 12.626 1.00 72.24 O ATOM 555 OE2 GLU A 40 -5.761 -16.715 13.118 1.00 42.44 O ATOM 0 H GLU A 40 -4.749 -13.939 9.368 1.00 53.41 H new ATOM 0 HA GLU A 40 -2.018 -14.243 10.150 1.00 22.03 H new ATOM 0 HB2 GLU A 40 -3.097 -15.567 11.974 1.00 61.14 H new ATOM 0 HB3 GLU A 40 -3.866 -14.008 11.755 1.00 61.14 H new ATOM 0 HG2 GLU A 40 -5.625 -15.149 10.340 1.00 34.14 H new ATOM 0 HG3 GLU A 40 -4.891 -16.687 10.749 1.00 34.14 H new ATOM 562 N ASN A 41 -3.313 -16.638 8.401 1.00 51.24 N ATOM 563 CA ASN A 41 -3.090 -17.963 7.816 1.00 41.33 C ATOM 564 C ASN A 41 -2.278 -17.835 6.560 1.00 62.22 C ATOM 565 O ASN A 41 -1.751 -18.827 6.042 1.00 41.34 O ATOM 566 CB ASN A 41 -4.421 -18.679 7.473 1.00 10.13 C ATOM 567 CG ASN A 41 -5.294 -19.048 8.669 1.00 73.42 C ATOM 568 OD1 ASN A 41 -5.309 -18.377 9.684 1.00 64.34 O ATOM 569 ND2 ASN A 41 -6.044 -20.104 8.542 1.00 14.33 N ATOM 0 H ASN A 41 -4.101 -16.130 8.000 1.00 51.24 H new ATOM 0 HA ASN A 41 -2.560 -18.558 8.559 1.00 41.33 H new ATOM 0 HB2 ASN A 41 -4.998 -18.037 6.808 1.00 10.13 H new ATOM 0 HB3 ASN A 41 -4.192 -19.589 6.918 1.00 10.13 H new ATOM 0 HD21 ASN A 41 -6.662 -20.385 9.303 1.00 14.33 H new ATOM 0 HD22 ASN A 41 -6.014 -20.650 7.681 1.00 14.33 H new ATOM 576 N LEU A 42 -2.177 -16.592 6.077 1.00 51.43 N ATOM 577 CA LEU A 42 -1.485 -16.261 4.831 1.00 72.21 C ATOM 578 C LEU A 42 -2.052 -17.089 3.657 1.00 22.21 C ATOM 579 O LEU A 42 -1.344 -17.914 3.078 1.00 72.42 O ATOM 580 CB LEU A 42 0.026 -16.486 4.974 1.00 45.02 C ATOM 581 CG LEU A 42 0.769 -15.613 5.993 1.00 32.44 C ATOM 582 CD1 LEU A 42 2.240 -15.992 6.043 1.00 31.30 C ATOM 583 CD2 LEU A 42 0.617 -14.143 5.650 1.00 4.32 C ATOM 0 H LEU A 42 -2.578 -15.780 6.547 1.00 51.43 H new ATOM 0 HA LEU A 42 -1.653 -15.206 4.617 1.00 72.21 H new ATOM 0 HB2 LEU A 42 0.189 -17.530 5.241 1.00 45.02 H new ATOM 0 HB3 LEU A 42 0.485 -16.331 3.998 1.00 45.02 H new ATOM 0 HG LEU A 42 0.330 -15.785 6.976 1.00 32.44 H new ATOM 0 HD11 LEU A 42 2.753 -15.363 6.771 1.00 31.30 H new ATOM 0 HD12 LEU A 42 2.337 -17.038 6.335 1.00 31.30 H new ATOM 0 HD13 LEU A 42 2.687 -15.847 5.059 1.00 31.30 H new ATOM 0 HD21 LEU A 42 1.151 -13.541 6.385 1.00 4.32 H new ATOM 0 HD22 LEU A 42 1.030 -13.956 4.659 1.00 4.32 H new ATOM 0 HD23 LEU A 42 -0.439 -13.874 5.660 1.00 4.32 H new ATOM 595 N PRO A 43 -3.332 -16.846 3.274 1.00 63.40 N ATOM 596 CA PRO A 43 -4.052 -17.669 2.269 1.00 64.13 C ATOM 597 C PRO A 43 -3.338 -17.751 0.923 1.00 23.35 C ATOM 598 O PRO A 43 -3.015 -18.832 0.435 1.00 24.35 O ATOM 599 CB PRO A 43 -5.401 -16.935 2.100 1.00 65.24 C ATOM 600 CG PRO A 43 -5.163 -15.568 2.649 1.00 42.13 C ATOM 601 CD PRO A 43 -4.187 -15.751 3.764 1.00 54.23 C ATOM 0 HA PRO A 43 -4.136 -18.703 2.603 1.00 64.13 H new ATOM 0 HB2 PRO A 43 -5.700 -16.894 1.053 1.00 65.24 H new ATOM 0 HB3 PRO A 43 -6.199 -17.445 2.640 1.00 65.24 H new ATOM 0 HG2 PRO A 43 -4.765 -14.902 1.884 1.00 42.13 H new ATOM 0 HG3 PRO A 43 -6.091 -15.122 3.008 1.00 42.13 H new ATOM 0 HD2 PRO A 43 -3.613 -14.843 3.952 1.00 54.23 H new ATOM 0 HD3 PRO A 43 -4.684 -16.013 4.698 1.00 54.23 H new ATOM 609 N ALA A 44 -3.066 -16.607 0.350 1.00 13.14 N ATOM 610 CA ALA A 44 -2.465 -16.529 -0.961 1.00 64.14 C ATOM 611 C ALA A 44 -0.957 -16.737 -0.904 1.00 23.05 C ATOM 612 O ALA A 44 -0.331 -17.076 -1.891 1.00 43.54 O ATOM 613 CB ALA A 44 -2.800 -15.196 -1.588 1.00 25.31 C ATOM 0 H ALA A 44 -3.254 -15.701 0.778 1.00 13.14 H new ATOM 0 HA ALA A 44 -2.873 -17.331 -1.576 1.00 64.14 H new ATOM 0 HB1 ALA A 44 -2.347 -15.135 -2.578 1.00 25.31 H new ATOM 0 HB2 ALA A 44 -3.882 -15.098 -1.677 1.00 25.31 H new ATOM 0 HB3 ALA A 44 -2.413 -14.392 -0.962 1.00 25.31 H new ATOM 619 N GLY A 45 -0.380 -16.534 0.266 1.00 14.13 N ATOM 620 CA GLY A 45 1.060 -16.668 0.413 1.00 40.10 C ATOM 621 C GLY A 45 1.793 -15.401 -0.001 1.00 65.32 C ATOM 622 O GLY A 45 3.016 -15.305 0.119 1.00 13.45 O ATOM 0 H GLY A 45 -0.877 -16.279 1.119 1.00 14.13 H new ATOM 0 HA2 GLY A 45 1.299 -16.903 1.450 1.00 40.10 H new ATOM 0 HA3 GLY A 45 1.410 -17.504 -0.192 1.00 40.10 H new ATOM 626 N SER A 46 1.045 -14.450 -0.520 1.00 21.31 N ATOM 627 CA SER A 46 1.543 -13.158 -0.924 1.00 13.34 C ATOM 628 C SER A 46 0.387 -12.161 -0.816 1.00 21.42 C ATOM 629 O SER A 46 -0.784 -12.572 -0.764 1.00 40.44 O ATOM 630 CB SER A 46 2.068 -13.212 -2.369 1.00 35.22 C ATOM 631 OG SER A 46 3.079 -14.204 -2.523 1.00 20.11 O ATOM 0 H SER A 46 0.043 -14.561 -0.676 1.00 21.31 H new ATOM 0 HA SER A 46 2.370 -12.854 -0.283 1.00 13.34 H new ATOM 0 HB2 SER A 46 1.243 -13.424 -3.049 1.00 35.22 H new ATOM 0 HB3 SER A 46 2.468 -12.237 -2.648 1.00 35.22 H new ATOM 0 HG SER A 46 3.389 -14.213 -3.452 1.00 20.11 H new ATOM 637 N ALA A 47 0.690 -10.889 -0.763 1.00 23.34 N ATOM 638 CA ALA A 47 -0.324 -9.866 -0.634 1.00 73.31 C ATOM 639 C ALA A 47 0.098 -8.639 -1.401 1.00 40.32 C ATOM 640 O ALA A 47 1.287 -8.477 -1.683 1.00 1.23 O ATOM 641 CB ALA A 47 -0.558 -9.540 0.824 1.00 73.41 C ATOM 0 H ALA A 47 1.644 -10.531 -0.808 1.00 23.34 H new ATOM 0 HA ALA A 47 -1.263 -10.232 -1.050 1.00 73.31 H new ATOM 0 HB1 ALA A 47 -1.324 -8.769 0.906 1.00 73.41 H new ATOM 0 HB2 ALA A 47 -0.888 -10.436 1.349 1.00 73.41 H new ATOM 0 HB3 ALA A 47 0.369 -9.180 1.270 1.00 73.41 H new ATOM 647 N LEU A 48 -0.849 -7.809 -1.774 1.00 75.31 N ATOM 648 CA LEU A 48 -0.561 -6.615 -2.541 1.00 23.52 C ATOM 649 C LEU A 48 -1.347 -5.413 -2.037 1.00 35.13 C ATOM 650 O LEU A 48 -2.393 -5.567 -1.400 1.00 70.21 O ATOM 651 CB LEU A 48 -0.770 -6.853 -4.075 1.00 72.40 C ATOM 652 CG LEU A 48 -2.103 -7.490 -4.572 1.00 5.02 C ATOM 653 CD1 LEU A 48 -3.316 -6.602 -4.324 1.00 12.32 C ATOM 654 CD2 LEU A 48 -2.001 -7.821 -6.051 1.00 53.22 C ATOM 0 H LEU A 48 -1.837 -7.940 -1.556 1.00 75.31 H new ATOM 0 HA LEU A 48 0.494 -6.383 -2.394 1.00 23.52 H new ATOM 0 HB2 LEU A 48 -0.661 -5.890 -4.574 1.00 72.40 H new ATOM 0 HB3 LEU A 48 0.046 -7.487 -4.423 1.00 72.40 H new ATOM 0 HG LEU A 48 -2.252 -8.401 -3.992 1.00 5.02 H new ATOM 0 HD11 LEU A 48 -4.213 -7.100 -4.692 1.00 12.32 H new ATOM 0 HD12 LEU A 48 -3.417 -6.415 -3.255 1.00 12.32 H new ATOM 0 HD13 LEU A 48 -3.187 -5.655 -4.848 1.00 12.32 H new ATOM 0 HD21 LEU A 48 -2.937 -8.266 -6.390 1.00 53.22 H new ATOM 0 HD22 LEU A 48 -1.807 -6.909 -6.615 1.00 53.22 H new ATOM 0 HD23 LEU A 48 -1.185 -8.526 -6.211 1.00 53.22 H new ATOM 666 N LEU A 49 -0.841 -4.234 -2.293 1.00 61.20 N ATOM 667 CA LEU A 49 -1.567 -3.032 -1.965 1.00 10.31 C ATOM 668 C LEU A 49 -1.878 -2.308 -3.254 1.00 71.25 C ATOM 669 O LEU A 49 -1.015 -2.184 -4.127 1.00 12.31 O ATOM 670 CB LEU A 49 -0.828 -2.093 -0.956 1.00 11.32 C ATOM 671 CG LEU A 49 0.353 -1.219 -1.462 1.00 71.23 C ATOM 672 CD1 LEU A 49 0.783 -0.262 -0.373 1.00 35.42 C ATOM 673 CD2 LEU A 49 1.547 -2.049 -1.883 1.00 21.22 C ATOM 0 H LEU A 49 0.069 -4.080 -2.727 1.00 61.20 H new ATOM 0 HA LEU A 49 -2.481 -3.324 -1.448 1.00 10.31 H new ATOM 0 HB2 LEU A 49 -1.572 -1.423 -0.526 1.00 11.32 H new ATOM 0 HB3 LEU A 49 -0.452 -2.715 -0.144 1.00 11.32 H new ATOM 0 HG LEU A 49 -0.004 -0.675 -2.336 1.00 71.23 H new ATOM 0 HD11 LEU A 49 1.611 0.349 -0.732 1.00 35.42 H new ATOM 0 HD12 LEU A 49 -0.054 0.383 -0.104 1.00 35.42 H new ATOM 0 HD13 LEU A 49 1.102 -0.827 0.503 1.00 35.42 H new ATOM 0 HD21 LEU A 49 2.344 -1.391 -2.228 1.00 21.22 H new ATOM 0 HD22 LEU A 49 1.901 -2.634 -1.034 1.00 21.22 H new ATOM 0 HD23 LEU A 49 1.256 -2.721 -2.690 1.00 21.22 H new ATOM 685 N VAL A 50 -3.091 -1.877 -3.389 1.00 73.04 N ATOM 686 CA VAL A 50 -3.553 -1.213 -4.578 1.00 43.52 C ATOM 687 C VAL A 50 -3.744 0.253 -4.267 1.00 62.25 C ATOM 688 O VAL A 50 -4.316 0.598 -3.234 1.00 1.53 O ATOM 689 CB VAL A 50 -4.927 -1.785 -5.039 1.00 25.45 C ATOM 690 CG1 VAL A 50 -5.364 -1.181 -6.366 1.00 54.50 C ATOM 691 CG2 VAL A 50 -4.908 -3.308 -5.115 1.00 13.14 C ATOM 0 H VAL A 50 -3.805 -1.975 -2.667 1.00 73.04 H new ATOM 0 HA VAL A 50 -2.817 -1.365 -5.367 1.00 43.52 H new ATOM 0 HB VAL A 50 -5.660 -1.502 -4.284 1.00 25.45 H new ATOM 0 HG11 VAL A 50 -6.326 -1.602 -6.658 1.00 54.50 H new ATOM 0 HG12 VAL A 50 -5.458 -0.100 -6.260 1.00 54.50 H new ATOM 0 HG13 VAL A 50 -4.621 -1.408 -7.131 1.00 54.50 H new ATOM 0 HG21 VAL A 50 -5.884 -3.668 -5.440 1.00 13.14 H new ATOM 0 HG22 VAL A 50 -4.148 -3.627 -5.828 1.00 13.14 H new ATOM 0 HG23 VAL A 50 -4.679 -3.719 -4.132 1.00 13.14 H new ATOM 701 N VAL A 51 -3.266 1.106 -5.124 1.00 63.30 N ATOM 702 CA VAL A 51 -3.468 2.512 -4.943 1.00 65.41 C ATOM 703 C VAL A 51 -4.841 2.833 -5.505 1.00 23.02 C ATOM 704 O VAL A 51 -5.105 2.620 -6.702 1.00 23.21 O ATOM 705 CB VAL A 51 -2.380 3.336 -5.667 1.00 75.10 C ATOM 706 CG1 VAL A 51 -2.474 4.807 -5.297 1.00 41.41 C ATOM 707 CG2 VAL A 51 -0.988 2.790 -5.366 1.00 44.15 C ATOM 0 H VAL A 51 -2.733 0.852 -5.956 1.00 63.30 H new ATOM 0 HA VAL A 51 -3.403 2.772 -3.886 1.00 65.41 H new ATOM 0 HB VAL A 51 -2.553 3.246 -6.739 1.00 75.10 H new ATOM 0 HG11 VAL A 51 -1.697 5.364 -5.820 1.00 41.41 H new ATOM 0 HG12 VAL A 51 -3.452 5.192 -5.584 1.00 41.41 H new ATOM 0 HG13 VAL A 51 -2.340 4.921 -4.221 1.00 41.41 H new ATOM 0 HG21 VAL A 51 -0.242 3.389 -5.888 1.00 44.15 H new ATOM 0 HG22 VAL A 51 -0.804 2.836 -4.293 1.00 44.15 H new ATOM 0 HG23 VAL A 51 -0.923 1.755 -5.702 1.00 44.15 H new ATOM 717 N LYS A 52 -5.705 3.318 -4.648 1.00 40.30 N ATOM 718 CA LYS A 52 -7.085 3.575 -5.003 1.00 61.40 C ATOM 719 C LYS A 52 -7.211 4.924 -5.680 1.00 64.54 C ATOM 720 O LYS A 52 -8.051 5.123 -6.553 1.00 14.14 O ATOM 721 CB LYS A 52 -7.944 3.549 -3.730 1.00 22.44 C ATOM 722 CG LYS A 52 -9.441 3.675 -3.956 1.00 31.32 C ATOM 723 CD LYS A 52 -9.984 2.474 -4.698 1.00 22.30 C ATOM 724 CE LYS A 52 -11.483 2.559 -4.866 1.00 50.13 C ATOM 725 NZ LYS A 52 -12.014 1.378 -5.560 1.00 30.04 N ATOM 0 H LYS A 52 -5.474 3.547 -3.681 1.00 40.30 H new ATOM 0 HA LYS A 52 -7.428 2.806 -5.695 1.00 61.40 H new ATOM 0 HB2 LYS A 52 -7.750 2.617 -3.199 1.00 22.44 H new ATOM 0 HB3 LYS A 52 -7.622 4.360 -3.077 1.00 22.44 H new ATOM 0 HG2 LYS A 52 -9.949 3.774 -2.997 1.00 31.32 H new ATOM 0 HG3 LYS A 52 -9.651 4.582 -4.523 1.00 31.32 H new ATOM 0 HD2 LYS A 52 -9.510 2.405 -5.677 1.00 22.30 H new ATOM 0 HD3 LYS A 52 -9.729 1.564 -4.156 1.00 22.30 H new ATOM 0 HE2 LYS A 52 -11.955 2.651 -3.888 1.00 50.13 H new ATOM 0 HE3 LYS A 52 -11.737 3.458 -5.428 1.00 50.13 H new ATOM 0 HZ1 LYS A 52 -13.045 1.468 -5.659 1.00 30.04 H new ATOM 0 HZ2 LYS A 52 -11.581 1.305 -6.503 1.00 30.04 H new ATOM 0 HZ3 LYS A 52 -11.792 0.523 -5.010 1.00 30.04 H new ATOM 739 N ARG A 53 -6.366 5.827 -5.282 1.00 3.14 N ATOM 740 CA ARG A 53 -6.381 7.179 -5.778 1.00 13.21 C ATOM 741 C ARG A 53 -5.028 7.766 -5.490 1.00 30.42 C ATOM 742 O ARG A 53 -4.367 7.313 -4.570 1.00 13.12 O ATOM 743 CB ARG A 53 -7.515 7.970 -5.088 1.00 72.01 C ATOM 744 CG ARG A 53 -7.652 9.433 -5.500 1.00 45.02 C ATOM 745 CD ARG A 53 -8.940 10.022 -4.949 1.00 3.11 C ATOM 746 NE ARG A 53 -10.114 9.390 -5.568 1.00 61.51 N ATOM 747 CZ ARG A 53 -11.243 9.019 -4.950 1.00 44.01 C ATOM 748 NH1 ARG A 53 -11.388 9.187 -3.643 1.00 41.13 N ATOM 749 NH2 ARG A 53 -12.226 8.477 -5.653 1.00 1.32 N ATOM 0 H ARG A 53 -5.635 5.647 -4.594 1.00 3.14 H new ATOM 0 HA ARG A 53 -6.574 7.219 -6.850 1.00 13.21 H new ATOM 0 HB2 ARG A 53 -8.460 7.465 -5.291 1.00 72.01 H new ATOM 0 HB3 ARG A 53 -7.357 7.929 -4.010 1.00 72.01 H new ATOM 0 HG2 ARG A 53 -6.798 10.002 -5.132 1.00 45.02 H new ATOM 0 HG3 ARG A 53 -7.644 9.513 -6.587 1.00 45.02 H new ATOM 0 HD2 ARG A 53 -8.975 9.883 -3.868 1.00 3.11 H new ATOM 0 HD3 ARG A 53 -8.961 11.096 -5.133 1.00 3.11 H new ATOM 0 HE ARG A 53 -10.064 9.216 -6.572 1.00 61.51 H new ATOM 0 HH11 ARG A 53 -10.635 9.603 -3.096 1.00 41.13 H new ATOM 0 HH12 ARG A 53 -12.253 8.900 -3.185 1.00 41.13 H new ATOM 0 HH21 ARG A 53 -12.121 8.344 -6.659 1.00 1.32 H new ATOM 0 HH22 ARG A 53 -13.088 8.192 -5.189 1.00 1.32 H new ATOM 763 N GLY A 54 -4.586 8.690 -6.301 1.00 51.54 N ATOM 764 CA GLY A 54 -3.301 9.300 -6.094 1.00 62.51 C ATOM 765 C GLY A 54 -2.463 9.183 -7.339 1.00 30.25 C ATOM 766 O GLY A 54 -2.995 8.815 -8.382 1.00 4.31 O ATOM 0 H GLY A 54 -5.098 9.037 -7.112 1.00 51.54 H new ATOM 0 HA2 GLY A 54 -3.427 10.350 -5.829 1.00 62.51 H new ATOM 0 HA3 GLY A 54 -2.793 8.819 -5.258 1.00 62.51 H new ATOM 770 N PRO A 55 -1.151 9.466 -7.272 1.00 50.21 N ATOM 771 CA PRO A 55 -0.254 9.391 -8.446 1.00 70.30 C ATOM 772 C PRO A 55 -0.216 7.984 -9.060 1.00 73.24 C ATOM 773 O PRO A 55 -0.435 7.799 -10.252 1.00 22.53 O ATOM 774 CB PRO A 55 1.126 9.761 -7.862 1.00 11.40 C ATOM 775 CG PRO A 55 0.987 9.558 -6.389 1.00 35.32 C ATOM 776 CD PRO A 55 -0.432 9.914 -6.069 1.00 44.35 C ATOM 0 HA PRO A 55 -0.581 10.046 -9.254 1.00 70.30 H new ATOM 0 HB2 PRO A 55 1.912 9.129 -8.275 1.00 11.40 H new ATOM 0 HB3 PRO A 55 1.390 10.792 -8.095 1.00 11.40 H new ATOM 0 HG2 PRO A 55 1.205 8.526 -6.113 1.00 35.32 H new ATOM 0 HG3 PRO A 55 1.684 10.190 -5.838 1.00 35.32 H new ATOM 0 HD2 PRO A 55 -0.786 9.406 -5.172 1.00 44.35 H new ATOM 0 HD3 PRO A 55 -0.554 10.984 -5.898 1.00 44.35 H new ATOM 784 N ASN A 56 -0.003 6.989 -8.223 1.00 64.22 N ATOM 785 CA ASN A 56 0.090 5.603 -8.693 1.00 64.43 C ATOM 786 C ASN A 56 -1.266 4.905 -8.689 1.00 72.15 C ATOM 787 O ASN A 56 -1.325 3.682 -8.661 1.00 32.10 O ATOM 788 CB ASN A 56 1.106 4.784 -7.861 1.00 24.03 C ATOM 789 CG ASN A 56 2.552 5.182 -8.099 1.00 40.55 C ATOM 790 OD1 ASN A 56 3.200 4.687 -9.023 1.00 32.43 O ATOM 791 ND2 ASN A 56 3.102 6.006 -7.237 1.00 51.40 N ATOM 0 H ASN A 56 0.110 7.103 -7.216 1.00 64.22 H new ATOM 0 HA ASN A 56 0.444 5.653 -9.723 1.00 64.43 H new ATOM 0 HB2 ASN A 56 0.875 4.903 -6.802 1.00 24.03 H new ATOM 0 HB3 ASN A 56 0.986 3.726 -8.096 1.00 24.03 H new ATOM 0 HD21 ASN A 56 4.089 6.250 -7.323 1.00 51.40 H new ATOM 0 HD22 ASN A 56 2.543 6.402 -6.481 1.00 51.40 H new ATOM 798 N ALA A 57 -2.355 5.680 -8.734 1.00 42.44 N ATOM 799 CA ALA A 57 -3.709 5.112 -8.686 1.00 61.41 C ATOM 800 C ALA A 57 -3.929 4.117 -9.805 1.00 42.13 C ATOM 801 O ALA A 57 -3.684 4.419 -10.981 1.00 11.44 O ATOM 802 CB ALA A 57 -4.747 6.205 -8.775 1.00 41.10 C ATOM 0 H ALA A 57 -2.327 6.697 -8.803 1.00 42.44 H new ATOM 0 HA ALA A 57 -3.811 4.593 -7.733 1.00 61.41 H new ATOM 0 HB1 ALA A 57 -5.743 5.764 -8.738 1.00 41.10 H new ATOM 0 HB2 ALA A 57 -4.623 6.893 -7.939 1.00 41.10 H new ATOM 0 HB3 ALA A 57 -4.625 6.747 -9.713 1.00 41.10 H new ATOM 808 N GLY A 58 -4.396 2.950 -9.441 1.00 30.23 N ATOM 809 CA GLY A 58 -4.615 1.899 -10.396 1.00 42.13 C ATOM 810 C GLY A 58 -3.516 0.864 -10.343 1.00 31.13 C ATOM 811 O GLY A 58 -3.708 -0.283 -10.749 1.00 52.24 O ATOM 0 H GLY A 58 -4.633 2.704 -8.480 1.00 30.23 H new ATOM 0 HA2 GLY A 58 -5.575 1.422 -10.200 1.00 42.13 H new ATOM 0 HA3 GLY A 58 -4.669 2.323 -11.399 1.00 42.13 H new ATOM 815 N ALA A 59 -2.377 1.247 -9.827 1.00 74.21 N ATOM 816 CA ALA A 59 -1.268 0.338 -9.722 1.00 71.50 C ATOM 817 C ALA A 59 -1.313 -0.387 -8.398 1.00 5.41 C ATOM 818 O ALA A 59 -1.943 0.081 -7.432 1.00 44.52 O ATOM 819 CB ALA A 59 0.057 1.061 -9.894 1.00 43.04 C ATOM 0 H ALA A 59 -2.194 2.186 -9.472 1.00 74.21 H new ATOM 0 HA ALA A 59 -1.351 -0.393 -10.526 1.00 71.50 H new ATOM 0 HB1 ALA A 59 0.875 0.346 -9.809 1.00 43.04 H new ATOM 0 HB2 ALA A 59 0.089 1.534 -10.876 1.00 43.04 H new ATOM 0 HB3 ALA A 59 0.159 1.822 -9.121 1.00 43.04 H new ATOM 825 N ARG A 60 -0.686 -1.528 -8.355 1.00 4.21 N ATOM 826 CA ARG A 60 -0.620 -2.314 -7.155 1.00 72.34 C ATOM 827 C ARG A 60 0.729 -2.965 -7.054 1.00 12.14 C ATOM 828 O ARG A 60 1.284 -3.411 -8.060 1.00 52.34 O ATOM 829 CB ARG A 60 -1.751 -3.376 -7.046 1.00 23.04 C ATOM 830 CG ARG A 60 -1.824 -4.425 -8.161 1.00 11.41 C ATOM 831 CD ARG A 60 -2.459 -3.880 -9.425 1.00 11.01 C ATOM 832 NE ARG A 60 -2.520 -4.889 -10.483 1.00 13.40 N ATOM 833 CZ ARG A 60 -3.368 -4.872 -11.517 1.00 54.32 C ATOM 834 NH1 ARG A 60 -4.259 -3.893 -11.635 1.00 65.02 N ATOM 835 NH2 ARG A 60 -3.329 -5.843 -12.424 1.00 75.31 N ATOM 0 H ARG A 60 -0.204 -1.941 -9.154 1.00 4.21 H new ATOM 0 HA ARG A 60 -0.770 -1.632 -6.318 1.00 72.34 H new ATOM 0 HB2 ARG A 60 -1.637 -3.898 -6.096 1.00 23.04 H new ATOM 0 HB3 ARG A 60 -2.706 -2.852 -7.009 1.00 23.04 H new ATOM 0 HG2 ARG A 60 -0.819 -4.782 -8.387 1.00 11.41 H new ATOM 0 HG3 ARG A 60 -2.396 -5.284 -7.811 1.00 11.41 H new ATOM 0 HD2 ARG A 60 -3.466 -3.526 -9.202 1.00 11.01 H new ATOM 0 HD3 ARG A 60 -1.889 -3.020 -9.776 1.00 11.01 H new ATOM 0 HE ARG A 60 -1.863 -5.667 -10.427 1.00 13.40 H new ATOM 0 HH11 ARG A 60 -4.298 -3.151 -10.936 1.00 65.02 H new ATOM 0 HH12 ARG A 60 -4.904 -3.883 -12.425 1.00 65.02 H new ATOM 0 HH21 ARG A 60 -2.652 -6.601 -12.331 1.00 75.31 H new ATOM 0 HH22 ARG A 60 -3.976 -5.830 -13.213 1.00 75.31 H new ATOM 849 N PHE A 61 1.269 -2.993 -5.874 1.00 52.34 N ATOM 850 CA PHE A 61 2.559 -3.590 -5.645 1.00 10.24 C ATOM 851 C PHE A 61 2.398 -4.789 -4.740 1.00 4.32 C ATOM 852 O PHE A 61 1.663 -4.720 -3.751 1.00 20.32 O ATOM 853 CB PHE A 61 3.521 -2.566 -5.018 1.00 15.32 C ATOM 854 CG PHE A 61 3.824 -1.388 -5.907 1.00 12.20 C ATOM 855 CD1 PHE A 61 2.972 -0.294 -5.954 1.00 45.42 C ATOM 856 CD2 PHE A 61 4.953 -1.383 -6.702 1.00 22.42 C ATOM 857 CE1 PHE A 61 3.244 0.778 -6.778 1.00 73.01 C ATOM 858 CE2 PHE A 61 5.228 -0.317 -7.527 1.00 4.23 C ATOM 859 CZ PHE A 61 4.373 0.766 -7.567 1.00 0.31 C ATOM 0 H PHE A 61 0.831 -2.604 -5.039 1.00 52.34 H new ATOM 0 HA PHE A 61 2.983 -3.912 -6.596 1.00 10.24 H new ATOM 0 HB2 PHE A 61 3.091 -2.203 -4.084 1.00 15.32 H new ATOM 0 HB3 PHE A 61 4.455 -3.067 -4.765 1.00 15.32 H new ATOM 0 HD1 PHE A 61 2.085 -0.282 -5.338 1.00 45.42 H new ATOM 0 HD2 PHE A 61 5.628 -2.226 -6.676 1.00 22.42 H new ATOM 0 HE1 PHE A 61 2.574 1.624 -6.805 1.00 73.01 H new ATOM 0 HE2 PHE A 61 6.114 -0.327 -8.144 1.00 4.23 H new ATOM 0 HZ PHE A 61 4.589 1.602 -8.216 1.00 0.31 H new ATOM 869 N LEU A 62 3.028 -5.894 -5.085 1.00 51.41 N ATOM 870 CA LEU A 62 2.953 -7.075 -4.243 1.00 43.23 C ATOM 871 C LEU A 62 4.095 -7.049 -3.256 1.00 64.30 C ATOM 872 O LEU A 62 5.197 -6.588 -3.581 1.00 53.53 O ATOM 873 CB LEU A 62 2.896 -8.424 -5.028 1.00 12.15 C ATOM 874 CG LEU A 62 4.154 -8.920 -5.790 1.00 42.34 C ATOM 875 CD1 LEU A 62 3.934 -10.340 -6.279 1.00 10.24 C ATOM 876 CD2 LEU A 62 4.491 -8.032 -6.976 1.00 45.41 C ATOM 0 H LEU A 62 3.590 -6.001 -5.929 1.00 51.41 H new ATOM 0 HA LEU A 62 2.001 -7.034 -3.714 1.00 43.23 H new ATOM 0 HB2 LEU A 62 2.616 -9.203 -4.319 1.00 12.15 H new ATOM 0 HB3 LEU A 62 2.085 -8.346 -5.752 1.00 12.15 H new ATOM 0 HG LEU A 62 4.991 -8.884 -5.092 1.00 42.34 H new ATOM 0 HD11 LEU A 62 4.820 -10.682 -6.813 1.00 10.24 H new ATOM 0 HD12 LEU A 62 3.749 -10.994 -5.427 1.00 10.24 H new ATOM 0 HD13 LEU A 62 3.075 -10.365 -6.949 1.00 10.24 H new ATOM 0 HD21 LEU A 62 5.378 -8.418 -7.479 1.00 45.41 H new ATOM 0 HD22 LEU A 62 3.653 -8.023 -7.674 1.00 45.41 H new ATOM 0 HD23 LEU A 62 4.684 -7.017 -6.628 1.00 45.41 H new ATOM 888 N LEU A 63 3.847 -7.508 -2.064 1.00 22.43 N ATOM 889 CA LEU A 63 4.829 -7.418 -1.024 1.00 43.33 C ATOM 890 C LEU A 63 5.371 -8.776 -0.637 1.00 53.02 C ATOM 891 O LEU A 63 4.647 -9.608 -0.085 1.00 24.10 O ATOM 892 CB LEU A 63 4.272 -6.740 0.256 1.00 51.23 C ATOM 893 CG LEU A 63 3.617 -5.344 0.147 1.00 35.15 C ATOM 894 CD1 LEU A 63 4.445 -4.384 -0.685 1.00 3.55 C ATOM 895 CD2 LEU A 63 2.179 -5.430 -0.342 1.00 11.43 C ATOM 0 H LEU A 63 2.970 -7.950 -1.788 1.00 22.43 H new ATOM 0 HA LEU A 63 5.630 -6.806 -1.439 1.00 43.33 H new ATOM 0 HB2 LEU A 63 3.535 -7.415 0.690 1.00 51.23 H new ATOM 0 HB3 LEU A 63 5.092 -6.662 0.969 1.00 51.23 H new ATOM 0 HG LEU A 63 3.586 -4.932 1.156 1.00 35.15 H new ATOM 0 HD11 LEU A 63 3.943 -3.417 -0.732 1.00 3.55 H new ATOM 0 HD12 LEU A 63 5.427 -4.261 -0.229 1.00 3.55 H new ATOM 0 HD13 LEU A 63 4.560 -4.782 -1.693 1.00 3.55 H new ATOM 0 HD21 LEU A 63 1.755 -4.428 -0.405 1.00 11.43 H new ATOM 0 HD22 LEU A 63 2.157 -5.895 -1.327 1.00 11.43 H new ATOM 0 HD23 LEU A 63 1.593 -6.029 0.355 1.00 11.43 H new ATOM 907 N ASP A 64 6.614 -9.002 -0.968 1.00 30.02 N ATOM 908 CA ASP A 64 7.365 -10.136 -0.466 1.00 61.01 C ATOM 909 C ASP A 64 8.742 -9.634 -0.134 1.00 65.04 C ATOM 910 O ASP A 64 9.750 -9.979 -0.752 1.00 44.42 O ATOM 911 CB ASP A 64 7.409 -11.336 -1.418 1.00 23.25 C ATOM 912 CG ASP A 64 8.165 -12.515 -0.812 1.00 21.42 C ATOM 913 OD1 ASP A 64 7.986 -12.805 0.390 1.00 53.14 O ATOM 914 OD2 ASP A 64 8.901 -13.214 -1.548 1.00 65.34 O ATOM 0 H ASP A 64 7.145 -8.402 -1.599 1.00 30.02 H new ATOM 0 HA ASP A 64 6.860 -10.530 0.416 1.00 61.01 H new ATOM 0 HB2 ASP A 64 6.392 -11.643 -1.662 1.00 23.25 H new ATOM 0 HB3 ASP A 64 7.886 -11.041 -2.353 1.00 23.25 H new ATOM 919 N GLN A 65 8.734 -8.693 0.755 1.00 52.53 N ATOM 920 CA GLN A 65 9.906 -8.021 1.214 1.00 75.00 C ATOM 921 C GLN A 65 9.695 -7.681 2.669 1.00 55.44 C ATOM 922 O GLN A 65 8.577 -7.343 3.058 1.00 32.11 O ATOM 923 CB GLN A 65 10.153 -6.760 0.359 1.00 41.04 C ATOM 924 CG GLN A 65 8.996 -5.765 0.316 1.00 10.33 C ATOM 925 CD GLN A 65 9.118 -4.758 -0.820 1.00 41.45 C ATOM 926 OE1 GLN A 65 10.222 -4.423 -1.265 1.00 42.24 O ATOM 927 NE2 GLN A 65 8.004 -4.247 -1.265 1.00 74.20 N ATOM 0 H GLN A 65 7.878 -8.359 1.198 1.00 52.53 H new ATOM 0 HA GLN A 65 10.790 -8.651 1.116 1.00 75.00 H new ATOM 0 HB2 GLN A 65 11.036 -6.249 0.742 1.00 41.04 H new ATOM 0 HB3 GLN A 65 10.381 -7.071 -0.660 1.00 41.04 H new ATOM 0 HG2 GLN A 65 8.058 -6.311 0.211 1.00 10.33 H new ATOM 0 HG3 GLN A 65 8.949 -5.230 1.265 1.00 10.33 H new ATOM 0 HE21 GLN A 65 7.112 -4.549 -0.873 1.00 74.20 H new ATOM 0 HE22 GLN A 65 8.025 -3.546 -2.005 1.00 74.20 H new ATOM 936 N PRO A 66 10.719 -7.801 3.503 1.00 24.24 N ATOM 937 CA PRO A 66 10.600 -7.517 4.926 1.00 3.53 C ATOM 938 C PRO A 66 10.255 -6.053 5.236 1.00 23.21 C ATOM 939 O PRO A 66 9.732 -5.750 6.316 1.00 42.24 O ATOM 940 CB PRO A 66 11.970 -7.881 5.500 1.00 51.24 C ATOM 941 CG PRO A 66 12.893 -7.886 4.339 1.00 4.54 C ATOM 942 CD PRO A 66 12.070 -8.276 3.150 1.00 71.45 C ATOM 0 HA PRO A 66 9.778 -8.085 5.363 1.00 3.53 H new ATOM 0 HB2 PRO A 66 12.287 -7.157 6.251 1.00 51.24 H new ATOM 0 HB3 PRO A 66 11.946 -8.856 5.987 1.00 51.24 H new ATOM 0 HG2 PRO A 66 13.343 -6.903 4.195 1.00 4.54 H new ATOM 0 HG3 PRO A 66 13.710 -8.591 4.495 1.00 4.54 H new ATOM 0 HD2 PRO A 66 12.435 -7.807 2.236 1.00 71.45 H new ATOM 0 HD3 PRO A 66 12.087 -9.353 2.984 1.00 71.45 H new ATOM 950 N THR A 67 10.532 -5.140 4.322 1.00 24.11 N ATOM 951 CA THR A 67 10.231 -3.742 4.571 1.00 0.51 C ATOM 952 C THR A 67 9.887 -3.000 3.280 1.00 55.41 C ATOM 953 O THR A 67 10.669 -2.972 2.345 1.00 43.42 O ATOM 954 CB THR A 67 11.415 -3.032 5.292 1.00 43.04 C ATOM 955 OG1 THR A 67 11.706 -3.708 6.532 1.00 73.42 O ATOM 956 CG2 THR A 67 11.082 -1.570 5.592 1.00 30.31 C ATOM 0 H THR A 67 10.957 -5.336 3.416 1.00 24.11 H new ATOM 0 HA THR A 67 9.357 -3.716 5.222 1.00 0.51 H new ATOM 0 HB THR A 67 12.281 -3.067 4.630 1.00 43.04 H new ATOM 0 HG1 THR A 67 12.452 -3.260 6.982 1.00 73.42 H new ATOM 0 HG21 THR A 67 11.927 -1.100 6.095 1.00 30.31 H new ATOM 0 HG22 THR A 67 10.878 -1.045 4.659 1.00 30.31 H new ATOM 0 HG23 THR A 67 10.204 -1.522 6.236 1.00 30.31 H new ATOM 964 N THR A 68 8.720 -2.423 3.243 1.00 3.22 N ATOM 965 CA THR A 68 8.291 -1.626 2.130 1.00 74.54 C ATOM 966 C THR A 68 8.176 -0.187 2.624 1.00 51.24 C ATOM 967 O THR A 68 7.351 0.098 3.476 1.00 3.40 O ATOM 968 CB THR A 68 6.898 -2.099 1.673 1.00 74.14 C ATOM 969 OG1 THR A 68 6.891 -3.537 1.578 1.00 14.50 O ATOM 970 CG2 THR A 68 6.538 -1.499 0.325 1.00 22.45 C ATOM 0 H THR A 68 8.032 -2.494 3.993 1.00 3.22 H new ATOM 0 HA THR A 68 8.994 -1.709 1.301 1.00 74.54 H new ATOM 0 HB THR A 68 6.160 -1.770 2.405 1.00 74.14 H new ATOM 0 HG1 THR A 68 6.040 -3.883 1.918 1.00 14.50 H new ATOM 0 HG21 THR A 68 5.550 -1.848 0.024 1.00 22.45 H new ATOM 0 HG22 THR A 68 6.531 -0.412 0.401 1.00 22.45 H new ATOM 0 HG23 THR A 68 7.274 -1.806 -0.418 1.00 22.45 H new ATOM 978 N THR A 69 8.995 0.695 2.137 1.00 51.04 N ATOM 979 CA THR A 69 8.932 2.062 2.583 1.00 72.24 C ATOM 980 C THR A 69 8.047 2.871 1.633 1.00 14.54 C ATOM 981 O THR A 69 8.075 2.655 0.410 1.00 53.44 O ATOM 982 CB THR A 69 10.350 2.670 2.678 1.00 4.11 C ATOM 983 OG1 THR A 69 11.168 1.790 3.471 1.00 64.31 O ATOM 984 CG2 THR A 69 10.312 4.044 3.343 1.00 30.24 C ATOM 0 H THR A 69 9.710 0.500 1.437 1.00 51.04 H new ATOM 0 HA THR A 69 8.493 2.094 3.580 1.00 72.24 H new ATOM 0 HB THR A 69 10.756 2.784 1.673 1.00 4.11 H new ATOM 0 HG1 THR A 69 12.073 2.159 3.541 1.00 64.31 H new ATOM 0 HG21 THR A 69 11.322 4.450 3.398 1.00 30.24 H new ATOM 0 HG22 THR A 69 9.683 4.714 2.757 1.00 30.24 H new ATOM 0 HG23 THR A 69 9.904 3.950 4.349 1.00 30.24 H new ATOM 992 N ALA A 70 7.226 3.732 2.193 1.00 5.13 N ATOM 993 CA ALA A 70 6.372 4.573 1.418 1.00 74.43 C ATOM 994 C ALA A 70 6.705 6.020 1.688 1.00 73.34 C ATOM 995 O ALA A 70 6.866 6.445 2.872 1.00 23.41 O ATOM 996 CB ALA A 70 4.917 4.296 1.751 1.00 61.11 C ATOM 0 H ALA A 70 7.139 3.861 3.201 1.00 5.13 H new ATOM 0 HA ALA A 70 6.529 4.363 0.360 1.00 74.43 H new ATOM 0 HB1 ALA A 70 4.277 4.944 1.153 1.00 61.11 H new ATOM 0 HB2 ALA A 70 4.685 3.254 1.531 1.00 61.11 H new ATOM 0 HB3 ALA A 70 4.743 4.490 2.809 1.00 61.11 H new ATOM 1002 N GLY A 71 6.791 6.776 0.629 1.00 1.31 N ATOM 1003 CA GLY A 71 7.107 8.157 0.735 1.00 72.33 C ATOM 1004 C GLY A 71 7.727 8.684 -0.530 1.00 75.42 C ATOM 1005 O GLY A 71 7.121 8.616 -1.602 1.00 22.52 O ATOM 0 H GLY A 71 6.643 6.446 -0.325 1.00 1.31 H new ATOM 0 HA2 GLY A 71 6.202 8.721 0.959 1.00 72.33 H new ATOM 0 HA3 GLY A 71 7.793 8.311 1.568 1.00 72.33 H new ATOM 1009 N ARG A 72 8.932 9.159 -0.416 1.00 72.44 N ATOM 1010 CA ARG A 72 9.626 9.793 -1.509 1.00 42.11 C ATOM 1011 C ARG A 72 10.891 9.037 -1.854 1.00 55.54 C ATOM 1012 O ARG A 72 11.412 8.310 -1.007 1.00 44.54 O ATOM 1013 CB ARG A 72 9.910 11.270 -1.213 1.00 45.22 C ATOM 1014 CG ARG A 72 10.884 11.547 -0.086 1.00 72.52 C ATOM 1015 CD ARG A 72 10.935 13.035 0.193 1.00 15.21 C ATOM 1016 NE ARG A 72 12.012 13.405 1.115 1.00 22.21 N ATOM 1017 CZ ARG A 72 11.987 14.465 1.942 1.00 32.51 C ATOM 1018 NH1 ARG A 72 10.871 15.172 2.118 1.00 65.04 N ATOM 1019 NH2 ARG A 72 13.073 14.788 2.620 1.00 72.24 N ATOM 0 H ARG A 72 9.472 9.119 0.448 1.00 72.44 H new ATOM 0 HA ARG A 72 8.974 9.764 -2.382 1.00 42.11 H new ATOM 0 HB2 ARG A 72 10.294 11.734 -2.121 1.00 45.22 H new ATOM 0 HB3 ARG A 72 8.965 11.761 -0.979 1.00 45.22 H new ATOM 0 HG2 ARG A 72 10.578 11.010 0.812 1.00 72.52 H new ATOM 0 HG3 ARG A 72 11.876 11.183 -0.353 1.00 72.52 H new ATOM 0 HD2 ARG A 72 11.067 13.571 -0.747 1.00 15.21 H new ATOM 0 HD3 ARG A 72 9.980 13.354 0.611 1.00 15.21 H new ATOM 0 HE ARG A 72 12.843 12.814 1.131 1.00 22.21 H new ATOM 0 HH11 ARG A 72 10.019 14.912 1.622 1.00 65.04 H new ATOM 0 HH12 ARG A 72 10.869 15.973 2.749 1.00 65.04 H new ATOM 0 HH21 ARG A 72 13.923 14.235 2.515 1.00 72.24 H new ATOM 0 HH22 ARG A 72 13.062 15.591 3.249 1.00 72.24 H new ATOM 1033 N HIS A 73 11.305 9.140 -3.130 1.00 55.43 N ATOM 1034 CA HIS A 73 12.527 8.506 -3.704 1.00 32.44 C ATOM 1035 C HIS A 73 12.216 7.125 -4.261 1.00 11.03 C ATOM 1036 O HIS A 73 11.311 6.452 -3.777 1.00 1.25 O ATOM 1037 CB HIS A 73 13.744 8.423 -2.720 1.00 11.04 C ATOM 1038 CG HIS A 73 14.238 9.729 -2.162 1.00 13.11 C ATOM 1039 ND1 HIS A 73 15.078 9.818 -1.078 1.00 32.31 N ATOM 1040 CD2 HIS A 73 13.991 11.004 -2.547 1.00 31.45 C ATOM 1041 CE1 HIS A 73 15.308 11.108 -0.831 1.00 15.50 C ATOM 1042 NE2 HIS A 73 14.670 11.878 -1.698 1.00 71.13 N ATOM 0 H HIS A 73 10.787 9.683 -3.821 1.00 55.43 H new ATOM 0 HA HIS A 73 12.835 9.173 -4.509 1.00 32.44 H new ATOM 0 HB2 HIS A 73 13.467 7.777 -1.887 1.00 11.04 H new ATOM 0 HB3 HIS A 73 14.571 7.937 -3.238 1.00 11.04 H new ATOM 0 HD2 HIS A 73 13.368 11.297 -3.379 1.00 31.45 H new ATOM 0 HE1 HIS A 73 15.932 11.476 -0.030 1.00 15.50 H new ATOM 0 HE2 HIS A 73 14.674 12.897 -1.737 1.00 71.13 H new ATOM 1050 N PRO A 74 12.970 6.664 -5.296 1.00 34.23 N ATOM 1051 CA PRO A 74 12.786 5.322 -5.893 1.00 25.13 C ATOM 1052 C PRO A 74 13.223 4.211 -4.938 1.00 71.32 C ATOM 1053 O PRO A 74 13.065 3.025 -5.222 1.00 5.34 O ATOM 1054 CB PRO A 74 13.700 5.338 -7.134 1.00 34.32 C ATOM 1055 CG PRO A 74 14.041 6.774 -7.352 1.00 63.21 C ATOM 1056 CD PRO A 74 14.032 7.409 -5.999 1.00 52.42 C ATOM 0 HA PRO A 74 11.740 5.124 -6.125 1.00 25.13 H new ATOM 0 HB2 PRO A 74 14.597 4.741 -6.970 1.00 34.32 H new ATOM 0 HB3 PRO A 74 13.192 4.918 -8.002 1.00 34.32 H new ATOM 0 HG2 PRO A 74 15.018 6.876 -7.824 1.00 63.21 H new ATOM 0 HG3 PRO A 74 13.317 7.251 -8.012 1.00 63.21 H new ATOM 0 HD2 PRO A 74 14.995 7.309 -5.499 1.00 52.42 H new ATOM 0 HD3 PRO A 74 13.810 8.475 -6.054 1.00 52.42 H new ATOM 1064 N GLU A 75 13.790 4.627 -3.816 1.00 25.13 N ATOM 1065 CA GLU A 75 14.205 3.730 -2.762 1.00 4.23 C ATOM 1066 C GLU A 75 12.954 3.230 -2.040 1.00 75.31 C ATOM 1067 O GLU A 75 12.939 2.147 -1.448 1.00 22.20 O ATOM 1068 CB GLU A 75 15.100 4.478 -1.785 1.00 65.50 C ATOM 1069 CG GLU A 75 16.293 5.154 -2.431 1.00 33.25 C ATOM 1070 CD GLU A 75 17.125 5.914 -1.435 1.00 44.11 C ATOM 1071 OE1 GLU A 75 16.752 7.052 -1.079 1.00 64.24 O ATOM 1072 OE2 GLU A 75 18.186 5.401 -1.004 1.00 52.23 O ATOM 0 H GLU A 75 13.975 5.610 -3.615 1.00 25.13 H new ATOM 0 HA GLU A 75 14.760 2.888 -3.175 1.00 4.23 H new ATOM 0 HB2 GLU A 75 14.505 5.231 -1.268 1.00 65.50 H new ATOM 0 HB3 GLU A 75 15.458 3.779 -1.029 1.00 65.50 H new ATOM 0 HG2 GLU A 75 16.912 4.403 -2.921 1.00 33.25 H new ATOM 0 HG3 GLU A 75 15.946 5.836 -3.207 1.00 33.25 H new ATOM 1079 N SER A 76 11.913 4.040 -2.097 1.00 61.21 N ATOM 1080 CA SER A 76 10.637 3.689 -1.569 1.00 1.44 C ATOM 1081 C SER A 76 9.914 2.864 -2.636 1.00 33.22 C ATOM 1082 O SER A 76 9.759 3.316 -3.786 1.00 75.43 O ATOM 1083 CB SER A 76 9.865 4.968 -1.215 1.00 22.43 C ATOM 1084 OG SER A 76 10.611 5.756 -0.279 1.00 24.23 O ATOM 0 H SER A 76 11.945 4.968 -2.519 1.00 61.21 H new ATOM 0 HA SER A 76 10.724 3.100 -0.656 1.00 1.44 H new ATOM 0 HB2 SER A 76 9.674 5.548 -2.118 1.00 22.43 H new ATOM 0 HB3 SER A 76 8.895 4.710 -0.791 1.00 22.43 H new ATOM 0 HG SER A 76 10.835 6.620 -0.684 1.00 24.23 H new ATOM 1090 N ASP A 77 9.526 1.645 -2.275 1.00 12.43 N ATOM 1091 CA ASP A 77 8.909 0.699 -3.222 1.00 12.13 C ATOM 1092 C ASP A 77 7.561 1.219 -3.710 1.00 3.40 C ATOM 1093 O ASP A 77 7.161 0.987 -4.849 1.00 21.13 O ATOM 1094 CB ASP A 77 8.793 -0.694 -2.589 1.00 45.12 C ATOM 1095 CG ASP A 77 8.375 -1.789 -3.566 1.00 13.23 C ATOM 1096 OD1 ASP A 77 9.120 -2.035 -4.559 1.00 31.34 O ATOM 1097 OD2 ASP A 77 7.370 -2.480 -3.308 1.00 13.11 O ATOM 0 H ASP A 77 9.625 1.279 -1.328 1.00 12.43 H new ATOM 0 HA ASP A 77 9.553 0.610 -4.097 1.00 12.13 H new ATOM 0 HB2 ASP A 77 9.753 -0.962 -2.148 1.00 45.12 H new ATOM 0 HB3 ASP A 77 8.069 -0.652 -1.775 1.00 45.12 H new ATOM 1102 N ILE A 78 6.878 1.934 -2.852 1.00 4.51 N ATOM 1103 CA ILE A 78 5.679 2.613 -3.220 1.00 21.24 C ATOM 1104 C ILE A 78 5.866 4.119 -2.999 1.00 12.20 C ATOM 1105 O ILE A 78 6.060 4.595 -1.863 1.00 3.21 O ATOM 1106 CB ILE A 78 4.410 2.030 -2.510 1.00 33.21 C ATOM 1107 CG1 ILE A 78 3.181 2.938 -2.652 1.00 4.41 C ATOM 1108 CG2 ILE A 78 4.659 1.660 -1.063 1.00 22.45 C ATOM 1109 CD1 ILE A 78 2.681 3.111 -4.074 1.00 22.10 C ATOM 0 H ILE A 78 7.146 2.057 -1.876 1.00 4.51 H new ATOM 0 HA ILE A 78 5.490 2.447 -4.281 1.00 21.24 H new ATOM 0 HB ILE A 78 4.186 1.103 -3.038 1.00 33.21 H new ATOM 0 HG12 ILE A 78 2.373 2.530 -2.044 1.00 4.41 H new ATOM 0 HG13 ILE A 78 3.422 3.920 -2.244 1.00 4.41 H new ATOM 0 HG21 ILE A 78 3.743 1.262 -0.626 1.00 22.45 H new ATOM 0 HG22 ILE A 78 5.444 0.905 -1.010 1.00 22.45 H new ATOM 0 HG23 ILE A 78 4.970 2.546 -0.509 1.00 22.45 H new ATOM 0 HD11 ILE A 78 1.811 3.768 -4.076 1.00 22.10 H new ATOM 0 HD12 ILE A 78 3.469 3.550 -4.686 1.00 22.10 H new ATOM 0 HD13 ILE A 78 2.403 2.139 -4.483 1.00 22.10 H new ATOM 1121 N PHE A 79 5.869 4.842 -4.091 1.00 33.42 N ATOM 1122 CA PHE A 79 6.089 6.266 -4.083 1.00 54.42 C ATOM 1123 C PHE A 79 4.775 7.008 -3.892 1.00 73.24 C ATOM 1124 O PHE A 79 3.743 6.658 -4.490 1.00 63.52 O ATOM 1125 CB PHE A 79 6.768 6.694 -5.394 1.00 43.23 C ATOM 1126 CG PHE A 79 7.035 8.168 -5.510 1.00 61.13 C ATOM 1127 CD1 PHE A 79 8.136 8.733 -4.903 1.00 63.33 C ATOM 1128 CD2 PHE A 79 6.180 8.986 -6.234 1.00 10.02 C ATOM 1129 CE1 PHE A 79 8.377 10.081 -5.011 1.00 63.42 C ATOM 1130 CE2 PHE A 79 6.422 10.333 -6.343 1.00 30.13 C ATOM 1131 CZ PHE A 79 7.521 10.881 -5.735 1.00 22.33 C ATOM 0 H PHE A 79 5.717 4.453 -5.022 1.00 33.42 H new ATOM 0 HA PHE A 79 6.743 6.519 -3.249 1.00 54.42 H new ATOM 0 HB2 PHE A 79 7.713 6.159 -5.490 1.00 43.23 H new ATOM 0 HB3 PHE A 79 6.141 6.385 -6.230 1.00 43.23 H new ATOM 0 HD1 PHE A 79 8.814 8.111 -4.338 1.00 63.33 H new ATOM 0 HD2 PHE A 79 5.314 8.558 -6.717 1.00 10.02 H new ATOM 0 HE1 PHE A 79 9.240 10.515 -4.527 1.00 63.42 H new ATOM 0 HE2 PHE A 79 5.747 10.960 -6.907 1.00 30.13 H new ATOM 0 HZ PHE A 79 7.716 11.940 -5.823 1.00 22.33 H new ATOM 1141 N LEU A 80 4.807 8.026 -3.084 1.00 44.21 N ATOM 1142 CA LEU A 80 3.640 8.799 -2.801 1.00 14.11 C ATOM 1143 C LEU A 80 3.911 10.255 -3.131 1.00 44.32 C ATOM 1144 O LEU A 80 5.008 10.769 -2.883 1.00 2.01 O ATOM 1145 CB LEU A 80 3.272 8.676 -1.317 1.00 30.01 C ATOM 1146 CG LEU A 80 3.041 7.259 -0.773 1.00 64.24 C ATOM 1147 CD1 LEU A 80 2.772 7.319 0.716 1.00 43.12 C ATOM 1148 CD2 LEU A 80 1.882 6.579 -1.486 1.00 44.41 C ATOM 0 H LEU A 80 5.648 8.343 -2.602 1.00 44.21 H new ATOM 0 HA LEU A 80 2.812 8.429 -3.405 1.00 14.11 H new ATOM 0 HB2 LEU A 80 4.066 9.139 -0.731 1.00 30.01 H new ATOM 0 HB3 LEU A 80 2.367 9.258 -1.143 1.00 30.01 H new ATOM 0 HG LEU A 80 3.941 6.671 -0.956 1.00 64.24 H new ATOM 0 HD11 LEU A 80 2.609 6.311 1.097 1.00 43.12 H new ATOM 0 HD12 LEU A 80 3.628 7.764 1.223 1.00 43.12 H new ATOM 0 HD13 LEU A 80 1.885 7.925 0.901 1.00 43.12 H new ATOM 0 HD21 LEU A 80 1.742 5.577 -1.080 1.00 44.41 H new ATOM 0 HD22 LEU A 80 0.972 7.161 -1.338 1.00 44.41 H new ATOM 0 HD23 LEU A 80 2.100 6.511 -2.552 1.00 44.41 H new ATOM 1160 N ASP A 81 2.942 10.888 -3.722 1.00 43.34 N ATOM 1161 CA ASP A 81 2.993 12.300 -4.029 1.00 13.24 C ATOM 1162 C ASP A 81 1.721 12.925 -3.545 1.00 3.11 C ATOM 1163 O ASP A 81 0.636 12.427 -3.856 1.00 64.23 O ATOM 1164 CB ASP A 81 3.166 12.563 -5.533 1.00 14.41 C ATOM 1165 CG ASP A 81 3.117 14.047 -5.880 1.00 12.24 C ATOM 1166 OD1 ASP A 81 4.170 14.734 -5.822 1.00 51.33 O ATOM 1167 OD2 ASP A 81 2.030 14.553 -6.231 1.00 14.34 O ATOM 0 H ASP A 81 2.075 10.436 -4.013 1.00 43.34 H new ATOM 0 HA ASP A 81 3.860 12.736 -3.531 1.00 13.24 H new ATOM 0 HB2 ASP A 81 4.118 12.148 -5.863 1.00 14.41 H new ATOM 0 HB3 ASP A 81 2.383 12.040 -6.082 1.00 14.41 H new ATOM 1172 N ASP A 82 1.842 13.957 -2.776 1.00 40.43 N ATOM 1173 CA ASP A 82 0.705 14.677 -2.237 1.00 10.55 C ATOM 1174 C ASP A 82 1.163 16.127 -2.086 1.00 72.22 C ATOM 1175 O ASP A 82 2.182 16.489 -2.690 1.00 64.35 O ATOM 1176 CB ASP A 82 0.283 14.059 -0.880 1.00 34.43 C ATOM 1177 CG ASP A 82 -1.064 14.565 -0.389 1.00 40.11 C ATOM 1178 OD1 ASP A 82 -2.102 14.012 -0.797 1.00 54.32 O ATOM 1179 OD2 ASP A 82 -1.089 15.543 0.384 1.00 14.02 O ATOM 0 H ASP A 82 2.744 14.340 -2.492 1.00 40.43 H new ATOM 0 HA ASP A 82 -0.169 14.619 -2.886 1.00 10.55 H new ATOM 0 HB2 ASP A 82 0.243 12.974 -0.978 1.00 34.43 H new ATOM 0 HB3 ASP A 82 1.044 14.284 -0.132 1.00 34.43 H new ATOM 1184 N VAL A 83 0.484 16.930 -1.288 1.00 51.11 N ATOM 1185 CA VAL A 83 0.822 18.336 -1.109 1.00 72.20 C ATOM 1186 C VAL A 83 2.222 18.456 -0.499 1.00 32.34 C ATOM 1187 O VAL A 83 3.006 19.363 -0.831 1.00 63.23 O ATOM 1188 CB VAL A 83 -0.218 19.045 -0.192 1.00 64.34 C ATOM 1189 CG1 VAL A 83 0.078 20.532 -0.062 1.00 54.43 C ATOM 1190 CG2 VAL A 83 -1.628 18.833 -0.720 1.00 45.44 C ATOM 0 H VAL A 83 -0.322 16.627 -0.742 1.00 51.11 H new ATOM 0 HA VAL A 83 0.806 18.823 -2.084 1.00 72.20 H new ATOM 0 HB VAL A 83 -0.142 18.599 0.800 1.00 64.34 H new ATOM 0 HG11 VAL A 83 -0.667 20.996 0.585 1.00 54.43 H new ATOM 0 HG12 VAL A 83 1.069 20.669 0.370 1.00 54.43 H new ATOM 0 HG13 VAL A 83 0.044 20.997 -1.047 1.00 54.43 H new ATOM 0 HG21 VAL A 83 -2.341 19.336 -0.066 1.00 45.44 H new ATOM 0 HG22 VAL A 83 -1.705 19.245 -1.726 1.00 45.44 H new ATOM 0 HG23 VAL A 83 -1.850 17.766 -0.747 1.00 45.44 H new ATOM 1200 N THR A 84 2.534 17.542 0.379 1.00 54.42 N ATOM 1201 CA THR A 84 3.827 17.465 1.002 1.00 75.52 C ATOM 1202 C THR A 84 4.110 16.004 1.314 1.00 0.50 C ATOM 1203 O THR A 84 3.266 15.325 1.881 1.00 42.24 O ATOM 1204 CB THR A 84 3.862 18.300 2.307 1.00 54.24 C ATOM 1205 OG1 THR A 84 3.444 19.645 2.017 1.00 74.45 O ATOM 1206 CG2 THR A 84 5.271 18.337 2.899 1.00 54.03 C ATOM 0 H THR A 84 1.885 16.817 0.687 1.00 54.42 H new ATOM 0 HA THR A 84 4.584 17.869 0.329 1.00 75.52 H new ATOM 0 HB THR A 84 3.191 17.836 3.031 1.00 54.24 H new ATOM 0 HG1 THR A 84 3.463 20.178 2.839 1.00 74.45 H new ATOM 0 HG21 THR A 84 5.266 18.930 3.814 1.00 54.03 H new ATOM 0 HG22 THR A 84 5.597 17.322 3.126 1.00 54.03 H new ATOM 0 HG23 THR A 84 5.956 18.786 2.180 1.00 54.03 H new ATOM 1214 N VAL A 85 5.227 15.509 0.850 1.00 74.32 N ATOM 1215 CA VAL A 85 5.618 14.143 1.106 1.00 33.14 C ATOM 1216 C VAL A 85 6.725 14.109 2.166 1.00 63.44 C ATOM 1217 O VAL A 85 7.671 14.907 2.108 1.00 2.31 O ATOM 1218 CB VAL A 85 6.093 13.446 -0.190 1.00 53.31 C ATOM 1219 CG1 VAL A 85 6.363 11.970 0.049 1.00 4.11 C ATOM 1220 CG2 VAL A 85 5.066 13.635 -1.295 1.00 23.43 C ATOM 0 H VAL A 85 5.892 16.038 0.285 1.00 74.32 H new ATOM 0 HA VAL A 85 4.749 13.601 1.477 1.00 33.14 H new ATOM 0 HB VAL A 85 7.030 13.907 -0.503 1.00 53.31 H new ATOM 0 HG11 VAL A 85 6.695 11.506 -0.880 1.00 4.11 H new ATOM 0 HG12 VAL A 85 7.138 11.860 0.807 1.00 4.11 H new ATOM 0 HG13 VAL A 85 5.449 11.484 0.391 1.00 4.11 H new ATOM 0 HG21 VAL A 85 5.412 13.140 -2.202 1.00 23.43 H new ATOM 0 HG22 VAL A 85 4.115 13.202 -0.986 1.00 23.43 H new ATOM 0 HG23 VAL A 85 4.934 14.699 -1.491 1.00 23.43 H new ATOM 1230 N SER A 86 6.607 13.217 3.117 1.00 23.41 N ATOM 1231 CA SER A 86 7.588 13.079 4.167 1.00 12.24 C ATOM 1232 C SER A 86 8.815 12.303 3.638 1.00 23.11 C ATOM 1233 O SER A 86 8.726 11.610 2.607 1.00 72.13 O ATOM 1234 CB SER A 86 6.946 12.354 5.372 1.00 64.51 C ATOM 1235 OG SER A 86 7.825 12.282 6.483 1.00 34.02 O ATOM 0 H SER A 86 5.827 12.564 3.186 1.00 23.41 H new ATOM 0 HA SER A 86 7.926 14.063 4.493 1.00 12.24 H new ATOM 0 HB2 SER A 86 6.035 12.876 5.665 1.00 64.51 H new ATOM 0 HB3 SER A 86 6.655 11.346 5.075 1.00 64.51 H new ATOM 0 HG SER A 86 7.380 11.818 7.223 1.00 34.02 H new ATOM 1241 N ARG A 87 9.950 12.452 4.329 1.00 32.32 N ATOM 1242 CA ARG A 87 11.202 11.753 3.990 1.00 21.14 C ATOM 1243 C ARG A 87 10.990 10.241 3.997 1.00 62.14 C ATOM 1244 O ARG A 87 11.366 9.540 3.064 1.00 1.53 O ATOM 1245 CB ARG A 87 12.340 12.198 4.951 1.00 42.04 C ATOM 1246 CG ARG A 87 11.938 12.247 6.432 1.00 25.54 C ATOM 1247 CD ARG A 87 13.048 12.794 7.318 1.00 42.02 C ATOM 1248 NE ARG A 87 12.575 13.113 8.686 1.00 12.13 N ATOM 1249 CZ ARG A 87 13.324 13.087 9.806 1.00 3.21 C ATOM 1250 NH1 ARG A 87 14.571 12.670 9.768 1.00 10.32 N ATOM 1251 NH2 ARG A 87 12.808 13.476 10.966 1.00 50.21 N ATOM 0 H ARG A 87 10.030 13.062 5.143 1.00 32.32 H new ATOM 0 HA ARG A 87 11.506 12.025 2.979 1.00 21.14 H new ATOM 0 HB2 ARG A 87 13.182 11.515 4.838 1.00 42.04 H new ATOM 0 HB3 ARG A 87 12.688 13.186 4.649 1.00 42.04 H new ATOM 0 HG2 ARG A 87 11.049 12.868 6.544 1.00 25.54 H new ATOM 0 HG3 ARG A 87 11.671 11.244 6.766 1.00 25.54 H new ATOM 0 HD2 ARG A 87 13.855 12.064 7.377 1.00 42.02 H new ATOM 0 HD3 ARG A 87 13.464 13.692 6.862 1.00 42.02 H new ATOM 0 HE ARG A 87 11.595 13.376 8.789 1.00 12.13 H new ATOM 0 HH11 ARG A 87 14.979 12.363 8.885 1.00 10.32 H new ATOM 0 HH12 ARG A 87 15.130 12.654 10.621 1.00 10.32 H new ATOM 0 HH21 ARG A 87 11.841 13.796 11.012 1.00 50.21 H new ATOM 0 HH22 ARG A 87 13.379 13.454 11.811 1.00 50.21 H new ATOM 1265 N ARG A 88 10.345 9.787 5.026 1.00 71.23 N ATOM 1266 CA ARG A 88 9.879 8.438 5.187 1.00 42.31 C ATOM 1267 C ARG A 88 8.606 8.591 5.959 1.00 12.13 C ATOM 1268 O ARG A 88 8.629 9.031 7.106 1.00 54.42 O ATOM 1269 CB ARG A 88 10.896 7.512 5.928 1.00 12.14 C ATOM 1270 CG ARG A 88 12.146 7.162 5.109 1.00 41.10 C ATOM 1271 CD ARG A 88 13.123 6.243 5.858 1.00 41.01 C ATOM 1272 NE ARG A 88 12.526 4.941 6.253 1.00 23.12 N ATOM 1273 CZ ARG A 88 13.065 3.720 5.999 1.00 65.44 C ATOM 1274 NH1 ARG A 88 14.214 3.612 5.354 1.00 52.13 N ATOM 1275 NH2 ARG A 88 12.473 2.613 6.441 1.00 64.43 N ATOM 0 H ARG A 88 10.115 10.379 5.824 1.00 71.23 H new ATOM 0 HA ARG A 88 9.742 7.946 4.224 1.00 42.31 H new ATOM 0 HB2 ARG A 88 11.206 8.000 6.852 1.00 12.14 H new ATOM 0 HB3 ARG A 88 10.390 6.588 6.209 1.00 12.14 H new ATOM 0 HG2 ARG A 88 11.841 6.678 4.181 1.00 41.10 H new ATOM 0 HG3 ARG A 88 12.661 8.082 4.834 1.00 41.10 H new ATOM 0 HD2 ARG A 88 13.992 6.059 5.227 1.00 41.01 H new ATOM 0 HD3 ARG A 88 13.480 6.756 6.751 1.00 41.01 H new ATOM 0 HE ARG A 88 11.639 4.966 6.756 1.00 23.12 H new ATOM 0 HH11 ARG A 88 14.704 4.450 5.042 1.00 52.13 H new ATOM 0 HH12 ARG A 88 14.610 2.691 5.168 1.00 52.13 H new ATOM 0 HH21 ARG A 88 11.607 2.677 6.976 1.00 64.43 H new ATOM 0 HH22 ARG A 88 12.886 1.701 6.245 1.00 64.43 H new ATOM 1289 N HIS A 89 7.501 8.342 5.316 1.00 23.43 N ATOM 1290 CA HIS A 89 6.220 8.611 5.928 1.00 73.53 C ATOM 1291 C HIS A 89 5.748 7.383 6.681 1.00 34.34 C ATOM 1292 O HIS A 89 5.459 7.432 7.883 1.00 4.53 O ATOM 1293 CB HIS A 89 5.213 8.997 4.832 1.00 44.12 C ATOM 1294 CG HIS A 89 3.937 9.617 5.323 1.00 4.00 C ATOM 1295 ND1 HIS A 89 3.556 10.874 4.913 1.00 11.11 N ATOM 1296 CD2 HIS A 89 2.979 9.104 6.126 1.00 1.31 C ATOM 1297 CE1 HIS A 89 2.386 11.088 5.467 1.00 61.44 C ATOM 1298 NE2 HIS A 89 1.992 10.044 6.215 1.00 51.11 N ATOM 0 H HIS A 89 7.455 7.955 4.373 1.00 23.43 H new ATOM 0 HA HIS A 89 6.308 9.435 6.636 1.00 73.53 H new ATOM 0 HB2 HIS A 89 5.696 9.694 4.147 1.00 44.12 H new ATOM 0 HB3 HIS A 89 4.966 8.104 4.257 1.00 44.12 H new ATOM 0 HD1 HIS A 89 4.075 11.508 4.305 1.00 11.11 H new ATOM 0 HD2 HIS A 89 2.991 8.136 6.605 1.00 1.31 H new ATOM 0 HE1 HIS A 89 1.810 11.993 5.338 1.00 61.44 H new ATOM 1306 N ALA A 90 5.743 6.273 6.000 1.00 73.25 N ATOM 1307 CA ALA A 90 5.281 5.051 6.586 1.00 64.35 C ATOM 1308 C ALA A 90 6.017 3.906 5.970 1.00 65.20 C ATOM 1309 O ALA A 90 6.554 4.030 4.862 1.00 74.12 O ATOM 1310 CB ALA A 90 3.780 4.888 6.359 1.00 1.24 C ATOM 0 H ALA A 90 6.056 6.191 5.033 1.00 73.25 H new ATOM 0 HA ALA A 90 5.467 5.073 7.660 1.00 64.35 H new ATOM 0 HB1 ALA A 90 3.443 3.955 6.810 1.00 1.24 H new ATOM 0 HB2 ALA A 90 3.250 5.724 6.816 1.00 1.24 H new ATOM 0 HB3 ALA A 90 3.574 4.869 5.289 1.00 1.24 H new ATOM 1316 N GLU A 91 6.088 2.830 6.673 1.00 10.43 N ATOM 1317 CA GLU A 91 6.680 1.644 6.159 1.00 12.31 C ATOM 1318 C GLU A 91 5.801 0.462 6.478 1.00 52.42 C ATOM 1319 O GLU A 91 5.289 0.324 7.598 1.00 3.51 O ATOM 1320 CB GLU A 91 8.134 1.456 6.650 1.00 22.13 C ATOM 1321 CG GLU A 91 8.305 1.522 8.149 1.00 30.33 C ATOM 1322 CD GLU A 91 9.739 1.383 8.588 1.00 3.32 C ATOM 1323 OE1 GLU A 91 10.566 2.229 8.211 1.00 50.52 O ATOM 1324 OE2 GLU A 91 10.066 0.454 9.365 1.00 32.40 O ATOM 0 H GLU A 91 5.735 2.747 7.626 1.00 10.43 H new ATOM 0 HA GLU A 91 6.752 1.731 5.075 1.00 12.31 H new ATOM 0 HB2 GLU A 91 8.501 0.492 6.298 1.00 22.13 H new ATOM 0 HB3 GLU A 91 8.760 2.222 6.192 1.00 22.13 H new ATOM 0 HG2 GLU A 91 7.911 2.471 8.512 1.00 30.33 H new ATOM 0 HG3 GLU A 91 7.712 0.733 8.611 1.00 30.33 H new ATOM 1331 N PHE A 92 5.598 -0.357 5.498 1.00 20.44 N ATOM 1332 CA PHE A 92 4.781 -1.517 5.636 1.00 64.41 C ATOM 1333 C PHE A 92 5.734 -2.657 5.705 1.00 72.12 C ATOM 1334 O PHE A 92 6.461 -2.945 4.741 1.00 33.44 O ATOM 1335 CB PHE A 92 3.865 -1.683 4.416 1.00 55.50 C ATOM 1336 CG PHE A 92 3.240 -0.391 3.948 1.00 23.13 C ATOM 1337 CD1 PHE A 92 2.398 0.325 4.771 1.00 63.23 C ATOM 1338 CD2 PHE A 92 3.516 0.108 2.687 1.00 42.20 C ATOM 1339 CE1 PHE A 92 1.841 1.515 4.353 1.00 50.00 C ATOM 1340 CE2 PHE A 92 2.957 1.296 2.262 1.00 11.43 C ATOM 1341 CZ PHE A 92 2.120 2.001 3.098 1.00 51.34 C ATOM 0 H PHE A 92 6.000 -0.237 4.568 1.00 20.44 H new ATOM 0 HA PHE A 92 4.140 -1.454 6.515 1.00 64.41 H new ATOM 0 HB2 PHE A 92 4.440 -2.116 3.597 1.00 55.50 H new ATOM 0 HB3 PHE A 92 3.074 -2.392 4.660 1.00 55.50 H new ATOM 0 HD1 PHE A 92 2.171 -0.051 5.758 1.00 63.23 H new ATOM 0 HD2 PHE A 92 4.176 -0.438 2.029 1.00 42.20 H new ATOM 0 HE1 PHE A 92 1.185 2.065 5.012 1.00 50.00 H new ATOM 0 HE2 PHE A 92 3.176 1.673 1.274 1.00 11.43 H new ATOM 0 HZ PHE A 92 1.684 2.933 2.769 1.00 51.34 H new ATOM 1351 N ARG A 93 5.787 -3.264 6.812 1.00 3.23 N ATOM 1352 CA ARG A 93 6.749 -4.262 7.042 1.00 42.11 C ATOM 1353 C ARG A 93 6.110 -5.599 7.073 1.00 75.23 C ATOM 1354 O ARG A 93 5.042 -5.782 7.660 1.00 55.41 O ATOM 1355 CB ARG A 93 7.480 -4.001 8.355 1.00 64.33 C ATOM 1356 CG ARG A 93 8.131 -2.633 8.427 1.00 1.24 C ATOM 1357 CD ARG A 93 8.852 -2.421 9.739 1.00 14.13 C ATOM 1358 NE ARG A 93 9.973 -3.352 9.913 1.00 71.13 N ATOM 1359 CZ ARG A 93 11.234 -2.985 10.184 1.00 55.33 C ATOM 1360 NH1 ARG A 93 11.590 -1.690 10.133 1.00 10.03 N ATOM 1361 NH2 ARG A 93 12.150 -3.919 10.442 1.00 73.11 N ATOM 0 H ARG A 93 5.160 -3.085 7.597 1.00 3.23 H new ATOM 0 HA ARG A 93 7.472 -4.239 6.227 1.00 42.11 H new ATOM 0 HB2 ARG A 93 6.775 -4.102 9.180 1.00 64.33 H new ATOM 0 HB3 ARG A 93 8.244 -4.766 8.494 1.00 64.33 H new ATOM 0 HG2 ARG A 93 8.836 -2.523 7.603 1.00 1.24 H new ATOM 0 HG3 ARG A 93 7.371 -1.862 8.302 1.00 1.24 H new ATOM 0 HD2 ARG A 93 9.222 -1.397 9.787 1.00 14.13 H new ATOM 0 HD3 ARG A 93 8.148 -2.545 10.562 1.00 14.13 H new ATOM 0 HE ARG A 93 9.779 -4.349 9.821 1.00 71.13 H new ATOM 0 HH11 ARG A 93 10.900 -0.981 9.887 1.00 10.03 H new ATOM 0 HH12 ARG A 93 12.551 -1.417 10.340 1.00 10.03 H new ATOM 0 HH21 ARG A 93 11.890 -4.905 10.432 1.00 73.11 H new ATOM 0 HH22 ARG A 93 13.111 -3.647 10.649 1.00 73.11 H new ATOM 1375 N ILE A 94 6.729 -6.517 6.431 1.00 54.33 N ATOM 1376 CA ILE A 94 6.307 -7.856 6.502 1.00 41.11 C ATOM 1377 C ILE A 94 7.313 -8.457 7.422 1.00 3.13 C ATOM 1378 O ILE A 94 8.500 -8.553 7.092 1.00 50.52 O ATOM 1379 CB ILE A 94 6.333 -8.596 5.108 1.00 20.41 C ATOM 1380 CG1 ILE A 94 5.300 -8.018 4.099 1.00 54.21 C ATOM 1381 CG2 ILE A 94 6.084 -10.092 5.285 1.00 74.50 C ATOM 1382 CD1 ILE A 94 5.524 -6.584 3.645 1.00 70.14 C ATOM 0 H ILE A 94 7.545 -6.356 5.840 1.00 54.33 H new ATOM 0 HA ILE A 94 5.272 -7.940 6.832 1.00 41.11 H new ATOM 0 HB ILE A 94 7.328 -8.432 4.695 1.00 20.41 H new ATOM 0 HG12 ILE A 94 5.290 -8.658 3.216 1.00 54.21 H new ATOM 0 HG13 ILE A 94 4.310 -8.082 4.550 1.00 54.21 H new ATOM 0 HG21 ILE A 94 6.106 -10.582 4.312 1.00 74.50 H new ATOM 0 HG22 ILE A 94 6.859 -10.517 5.923 1.00 74.50 H new ATOM 0 HG23 ILE A 94 5.109 -10.246 5.747 1.00 74.50 H new ATOM 0 HD11 ILE A 94 4.740 -6.297 2.945 1.00 70.14 H new ATOM 0 HD12 ILE A 94 5.499 -5.921 4.509 1.00 70.14 H new ATOM 0 HD13 ILE A 94 6.495 -6.505 3.155 1.00 70.14 H new ATOM 1394 N ASN A 95 6.878 -8.816 8.559 1.00 60.04 N ATOM 1395 CA ASN A 95 7.758 -9.254 9.580 1.00 44.05 C ATOM 1396 C ASN A 95 7.273 -10.555 10.109 1.00 52.13 C ATOM 1397 O ASN A 95 6.181 -10.639 10.638 1.00 35.25 O ATOM 1398 CB ASN A 95 7.765 -8.185 10.682 1.00 30.45 C ATOM 1399 CG ASN A 95 8.638 -8.513 11.871 1.00 64.04 C ATOM 1400 OD1 ASN A 95 9.636 -9.206 11.758 1.00 62.43 O ATOM 1401 ND2 ASN A 95 8.279 -7.996 13.011 1.00 10.45 N ATOM 0 H ASN A 95 5.892 -8.818 8.820 1.00 60.04 H new ATOM 0 HA ASN A 95 8.770 -9.393 9.201 1.00 44.05 H new ATOM 0 HB2 ASN A 95 8.099 -7.241 10.252 1.00 30.45 H new ATOM 0 HB3 ASN A 95 6.743 -8.033 11.029 1.00 30.45 H new ATOM 0 HD21 ASN A 95 8.839 -8.166 13.847 1.00 10.45 H new ATOM 0 HD22 ASN A 95 7.438 -7.421 13.068 1.00 10.45 H new ATOM 1408 N GLU A 96 8.086 -11.573 9.923 1.00 72.54 N ATOM 1409 CA GLU A 96 7.841 -12.937 10.395 1.00 45.13 C ATOM 1410 C GLU A 96 6.437 -13.448 9.978 1.00 72.15 C ATOM 1411 O GLU A 96 5.787 -14.212 10.705 1.00 63.13 O ATOM 1412 CB GLU A 96 8.012 -12.976 11.913 1.00 73.52 C ATOM 1413 CG GLU A 96 9.337 -12.385 12.394 1.00 31.23 C ATOM 1414 CD GLU A 96 10.557 -13.117 11.886 1.00 35.31 C ATOM 1415 OE1 GLU A 96 10.991 -12.889 10.727 1.00 64.42 O ATOM 1416 OE2 GLU A 96 11.125 -13.932 12.652 1.00 0.14 O ATOM 0 H GLU A 96 8.970 -11.480 9.422 1.00 72.54 H new ATOM 0 HA GLU A 96 8.566 -13.605 9.929 1.00 45.13 H new ATOM 0 HB2 GLU A 96 7.190 -12.430 12.377 1.00 73.52 H new ATOM 0 HB3 GLU A 96 7.940 -14.009 12.252 1.00 73.52 H new ATOM 0 HG2 GLU A 96 9.394 -11.343 12.079 1.00 31.23 H new ATOM 0 HG3 GLU A 96 9.351 -12.390 13.484 1.00 31.23 H new ATOM 1423 N GLY A 97 6.018 -13.080 8.776 1.00 3.22 N ATOM 1424 CA GLY A 97 4.721 -13.505 8.260 1.00 30.13 C ATOM 1425 C GLY A 97 3.567 -12.590 8.676 1.00 14.12 C ATOM 1426 O GLY A 97 2.421 -12.803 8.276 1.00 43.21 O ATOM 0 H GLY A 97 6.554 -12.490 8.140 1.00 3.22 H new ATOM 0 HA2 GLY A 97 4.768 -13.545 7.172 1.00 30.13 H new ATOM 0 HA3 GLY A 97 4.515 -14.517 8.608 1.00 30.13 H new ATOM 1430 N GLU A 98 3.859 -11.585 9.456 1.00 21.15 N ATOM 1431 CA GLU A 98 2.865 -10.632 9.877 1.00 44.40 C ATOM 1432 C GLU A 98 3.033 -9.379 9.055 1.00 52.12 C ATOM 1433 O GLU A 98 4.147 -9.035 8.672 1.00 23.43 O ATOM 1434 CB GLU A 98 3.068 -10.282 11.346 1.00 51.33 C ATOM 1435 CG GLU A 98 3.098 -11.480 12.264 1.00 12.41 C ATOM 1436 CD GLU A 98 3.368 -11.096 13.693 1.00 33.13 C ATOM 1437 OE1 GLU A 98 2.412 -10.776 14.434 1.00 63.13 O ATOM 1438 OE2 GLU A 98 4.544 -11.131 14.110 1.00 52.21 O ATOM 0 H GLU A 98 4.795 -11.402 9.819 1.00 21.15 H new ATOM 0 HA GLU A 98 1.870 -11.056 9.742 1.00 44.40 H new ATOM 0 HB2 GLU A 98 4.003 -9.732 11.452 1.00 51.33 H new ATOM 0 HB3 GLU A 98 2.268 -9.614 11.664 1.00 51.33 H new ATOM 0 HG2 GLU A 98 2.144 -12.005 12.205 1.00 12.41 H new ATOM 0 HG3 GLU A 98 3.866 -12.176 11.925 1.00 12.41 H new ATOM 1445 N PHE A 99 1.955 -8.725 8.758 1.00 15.15 N ATOM 1446 CA PHE A 99 2.016 -7.486 8.026 1.00 35.43 C ATOM 1447 C PHE A 99 1.767 -6.372 9.012 1.00 63.20 C ATOM 1448 O PHE A 99 0.701 -6.312 9.627 1.00 64.32 O ATOM 1449 CB PHE A 99 0.942 -7.435 6.926 1.00 23.41 C ATOM 1450 CG PHE A 99 1.027 -8.519 5.894 1.00 41.34 C ATOM 1451 CD1 PHE A 99 1.853 -8.382 4.798 1.00 63.04 C ATOM 1452 CD2 PHE A 99 0.272 -9.671 6.017 1.00 53.21 C ATOM 1453 CE1 PHE A 99 1.931 -9.375 3.840 1.00 12.44 C ATOM 1454 CE2 PHE A 99 0.343 -10.666 5.067 1.00 62.44 C ATOM 1455 CZ PHE A 99 1.174 -10.520 3.977 1.00 44.33 C ATOM 0 H PHE A 99 1.013 -9.025 9.010 1.00 15.15 H new ATOM 0 HA PHE A 99 2.990 -7.391 7.546 1.00 35.43 H new ATOM 0 HB2 PHE A 99 -0.040 -7.482 7.398 1.00 23.41 H new ATOM 0 HB3 PHE A 99 1.008 -6.471 6.422 1.00 23.41 H new ATOM 0 HD1 PHE A 99 2.447 -7.487 4.687 1.00 63.04 H new ATOM 0 HD2 PHE A 99 -0.381 -9.792 6.868 1.00 53.21 H new ATOM 0 HE1 PHE A 99 2.582 -9.255 2.987 1.00 12.44 H new ATOM 0 HE2 PHE A 99 -0.252 -11.560 5.176 1.00 62.44 H new ATOM 0 HZ PHE A 99 1.232 -11.300 3.232 1.00 44.33 H new ATOM 1465 N GLU A 100 2.719 -5.517 9.184 1.00 70.05 N ATOM 1466 CA GLU A 100 2.592 -4.456 10.139 1.00 44.25 C ATOM 1467 C GLU A 100 2.927 -3.119 9.518 1.00 30.24 C ATOM 1468 O GLU A 100 3.940 -2.967 8.831 1.00 63.33 O ATOM 1469 CB GLU A 100 3.424 -4.736 11.411 1.00 24.45 C ATOM 1470 CG GLU A 100 4.897 -5.047 11.165 1.00 74.10 C ATOM 1471 CD GLU A 100 5.667 -5.266 12.448 1.00 61.33 C ATOM 1472 OE1 GLU A 100 5.702 -6.415 12.963 1.00 32.33 O ATOM 1473 OE2 GLU A 100 6.239 -4.288 12.983 1.00 41.42 O ATOM 0 H GLU A 100 3.602 -5.529 8.674 1.00 70.05 H new ATOM 0 HA GLU A 100 1.549 -4.410 10.451 1.00 44.25 H new ATOM 0 HB2 GLU A 100 3.357 -3.869 12.069 1.00 24.45 H new ATOM 0 HB3 GLU A 100 2.975 -5.575 11.943 1.00 24.45 H new ATOM 0 HG2 GLU A 100 4.977 -5.937 10.541 1.00 74.10 H new ATOM 0 HG3 GLU A 100 5.350 -4.226 10.609 1.00 74.10 H new ATOM 1480 N VAL A 101 2.065 -2.170 9.723 1.00 33.51 N ATOM 1481 CA VAL A 101 2.271 -0.849 9.208 1.00 73.41 C ATOM 1482 C VAL A 101 2.710 0.020 10.338 1.00 41.43 C ATOM 1483 O VAL A 101 2.017 0.121 11.360 1.00 64.51 O ATOM 1484 CB VAL A 101 0.958 -0.251 8.643 1.00 44.34 C ATOM 1485 CG1 VAL A 101 1.178 1.152 8.077 1.00 0.53 C ATOM 1486 CG2 VAL A 101 0.339 -1.165 7.611 1.00 54.32 C ATOM 0 H VAL A 101 1.200 -2.288 10.251 1.00 33.51 H new ATOM 0 HA VAL A 101 3.011 -0.898 8.409 1.00 73.41 H new ATOM 0 HB VAL A 101 0.257 -0.163 9.473 1.00 44.34 H new ATOM 0 HG11 VAL A 101 0.236 1.540 7.690 1.00 0.53 H new ATOM 0 HG12 VAL A 101 1.544 1.809 8.866 1.00 0.53 H new ATOM 0 HG13 VAL A 101 1.911 1.109 7.271 1.00 0.53 H new ATOM 0 HG21 VAL A 101 -0.581 -0.718 7.234 1.00 54.32 H new ATOM 0 HG22 VAL A 101 1.037 -1.309 6.787 1.00 54.32 H new ATOM 0 HG23 VAL A 101 0.113 -2.129 8.067 1.00 54.32 H new ATOM 1496 N VAL A 102 3.841 0.618 10.189 1.00 51.52 N ATOM 1497 CA VAL A 102 4.307 1.543 11.149 1.00 15.33 C ATOM 1498 C VAL A 102 4.520 2.900 10.527 1.00 0.41 C ATOM 1499 O VAL A 102 5.081 3.016 9.420 1.00 63.31 O ATOM 1500 CB VAL A 102 5.558 1.059 11.939 1.00 31.24 C ATOM 1501 CG1 VAL A 102 5.206 -0.123 12.820 1.00 65.44 C ATOM 1502 CG2 VAL A 102 6.693 0.682 11.016 1.00 54.03 C ATOM 0 H VAL A 102 4.466 0.476 9.395 1.00 51.52 H new ATOM 0 HA VAL A 102 3.520 1.627 11.898 1.00 15.33 H new ATOM 0 HB VAL A 102 5.888 1.891 12.561 1.00 31.24 H new ATOM 0 HG11 VAL A 102 6.093 -0.448 13.365 1.00 65.44 H new ATOM 0 HG12 VAL A 102 4.432 0.170 13.529 1.00 65.44 H new ATOM 0 HG13 VAL A 102 4.840 -0.942 12.201 1.00 65.44 H new ATOM 0 HG21 VAL A 102 7.547 0.350 11.606 1.00 54.03 H new ATOM 0 HG22 VAL A 102 6.373 -0.124 10.356 1.00 54.03 H new ATOM 0 HG23 VAL A 102 6.979 1.548 10.419 1.00 54.03 H new ATOM 1512 N ASP A 103 4.026 3.899 11.185 1.00 1.25 N ATOM 1513 CA ASP A 103 4.228 5.270 10.768 1.00 73.20 C ATOM 1514 C ASP A 103 5.606 5.681 11.238 1.00 15.20 C ATOM 1515 O ASP A 103 5.991 5.379 12.385 1.00 21.40 O ATOM 1516 CB ASP A 103 3.160 6.183 11.395 1.00 55.50 C ATOM 1517 CG ASP A 103 3.293 7.644 10.998 1.00 14.51 C ATOM 1518 OD1 ASP A 103 4.248 8.317 11.460 1.00 75.33 O ATOM 1519 OD2 ASP A 103 2.430 8.149 10.248 1.00 5.30 O ATOM 0 H ASP A 103 3.467 3.798 12.032 1.00 1.25 H new ATOM 0 HA ASP A 103 4.145 5.359 9.685 1.00 73.20 H new ATOM 0 HB2 ASP A 103 2.173 5.825 11.103 1.00 55.50 H new ATOM 0 HB3 ASP A 103 3.220 6.104 12.481 1.00 55.50 H new ATOM 1524 N VAL A 104 6.361 6.320 10.383 1.00 63.24 N ATOM 1525 CA VAL A 104 7.719 6.719 10.717 1.00 22.21 C ATOM 1526 C VAL A 104 7.957 8.185 10.394 1.00 73.02 C ATOM 1527 O VAL A 104 9.094 8.676 10.420 1.00 2.34 O ATOM 1528 CB VAL A 104 8.782 5.824 10.012 1.00 21.03 C ATOM 1529 CG1 VAL A 104 8.710 4.404 10.543 1.00 71.04 C ATOM 1530 CG2 VAL A 104 8.593 5.824 8.499 1.00 61.21 C ATOM 0 H VAL A 104 6.064 6.580 9.443 1.00 63.24 H new ATOM 0 HA VAL A 104 7.833 6.580 11.792 1.00 22.21 H new ATOM 0 HB VAL A 104 9.765 6.240 10.231 1.00 21.03 H new ATOM 0 HG11 VAL A 104 9.458 3.790 10.042 1.00 71.04 H new ATOM 0 HG12 VAL A 104 8.902 4.407 11.616 1.00 71.04 H new ATOM 0 HG13 VAL A 104 7.718 3.994 10.353 1.00 71.04 H new ATOM 0 HG21 VAL A 104 9.350 5.190 8.038 1.00 61.21 H new ATOM 0 HG22 VAL A 104 7.602 5.440 8.256 1.00 61.21 H new ATOM 0 HG23 VAL A 104 8.691 6.841 8.120 1.00 61.21 H new ATOM 1540 N GLY A 105 6.889 8.886 10.153 1.00 21.53 N ATOM 1541 CA GLY A 105 6.971 10.267 9.822 1.00 62.11 C ATOM 1542 C GLY A 105 5.609 10.861 9.766 1.00 35.51 C ATOM 1543 O GLY A 105 5.072 11.087 8.676 1.00 64.22 O ATOM 0 H GLY A 105 5.940 8.512 10.182 1.00 21.53 H new ATOM 0 HA2 GLY A 105 7.575 10.791 10.563 1.00 62.11 H new ATOM 0 HA3 GLY A 105 7.469 10.389 8.860 1.00 62.11 H new ATOM 1547 N SER A 106 5.025 11.079 10.939 1.00 63.14 N ATOM 1548 CA SER A 106 3.690 11.627 11.065 1.00 11.51 C ATOM 1549 C SER A 106 3.559 13.065 10.542 1.00 11.23 C ATOM 1550 O SER A 106 3.570 14.036 11.298 1.00 13.02 O ATOM 1551 CB SER A 106 3.162 11.509 12.498 1.00 53.42 C ATOM 1552 OG SER A 106 3.077 10.149 12.912 1.00 73.33 O ATOM 0 H SER A 106 5.473 10.877 11.833 1.00 63.14 H new ATOM 0 HA SER A 106 3.063 11.014 10.417 1.00 11.51 H new ATOM 0 HB2 SER A 106 3.818 12.056 13.175 1.00 53.42 H new ATOM 0 HB3 SER A 106 2.178 11.973 12.564 1.00 53.42 H new ATOM 0 HG SER A 106 3.763 9.623 12.450 1.00 73.33 H new ATOM 1558 N LEU A 107 3.539 13.173 9.251 1.00 54.35 N ATOM 1559 CA LEU A 107 3.238 14.389 8.558 1.00 12.32 C ATOM 1560 C LEU A 107 1.735 14.472 8.453 1.00 52.21 C ATOM 1561 O LEU A 107 1.113 15.483 8.777 1.00 42.43 O ATOM 1562 CB LEU A 107 3.882 14.320 7.169 1.00 45.21 C ATOM 1563 CG LEU A 107 3.504 15.396 6.154 1.00 64.33 C ATOM 1564 CD1 LEU A 107 3.811 16.782 6.667 1.00 3.31 C ATOM 1565 CD2 LEU A 107 4.232 15.147 4.862 1.00 43.00 C ATOM 0 H LEU A 107 3.738 12.391 8.628 1.00 54.35 H new ATOM 0 HA LEU A 107 3.621 15.269 9.074 1.00 12.32 H new ATOM 0 HB2 LEU A 107 4.964 14.348 7.300 1.00 45.21 H new ATOM 0 HB3 LEU A 107 3.639 13.350 6.735 1.00 45.21 H new ATOM 0 HG LEU A 107 2.428 15.341 5.987 1.00 64.33 H new ATOM 0 HD11 LEU A 107 3.528 17.519 5.916 1.00 3.31 H new ATOM 0 HD12 LEU A 107 3.249 16.963 7.583 1.00 3.31 H new ATOM 0 HD13 LEU A 107 4.878 16.866 6.873 1.00 3.31 H new ATOM 0 HD21 LEU A 107 3.962 15.916 4.138 1.00 43.00 H new ATOM 0 HD22 LEU A 107 5.307 15.177 5.039 1.00 43.00 H new ATOM 0 HD23 LEU A 107 3.956 14.168 4.472 1.00 43.00 H new ATOM 1577 N ASN A 108 1.171 13.372 8.030 1.00 10.20 N ATOM 1578 CA ASN A 108 -0.260 13.231 7.922 1.00 2.51 C ATOM 1579 C ASN A 108 -0.747 12.342 9.054 1.00 44.21 C ATOM 1580 O ASN A 108 -1.886 12.444 9.485 1.00 54.23 O ATOM 1581 CB ASN A 108 -0.575 12.562 6.572 1.00 14.21 C ATOM 1582 CG ASN A 108 -2.045 12.240 6.308 1.00 63.41 C ATOM 1583 OD1 ASN A 108 -2.343 11.233 5.692 1.00 22.33 O ATOM 1584 ND2 ASN A 108 -2.945 13.091 6.688 1.00 51.43 N ATOM 0 H ASN A 108 1.693 12.542 7.748 1.00 10.20 H new ATOM 0 HA ASN A 108 -0.752 14.202 7.982 1.00 2.51 H new ATOM 0 HB2 ASN A 108 -0.218 13.214 5.775 1.00 14.21 H new ATOM 0 HB3 ASN A 108 -0.004 11.636 6.506 1.00 14.21 H new ATOM 0 HD21 ASN A 108 -3.928 12.924 6.472 1.00 51.43 H new ATOM 0 HD22 ASN A 108 -2.671 13.928 7.203 1.00 51.43 H new ATOM 1591 N GLY A 109 0.182 11.565 9.620 1.00 2.22 N ATOM 1592 CA GLY A 109 -0.186 10.561 10.598 1.00 32.20 C ATOM 1593 C GLY A 109 -0.933 9.469 9.893 1.00 31.31 C ATOM 1594 O GLY A 109 -2.111 9.603 9.652 1.00 73.05 O ATOM 0 H GLY A 109 1.180 11.617 9.415 1.00 2.22 H new ATOM 0 HA2 GLY A 109 0.704 10.160 11.084 1.00 32.20 H new ATOM 0 HA3 GLY A 109 -0.805 11.001 11.380 1.00 32.20 H new ATOM 1598 N THR A 110 -0.254 8.404 9.590 1.00 11.02 N ATOM 1599 CA THR A 110 -0.776 7.363 8.724 1.00 61.24 C ATOM 1600 C THR A 110 -2.073 6.713 9.275 1.00 55.05 C ATOM 1601 O THR A 110 -2.173 6.353 10.454 1.00 13.04 O ATOM 1602 CB THR A 110 0.323 6.305 8.508 1.00 40.11 C ATOM 1603 OG1 THR A 110 1.507 6.968 8.029 1.00 30.53 O ATOM 1604 CG2 THR A 110 -0.102 5.250 7.498 1.00 24.25 C ATOM 0 H THR A 110 0.688 8.221 9.935 1.00 11.02 H new ATOM 0 HA THR A 110 -1.054 7.818 7.773 1.00 61.24 H new ATOM 0 HB THR A 110 0.511 5.802 9.457 1.00 40.11 H new ATOM 0 HG1 THR A 110 2.013 7.323 8.789 1.00 30.53 H new ATOM 0 HG21 THR A 110 0.700 4.522 7.373 1.00 24.25 H new ATOM 0 HG22 THR A 110 -0.999 4.744 7.856 1.00 24.25 H new ATOM 0 HG23 THR A 110 -0.312 5.727 6.540 1.00 24.25 H new ATOM 1612 N TYR A 111 -3.061 6.590 8.402 1.00 71.30 N ATOM 1613 CA TYR A 111 -4.346 6.050 8.760 1.00 10.24 C ATOM 1614 C TYR A 111 -4.424 4.624 8.279 1.00 12.43 C ATOM 1615 O TYR A 111 -4.189 4.357 7.123 1.00 64.41 O ATOM 1616 CB TYR A 111 -5.470 6.883 8.109 1.00 74.20 C ATOM 1617 CG TYR A 111 -5.509 8.329 8.564 1.00 61.03 C ATOM 1618 CD1 TYR A 111 -4.671 9.284 8.006 1.00 73.33 C ATOM 1619 CD2 TYR A 111 -6.367 8.727 9.569 1.00 23.51 C ATOM 1620 CE1 TYR A 111 -4.683 10.588 8.450 1.00 72.45 C ATOM 1621 CE2 TYR A 111 -6.392 10.034 10.007 1.00 4.40 C ATOM 1622 CZ TYR A 111 -5.546 10.955 9.452 1.00 43.15 C ATOM 1623 OH TYR A 111 -5.551 12.256 9.915 1.00 62.34 O ATOM 0 H TYR A 111 -2.985 6.866 7.423 1.00 71.30 H new ATOM 0 HA TYR A 111 -4.469 6.084 9.842 1.00 10.24 H new ATOM 0 HB2 TYR A 111 -5.347 6.857 7.026 1.00 74.20 H new ATOM 0 HB3 TYR A 111 -6.430 6.417 8.332 1.00 74.20 H new ATOM 0 HD1 TYR A 111 -3.998 9.000 7.210 1.00 73.33 H new ATOM 0 HD2 TYR A 111 -7.030 8.003 10.020 1.00 23.51 H new ATOM 0 HE1 TYR A 111 -4.017 11.317 8.012 1.00 72.45 H new ATOM 0 HE2 TYR A 111 -7.078 10.330 10.787 1.00 4.40 H new ATOM 0 HH TYR A 111 -6.221 12.348 10.624 1.00 62.34 H new ATOM 1633 N VAL A 112 -4.750 3.727 9.175 1.00 63.14 N ATOM 1634 CA VAL A 112 -4.812 2.292 8.904 1.00 13.34 C ATOM 1635 C VAL A 112 -6.135 1.799 9.481 1.00 73.15 C ATOM 1636 O VAL A 112 -6.508 2.229 10.594 1.00 45.01 O ATOM 1637 CB VAL A 112 -3.618 1.531 9.580 1.00 1.20 C ATOM 1638 CG1 VAL A 112 -3.625 0.059 9.224 1.00 25.22 C ATOM 1639 CG2 VAL A 112 -2.279 2.150 9.201 1.00 60.35 C ATOM 0 H VAL A 112 -4.987 3.968 10.137 1.00 63.14 H new ATOM 0 HA VAL A 112 -4.743 2.105 7.832 1.00 13.34 H new ATOM 0 HB VAL A 112 -3.752 1.626 10.658 1.00 1.20 H new ATOM 0 HG11 VAL A 112 -2.784 -0.437 9.709 1.00 25.22 H new ATOM 0 HG12 VAL A 112 -4.557 -0.393 9.563 1.00 25.22 H new ATOM 0 HG13 VAL A 112 -3.538 -0.054 8.143 1.00 25.22 H new ATOM 0 HG21 VAL A 112 -1.473 1.599 9.686 1.00 60.35 H new ATOM 0 HG22 VAL A 112 -2.150 2.104 8.120 1.00 60.35 H new ATOM 0 HG23 VAL A 112 -2.254 3.190 9.526 1.00 60.35 H new ATOM 1649 N ASN A 113 -6.843 0.929 8.753 1.00 63.02 N ATOM 1650 CA ASN A 113 -8.222 0.504 9.101 1.00 14.05 C ATOM 1651 C ASN A 113 -9.119 1.710 9.183 1.00 64.21 C ATOM 1652 O ASN A 113 -10.024 1.771 10.010 1.00 41.43 O ATOM 1653 CB ASN A 113 -8.290 -0.266 10.448 1.00 1.32 C ATOM 1654 CG ASN A 113 -7.854 -1.715 10.389 1.00 10.41 C ATOM 1655 OD1 ASN A 113 -8.187 -2.401 9.330 1.00 32.31 O flip ATOM 1656 ND2 ASN A 113 -7.285 -2.236 11.354 1.00 14.41 N flip ATOM 0 H ASN A 113 -6.484 0.494 7.903 1.00 63.02 H new ATOM 0 HA ASN A 113 -8.553 -0.173 8.314 1.00 14.05 H new ATOM 0 HB2 ASN A 113 -7.668 0.254 11.176 1.00 1.32 H new ATOM 0 HB3 ASN A 113 -9.314 -0.227 10.818 1.00 1.32 H new ATOM 0 HD21 ASN A 113 -7.038 -1.671 12.167 1.00 14.41 H new ATOM 0 HD22 ASN A 113 -7.062 -3.231 11.338 1.00 14.41 H new ATOM 1663 N ARG A 114 -8.876 2.658 8.261 1.00 22.14 N ATOM 1664 CA ARG A 114 -9.666 3.891 8.128 1.00 62.24 C ATOM 1665 C ARG A 114 -9.638 4.737 9.422 1.00 32.54 C ATOM 1666 O ARG A 114 -10.562 5.496 9.673 1.00 32.32 O ATOM 1667 CB ARG A 114 -11.123 3.550 7.772 1.00 65.35 C ATOM 1668 CG ARG A 114 -11.302 2.701 6.522 1.00 3.35 C ATOM 1669 CD ARG A 114 -12.757 2.331 6.365 1.00 64.13 C ATOM 1670 NE ARG A 114 -13.009 1.418 5.245 1.00 30.32 N ATOM 1671 CZ ARG A 114 -14.050 0.586 5.181 1.00 70.22 C ATOM 1672 NH1 ARG A 114 -14.813 0.401 6.245 1.00 75.50 N ATOM 1673 NH2 ARG A 114 -14.277 -0.108 4.083 1.00 15.21 N ATOM 0 H ARG A 114 -8.118 2.588 7.582 1.00 22.14 H new ATOM 0 HA ARG A 114 -9.216 4.480 7.329 1.00 62.24 H new ATOM 0 HB2 ARG A 114 -11.573 3.026 8.615 1.00 65.35 H new ATOM 0 HB3 ARG A 114 -11.676 4.480 7.642 1.00 65.35 H new ATOM 0 HG2 ARG A 114 -10.959 3.250 5.645 1.00 3.35 H new ATOM 0 HG3 ARG A 114 -10.693 1.800 6.592 1.00 3.35 H new ATOM 0 HD2 ARG A 114 -13.108 1.868 7.287 1.00 64.13 H new ATOM 0 HD3 ARG A 114 -13.342 3.240 6.222 1.00 64.13 H new ATOM 0 HE ARG A 114 -12.348 1.419 4.468 1.00 30.32 H new ATOM 0 HH11 ARG A 114 -14.605 0.894 7.113 1.00 75.50 H new ATOM 0 HH12 ARG A 114 -15.609 -0.235 6.197 1.00 75.50 H new ATOM 0 HH21 ARG A 114 -13.656 -0.009 3.280 1.00 15.21 H new ATOM 0 HH22 ARG A 114 -15.074 -0.743 4.037 1.00 15.21 H new ATOM 1687 N GLU A 115 -8.584 4.600 10.224 1.00 55.15 N ATOM 1688 CA GLU A 115 -8.443 5.346 11.473 1.00 32.33 C ATOM 1689 C GLU A 115 -7.008 5.825 11.645 1.00 51.04 C ATOM 1690 O GLU A 115 -6.090 5.187 11.122 1.00 2.32 O ATOM 1691 CB GLU A 115 -8.783 4.455 12.668 1.00 42.02 C ATOM 1692 CG GLU A 115 -10.225 4.036 12.774 1.00 45.32 C ATOM 1693 CD GLU A 115 -10.445 3.107 13.927 1.00 52.44 C ATOM 1694 OE1 GLU A 115 -10.381 3.557 15.093 1.00 14.35 O ATOM 1695 OE2 GLU A 115 -10.691 1.903 13.696 1.00 64.34 O ATOM 0 H GLU A 115 -7.806 3.971 10.027 1.00 55.15 H new ATOM 0 HA GLU A 115 -9.124 6.196 11.429 1.00 32.33 H new ATOM 0 HB2 GLU A 115 -8.165 3.559 12.618 1.00 42.02 H new ATOM 0 HB3 GLU A 115 -8.508 4.982 13.582 1.00 42.02 H new ATOM 0 HG2 GLU A 115 -10.853 4.919 12.892 1.00 45.32 H new ATOM 0 HG3 GLU A 115 -10.532 3.548 11.849 1.00 45.32 H new ATOM 1702 N PRO A 116 -6.789 6.944 12.384 1.00 3.10 N ATOM 1703 CA PRO A 116 -5.434 7.433 12.691 1.00 13.21 C ATOM 1704 C PRO A 116 -4.665 6.365 13.458 1.00 31.13 C ATOM 1705 O PRO A 116 -5.174 5.811 14.458 1.00 32.54 O ATOM 1706 CB PRO A 116 -5.667 8.644 13.603 1.00 73.34 C ATOM 1707 CG PRO A 116 -7.095 9.040 13.416 1.00 50.10 C ATOM 1708 CD PRO A 116 -7.840 7.830 12.924 1.00 33.53 C ATOM 0 HA PRO A 116 -4.863 7.678 11.795 1.00 13.21 H new ATOM 0 HB2 PRO A 116 -5.467 8.391 14.644 1.00 73.34 H new ATOM 0 HB3 PRO A 116 -4.998 9.464 13.340 1.00 73.34 H new ATOM 0 HG2 PRO A 116 -7.520 9.396 14.354 1.00 50.10 H new ATOM 0 HG3 PRO A 116 -7.175 9.857 12.699 1.00 50.10 H new ATOM 0 HD2 PRO A 116 -8.390 7.347 13.731 1.00 33.53 H new ATOM 0 HD3 PRO A 116 -8.568 8.096 12.157 1.00 33.53 H new ATOM 1716 N ARG A 117 -3.472 6.058 13.006 1.00 33.34 N ATOM 1717 CA ARG A 117 -2.720 4.970 13.559 1.00 23.52 C ATOM 1718 C ARG A 117 -1.241 5.360 13.659 1.00 14.21 C ATOM 1719 O ARG A 117 -0.816 6.365 13.092 1.00 21.33 O ATOM 1720 CB ARG A 117 -2.864 3.781 12.603 1.00 44.41 C ATOM 1721 CG ARG A 117 -2.556 2.426 13.199 1.00 71.34 C ATOM 1722 CD ARG A 117 -3.661 1.987 14.146 1.00 13.02 C ATOM 1723 NE ARG A 117 -4.952 1.856 13.446 1.00 73.14 N ATOM 1724 CZ ARG A 117 -6.130 1.633 14.037 1.00 2.43 C ATOM 1725 NH1 ARG A 117 -6.203 1.523 15.359 1.00 14.31 N ATOM 1726 NH2 ARG A 117 -7.229 1.534 13.297 1.00 2.24 N ATOM 0 H ARG A 117 -3.003 6.555 12.249 1.00 33.34 H new ATOM 0 HA ARG A 117 -3.085 4.720 14.555 1.00 23.52 H new ATOM 0 HB2 ARG A 117 -3.884 3.767 12.220 1.00 44.41 H new ATOM 0 HB3 ARG A 117 -2.205 3.941 11.750 1.00 44.41 H new ATOM 0 HG2 ARG A 117 -2.441 1.691 12.402 1.00 71.34 H new ATOM 0 HG3 ARG A 117 -1.607 2.467 13.734 1.00 71.34 H new ATOM 0 HD2 ARG A 117 -3.394 1.033 14.601 1.00 13.02 H new ATOM 0 HD3 ARG A 117 -3.757 2.711 14.956 1.00 13.02 H new ATOM 0 HE ARG A 117 -4.946 1.942 12.430 1.00 73.14 H new ATOM 0 HH11 ARG A 117 -5.359 1.609 15.925 1.00 14.31 H new ATOM 0 HH12 ARG A 117 -7.103 1.353 15.808 1.00 14.31 H new ATOM 0 HH21 ARG A 117 -7.171 1.628 12.283 1.00 2.24 H new ATOM 0 HH22 ARG A 117 -8.130 1.364 13.743 1.00 2.24 H new ATOM 1740 N ASN A 118 -0.488 4.589 14.409 1.00 10.11 N ATOM 1741 CA ASN A 118 0.960 4.751 14.503 1.00 34.40 C ATOM 1742 C ASN A 118 1.632 3.431 14.206 1.00 73.14 C ATOM 1743 O ASN A 118 2.636 3.378 13.505 1.00 65.41 O ATOM 1744 CB ASN A 118 1.400 5.291 15.870 1.00 0.14 C ATOM 1745 CG ASN A 118 1.019 6.745 16.082 1.00 75.30 C ATOM 1746 OD1 ASN A 118 -0.078 7.056 16.564 1.00 21.24 O ATOM 1747 ND2 ASN A 118 1.908 7.645 15.740 1.00 71.25 N ATOM 0 H ASN A 118 -0.856 3.826 14.977 1.00 10.11 H new ATOM 0 HA ASN A 118 1.265 5.493 13.765 1.00 34.40 H new ATOM 0 HB2 ASN A 118 0.950 4.685 16.656 1.00 0.14 H new ATOM 0 HB3 ASN A 118 2.481 5.186 15.965 1.00 0.14 H new ATOM 0 HD21 ASN A 118 1.705 8.636 15.868 1.00 71.25 H new ATOM 0 HD22 ASN A 118 2.802 7.354 15.345 1.00 71.25 H new ATOM 1754 N ALA A 119 1.071 2.364 14.730 1.00 10.02 N ATOM 1755 CA ALA A 119 1.541 1.029 14.448 1.00 44.02 C ATOM 1756 C ALA A 119 0.342 0.118 14.425 1.00 1.21 C ATOM 1757 O ALA A 119 -0.536 0.244 15.279 1.00 73.35 O ATOM 1758 CB ALA A 119 2.532 0.574 15.517 1.00 71.34 C ATOM 0 H ALA A 119 0.274 2.399 15.365 1.00 10.02 H new ATOM 0 HA ALA A 119 2.057 1.005 13.488 1.00 44.02 H new ATOM 0 HB1 ALA A 119 2.876 -0.435 15.288 1.00 71.34 H new ATOM 0 HB2 ALA A 119 3.385 1.253 15.535 1.00 71.34 H new ATOM 0 HB3 ALA A 119 2.044 0.579 16.491 1.00 71.34 H new ATOM 1764 N GLN A 120 0.266 -0.750 13.450 1.00 15.23 N ATOM 1765 CA GLN A 120 -0.866 -1.663 13.340 1.00 20.41 C ATOM 1766 C GLN A 120 -0.485 -2.937 12.618 1.00 41.33 C ATOM 1767 O GLN A 120 0.178 -2.887 11.588 1.00 21.11 O ATOM 1768 CB GLN A 120 -2.013 -0.985 12.567 1.00 72.33 C ATOM 1769 CG GLN A 120 -3.251 -1.856 12.349 1.00 1.15 C ATOM 1770 CD GLN A 120 -3.967 -2.207 13.635 1.00 63.50 C ATOM 1771 OE1 GLN A 120 -3.973 -1.430 14.590 1.00 60.43 O ATOM 1772 NE2 GLN A 120 -4.535 -3.382 13.687 1.00 63.51 N ATOM 0 H GLN A 120 0.968 -0.852 12.717 1.00 15.23 H new ATOM 0 HA GLN A 120 -1.183 -1.914 14.352 1.00 20.41 H new ATOM 0 HB2 GLN A 120 -2.311 -0.085 13.105 1.00 72.33 H new ATOM 0 HB3 GLN A 120 -1.637 -0.666 11.595 1.00 72.33 H new ATOM 0 HG2 GLN A 120 -3.942 -1.335 11.687 1.00 1.15 H new ATOM 0 HG3 GLN A 120 -2.956 -2.775 11.842 1.00 1.15 H new ATOM 0 HE21 GLN A 120 -4.509 -3.998 12.874 1.00 63.51 H new ATOM 0 HE22 GLN A 120 -5.005 -3.684 14.540 1.00 63.51 H new ATOM 1781 N VAL A 121 -0.876 -4.064 13.162 1.00 31.24 N ATOM 1782 CA VAL A 121 -0.783 -5.304 12.434 1.00 43.11 C ATOM 1783 C VAL A 121 -2.015 -5.320 11.542 1.00 3.51 C ATOM 1784 O VAL A 121 -3.152 -5.315 12.041 1.00 23.11 O ATOM 1785 CB VAL A 121 -0.775 -6.549 13.361 1.00 74.53 C ATOM 1786 CG1 VAL A 121 -0.573 -7.818 12.543 1.00 43.12 C ATOM 1787 CG2 VAL A 121 0.306 -6.425 14.425 1.00 23.22 C ATOM 0 H VAL A 121 -1.260 -4.147 14.103 1.00 31.24 H new ATOM 0 HA VAL A 121 0.153 -5.356 11.878 1.00 43.11 H new ATOM 0 HB VAL A 121 -1.741 -6.607 13.863 1.00 74.53 H new ATOM 0 HG11 VAL A 121 -0.570 -8.682 13.207 1.00 43.12 H new ATOM 0 HG12 VAL A 121 -1.383 -7.918 11.821 1.00 43.12 H new ATOM 0 HG13 VAL A 121 0.379 -7.763 12.015 1.00 43.12 H new ATOM 0 HG21 VAL A 121 0.292 -7.309 15.062 1.00 23.22 H new ATOM 0 HG22 VAL A 121 1.281 -6.339 13.945 1.00 23.22 H new ATOM 0 HG23 VAL A 121 0.120 -5.538 15.031 1.00 23.22 H new ATOM 1797 N MET A 122 -1.796 -5.287 10.264 1.00 45.13 N ATOM 1798 CA MET A 122 -2.868 -5.066 9.320 1.00 50.41 C ATOM 1799 C MET A 122 -3.516 -6.360 8.855 1.00 75.44 C ATOM 1800 O MET A 122 -2.877 -7.428 8.794 1.00 44.55 O ATOM 1801 CB MET A 122 -2.385 -4.231 8.134 1.00 23.02 C ATOM 1802 CG MET A 122 -1.486 -4.967 7.163 1.00 53.43 C ATOM 1803 SD MET A 122 -0.793 -3.894 5.896 1.00 0.21 S ATOM 1804 CE MET A 122 -2.264 -3.026 5.367 1.00 63.44 C ATOM 0 H MET A 122 -0.877 -5.411 9.839 1.00 45.13 H new ATOM 0 HA MET A 122 -3.641 -4.505 9.845 1.00 50.41 H new ATOM 0 HB2 MET A 122 -3.254 -3.859 7.592 1.00 23.02 H new ATOM 0 HB3 MET A 122 -1.850 -3.361 8.514 1.00 23.02 H new ATOM 0 HG2 MET A 122 -0.674 -5.440 7.715 1.00 53.43 H new ATOM 0 HG3 MET A 122 -2.053 -5.765 6.685 1.00 53.43 H new ATOM 0 HE1 MET A 122 -2.069 -2.524 4.419 1.00 63.44 H new ATOM 0 HE2 MET A 122 -3.080 -3.737 5.240 1.00 63.44 H new ATOM 0 HE3 MET A 122 -2.541 -2.287 6.119 1.00 63.44 H new ATOM 1814 N GLN A 123 -4.775 -6.251 8.545 1.00 21.43 N ATOM 1815 CA GLN A 123 -5.595 -7.354 8.103 1.00 35.11 C ATOM 1816 C GLN A 123 -5.869 -7.190 6.610 1.00 52.22 C ATOM 1817 O GLN A 123 -5.730 -6.105 6.080 1.00 53.32 O ATOM 1818 CB GLN A 123 -6.909 -7.374 8.876 1.00 63.25 C ATOM 1819 CG GLN A 123 -6.754 -7.451 10.389 1.00 55.30 C ATOM 1820 CD GLN A 123 -8.089 -7.508 11.104 1.00 54.15 C ATOM 1821 OE1 GLN A 123 -9.064 -8.040 10.592 1.00 32.54 O ATOM 1822 NE2 GLN A 123 -8.153 -6.946 12.274 1.00 53.23 N ATOM 0 H GLN A 123 -5.280 -5.366 8.593 1.00 21.43 H new ATOM 0 HA GLN A 123 -5.076 -8.295 8.284 1.00 35.11 H new ATOM 0 HB2 GLN A 123 -7.475 -6.476 8.627 1.00 63.25 H new ATOM 0 HB3 GLN A 123 -7.500 -8.227 8.541 1.00 63.25 H new ATOM 0 HG2 GLN A 123 -6.169 -8.333 10.647 1.00 55.30 H new ATOM 0 HG3 GLN A 123 -6.194 -6.584 10.739 1.00 55.30 H new ATOM 0 HE21 GLN A 123 -7.323 -6.510 12.676 1.00 53.23 H new ATOM 0 HE22 GLN A 123 -9.033 -6.941 12.790 1.00 53.23 H new ATOM 1831 N THR A 124 -6.198 -8.256 5.921 1.00 50.32 N ATOM 1832 CA THR A 124 -6.469 -8.144 4.502 1.00 73.22 C ATOM 1833 C THR A 124 -7.809 -7.394 4.286 1.00 35.31 C ATOM 1834 O THR A 124 -8.823 -7.731 4.886 1.00 53.31 O ATOM 1835 CB THR A 124 -6.437 -9.539 3.786 1.00 64.44 C ATOM 1836 OG1 THR A 124 -6.595 -9.380 2.382 1.00 53.52 O ATOM 1837 CG2 THR A 124 -7.500 -10.502 4.321 1.00 1.11 C ATOM 0 H THR A 124 -6.284 -9.196 6.307 1.00 50.32 H new ATOM 0 HA THR A 124 -5.675 -7.559 4.038 1.00 73.22 H new ATOM 0 HB THR A 124 -5.463 -9.978 4.000 1.00 64.44 H new ATOM 0 HG1 THR A 124 -7.174 -10.091 2.035 1.00 53.52 H new ATOM 0 HG21 THR A 124 -7.432 -11.451 3.790 1.00 1.11 H new ATOM 0 HG22 THR A 124 -7.336 -10.670 5.386 1.00 1.11 H new ATOM 0 HG23 THR A 124 -8.490 -10.072 4.169 1.00 1.11 H new ATOM 1845 N GLY A 125 -7.810 -6.404 3.425 1.00 71.40 N ATOM 1846 CA GLY A 125 -8.971 -5.549 3.278 1.00 20.02 C ATOM 1847 C GLY A 125 -8.780 -4.240 4.025 1.00 63.34 C ATOM 1848 O GLY A 125 -9.686 -3.391 4.075 1.00 23.25 O ATOM 0 H GLY A 125 -7.026 -6.169 2.817 1.00 71.40 H new ATOM 0 HA2 GLY A 125 -9.147 -5.347 2.221 1.00 20.02 H new ATOM 0 HA3 GLY A 125 -9.855 -6.062 3.656 1.00 20.02 H new ATOM 1852 N ASP A 126 -7.617 -4.101 4.638 1.00 74.33 N ATOM 1853 CA ASP A 126 -7.245 -2.896 5.380 1.00 32.22 C ATOM 1854 C ASP A 126 -7.034 -1.751 4.394 1.00 54.11 C ATOM 1855 O ASP A 126 -6.542 -1.965 3.265 1.00 72.43 O ATOM 1856 CB ASP A 126 -5.935 -3.136 6.131 1.00 35.43 C ATOM 1857 CG ASP A 126 -5.683 -2.178 7.274 1.00 4.41 C ATOM 1858 OD1 ASP A 126 -5.857 -0.944 7.104 1.00 64.34 O ATOM 1859 OD2 ASP A 126 -5.342 -2.667 8.368 1.00 33.32 O ATOM 0 H ASP A 126 -6.896 -4.822 4.638 1.00 74.33 H new ATOM 0 HA ASP A 126 -8.037 -2.650 6.088 1.00 32.22 H new ATOM 0 HB2 ASP A 126 -5.935 -4.154 6.520 1.00 35.43 H new ATOM 0 HB3 ASP A 126 -5.108 -3.065 5.425 1.00 35.43 H new ATOM 1864 N GLU A 127 -7.395 -0.565 4.795 1.00 11.51 N ATOM 1865 CA GLU A 127 -7.230 0.588 3.971 1.00 4.12 C ATOM 1866 C GLU A 127 -6.386 1.615 4.688 1.00 34.41 C ATOM 1867 O GLU A 127 -6.714 2.047 5.812 1.00 71.14 O ATOM 1868 CB GLU A 127 -8.576 1.176 3.573 1.00 74.24 C ATOM 1869 CG GLU A 127 -9.369 0.283 2.632 1.00 70.02 C ATOM 1870 CD GLU A 127 -10.691 0.867 2.213 1.00 0.24 C ATOM 1871 OE1 GLU A 127 -11.654 0.797 2.991 1.00 12.22 O ATOM 1872 OE2 GLU A 127 -10.812 1.368 1.076 1.00 14.21 O ATOM 0 H GLU A 127 -7.813 -0.375 5.706 1.00 11.51 H new ATOM 0 HA GLU A 127 -6.719 0.289 3.056 1.00 4.12 H new ATOM 0 HB2 GLU A 127 -9.165 1.358 4.472 1.00 74.24 H new ATOM 0 HB3 GLU A 127 -8.415 2.143 3.096 1.00 74.24 H new ATOM 0 HG2 GLU A 127 -8.771 0.086 1.742 1.00 70.02 H new ATOM 0 HG3 GLU A 127 -9.544 -0.677 3.118 1.00 70.02 H new ATOM 1879 N ILE A 128 -5.346 2.036 4.016 1.00 51.13 N ATOM 1880 CA ILE A 128 -4.373 2.957 4.551 1.00 21.32 C ATOM 1881 C ILE A 128 -4.515 4.289 3.839 1.00 71.22 C ATOM 1882 O ILE A 128 -4.274 4.377 2.644 1.00 52.54 O ATOM 1883 CB ILE A 128 -2.940 2.415 4.321 1.00 13.15 C ATOM 1884 CG1 ILE A 128 -2.790 1.031 4.957 1.00 63.02 C ATOM 1885 CG2 ILE A 128 -1.897 3.380 4.881 1.00 12.14 C ATOM 1886 CD1 ILE A 128 -1.460 0.377 4.677 1.00 63.12 C ATOM 0 H ILE A 128 -5.146 1.742 3.060 1.00 51.13 H new ATOM 0 HA ILE A 128 -4.543 3.076 5.621 1.00 21.32 H new ATOM 0 HB ILE A 128 -2.774 2.326 3.247 1.00 13.15 H new ATOM 0 HG12 ILE A 128 -2.921 1.120 6.035 1.00 63.02 H new ATOM 0 HG13 ILE A 128 -3.587 0.384 4.591 1.00 63.02 H new ATOM 0 HG21 ILE A 128 -0.899 2.978 4.708 1.00 12.14 H new ATOM 0 HG22 ILE A 128 -1.991 4.345 4.384 1.00 12.14 H new ATOM 0 HG23 ILE A 128 -2.056 3.506 5.952 1.00 12.14 H new ATOM 0 HD11 ILE A 128 -1.426 -0.600 5.159 1.00 63.12 H new ATOM 0 HD12 ILE A 128 -1.334 0.255 3.601 1.00 63.12 H new ATOM 0 HD13 ILE A 128 -0.657 1.002 5.068 1.00 63.12 H new ATOM 1898 N GLN A 129 -4.887 5.308 4.552 1.00 62.11 N ATOM 1899 CA GLN A 129 -5.131 6.592 3.943 1.00 51.13 C ATOM 1900 C GLN A 129 -3.976 7.538 4.263 1.00 42.53 C ATOM 1901 O GLN A 129 -3.613 7.716 5.430 1.00 65.15 O ATOM 1902 CB GLN A 129 -6.485 7.142 4.420 1.00 50.05 C ATOM 1903 CG GLN A 129 -7.012 8.318 3.616 1.00 51.43 C ATOM 1904 CD GLN A 129 -8.383 8.778 4.091 1.00 52.32 C ATOM 1905 OE1 GLN A 129 -8.721 8.667 5.261 1.00 1.52 O ATOM 1906 NE2 GLN A 129 -9.191 9.270 3.180 1.00 20.25 N ATOM 0 H GLN A 129 -5.030 5.281 5.562 1.00 62.11 H new ATOM 0 HA GLN A 129 -5.183 6.492 2.859 1.00 51.13 H new ATOM 0 HB2 GLN A 129 -7.220 6.338 4.387 1.00 50.05 H new ATOM 0 HB3 GLN A 129 -6.391 7.445 5.463 1.00 50.05 H new ATOM 0 HG2 GLN A 129 -6.309 9.148 3.687 1.00 51.43 H new ATOM 0 HG3 GLN A 129 -7.070 8.039 2.564 1.00 51.43 H new ATOM 0 HE21 GLN A 129 -8.880 9.350 2.212 1.00 20.25 H new ATOM 0 HE22 GLN A 129 -10.130 9.572 3.441 1.00 20.25 H new ATOM 1915 N ILE A 130 -3.363 8.075 3.218 1.00 2.31 N ATOM 1916 CA ILE A 130 -2.220 8.968 3.331 1.00 53.43 C ATOM 1917 C ILE A 130 -2.420 10.190 2.419 1.00 3.14 C ATOM 1918 O ILE A 130 -2.764 10.048 1.238 1.00 72.24 O ATOM 1919 CB ILE A 130 -0.879 8.245 2.957 1.00 64.04 C ATOM 1920 CG1 ILE A 130 -0.631 7.047 3.896 1.00 24.43 C ATOM 1921 CG2 ILE A 130 0.299 9.221 3.015 1.00 4.14 C ATOM 1922 CD1 ILE A 130 0.599 6.220 3.558 1.00 24.24 C ATOM 0 H ILE A 130 -3.650 7.900 2.255 1.00 2.31 H new ATOM 0 HA ILE A 130 -2.150 9.288 4.371 1.00 53.43 H new ATOM 0 HB ILE A 130 -0.966 7.874 1.936 1.00 64.04 H new ATOM 0 HG12 ILE A 130 -0.534 7.417 4.917 1.00 24.43 H new ATOM 0 HG13 ILE A 130 -1.506 6.398 3.874 1.00 24.43 H new ATOM 0 HG21 ILE A 130 1.218 8.698 2.752 1.00 4.14 H new ATOM 0 HG22 ILE A 130 0.131 10.036 2.311 1.00 4.14 H new ATOM 0 HG23 ILE A 130 0.387 9.625 4.023 1.00 4.14 H new ATOM 0 HD11 ILE A 130 0.693 5.400 4.270 1.00 24.24 H new ATOM 0 HD12 ILE A 130 0.500 5.816 2.551 1.00 24.24 H new ATOM 0 HD13 ILE A 130 1.487 6.850 3.610 1.00 24.24 H new ATOM 1934 N GLY A 131 -2.252 11.367 2.979 1.00 62.01 N ATOM 1935 CA GLY A 131 -2.375 12.600 2.231 1.00 30.20 C ATOM 1936 C GLY A 131 -3.813 12.985 2.122 1.00 13.01 C ATOM 1937 O GLY A 131 -4.323 13.766 2.929 1.00 22.31 O ATOM 0 H GLY A 131 -2.026 11.497 3.965 1.00 62.01 H new ATOM 0 HA2 GLY A 131 -1.813 13.393 2.725 1.00 30.20 H new ATOM 0 HA3 GLY A 131 -1.946 12.477 1.237 1.00 30.20 H new ATOM 1941 N LYS A 132 -4.457 12.457 1.126 1.00 50.24 N ATOM 1942 CA LYS A 132 -5.885 12.563 0.962 1.00 24.20 C ATOM 1943 C LYS A 132 -6.384 11.408 0.108 1.00 72.31 C ATOM 1944 O LYS A 132 -7.523 11.399 -0.344 1.00 35.23 O ATOM 1945 CB LYS A 132 -6.311 13.921 0.364 1.00 4.21 C ATOM 1946 CG LYS A 132 -5.712 14.242 -0.995 1.00 64.13 C ATOM 1947 CD LYS A 132 -6.198 15.588 -1.560 1.00 1.24 C ATOM 1948 CE LYS A 132 -7.652 15.568 -2.093 1.00 64.24 C ATOM 1949 NZ LYS A 132 -8.703 15.432 -1.048 1.00 42.51 N ATOM 0 H LYS A 132 -3.999 11.927 0.385 1.00 50.24 H new ATOM 0 HA LYS A 132 -6.342 12.508 1.950 1.00 24.20 H new ATOM 0 HB2 LYS A 132 -7.397 13.938 0.278 1.00 4.21 H new ATOM 0 HB3 LYS A 132 -6.034 14.711 1.062 1.00 4.21 H new ATOM 0 HG2 LYS A 132 -4.625 14.259 -0.913 1.00 64.13 H new ATOM 0 HG3 LYS A 132 -5.966 13.447 -1.696 1.00 64.13 H new ATOM 0 HD2 LYS A 132 -6.120 16.346 -0.780 1.00 1.24 H new ATOM 0 HD3 LYS A 132 -5.532 15.892 -2.367 1.00 1.24 H new ATOM 0 HE2 LYS A 132 -7.832 16.488 -2.650 1.00 64.24 H new ATOM 0 HE3 LYS A 132 -7.753 14.743 -2.798 1.00 64.24 H new ATOM 0 HZ1 LYS A 132 -9.521 16.023 -1.299 1.00 42.51 H new ATOM 0 HZ2 LYS A 132 -9.001 14.438 -0.983 1.00 42.51 H new ATOM 0 HZ3 LYS A 132 -8.322 15.740 -0.131 1.00 42.51 H new ATOM 1963 N PHE A 133 -5.540 10.409 -0.065 1.00 24.32 N ATOM 1964 CA PHE A 133 -5.862 9.263 -0.874 1.00 42.35 C ATOM 1965 C PHE A 133 -5.549 8.000 -0.096 1.00 13.23 C ATOM 1966 O PHE A 133 -4.949 8.078 0.966 1.00 32.42 O ATOM 1967 CB PHE A 133 -5.113 9.312 -2.217 1.00 12.32 C ATOM 1968 CG PHE A 133 -3.600 9.392 -2.140 1.00 61.43 C ATOM 1969 CD1 PHE A 133 -2.830 8.240 -2.059 1.00 34.11 C ATOM 1970 CD2 PHE A 133 -2.953 10.617 -2.190 1.00 43.24 C ATOM 1971 CE1 PHE A 133 -1.457 8.306 -2.028 1.00 70.31 C ATOM 1972 CE2 PHE A 133 -1.574 10.691 -2.151 1.00 13.04 C ATOM 1973 CZ PHE A 133 -0.822 9.530 -2.073 1.00 42.32 C ATOM 0 H PHE A 133 -4.611 10.375 0.355 1.00 24.32 H new ATOM 0 HA PHE A 133 -6.926 9.269 -1.109 1.00 42.35 H new ATOM 0 HB2 PHE A 133 -5.380 8.424 -2.790 1.00 12.32 H new ATOM 0 HB3 PHE A 133 -5.473 10.174 -2.778 1.00 12.32 H new ATOM 0 HD1 PHE A 133 -3.317 7.277 -2.020 1.00 34.11 H new ATOM 0 HD2 PHE A 133 -3.534 11.525 -2.260 1.00 43.24 H new ATOM 0 HE1 PHE A 133 -0.875 7.398 -1.968 1.00 70.31 H new ATOM 0 HE2 PHE A 133 -1.083 11.652 -2.181 1.00 13.04 H new ATOM 0 HZ PHE A 133 0.256 9.583 -2.048 1.00 42.32 H new ATOM 1983 N ARG A 134 -5.956 6.846 -0.583 1.00 72.15 N ATOM 1984 CA ARG A 134 -5.719 5.645 0.177 1.00 45.30 C ATOM 1985 C ARG A 134 -5.255 4.462 -0.634 1.00 35.03 C ATOM 1986 O ARG A 134 -5.543 4.339 -1.832 1.00 31.34 O ATOM 1987 CB ARG A 134 -6.878 5.282 1.101 1.00 54.01 C ATOM 1988 CG ARG A 134 -8.174 4.890 0.450 1.00 3.23 C ATOM 1989 CD ARG A 134 -9.193 4.673 1.537 1.00 34.01 C ATOM 1990 NE ARG A 134 -10.479 4.226 1.049 1.00 32.05 N ATOM 1991 CZ ARG A 134 -11.606 4.924 1.162 1.00 63.11 C ATOM 1992 NH1 ARG A 134 -11.566 6.220 1.495 1.00 15.32 N ATOM 1993 NH2 ARG A 134 -12.757 4.356 0.887 1.00 12.51 N ATOM 0 H ARG A 134 -6.437 6.718 -1.473 1.00 72.15 H new ATOM 0 HA ARG A 134 -4.871 5.905 0.810 1.00 45.30 H new ATOM 0 HB2 ARG A 134 -6.557 4.459 1.739 1.00 54.01 H new ATOM 0 HB3 ARG A 134 -7.071 6.134 1.753 1.00 54.01 H new ATOM 0 HG2 ARG A 134 -8.508 5.669 -0.235 1.00 3.23 H new ATOM 0 HG3 ARG A 134 -8.045 3.982 -0.139 1.00 3.23 H new ATOM 0 HD2 ARG A 134 -8.807 3.938 2.243 1.00 34.01 H new ATOM 0 HD3 ARG A 134 -9.327 5.604 2.088 1.00 34.01 H new ATOM 0 HE ARG A 134 -10.525 3.317 0.589 1.00 32.05 H new ATOM 0 HH11 ARG A 134 -10.669 6.676 1.663 1.00 15.32 H new ATOM 0 HH12 ARG A 134 -12.432 6.752 1.581 1.00 15.32 H new ATOM 0 HH21 ARG A 134 -12.786 3.381 0.587 1.00 12.51 H new ATOM 0 HH22 ARG A 134 -13.622 4.889 0.973 1.00 12.51 H new ATOM 2007 N LEU A 135 -4.492 3.646 0.025 1.00 34.21 N ATOM 2008 CA LEU A 135 -3.977 2.412 -0.481 1.00 52.33 C ATOM 2009 C LEU A 135 -4.826 1.311 0.140 1.00 0.54 C ATOM 2010 O LEU A 135 -5.114 1.354 1.339 1.00 1.03 O ATOM 2011 CB LEU A 135 -2.526 2.256 -0.010 1.00 40.40 C ATOM 2012 CG LEU A 135 -1.606 3.443 -0.313 1.00 70.12 C ATOM 2013 CD1 LEU A 135 -0.274 3.298 0.403 1.00 61.14 C ATOM 2014 CD2 LEU A 135 -1.381 3.586 -1.803 1.00 13.30 C ATOM 0 H LEU A 135 -4.196 3.834 0.983 1.00 34.21 H new ATOM 0 HA LEU A 135 -4.006 2.373 -1.570 1.00 52.33 H new ATOM 0 HB2 LEU A 135 -2.528 2.085 1.066 1.00 40.40 H new ATOM 0 HB3 LEU A 135 -2.105 1.364 -0.474 1.00 40.40 H new ATOM 0 HG LEU A 135 -2.099 4.343 0.053 1.00 70.12 H new ATOM 0 HD11 LEU A 135 0.359 4.154 0.170 1.00 61.14 H new ATOM 0 HD12 LEU A 135 -0.442 3.253 1.479 1.00 61.14 H new ATOM 0 HD13 LEU A 135 0.218 2.383 0.074 1.00 61.14 H new ATOM 0 HD21 LEU A 135 -0.725 4.436 -1.992 1.00 13.30 H new ATOM 0 HD22 LEU A 135 -0.919 2.678 -2.190 1.00 13.30 H new ATOM 0 HD23 LEU A 135 -2.337 3.748 -2.301 1.00 13.30 H new ATOM 2026 N VAL A 136 -5.240 0.373 -0.644 1.00 31.31 N ATOM 2027 CA VAL A 136 -6.076 -0.715 -0.159 1.00 53.41 C ATOM 2028 C VAL A 136 -5.269 -2.002 -0.216 1.00 73.41 C ATOM 2029 O VAL A 136 -4.745 -2.357 -1.262 1.00 34.41 O ATOM 2030 CB VAL A 136 -7.370 -0.869 -1.019 1.00 32.02 C ATOM 2031 CG1 VAL A 136 -8.311 -1.910 -0.422 1.00 22.10 C ATOM 2032 CG2 VAL A 136 -8.085 0.468 -1.179 1.00 43.21 C ATOM 0 H VAL A 136 -5.019 0.323 -1.638 1.00 31.31 H new ATOM 0 HA VAL A 136 -6.383 -0.496 0.864 1.00 53.41 H new ATOM 0 HB VAL A 136 -7.066 -1.215 -2.007 1.00 32.02 H new ATOM 0 HG11 VAL A 136 -9.202 -1.994 -1.044 1.00 22.10 H new ATOM 0 HG12 VAL A 136 -7.806 -2.875 -0.380 1.00 22.10 H new ATOM 0 HG13 VAL A 136 -8.598 -1.606 0.585 1.00 22.10 H new ATOM 0 HG21 VAL A 136 -8.982 0.331 -1.782 1.00 43.21 H new ATOM 0 HG22 VAL A 136 -8.363 0.852 -0.197 1.00 43.21 H new ATOM 0 HG23 VAL A 136 -7.422 1.179 -1.672 1.00 43.21 H new ATOM 2042 N PHE A 137 -5.151 -2.671 0.890 1.00 14.34 N ATOM 2043 CA PHE A 137 -4.339 -3.868 0.987 1.00 74.33 C ATOM 2044 C PHE A 137 -5.198 -5.116 0.881 1.00 14.15 C ATOM 2045 O PHE A 137 -6.153 -5.273 1.627 1.00 43.21 O ATOM 2046 CB PHE A 137 -3.600 -3.842 2.318 1.00 70.21 C ATOM 2047 CG PHE A 137 -2.767 -5.054 2.633 1.00 1.44 C ATOM 2048 CD1 PHE A 137 -1.489 -5.183 2.127 1.00 42.11 C ATOM 2049 CD2 PHE A 137 -3.262 -6.050 3.467 1.00 3.52 C ATOM 2050 CE1 PHE A 137 -0.723 -6.281 2.440 1.00 33.13 C ATOM 2051 CE2 PHE A 137 -2.500 -7.146 3.785 1.00 52.24 C ATOM 2052 CZ PHE A 137 -1.230 -7.264 3.272 1.00 11.00 C ATOM 0 H PHE A 137 -5.613 -2.409 1.761 1.00 14.34 H new ATOM 0 HA PHE A 137 -3.624 -3.891 0.164 1.00 74.33 H new ATOM 0 HB2 PHE A 137 -2.952 -2.966 2.334 1.00 70.21 H new ATOM 0 HB3 PHE A 137 -4.332 -3.712 3.115 1.00 70.21 H new ATOM 0 HD1 PHE A 137 -1.088 -4.416 1.481 1.00 42.11 H new ATOM 0 HD2 PHE A 137 -4.260 -5.960 3.870 1.00 3.52 H new ATOM 0 HE1 PHE A 137 0.274 -6.376 2.037 1.00 33.13 H new ATOM 0 HE2 PHE A 137 -2.896 -7.912 4.435 1.00 52.24 H new ATOM 0 HZ PHE A 137 -0.627 -8.125 3.519 1.00 11.00 H new ATOM 2062 N LEU A 138 -4.853 -5.996 -0.034 1.00 71.51 N ATOM 2063 CA LEU A 138 -5.579 -7.244 -0.222 1.00 55.45 C ATOM 2064 C LEU A 138 -4.595 -8.385 -0.339 1.00 70.23 C ATOM 2065 O LEU A 138 -3.469 -8.204 -0.837 1.00 1.55 O ATOM 2066 CB LEU A 138 -6.443 -7.260 -1.526 1.00 63.21 C ATOM 2067 CG LEU A 138 -7.600 -6.251 -1.699 1.00 11.44 C ATOM 2068 CD1 LEU A 138 -8.533 -6.234 -0.501 1.00 34.23 C ATOM 2069 CD2 LEU A 138 -7.098 -4.863 -2.061 1.00 64.53 C ATOM 0 H LEU A 138 -4.065 -5.872 -0.669 1.00 71.51 H new ATOM 0 HA LEU A 138 -6.238 -7.345 0.640 1.00 55.45 H new ATOM 0 HB2 LEU A 138 -5.763 -7.121 -2.367 1.00 63.21 H new ATOM 0 HB3 LEU A 138 -6.868 -8.259 -1.621 1.00 63.21 H new ATOM 0 HG LEU A 138 -8.193 -6.597 -2.545 1.00 11.44 H new ATOM 0 HD11 LEU A 138 -9.329 -5.509 -0.670 1.00 34.23 H new ATOM 0 HD12 LEU A 138 -8.967 -7.224 -0.364 1.00 34.23 H new ATOM 0 HD13 LEU A 138 -7.973 -5.956 0.392 1.00 34.23 H new ATOM 0 HD21 LEU A 138 -7.946 -4.187 -2.173 1.00 64.53 H new ATOM 0 HD22 LEU A 138 -6.443 -4.496 -1.271 1.00 64.53 H new ATOM 0 HD23 LEU A 138 -6.545 -4.909 -2.999 1.00 64.53 H new ATOM 2081 N ALA A 139 -4.979 -9.542 0.129 1.00 33.34 N ATOM 2082 CA ALA A 139 -4.210 -10.716 -0.135 1.00 32.12 C ATOM 2083 C ALA A 139 -4.517 -11.057 -1.570 1.00 4.42 C ATOM 2084 O ALA A 139 -5.667 -11.337 -1.914 1.00 73.31 O ATOM 2085 CB ALA A 139 -4.612 -11.853 0.798 1.00 35.42 C ATOM 0 H ALA A 139 -5.816 -9.691 0.692 1.00 33.34 H new ATOM 0 HA ALA A 139 -3.144 -10.557 0.030 1.00 32.12 H new ATOM 0 HB1 ALA A 139 -4.012 -12.735 0.576 1.00 35.42 H new ATOM 0 HB2 ALA A 139 -4.445 -11.551 1.832 1.00 35.42 H new ATOM 0 HB3 ALA A 139 -5.667 -12.086 0.654 1.00 35.42 H new ATOM 2091 N GLY A 140 -3.526 -11.052 -2.399 1.00 43.52 N ATOM 2092 CA GLY A 140 -3.806 -11.142 -3.796 1.00 11.33 C ATOM 2093 C GLY A 140 -3.143 -12.285 -4.471 1.00 2.23 C ATOM 2094 O GLY A 140 -3.765 -13.335 -4.643 1.00 3.30 O ATOM 0 H GLY A 140 -2.540 -10.988 -2.145 1.00 43.52 H new ATOM 0 HA2 GLY A 140 -4.884 -11.226 -3.936 1.00 11.33 H new ATOM 0 HA3 GLY A 140 -3.493 -10.216 -4.279 1.00 11.33 H new ATOM 2098 N PRO A 141 -1.873 -12.137 -4.851 1.00 12.25 N ATOM 2099 CA PRO A 141 -1.201 -13.135 -5.630 1.00 24.21 C ATOM 2100 C PRO A 141 -0.914 -14.410 -4.873 1.00 2.31 C ATOM 2101 O PRO A 141 -0.582 -14.405 -3.687 1.00 3.11 O ATOM 2102 CB PRO A 141 0.080 -12.468 -6.107 1.00 52.43 C ATOM 2103 CG PRO A 141 0.329 -11.355 -5.153 1.00 21.33 C ATOM 2104 CD PRO A 141 -0.996 -10.996 -4.537 1.00 64.14 C ATOM 0 HA PRO A 141 -1.836 -13.462 -6.454 1.00 24.21 H new ATOM 0 HB2 PRO A 141 0.911 -13.173 -6.112 1.00 52.43 H new ATOM 0 HB3 PRO A 141 -0.028 -12.095 -7.125 1.00 52.43 H new ATOM 0 HG2 PRO A 141 1.041 -11.658 -4.385 1.00 21.33 H new ATOM 0 HG3 PRO A 141 0.760 -10.496 -5.667 1.00 21.33 H new ATOM 0 HD2 PRO A 141 -0.906 -10.850 -3.461 1.00 64.14 H new ATOM 0 HD3 PRO A 141 -1.388 -10.068 -4.953 1.00 64.14 H new ATOM 2112 N ALA A 142 -1.054 -15.466 -5.590 1.00 3.12 N ATOM 2113 CA ALA A 142 -0.831 -16.819 -5.150 1.00 40.11 C ATOM 2114 C ALA A 142 -0.186 -17.490 -6.331 1.00 13.35 C ATOM 2115 O ALA A 142 -0.395 -18.675 -6.624 1.00 65.10 O ATOM 2116 CB ALA A 142 -2.170 -17.471 -4.821 1.00 41.15 C ATOM 0 H ALA A 142 -1.346 -15.418 -6.566 1.00 3.12 H new ATOM 0 HA ALA A 142 -0.213 -16.886 -4.255 1.00 40.11 H new ATOM 0 HB1 ALA A 142 -2.004 -18.495 -4.488 1.00 41.15 H new ATOM 0 HB2 ALA A 142 -2.664 -16.908 -4.030 1.00 41.15 H new ATOM 0 HB3 ALA A 142 -2.800 -17.477 -5.710 1.00 41.15 H new ATOM 2122 N GLU A 143 0.632 -16.691 -6.973 1.00 12.20 N ATOM 2123 CA GLU A 143 1.249 -16.976 -8.229 1.00 32.53 C ATOM 2124 C GLU A 143 2.304 -18.048 -8.051 1.00 32.33 C ATOM 2125 O GLU A 143 2.126 -19.168 -8.570 1.00 38.85 O ATOM 2126 CB GLU A 143 1.867 -15.681 -8.768 1.00 71.11 C ATOM 2127 CG GLU A 143 1.950 -15.609 -10.275 1.00 51.25 C ATOM 2128 CD GLU A 143 0.581 -15.690 -10.903 1.00 70.10 C ATOM 2129 OE1 GLU A 143 -0.211 -14.714 -10.796 1.00 4.34 O ATOM 2130 OE2 GLU A 143 0.261 -16.722 -11.509 1.00 21.14 O ATOM 2131 OXT GLU A 143 3.280 -17.809 -7.323 1.00 38.85 O ATOM 0 H GLU A 143 0.894 -15.776 -6.606 1.00 12.20 H new ATOM 0 HA GLU A 143 0.512 -17.347 -8.941 1.00 32.53 H new ATOM 0 HB2 GLU A 143 1.281 -14.836 -8.408 1.00 71.11 H new ATOM 0 HB3 GLU A 143 2.870 -15.572 -8.355 1.00 71.11 H new ATOM 0 HG2 GLU A 143 2.434 -14.678 -10.571 1.00 51.25 H new ATOM 0 HG3 GLU A 143 2.572 -16.423 -10.647 1.00 51.25 H new