USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 725 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 30 ASN : amide:sc= -1.37! C(o=-1.4!,f=-8.1!) USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.77 K(o=-1.8,f=-4.4!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.278 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-7.1!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 63 SER OG : rot 180:sc= -0.215 USER MOD Single : A 67 SER OG : rot 35:sc= 0.973 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.6!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 79 SER OG : rot -26:sc= 0.194 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0538 K(o=-0.054,f=-1.9!) USER MOD Single : A 88 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-2.2!) USER MOD Single : A 89 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 92 CYS SG : rot 119:sc= -0.678 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -29:sc= -0.562 USER MOD Single : A 108 SER OG : rot -140:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 199 N ALA A 17 -13.994 6.955 10.488 1.00 0.00 N ATOM 200 CA ALA A 17 -12.871 6.390 9.750 1.00 0.00 C ATOM 201 C ALA A 17 -11.666 7.324 9.786 1.00 0.00 C ATOM 202 O ALA A 17 -11.798 8.544 9.886 1.00 0.00 O ATOM 203 CB ALA A 17 -13.276 6.102 8.312 1.00 0.00 C ATOM 0 HA ALA A 17 -12.586 5.454 10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.428 5.680 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.102 5.391 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.589 7.028 7.830 1.00 0.00 H new ATOM 209 N PRO A 18 -10.461 6.740 9.703 1.00 0.00 N ATOM 210 CA PRO A 18 -9.209 7.502 9.724 1.00 0.00 C ATOM 211 C PRO A 18 -9.008 8.322 8.454 1.00 0.00 C ATOM 212 O PRO A 18 -8.418 7.847 7.484 1.00 0.00 O ATOM 213 CB PRO A 18 -8.135 6.417 9.836 1.00 0.00 C ATOM 214 CG PRO A 18 -8.765 5.200 9.251 1.00 0.00 C ATOM 215 CD PRO A 18 -10.229 5.291 9.581 1.00 0.00 C ATOM 0 HA PRO A 18 -9.187 8.228 10.537 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.232 6.696 9.293 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.845 6.253 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.610 5.160 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.326 4.294 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -10.846 4.850 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.466 4.767 10.507 1.00 0.00 H new ATOM 223 N SER A 19 -9.502 9.556 8.467 1.00 0.00 N ATOM 224 CA SER A 19 -9.379 10.441 7.315 1.00 0.00 C ATOM 225 C SER A 19 -7.985 11.056 7.249 1.00 0.00 C ATOM 226 O SER A 19 -7.832 12.251 6.993 1.00 0.00 O ATOM 227 CB SER A 19 -10.434 11.546 7.379 1.00 0.00 C ATOM 228 OG SER A 19 -11.731 11.029 7.136 1.00 0.00 O ATOM 0 H SER A 19 -9.991 9.965 9.263 1.00 0.00 H new ATOM 0 HA SER A 19 -9.539 9.848 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.407 12.022 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.203 12.317 6.644 1.00 0.00 H new ATOM 0 HG SER A 19 -12.387 11.755 7.184 1.00 0.00 H new ATOM 234 N VAL A 20 -6.969 10.231 7.482 1.00 0.00 N ATOM 235 CA VAL A 20 -5.586 10.693 7.448 1.00 0.00 C ATOM 236 C VAL A 20 -4.638 9.559 7.074 1.00 0.00 C ATOM 237 O VAL A 20 -4.775 8.436 7.556 1.00 0.00 O ATOM 238 CB VAL A 20 -5.157 11.279 8.806 1.00 0.00 C ATOM 239 CG1 VAL A 20 -6.097 12.399 9.226 1.00 0.00 C ATOM 240 CG2 VAL A 20 -5.107 10.188 9.865 1.00 0.00 C ATOM 0 H VAL A 20 -7.077 9.240 7.696 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.531 11.474 6.690 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.156 11.698 8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.778 12.800 10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.077 13.191 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.111 12.009 9.314 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.802 10.620 10.818 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.094 9.737 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.389 9.424 9.567 1.00 0.00 H new ATOM 250 N ALA A 21 -3.674 9.862 6.210 1.00 0.00 N ATOM 251 CA ALA A 21 -2.700 8.870 5.773 1.00 0.00 C ATOM 252 C ALA A 21 -1.466 8.879 6.669 1.00 0.00 C ATOM 253 O ALA A 21 -1.255 9.793 7.466 1.00 0.00 O ATOM 254 CB ALA A 21 -2.305 9.121 4.325 1.00 0.00 C ATOM 0 H ALA A 21 -3.547 10.787 5.799 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.163 7.886 5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.577 8.373 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.189 9.056 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.866 10.115 4.235 1.00 0.00 H new ATOM 260 N PRO A 22 -0.631 7.838 6.537 1.00 0.00 N ATOM 261 CA PRO A 22 0.596 7.703 7.328 1.00 0.00 C ATOM 262 C PRO A 22 1.655 8.728 6.934 1.00 0.00 C ATOM 263 O PRO A 22 1.606 9.299 5.844 1.00 0.00 O ATOM 264 CB PRO A 22 1.075 6.286 7.000 1.00 0.00 C ATOM 265 CG PRO A 22 0.500 5.993 5.658 1.00 0.00 C ATOM 266 CD PRO A 22 -0.820 6.712 5.607 1.00 0.00 C ATOM 0 HA PRO A 22 0.418 7.872 8.390 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.163 6.230 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.729 5.569 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.163 6.339 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.366 4.921 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.051 7.057 4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.641 6.067 5.919 1.00 0.00 H new ATOM 274 N LEU A 23 2.611 8.956 7.827 1.00 0.00 N ATOM 275 CA LEU A 23 3.683 9.912 7.573 1.00 0.00 C ATOM 276 C LEU A 23 5.005 9.194 7.320 1.00 0.00 C ATOM 277 O LEU A 23 5.086 7.971 7.418 1.00 0.00 O ATOM 278 CB LEU A 23 3.829 10.871 8.756 1.00 0.00 C ATOM 279 CG LEU A 23 2.563 11.125 9.575 1.00 0.00 C ATOM 280 CD1 LEU A 23 2.470 10.142 10.732 1.00 0.00 C ATOM 281 CD2 LEU A 23 2.536 12.558 10.086 1.00 0.00 C ATOM 0 H LEU A 23 2.666 8.492 8.734 1.00 0.00 H new ATOM 0 HA LEU A 23 3.424 10.482 6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.597 10.479 9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.192 11.827 8.380 1.00 0.00 H new ATOM 0 HG LEU A 23 1.699 10.976 8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.563 10.338 11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.441 9.124 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.339 10.259 11.379 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.628 12.720 10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.407 12.736 10.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.554 13.246 9.241 1.00 0.00 H new ATOM 293 N ASN A 24 6.038 9.965 6.995 1.00 0.00 N ATOM 294 CA ASN A 24 7.357 9.402 6.729 1.00 0.00 C ATOM 295 C ASN A 24 7.274 8.289 5.689 1.00 0.00 C ATOM 296 O ASN A 24 7.939 7.260 5.810 1.00 0.00 O ATOM 297 CB ASN A 24 7.974 8.862 8.021 1.00 0.00 C ATOM 298 CG ASN A 24 8.807 9.904 8.743 1.00 0.00 C ATOM 299 OD1 ASN A 24 10.029 9.944 8.602 1.00 0.00 O ATOM 300 ND2 ASN A 24 8.147 10.753 9.522 1.00 0.00 N ATOM 0 H ASN A 24 5.987 10.980 6.910 1.00 0.00 H new ATOM 0 HA ASN A 24 7.991 10.197 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.180 8.514 8.682 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.598 7.999 7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.654 11.475 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.133 10.683 9.609 1.00 0.00 H new ATOM 307 N VAL A 25 6.453 8.504 4.665 1.00 0.00 N ATOM 308 CA VAL A 25 6.284 7.520 3.602 1.00 0.00 C ATOM 309 C VAL A 25 7.476 7.530 2.651 1.00 0.00 C ATOM 310 O VAL A 25 7.792 8.553 2.043 1.00 0.00 O ATOM 311 CB VAL A 25 4.997 7.780 2.797 1.00 0.00 C ATOM 312 CG1 VAL A 25 4.881 6.796 1.643 1.00 0.00 C ATOM 313 CG2 VAL A 25 3.777 7.698 3.703 1.00 0.00 C ATOM 0 H VAL A 25 5.895 9.350 4.549 1.00 0.00 H new ATOM 0 HA VAL A 25 6.213 6.544 4.081 1.00 0.00 H new ATOM 0 HB VAL A 25 5.046 8.786 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.966 6.995 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.740 6.908 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.854 5.779 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.876 7.884 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.721 6.705 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.859 8.446 4.492 1.00 0.00 H new ATOM 323 N THR A 26 8.135 6.382 2.525 1.00 0.00 N ATOM 324 CA THR A 26 9.292 6.257 1.648 1.00 0.00 C ATOM 325 C THR A 26 9.292 4.915 0.926 1.00 0.00 C ATOM 326 O THR A 26 8.575 3.991 1.311 1.00 0.00 O ATOM 327 CB THR A 26 10.609 6.406 2.432 1.00 0.00 C ATOM 328 OG1 THR A 26 10.601 5.541 3.573 1.00 0.00 O ATOM 329 CG2 THR A 26 10.811 7.845 2.882 1.00 0.00 C ATOM 0 H THR A 26 7.887 5.525 3.020 1.00 0.00 H new ATOM 0 HA THR A 26 9.222 7.060 0.915 1.00 0.00 H new ATOM 0 HB THR A 26 11.432 6.129 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.443 5.641 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.748 7.926 3.434 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.846 8.497 2.010 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.984 8.144 3.526 1.00 0.00 H new ATOM 337 N VAL A 27 10.102 4.812 -0.123 1.00 0.00 N ATOM 338 CA VAL A 27 10.198 3.581 -0.898 1.00 0.00 C ATOM 339 C VAL A 27 11.616 3.364 -1.413 1.00 0.00 C ATOM 340 O VAL A 27 12.231 4.273 -1.972 1.00 0.00 O ATOM 341 CB VAL A 27 9.226 3.594 -2.093 1.00 0.00 C ATOM 342 CG1 VAL A 27 9.392 2.335 -2.930 1.00 0.00 C ATOM 343 CG2 VAL A 27 7.790 3.737 -1.611 1.00 0.00 C ATOM 0 H VAL A 27 10.702 5.567 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 27 9.929 2.764 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 27 9.462 4.453 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.697 2.362 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.414 2.280 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.184 1.459 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.117 3.744 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.539 2.899 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.683 4.670 -1.058 1.00 0.00 H new ATOM 353 N PHE A 28 12.130 2.154 -1.221 1.00 0.00 N ATOM 354 CA PHE A 28 13.478 1.817 -1.666 1.00 0.00 C ATOM 355 C PHE A 28 13.461 0.585 -2.567 1.00 0.00 C ATOM 356 O PHE A 28 12.611 -0.294 -2.420 1.00 0.00 O ATOM 357 CB PHE A 28 14.388 1.569 -0.461 1.00 0.00 C ATOM 358 CG PHE A 28 14.840 2.829 0.218 1.00 0.00 C ATOM 359 CD1 PHE A 28 14.049 3.435 1.182 1.00 0.00 C ATOM 360 CD2 PHE A 28 16.056 3.410 -0.107 1.00 0.00 C ATOM 361 CE1 PHE A 28 14.463 4.595 1.809 1.00 0.00 C ATOM 362 CE2 PHE A 28 16.474 4.570 0.517 1.00 0.00 C ATOM 363 CZ PHE A 28 15.676 5.164 1.476 1.00 0.00 C ATOM 0 H PHE A 28 11.634 1.391 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 28 13.866 2.659 -2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 28 13.860 0.946 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 28 15.263 1.007 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.098 2.996 1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 28 16.684 2.951 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.838 5.056 2.559 1.00 0.00 H new ATOM 0 HE2 PHE A 28 17.424 5.012 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 28 16.000 6.071 1.964 1.00 0.00 H new ATOM 373 N LEU A 29 14.405 0.530 -3.500 1.00 0.00 N ATOM 374 CA LEU A 29 14.499 -0.593 -4.427 1.00 0.00 C ATOM 375 C LEU A 29 15.747 -1.425 -4.148 1.00 0.00 C ATOM 376 O LEU A 29 16.804 -0.887 -3.820 1.00 0.00 O ATOM 377 CB LEU A 29 14.521 -0.088 -5.870 1.00 0.00 C ATOM 378 CG LEU A 29 15.027 -1.078 -6.920 1.00 0.00 C ATOM 379 CD1 LEU A 29 13.911 -2.020 -7.346 1.00 0.00 C ATOM 380 CD2 LEU A 29 15.591 -0.338 -8.124 1.00 0.00 C ATOM 0 H LEU A 29 15.116 1.249 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 29 13.623 -1.226 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.510 0.215 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.144 0.805 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 29 15.827 -1.671 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.289 -2.717 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.553 -2.576 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.090 -1.443 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.946 -1.059 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.812 0.281 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.420 0.295 -7.807 1.00 0.00 H new ATOM 392 N ASN A 30 15.617 -2.741 -4.283 1.00 0.00 N ATOM 393 CA ASN A 30 16.734 -3.648 -4.047 1.00 0.00 C ATOM 394 C ASN A 30 17.089 -4.416 -5.317 1.00 0.00 C ATOM 395 O ASN A 30 16.223 -5.017 -5.952 1.00 0.00 O ATOM 396 CB ASN A 30 16.394 -4.628 -2.923 1.00 0.00 C ATOM 397 CG ASN A 30 17.629 -5.126 -2.196 1.00 0.00 C ATOM 398 OD1 ASN A 30 18.600 -5.553 -2.820 1.00 0.00 O ATOM 399 ND2 ASN A 30 17.596 -5.072 -0.870 1.00 0.00 N ATOM 0 H ASN A 30 14.749 -3.203 -4.555 1.00 0.00 H new ATOM 0 HA ASN A 30 17.597 -3.052 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.728 -4.142 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.852 -5.478 -3.338 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.397 -5.392 -0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.769 -4.710 -0.395 1.00 0.00 H new ATOM 406 N GLU A 31 18.368 -4.390 -5.680 1.00 0.00 N ATOM 407 CA GLU A 31 18.836 -5.084 -6.874 1.00 0.00 C ATOM 408 C GLU A 31 19.269 -6.509 -6.540 1.00 0.00 C ATOM 409 O GLU A 31 19.074 -7.430 -7.333 1.00 0.00 O ATOM 410 CB GLU A 31 20.000 -4.321 -7.510 1.00 0.00 C ATOM 411 CG GLU A 31 19.666 -2.880 -7.857 1.00 0.00 C ATOM 412 CD GLU A 31 19.872 -1.936 -6.688 1.00 0.00 C ATOM 413 OE1 GLU A 31 18.951 -1.814 -5.854 1.00 0.00 O ATOM 414 OE2 GLU A 31 20.956 -1.320 -6.608 1.00 0.00 O ATOM 0 H GLU A 31 19.097 -3.897 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 31 18.010 -5.131 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.849 -4.334 -6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 31 20.313 -4.841 -8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.287 -2.558 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.629 -2.821 -8.189 1.00 0.00 H new ATOM 421 N SER A 32 19.859 -6.681 -5.362 1.00 0.00 N ATOM 422 CA SER A 32 20.325 -7.992 -4.924 1.00 0.00 C ATOM 423 C SER A 32 19.168 -8.826 -4.382 1.00 0.00 C ATOM 424 O SER A 32 19.164 -10.052 -4.497 1.00 0.00 O ATOM 425 CB SER A 32 21.406 -7.841 -3.853 1.00 0.00 C ATOM 426 OG SER A 32 22.090 -9.065 -3.643 1.00 0.00 O ATOM 0 H SER A 32 20.026 -5.929 -4.693 1.00 0.00 H new ATOM 0 HA SER A 32 20.748 -8.507 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.116 -7.071 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 32 20.953 -7.509 -2.919 1.00 0.00 H new ATOM 0 HG SER A 32 22.777 -8.942 -2.955 1.00 0.00 H new ATOM 432 N SER A 33 18.188 -8.152 -3.789 1.00 0.00 N ATOM 433 CA SER A 33 17.027 -8.830 -3.224 1.00 0.00 C ATOM 434 C SER A 33 15.833 -8.742 -4.171 1.00 0.00 C ATOM 435 O SER A 33 14.782 -9.330 -3.917 1.00 0.00 O ATOM 436 CB SER A 33 16.663 -8.220 -1.869 1.00 0.00 C ATOM 437 OG SER A 33 17.723 -8.374 -0.940 1.00 0.00 O ATOM 0 H SER A 33 18.175 -7.137 -3.687 1.00 0.00 H new ATOM 0 HA SER A 33 17.282 -9.880 -3.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.434 -7.161 -1.993 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.763 -8.697 -1.481 1.00 0.00 H new ATOM 0 HG SER A 33 17.467 -7.975 -0.082 1.00 0.00 H new ATOM 443 N ASP A 34 16.004 -8.003 -5.261 1.00 0.00 N ATOM 444 CA ASP A 34 14.943 -7.838 -6.247 1.00 0.00 C ATOM 445 C ASP A 34 13.593 -7.640 -5.564 1.00 0.00 C ATOM 446 O ASP A 34 12.601 -8.268 -5.933 1.00 0.00 O ATOM 447 CB ASP A 34 14.885 -9.053 -7.175 1.00 0.00 C ATOM 448 CG ASP A 34 16.217 -9.334 -7.843 1.00 0.00 C ATOM 449 OD1 ASP A 34 17.155 -9.763 -7.139 1.00 0.00 O ATOM 450 OD2 ASP A 34 16.320 -9.127 -9.070 1.00 0.00 O ATOM 0 H ASP A 34 16.868 -7.508 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 34 15.166 -6.950 -6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.576 -9.929 -6.604 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.126 -8.887 -7.940 1.00 0.00 H new ATOM 455 N ASN A 35 13.564 -6.763 -4.566 1.00 0.00 N ATOM 456 CA ASN A 35 12.336 -6.483 -3.830 1.00 0.00 C ATOM 457 C ASN A 35 12.165 -4.984 -3.608 1.00 0.00 C ATOM 458 O ASN A 35 13.124 -4.217 -3.703 1.00 0.00 O ATOM 459 CB ASN A 35 12.346 -7.212 -2.484 1.00 0.00 C ATOM 460 CG ASN A 35 12.269 -8.718 -2.642 1.00 0.00 C ATOM 461 OD1 ASN A 35 11.549 -9.227 -3.501 1.00 0.00 O ATOM 462 ND2 ASN A 35 13.011 -9.439 -1.810 1.00 0.00 N ATOM 0 H ASN A 35 14.376 -6.234 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 35 11.496 -6.842 -4.424 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.254 -6.952 -1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.505 -6.869 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.999 -10.457 -1.868 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.593 -8.975 -1.113 1.00 0.00 H new ATOM 469 N VAL A 36 10.936 -4.572 -3.310 1.00 0.00 N ATOM 470 CA VAL A 36 10.639 -3.164 -3.072 1.00 0.00 C ATOM 471 C VAL A 36 10.357 -2.904 -1.597 1.00 0.00 C ATOM 472 O VAL A 36 9.365 -3.386 -1.049 1.00 0.00 O ATOM 473 CB VAL A 36 9.430 -2.698 -3.905 1.00 0.00 C ATOM 474 CG1 VAL A 36 9.102 -1.244 -3.602 1.00 0.00 C ATOM 475 CG2 VAL A 36 9.698 -2.894 -5.389 1.00 0.00 C ATOM 0 H VAL A 36 10.131 -5.193 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 36 11.520 -2.598 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 36 8.567 -3.305 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.245 -0.932 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.864 -1.138 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.961 -0.619 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.833 -2.559 -5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.573 -2.313 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.880 -3.950 -5.590 1.00 0.00 H new ATOM 485 N ASP A 37 11.235 -2.138 -0.959 1.00 0.00 N ATOM 486 CA ASP A 37 11.080 -1.812 0.454 1.00 0.00 C ATOM 487 C ASP A 37 10.211 -0.571 0.633 1.00 0.00 C ATOM 488 O ASP A 37 10.216 0.329 -0.208 1.00 0.00 O ATOM 489 CB ASP A 37 12.448 -1.589 1.101 1.00 0.00 C ATOM 490 CG ASP A 37 12.435 -1.862 2.592 1.00 0.00 C ATOM 491 OD1 ASP A 37 11.703 -2.779 3.022 1.00 0.00 O ATOM 492 OD2 ASP A 37 13.156 -1.158 3.330 1.00 0.00 O ATOM 0 H ASP A 37 12.061 -1.731 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 37 10.588 -2.652 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.183 -2.236 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.766 -0.561 0.926 1.00 0.00 H new ATOM 497 N ILE A 38 9.466 -0.530 1.732 1.00 0.00 N ATOM 498 CA ILE A 38 8.592 0.601 2.020 1.00 0.00 C ATOM 499 C ILE A 38 8.565 0.908 3.514 1.00 0.00 C ATOM 500 O ILE A 38 8.413 0.008 4.340 1.00 0.00 O ATOM 501 CB ILE A 38 7.154 0.339 1.535 1.00 0.00 C ATOM 502 CG1 ILE A 38 7.168 -0.237 0.118 1.00 0.00 C ATOM 503 CG2 ILE A 38 6.337 1.621 1.584 1.00 0.00 C ATOM 504 CD1 ILE A 38 7.271 -1.746 0.080 1.00 0.00 C ATOM 0 H ILE A 38 9.450 -1.266 2.438 1.00 0.00 H new ATOM 0 HA ILE A 38 8.997 1.458 1.482 1.00 0.00 H new ATOM 0 HB ILE A 38 6.689 -0.390 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.259 0.070 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.007 0.190 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.323 1.420 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.304 1.993 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.798 2.371 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.276 -2.084 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.193 -2.060 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.418 -2.182 0.600 1.00 0.00 H new ATOM 516 N ARG A 39 8.712 2.184 3.853 1.00 0.00 N ATOM 517 CA ARG A 39 8.703 2.610 5.247 1.00 0.00 C ATOM 518 C ARG A 39 7.732 3.768 5.456 1.00 0.00 C ATOM 519 O ARG A 39 7.766 4.759 4.727 1.00 0.00 O ATOM 520 CB ARG A 39 10.109 3.025 5.684 1.00 0.00 C ATOM 521 CG ARG A 39 10.177 3.534 7.115 1.00 0.00 C ATOM 522 CD ARG A 39 10.184 2.388 8.114 1.00 0.00 C ATOM 523 NE ARG A 39 10.704 2.799 9.415 1.00 0.00 N ATOM 524 CZ ARG A 39 12.000 2.888 9.694 1.00 0.00 C ATOM 525 NH1 ARG A 39 12.902 2.596 8.768 1.00 0.00 N ATOM 526 NH2 ARG A 39 12.395 3.270 10.902 1.00 0.00 N ATOM 0 H ARG A 39 8.839 2.941 3.181 1.00 0.00 H new ATOM 0 HA ARG A 39 8.374 1.768 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.780 2.172 5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.474 3.803 5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.075 4.137 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.325 4.185 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.170 2.005 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.790 1.570 7.723 1.00 0.00 H new ATOM 0 HE ARG A 39 10.036 3.030 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.602 2.302 7.838 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.896 2.665 8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.703 3.496 11.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.390 3.338 11.115 1.00 0.00 H new ATOM 540 N TRP A 40 6.867 3.635 6.455 1.00 0.00 N ATOM 541 CA TRP A 40 5.885 4.670 6.759 1.00 0.00 C ATOM 542 C TRP A 40 5.753 4.869 8.265 1.00 0.00 C ATOM 543 O TRP A 40 6.414 4.190 9.050 1.00 0.00 O ATOM 544 CB TRP A 40 4.526 4.305 6.159 1.00 0.00 C ATOM 545 CG TRP A 40 3.936 3.057 6.742 1.00 0.00 C ATOM 546 CD1 TRP A 40 3.050 2.976 7.778 1.00 0.00 C ATOM 547 CD2 TRP A 40 4.191 1.712 6.323 1.00 0.00 C ATOM 548 NE1 TRP A 40 2.739 1.661 8.029 1.00 0.00 N ATOM 549 CE2 TRP A 40 3.425 0.866 7.149 1.00 0.00 C ATOM 550 CE3 TRP A 40 4.989 1.139 5.330 1.00 0.00 C ATOM 551 CZ2 TRP A 40 3.437 -0.519 7.011 1.00 0.00 C ATOM 552 CZ3 TRP A 40 5.001 -0.236 5.194 1.00 0.00 C ATOM 553 CH2 TRP A 40 4.228 -1.053 6.030 1.00 0.00 C ATOM 0 H TRP A 40 6.825 2.821 7.068 1.00 0.00 H new ATOM 0 HA TRP A 40 6.230 5.605 6.317 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.834 5.133 6.315 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.634 4.178 5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 40 2.652 3.821 8.320 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.101 1.331 8.753 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.587 1.760 4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 2.843 -1.150 7.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.616 -0.689 4.431 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.257 -2.124 5.898 1.00 0.00 H new ATOM 564 N MET A 41 4.896 5.804 8.661 1.00 0.00 N ATOM 565 CA MET A 41 4.677 6.091 10.074 1.00 0.00 C ATOM 566 C MET A 41 3.186 6.160 10.390 1.00 0.00 C ATOM 567 O MET A 41 2.360 6.355 9.498 1.00 0.00 O ATOM 568 CB MET A 41 5.354 7.407 10.460 1.00 0.00 C ATOM 569 CG MET A 41 6.814 7.248 10.850 1.00 0.00 C ATOM 570 SD MET A 41 7.028 6.844 12.594 1.00 0.00 S ATOM 571 CE MET A 41 7.181 8.481 13.304 1.00 0.00 C ATOM 0 H MET A 41 4.342 6.376 8.024 1.00 0.00 H new ATOM 0 HA MET A 41 5.116 5.281 10.656 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.284 8.101 9.623 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.811 7.855 11.292 1.00 0.00 H new ATOM 0 HG2 MET A 41 7.265 6.464 10.242 1.00 0.00 H new ATOM 0 HG3 MET A 41 7.348 8.172 10.627 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.319 8.399 14.382 1.00 0.00 H new ATOM 0 HE2 MET A 41 8.040 8.989 12.866 1.00 0.00 H new ATOM 0 HE3 MET A 41 6.277 9.053 13.097 1.00 0.00 H new ATOM 581 N LYS A 42 2.848 6.000 11.665 1.00 0.00 N ATOM 582 CA LYS A 42 1.457 6.045 12.100 1.00 0.00 C ATOM 583 C LYS A 42 0.958 7.484 12.176 1.00 0.00 C ATOM 584 O LYS A 42 1.683 8.398 12.569 1.00 0.00 O ATOM 585 CB LYS A 42 1.305 5.368 13.464 1.00 0.00 C ATOM 586 CG LYS A 42 -0.082 5.514 14.064 1.00 0.00 C ATOM 587 CD LYS A 42 -0.061 5.319 15.571 1.00 0.00 C ATOM 588 CE LYS A 42 0.071 3.849 15.941 1.00 0.00 C ATOM 589 NZ LYS A 42 0.293 3.662 17.401 1.00 0.00 N ATOM 0 H LYS A 42 3.519 5.838 12.416 1.00 0.00 H new ATOM 0 HA LYS A 42 0.855 5.508 11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.538 4.308 13.362 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.036 5.790 14.153 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.479 6.502 13.830 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.754 4.785 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.770 5.879 16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.976 5.724 16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.831 3.316 15.640 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.901 3.409 15.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.378 2.647 17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.167 4.149 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.511 4.059 17.928 1.00 0.00 H new ATOM 603 N PRO A 43 -0.311 7.692 11.794 1.00 0.00 N ATOM 604 CA PRO A 43 -0.936 9.018 11.813 1.00 0.00 C ATOM 605 C PRO A 43 -1.177 9.526 13.231 1.00 0.00 C ATOM 606 O PRO A 43 -1.031 8.795 14.211 1.00 0.00 O ATOM 607 CB PRO A 43 -2.267 8.793 11.092 1.00 0.00 C ATOM 608 CG PRO A 43 -2.565 7.347 11.290 1.00 0.00 C ATOM 609 CD PRO A 43 -1.233 6.649 11.315 1.00 0.00 C ATOM 0 HA PRO A 43 -0.304 9.773 11.345 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.054 9.420 11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.190 9.040 10.033 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.108 7.184 12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.191 6.964 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.244 5.786 11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.951 6.286 10.327 1.00 0.00 H new ATOM 617 N PRO A 44 -1.555 10.807 13.345 1.00 0.00 N ATOM 618 CA PRO A 44 -1.825 11.440 14.640 1.00 0.00 C ATOM 619 C PRO A 44 -3.095 10.905 15.293 1.00 0.00 C ATOM 620 O PRO A 44 -3.520 11.393 16.341 1.00 0.00 O ATOM 621 CB PRO A 44 -1.990 12.920 14.283 1.00 0.00 C ATOM 622 CG PRO A 44 -2.423 12.920 12.858 1.00 0.00 C ATOM 623 CD PRO A 44 -1.749 11.737 12.220 1.00 0.00 C ATOM 0 HA PRO A 44 -1.031 11.247 15.362 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.731 13.401 14.922 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.055 13.465 14.413 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.507 12.840 12.780 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.135 13.847 12.363 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.366 11.297 11.437 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.801 12.015 11.760 1.00 0.00 H new ATOM 735 N LEU A 52 -5.523 1.657 15.598 1.00 0.00 N ATOM 736 CA LEU A 52 -5.031 1.207 14.300 1.00 0.00 C ATOM 737 C LEU A 52 -5.005 -0.316 14.225 1.00 0.00 C ATOM 738 O LEU A 52 -4.446 -0.981 15.097 1.00 0.00 O ATOM 739 CB LEU A 52 -3.631 1.766 14.041 1.00 0.00 C ATOM 740 CG LEU A 52 -3.254 1.977 12.574 1.00 0.00 C ATOM 741 CD1 LEU A 52 -3.607 0.749 11.750 1.00 0.00 C ATOM 742 CD2 LEU A 52 -3.946 3.213 12.018 1.00 0.00 C ATOM 0 HA LEU A 52 -5.711 1.578 13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.541 2.721 14.560 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.903 1.090 14.489 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.177 2.131 12.514 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.331 0.918 10.709 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.064 -0.115 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.679 0.562 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.666 3.348 10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.026 3.089 12.091 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.642 4.089 12.591 1.00 0.00 H new ATOM 754 N VAL A 53 -5.612 -0.863 13.177 1.00 0.00 N ATOM 755 CA VAL A 53 -5.656 -2.308 12.986 1.00 0.00 C ATOM 756 C VAL A 53 -4.665 -2.751 11.916 1.00 0.00 C ATOM 757 O VAL A 53 -4.136 -3.861 11.966 1.00 0.00 O ATOM 758 CB VAL A 53 -7.068 -2.779 12.590 1.00 0.00 C ATOM 759 CG1 VAL A 53 -8.106 -2.227 13.555 1.00 0.00 C ATOM 760 CG2 VAL A 53 -7.385 -2.368 11.160 1.00 0.00 C ATOM 0 H VAL A 53 -6.081 -0.327 12.447 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.384 -2.762 13.939 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.098 -3.867 12.646 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.097 -2.571 13.259 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.887 -2.577 14.564 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.079 -1.138 13.535 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.386 -2.709 10.897 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.337 -1.282 11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.659 -2.818 10.483 1.00 0.00 H new ATOM 770 N GLY A 54 -4.417 -1.874 10.947 1.00 0.00 N ATOM 771 CA GLY A 54 -3.489 -2.193 9.878 1.00 0.00 C ATOM 772 C GLY A 54 -3.490 -1.149 8.779 1.00 0.00 C ATOM 773 O GLY A 54 -4.244 -0.178 8.837 1.00 0.00 O ATOM 0 H GLY A 54 -4.842 -0.949 10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.483 -2.283 10.289 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.748 -3.163 9.454 1.00 0.00 H new ATOM 777 N TYR A 55 -2.642 -1.348 7.776 1.00 0.00 N ATOM 778 CA TYR A 55 -2.545 -0.413 6.661 1.00 0.00 C ATOM 779 C TYR A 55 -2.847 -1.110 5.338 1.00 0.00 C ATOM 780 O TYR A 55 -2.899 -2.338 5.268 1.00 0.00 O ATOM 781 CB TYR A 55 -1.150 0.213 6.613 1.00 0.00 C ATOM 782 CG TYR A 55 -0.804 1.016 7.847 1.00 0.00 C ATOM 783 CD1 TYR A 55 -0.375 0.389 9.010 1.00 0.00 C ATOM 784 CD2 TYR A 55 -0.908 2.401 7.850 1.00 0.00 C ATOM 785 CE1 TYR A 55 -0.059 1.119 10.140 1.00 0.00 C ATOM 786 CE2 TYR A 55 -0.593 3.139 8.974 1.00 0.00 C ATOM 787 CZ TYR A 55 -0.169 2.493 10.117 1.00 0.00 C ATOM 788 OH TYR A 55 0.145 3.224 11.240 1.00 0.00 O ATOM 0 H TYR A 55 -2.012 -2.148 7.712 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.284 0.373 6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.410 -0.577 6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.081 0.859 5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.287 -0.687 9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.241 2.910 6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.272 0.616 11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.678 4.216 8.958 1.00 0.00 H new ATOM 0 HH TYR A 55 0.835 2.754 11.754 1.00 0.00 H new ATOM 798 N ARG A 56 -3.044 -0.317 4.290 1.00 0.00 N ATOM 799 CA ARG A 56 -3.342 -0.856 2.969 1.00 0.00 C ATOM 800 C ARG A 56 -2.343 -0.343 1.935 1.00 0.00 C ATOM 801 O ARG A 56 -2.393 0.820 1.534 1.00 0.00 O ATOM 802 CB ARG A 56 -4.764 -0.481 2.550 1.00 0.00 C ATOM 803 CG ARG A 56 -5.387 -1.458 1.566 1.00 0.00 C ATOM 804 CD ARG A 56 -6.847 -1.126 1.300 1.00 0.00 C ATOM 805 NE ARG A 56 -7.740 -1.773 2.258 1.00 0.00 N ATOM 806 CZ ARG A 56 -7.890 -3.090 2.347 1.00 0.00 C ATOM 807 NH1 ARG A 56 -7.212 -3.895 1.541 1.00 0.00 N ATOM 808 NH2 ARG A 56 -8.722 -3.604 3.245 1.00 0.00 N ATOM 0 H ARG A 56 -3.003 0.701 4.330 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.261 -1.942 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.392 -0.423 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.752 0.513 2.103 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.831 -1.436 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.309 -2.472 1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.987 -0.046 1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.111 -1.439 0.290 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.277 -1.182 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.572 -3.504 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.330 -4.906 1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.246 -2.988 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.837 -4.615 3.313 1.00 0.00 H new ATOM 822 N ILE A 57 -1.439 -1.218 1.509 1.00 0.00 N ATOM 823 CA ILE A 57 -0.430 -0.854 0.522 1.00 0.00 C ATOM 824 C ILE A 57 -0.837 -1.310 -0.875 1.00 0.00 C ATOM 825 O ILE A 57 -0.875 -2.506 -1.162 1.00 0.00 O ATOM 826 CB ILE A 57 0.942 -1.462 0.868 1.00 0.00 C ATOM 827 CG1 ILE A 57 1.329 -1.115 2.308 1.00 0.00 C ATOM 828 CG2 ILE A 57 2.002 -0.966 -0.105 1.00 0.00 C ATOM 829 CD1 ILE A 57 2.619 -1.764 2.759 1.00 0.00 C ATOM 0 H ILE A 57 -1.384 -2.184 1.832 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.351 0.233 0.539 1.00 0.00 H new ATOM 0 HB ILE A 57 0.875 -2.546 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.424 -0.033 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.524 -1.422 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.966 -1.404 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.730 -1.258 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.070 0.120 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.832 -1.474 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.521 -2.848 2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.435 -1.438 2.114 1.00 0.00 H new ATOM 841 N SER A 58 -1.141 -0.348 -1.741 1.00 0.00 N ATOM 842 CA SER A 58 -1.547 -0.651 -3.108 1.00 0.00 C ATOM 843 C SER A 58 -0.436 -0.304 -4.095 1.00 0.00 C ATOM 844 O SER A 58 -0.095 0.865 -4.278 1.00 0.00 O ATOM 845 CB SER A 58 -2.821 0.118 -3.466 1.00 0.00 C ATOM 846 OG SER A 58 -3.191 -0.108 -4.815 1.00 0.00 O ATOM 0 H SER A 58 -1.114 0.647 -1.520 1.00 0.00 H new ATOM 0 HA SER A 58 -1.746 -1.721 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.633 -0.190 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.664 1.184 -3.302 1.00 0.00 H new ATOM 0 HG SER A 58 -4.008 0.393 -5.018 1.00 0.00 H new ATOM 852 N HIS A 59 0.125 -1.329 -4.729 1.00 0.00 N ATOM 853 CA HIS A 59 1.197 -1.134 -5.698 1.00 0.00 C ATOM 854 C HIS A 59 0.763 -1.589 -7.088 1.00 0.00 C ATOM 855 O HIS A 59 0.606 -2.784 -7.340 1.00 0.00 O ATOM 856 CB HIS A 59 2.449 -1.898 -5.266 1.00 0.00 C ATOM 857 CG HIS A 59 2.208 -3.358 -5.032 1.00 0.00 C ATOM 858 ND1 HIS A 59 2.820 -4.349 -5.770 1.00 0.00 N ATOM 859 CD2 HIS A 59 1.418 -3.993 -4.135 1.00 0.00 C ATOM 860 CE1 HIS A 59 2.415 -5.530 -5.338 1.00 0.00 C ATOM 861 NE2 HIS A 59 1.564 -5.342 -4.346 1.00 0.00 N ATOM 0 H HIS A 59 -0.145 -2.303 -4.589 1.00 0.00 H new ATOM 0 HA HIS A 59 1.427 -0.069 -5.739 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.217 -1.783 -6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.840 -1.451 -4.352 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.790 -3.526 -3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.727 -6.487 -5.730 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.092 -6.079 -3.822 1.00 0.00 H new ATOM 870 N VAL A 60 0.570 -0.629 -7.986 1.00 0.00 N ATOM 871 CA VAL A 60 0.154 -0.931 -9.351 1.00 0.00 C ATOM 872 C VAL A 60 1.330 -0.837 -10.317 1.00 0.00 C ATOM 873 O VAL A 60 2.135 0.092 -10.242 1.00 0.00 O ATOM 874 CB VAL A 60 -0.961 0.021 -9.822 1.00 0.00 C ATOM 875 CG1 VAL A 60 -1.373 -0.304 -11.249 1.00 0.00 C ATOM 876 CG2 VAL A 60 -2.156 -0.054 -8.883 1.00 0.00 C ATOM 0 H VAL A 60 0.695 0.365 -7.793 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.229 -1.952 -9.347 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.577 1.041 -9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.162 0.379 -11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.513 -0.195 -11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.740 -1.329 -11.297 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.935 0.625 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.543 -1.073 -8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.847 0.232 -7.878 1.00 0.00 H new ATOM 886 N TRP A 61 1.422 -1.802 -11.224 1.00 0.00 N ATOM 887 CA TRP A 61 2.499 -1.828 -12.207 1.00 0.00 C ATOM 888 C TRP A 61 1.993 -1.402 -13.581 1.00 0.00 C ATOM 889 O TRP A 61 0.962 -1.885 -14.048 1.00 0.00 O ATOM 890 CB TRP A 61 3.112 -3.227 -12.286 1.00 0.00 C ATOM 891 CG TRP A 61 3.513 -3.776 -10.950 1.00 0.00 C ATOM 892 CD1 TRP A 61 2.684 -4.286 -9.991 1.00 0.00 C ATOM 893 CD2 TRP A 61 4.842 -3.869 -10.426 1.00 0.00 C ATOM 894 NE1 TRP A 61 3.419 -4.690 -8.902 1.00 0.00 N ATOM 895 CE2 TRP A 61 4.745 -4.446 -9.144 1.00 0.00 C ATOM 896 CE3 TRP A 61 6.104 -3.524 -10.915 1.00 0.00 C ATOM 897 CZ2 TRP A 61 5.862 -4.682 -8.348 1.00 0.00 C ATOM 898 CZ3 TRP A 61 7.212 -3.758 -10.123 1.00 0.00 C ATOM 899 CH2 TRP A 61 7.086 -4.334 -8.851 1.00 0.00 C ATOM 0 H TRP A 61 0.764 -2.577 -11.299 1.00 0.00 H new ATOM 0 HA TRP A 61 3.265 -1.121 -11.888 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.395 -3.905 -12.749 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.987 -3.197 -12.936 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.610 -4.361 -10.076 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.039 -5.104 -8.051 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.212 -3.082 -11.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 5.766 -5.124 -7.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 8.192 -3.492 -10.490 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.971 -4.506 -8.257 1.00 0.00 H new ATOM 910 N GLN A 62 2.726 -0.498 -14.222 1.00 0.00 N ATOM 911 CA GLN A 62 2.349 -0.008 -15.543 1.00 0.00 C ATOM 912 C GLN A 62 3.527 -0.085 -16.508 1.00 0.00 C ATOM 913 O GLN A 62 4.520 0.626 -16.350 1.00 0.00 O ATOM 914 CB GLN A 62 1.843 1.432 -15.451 1.00 0.00 C ATOM 915 CG GLN A 62 0.351 1.537 -15.176 1.00 0.00 C ATOM 916 CD GLN A 62 -0.155 2.964 -15.239 1.00 0.00 C ATOM 917 OE1 GLN A 62 0.615 3.899 -15.460 1.00 0.00 O ATOM 918 NE2 GLN A 62 -1.457 3.140 -15.044 1.00 0.00 N ATOM 0 H GLN A 62 3.583 -0.090 -13.849 1.00 0.00 H new ATOM 0 HA GLN A 62 1.549 -0.643 -15.924 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.387 1.949 -14.661 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.069 1.948 -16.384 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.192 0.931 -15.901 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.137 1.123 -14.191 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.059 2.336 -14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.855 4.079 -15.074 1.00 0.00 H new ATOM 927 N SER A 63 3.411 -0.952 -17.509 1.00 0.00 N ATOM 928 CA SER A 63 4.468 -1.125 -18.498 1.00 0.00 C ATOM 929 C SER A 63 3.922 -0.956 -19.912 1.00 0.00 C ATOM 930 O SER A 63 2.717 -1.055 -20.140 1.00 0.00 O ATOM 931 CB SER A 63 5.114 -2.504 -18.349 1.00 0.00 C ATOM 932 OG SER A 63 5.612 -2.970 -19.592 1.00 0.00 O ATOM 0 H SER A 63 2.595 -1.546 -17.656 1.00 0.00 H new ATOM 0 HA SER A 63 5.223 -0.358 -18.325 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.927 -2.452 -17.624 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.383 -3.212 -17.958 1.00 0.00 H new ATOM 0 HG SER A 63 6.021 -3.852 -19.470 1.00 0.00 H new ATOM 938 N ALA A 64 4.819 -0.701 -20.860 1.00 0.00 N ATOM 939 CA ALA A 64 4.428 -0.521 -22.252 1.00 0.00 C ATOM 940 C ALA A 64 3.841 -1.804 -22.829 1.00 0.00 C ATOM 941 O ALA A 64 4.572 -2.727 -23.186 1.00 0.00 O ATOM 942 CB ALA A 64 5.621 -0.066 -23.080 1.00 0.00 C ATOM 0 H ALA A 64 5.821 -0.615 -20.689 1.00 0.00 H new ATOM 0 HA ALA A 64 3.657 0.249 -22.290 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.315 0.065 -24.118 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.995 0.881 -22.690 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.409 -0.817 -23.026 1.00 0.00 H new ATOM 948 N GLY A 65 2.515 -1.856 -22.916 1.00 0.00 N ATOM 949 CA GLY A 65 1.852 -3.032 -23.450 1.00 0.00 C ATOM 950 C GLY A 65 1.286 -3.922 -22.361 1.00 0.00 C ATOM 951 O GLY A 65 0.396 -4.734 -22.615 1.00 0.00 O ATOM 0 H GLY A 65 1.888 -1.105 -22.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.047 -2.721 -24.116 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.560 -3.603 -24.051 1.00 0.00 H new ATOM 955 N ILE A 66 1.804 -3.771 -21.147 1.00 0.00 N ATOM 956 CA ILE A 66 1.344 -4.568 -20.016 1.00 0.00 C ATOM 957 C ILE A 66 1.077 -3.691 -18.798 1.00 0.00 C ATOM 958 O ILE A 66 1.976 -3.018 -18.295 1.00 0.00 O ATOM 959 CB ILE A 66 2.370 -5.653 -19.639 1.00 0.00 C ATOM 960 CG1 ILE A 66 2.328 -6.800 -20.651 1.00 0.00 C ATOM 961 CG2 ILE A 66 2.101 -6.170 -18.234 1.00 0.00 C ATOM 962 CD1 ILE A 66 0.971 -7.459 -20.762 1.00 0.00 C ATOM 0 H ILE A 66 2.542 -3.104 -20.921 1.00 0.00 H new ATOM 0 HA ILE A 66 0.416 -5.049 -20.325 1.00 0.00 H new ATOM 0 HB ILE A 66 3.367 -5.212 -19.659 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.620 -6.420 -21.630 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.065 -7.551 -20.368 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.834 -6.936 -17.982 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.177 -5.347 -17.523 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.099 -6.597 -18.189 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.016 -8.263 -21.497 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.685 -7.869 -19.793 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.233 -6.721 -21.076 1.00 0.00 H new ATOM 974 N SER A 67 -0.166 -3.707 -18.326 1.00 0.00 N ATOM 975 CA SER A 67 -0.553 -2.911 -17.167 1.00 0.00 C ATOM 976 C SER A 67 -1.281 -3.770 -16.137 1.00 0.00 C ATOM 977 O SER A 67 -2.451 -4.112 -16.312 1.00 0.00 O ATOM 978 CB SER A 67 -1.445 -1.745 -17.597 1.00 0.00 C ATOM 979 OG SER A 67 -2.650 -2.211 -18.177 1.00 0.00 O ATOM 0 H SER A 67 -0.921 -4.262 -18.728 1.00 0.00 H new ATOM 0 HA SER A 67 0.354 -2.516 -16.710 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.672 -1.119 -16.734 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.911 -1.120 -18.313 1.00 0.00 H new ATOM 0 HG SER A 67 -2.932 -3.035 -17.727 1.00 0.00 H new ATOM 985 N LYS A 68 -0.581 -4.116 -15.063 1.00 0.00 N ATOM 986 CA LYS A 68 -1.159 -4.934 -14.003 1.00 0.00 C ATOM 987 C LYS A 68 -1.182 -4.174 -12.681 1.00 0.00 C ATOM 988 O LYS A 68 -0.434 -3.215 -12.493 1.00 0.00 O ATOM 989 CB LYS A 68 -0.365 -6.233 -13.843 1.00 0.00 C ATOM 990 CG LYS A 68 -0.347 -7.093 -15.095 1.00 0.00 C ATOM 991 CD LYS A 68 -0.154 -8.562 -14.759 1.00 0.00 C ATOM 992 CE LYS A 68 1.321 -8.916 -14.635 1.00 0.00 C ATOM 993 NZ LYS A 68 1.935 -9.204 -15.961 1.00 0.00 N ATOM 0 H LYS A 68 0.389 -3.843 -14.903 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.185 -5.174 -14.282 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.660 -5.990 -13.564 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.790 -6.810 -13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.282 -6.963 -15.640 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.455 -6.761 -15.754 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.665 -8.793 -13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.613 -9.177 -15.533 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.854 -8.092 -14.159 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.433 -9.785 -13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.940 -9.441 -15.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.443 -10.006 -16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.851 -8.366 -16.572 1.00 0.00 H new ATOM 1007 N GLU A 69 -2.044 -4.610 -11.768 1.00 0.00 N ATOM 1008 CA GLU A 69 -2.163 -3.970 -10.463 1.00 0.00 C ATOM 1009 C GLU A 69 -2.190 -5.010 -9.347 1.00 0.00 C ATOM 1010 O GLU A 69 -3.001 -5.937 -9.366 1.00 0.00 O ATOM 1011 CB GLU A 69 -3.428 -3.111 -10.405 1.00 0.00 C ATOM 1012 CG GLU A 69 -4.704 -3.886 -10.690 1.00 0.00 C ATOM 1013 CD GLU A 69 -4.748 -4.439 -12.101 1.00 0.00 C ATOM 1014 OE1 GLU A 69 -4.187 -3.793 -13.010 1.00 0.00 O ATOM 1015 OE2 GLU A 69 -5.343 -5.519 -12.296 1.00 0.00 O ATOM 0 H GLU A 69 -2.670 -5.403 -11.908 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.292 -3.331 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.503 -2.655 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.338 -2.298 -11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.792 -4.707 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.563 -3.234 -10.532 1.00 0.00 H new ATOM 1022 N LEU A 70 -1.298 -4.851 -8.376 1.00 0.00 N ATOM 1023 CA LEU A 70 -1.218 -5.776 -7.251 1.00 0.00 C ATOM 1024 C LEU A 70 -1.661 -5.100 -5.957 1.00 0.00 C ATOM 1025 O LEU A 70 -1.607 -3.875 -5.834 1.00 0.00 O ATOM 1026 CB LEU A 70 0.210 -6.304 -7.100 1.00 0.00 C ATOM 1027 CG LEU A 70 0.539 -7.579 -7.877 1.00 0.00 C ATOM 1028 CD1 LEU A 70 -0.232 -8.762 -7.313 1.00 0.00 C ATOM 1029 CD2 LEU A 70 0.232 -7.397 -9.356 1.00 0.00 C ATOM 0 H LEU A 70 -0.620 -4.090 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.889 -6.611 -7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.901 -5.522 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.398 -6.488 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 70 1.605 -7.781 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.015 -9.660 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.037 -8.906 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.302 -8.568 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.472 -8.315 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.826 -7.169 -9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.830 -6.577 -9.753 1.00 0.00 H new ATOM 1041 N LEU A 71 -2.098 -5.905 -4.995 1.00 0.00 N ATOM 1042 CA LEU A 71 -2.548 -5.385 -3.708 1.00 0.00 C ATOM 1043 C LEU A 71 -1.910 -6.154 -2.556 1.00 0.00 C ATOM 1044 O LEU A 71 -1.956 -7.383 -2.518 1.00 0.00 O ATOM 1045 CB LEU A 71 -4.073 -5.467 -3.609 1.00 0.00 C ATOM 1046 CG LEU A 71 -4.745 -4.415 -2.725 1.00 0.00 C ATOM 1047 CD1 LEU A 71 -4.136 -4.420 -1.332 1.00 0.00 C ATOM 1048 CD2 LEU A 71 -4.628 -3.035 -3.356 1.00 0.00 C ATOM 0 H LEU A 71 -2.150 -6.920 -5.081 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.240 -4.342 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.487 -5.387 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.340 -6.454 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.803 -4.664 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.627 -3.665 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.273 -5.402 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.071 -4.197 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.112 -2.299 -2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.576 -2.777 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.113 -3.039 -4.332 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.317 -5.421 -1.619 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.671 -6.036 -0.465 1.00 0.00 C ATOM 1062 C GLU A 72 -1.496 -5.819 0.800 1.00 0.00 C ATOM 1063 O GLU A 72 -2.381 -4.965 0.837 1.00 0.00 O ATOM 1064 CB GLU A 72 0.735 -5.463 -0.275 1.00 0.00 C ATOM 1065 CG GLU A 72 1.700 -6.427 0.395 1.00 0.00 C ATOM 1066 CD GLU A 72 3.127 -5.915 0.398 1.00 0.00 C ATOM 1067 OE1 GLU A 72 3.315 -4.681 0.346 1.00 0.00 O ATOM 1068 OE2 GLU A 72 4.056 -6.748 0.453 1.00 0.00 O ATOM 0 H GLU A 72 -1.270 -4.402 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.597 -7.108 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.136 -5.178 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.670 -4.554 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.379 -6.602 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.664 -7.388 -0.119 1.00 0.00 H new ATOM 1075 N GLU A 73 -1.199 -6.599 1.834 1.00 0.00 N ATOM 1076 CA GLU A 73 -1.914 -6.493 3.101 1.00 0.00 C ATOM 1077 C GLU A 73 -0.939 -6.434 4.273 1.00 0.00 C ATOM 1078 O GLU A 73 -0.110 -7.325 4.451 1.00 0.00 O ATOM 1079 CB GLU A 73 -2.866 -7.678 3.275 1.00 0.00 C ATOM 1080 CG GLU A 73 -3.815 -7.875 2.104 1.00 0.00 C ATOM 1081 CD GLU A 73 -4.751 -9.051 2.302 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -4.264 -10.143 2.661 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -5.971 -8.878 2.098 1.00 0.00 O ATOM 0 H GLU A 73 -0.469 -7.311 1.820 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.493 -5.570 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.280 -8.587 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.450 -7.534 4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.403 -6.968 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.236 -8.026 1.193 1.00 0.00 H new ATOM 1090 N VAL A 74 -1.045 -5.375 5.070 1.00 0.00 N ATOM 1091 CA VAL A 74 -0.174 -5.198 6.226 1.00 0.00 C ATOM 1092 C VAL A 74 -0.978 -4.833 7.469 1.00 0.00 C ATOM 1093 O VAL A 74 -2.054 -4.244 7.375 1.00 0.00 O ATOM 1094 CB VAL A 74 0.881 -4.105 5.971 1.00 0.00 C ATOM 1095 CG1 VAL A 74 2.117 -4.699 5.312 1.00 0.00 C ATOM 1096 CG2 VAL A 74 0.296 -2.989 5.118 1.00 0.00 C ATOM 0 H VAL A 74 -1.725 -4.627 4.936 1.00 0.00 H new ATOM 0 HA VAL A 74 0.332 -6.150 6.390 1.00 0.00 H new ATOM 0 HB VAL A 74 1.179 -3.681 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.851 -3.912 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.547 -5.460 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.840 -5.151 4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.055 -2.225 4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.031 -3.396 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.556 -2.545 5.634 1.00 0.00 H new ATOM 1106 N GLY A 75 -0.447 -5.187 8.635 1.00 0.00 N ATOM 1107 CA GLY A 75 -1.128 -4.889 9.881 1.00 0.00 C ATOM 1108 C GLY A 75 -0.589 -3.641 10.553 1.00 0.00 C ATOM 1109 O GLY A 75 0.256 -2.944 9.992 1.00 0.00 O ATOM 0 H GLY A 75 0.443 -5.675 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.193 -4.763 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.025 -5.736 10.559 1.00 0.00 H new ATOM 1113 N GLN A 76 -1.080 -3.359 11.755 1.00 0.00 N ATOM 1114 CA GLN A 76 -0.643 -2.185 12.501 1.00 0.00 C ATOM 1115 C GLN A 76 0.767 -2.382 13.050 1.00 0.00 C ATOM 1116 O GLN A 76 1.529 -1.427 13.186 1.00 0.00 O ATOM 1117 CB GLN A 76 -1.612 -1.893 13.648 1.00 0.00 C ATOM 1118 CG GLN A 76 -1.752 -3.042 14.634 1.00 0.00 C ATOM 1119 CD GLN A 76 -2.680 -2.712 15.786 1.00 0.00 C ATOM 1120 OE1 GLN A 76 -3.814 -3.189 15.842 1.00 0.00 O ATOM 1121 NE2 GLN A 76 -2.203 -1.892 16.715 1.00 0.00 N ATOM 0 H GLN A 76 -1.780 -3.927 12.233 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.633 -1.336 11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.272 -1.006 14.183 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.593 -1.659 13.234 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.127 -3.921 14.111 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.769 -3.300 15.027 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.257 -1.519 16.630 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.782 -1.635 17.514 1.00 0.00 H new ATOM 1130 N ASN A 77 1.106 -3.629 13.363 1.00 0.00 N ATOM 1131 CA ASN A 77 2.423 -3.951 13.898 1.00 0.00 C ATOM 1132 C ASN A 77 3.514 -3.658 12.871 1.00 0.00 C ATOM 1133 O ASN A 77 4.406 -2.846 13.113 1.00 0.00 O ATOM 1134 CB ASN A 77 2.482 -5.422 14.314 1.00 0.00 C ATOM 1135 CG ASN A 77 3.878 -5.852 14.723 1.00 0.00 C ATOM 1136 OD1 ASN A 77 4.570 -5.141 15.451 1.00 0.00 O ATOM 1137 ND2 ASN A 77 4.297 -7.022 14.254 1.00 0.00 N ATOM 0 H ASN A 77 0.487 -4.432 13.255 1.00 0.00 H new ATOM 0 HA ASN A 77 2.595 -3.325 14.774 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.795 -5.590 15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.141 -6.045 13.487 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.227 -7.364 14.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.689 -7.578 13.653 1.00 0.00 H new ATOM 1144 N GLY A 78 3.433 -4.324 11.724 1.00 0.00 N ATOM 1145 CA GLY A 78 4.418 -4.121 10.677 1.00 0.00 C ATOM 1146 C GLY A 78 4.703 -2.653 10.426 1.00 0.00 C ATOM 1147 O GLY A 78 3.803 -1.892 10.071 1.00 0.00 O ATOM 0 H GLY A 78 2.703 -5.001 11.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.344 -4.626 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.064 -4.582 9.755 1.00 0.00 H new ATOM 1151 N SER A 79 5.957 -2.255 10.612 1.00 0.00 N ATOM 1152 CA SER A 79 6.356 -0.867 10.408 1.00 0.00 C ATOM 1153 C SER A 79 6.798 -0.635 8.966 1.00 0.00 C ATOM 1154 O SER A 79 6.970 0.505 8.534 1.00 0.00 O ATOM 1155 CB SER A 79 7.489 -0.494 11.366 1.00 0.00 C ATOM 1156 OG SER A 79 7.760 0.896 11.319 1.00 0.00 O ATOM 0 H SER A 79 6.714 -2.873 10.903 1.00 0.00 H new ATOM 0 HA SER A 79 5.493 -0.233 10.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.219 -0.781 12.382 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.388 -1.052 11.105 1.00 0.00 H new ATOM 0 HG SER A 79 7.493 1.252 10.446 1.00 0.00 H new ATOM 1162 N ARG A 80 6.979 -1.725 8.227 1.00 0.00 N ATOM 1163 CA ARG A 80 7.401 -1.641 6.834 1.00 0.00 C ATOM 1164 C ARG A 80 6.748 -2.740 6.001 1.00 0.00 C ATOM 1165 O ARG A 80 5.967 -3.541 6.514 1.00 0.00 O ATOM 1166 CB ARG A 80 8.924 -1.748 6.733 1.00 0.00 C ATOM 1167 CG ARG A 80 9.463 -3.126 7.083 1.00 0.00 C ATOM 1168 CD ARG A 80 9.653 -3.285 8.583 1.00 0.00 C ATOM 1169 NE ARG A 80 10.833 -2.571 9.064 1.00 0.00 N ATOM 1170 CZ ARG A 80 11.443 -2.848 10.210 1.00 0.00 C ATOM 1171 NH1 ARG A 80 10.989 -3.821 10.989 1.00 0.00 N ATOM 1172 NH2 ARG A 80 12.511 -2.153 10.580 1.00 0.00 N ATOM 0 H ARG A 80 6.840 -2.676 8.569 1.00 0.00 H new ATOM 0 HA ARG A 80 7.084 -0.674 6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.231 -1.494 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.376 -1.011 7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.776 -3.890 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 80 10.414 -3.285 6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.769 -2.915 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.745 -4.343 8.827 1.00 0.00 H new ATOM 0 HE ARG A 80 11.209 -1.818 8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.169 -4.359 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.460 -4.031 11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.864 -1.405 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.979 -2.367 11.461 1.00 0.00 H new ATOM 1186 N ALA A 81 7.072 -2.770 4.712 1.00 0.00 N ATOM 1187 CA ALA A 81 6.518 -3.771 3.808 1.00 0.00 C ATOM 1188 C ALA A 81 7.486 -4.079 2.671 1.00 0.00 C ATOM 1189 O ALA A 81 8.281 -3.228 2.272 1.00 0.00 O ATOM 1190 CB ALA A 81 5.182 -3.299 3.254 1.00 0.00 C ATOM 0 H ALA A 81 7.715 -2.113 4.271 1.00 0.00 H new ATOM 0 HA ALA A 81 6.360 -4.689 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.780 -4.056 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.484 -3.136 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.324 -2.366 2.708 1.00 0.00 H new ATOM 1196 N ARG A 82 7.414 -5.301 2.154 1.00 0.00 N ATOM 1197 CA ARG A 82 8.285 -5.722 1.063 1.00 0.00 C ATOM 1198 C ARG A 82 7.495 -6.467 -0.008 1.00 0.00 C ATOM 1199 O ARG A 82 6.582 -7.234 0.301 1.00 0.00 O ATOM 1200 CB ARG A 82 9.409 -6.613 1.595 1.00 0.00 C ATOM 1201 CG ARG A 82 10.453 -6.968 0.549 1.00 0.00 C ATOM 1202 CD ARG A 82 11.470 -7.959 1.090 1.00 0.00 C ATOM 1203 NE ARG A 82 10.830 -9.120 1.704 1.00 0.00 N ATOM 1204 CZ ARG A 82 10.429 -9.153 2.970 1.00 0.00 C ATOM 1205 NH1 ARG A 82 10.601 -8.095 3.751 1.00 0.00 N ATOM 1206 NH2 ARG A 82 9.855 -10.246 3.457 1.00 0.00 N ATOM 0 H ARG A 82 6.761 -6.017 2.473 1.00 0.00 H new ATOM 0 HA ARG A 82 8.719 -4.829 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.899 -6.107 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.976 -7.532 1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.962 -7.391 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.964 -6.063 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.120 -8.290 0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.104 -7.463 1.825 1.00 0.00 H new ATOM 0 HE ARG A 82 10.683 -9.950 1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.042 -7.253 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.292 -8.123 4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.721 -11.062 2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.547 -10.271 4.429 1.00 0.00 H new ATOM 1220 N ILE A 83 7.851 -6.236 -1.267 1.00 0.00 N ATOM 1221 CA ILE A 83 7.175 -6.885 -2.383 1.00 0.00 C ATOM 1222 C ILE A 83 8.180 -7.466 -3.372 1.00 0.00 C ATOM 1223 O ILE A 83 9.307 -6.983 -3.483 1.00 0.00 O ATOM 1224 CB ILE A 83 6.248 -5.906 -3.127 1.00 0.00 C ATOM 1225 CG1 ILE A 83 5.714 -4.843 -2.164 1.00 0.00 C ATOM 1226 CG2 ILE A 83 5.099 -6.658 -3.782 1.00 0.00 C ATOM 1227 CD1 ILE A 83 5.014 -3.696 -2.858 1.00 0.00 C ATOM 0 H ILE A 83 8.604 -5.604 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 83 6.575 -7.692 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 83 6.823 -5.407 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.021 -5.312 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.542 -4.449 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.453 -5.952 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.496 -7.381 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.523 -7.180 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.662 -2.981 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.710 -3.201 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.165 -4.078 -3.425 1.00 0.00 H new ATOM 1239 N SER A 84 7.764 -8.505 -4.089 1.00 0.00 N ATOM 1240 CA SER A 84 8.629 -9.153 -5.068 1.00 0.00 C ATOM 1241 C SER A 84 8.380 -8.596 -6.466 1.00 0.00 C ATOM 1242 O SER A 84 7.315 -8.803 -7.049 1.00 0.00 O ATOM 1243 CB SER A 84 8.399 -10.666 -5.060 1.00 0.00 C ATOM 1244 OG SER A 84 9.295 -11.322 -5.940 1.00 0.00 O ATOM 0 H SER A 84 6.834 -8.916 -4.010 1.00 0.00 H new ATOM 0 HA SER A 84 9.664 -8.949 -4.794 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.530 -11.052 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.372 -10.883 -5.354 1.00 0.00 H new ATOM 0 HG SER A 84 9.129 -12.288 -5.916 1.00 0.00 H new ATOM 1250 N VAL A 85 9.370 -7.888 -7.000 1.00 0.00 N ATOM 1251 CA VAL A 85 9.260 -7.301 -8.330 1.00 0.00 C ATOM 1252 C VAL A 85 8.491 -8.219 -9.273 1.00 0.00 C ATOM 1253 O VAL A 85 9.050 -9.167 -9.825 1.00 0.00 O ATOM 1254 CB VAL A 85 10.648 -7.011 -8.931 1.00 0.00 C ATOM 1255 CG1 VAL A 85 10.514 -6.451 -10.339 1.00 0.00 C ATOM 1256 CG2 VAL A 85 11.425 -6.054 -8.040 1.00 0.00 C ATOM 0 H VAL A 85 10.258 -7.707 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 85 8.717 -6.362 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 85 11.202 -7.948 -8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.505 -6.252 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.000 -7.175 -10.971 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.941 -5.524 -10.309 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.403 -5.860 -8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.877 -5.117 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.553 -6.498 -7.053 1.00 0.00 H new ATOM 1266 N GLN A 86 7.207 -7.930 -9.455 1.00 0.00 N ATOM 1267 CA GLN A 86 6.361 -8.730 -10.332 1.00 0.00 C ATOM 1268 C GLN A 86 6.658 -8.430 -11.797 1.00 0.00 C ATOM 1269 O GLN A 86 6.572 -9.311 -12.653 1.00 0.00 O ATOM 1270 CB GLN A 86 4.884 -8.464 -10.034 1.00 0.00 C ATOM 1271 CG GLN A 86 4.505 -8.702 -8.581 1.00 0.00 C ATOM 1272 CD GLN A 86 4.240 -10.164 -8.279 1.00 0.00 C ATOM 1273 OE1 GLN A 86 4.113 -10.985 -9.188 1.00 0.00 O ATOM 1274 NE2 GLN A 86 4.155 -10.498 -6.996 1.00 0.00 N ATOM 0 H GLN A 86 6.730 -7.148 -9.007 1.00 0.00 H new ATOM 0 HA GLN A 86 6.578 -9.781 -10.144 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.648 -7.433 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.272 -9.104 -10.670 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.307 -8.341 -7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.616 -8.118 -8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.267 -9.785 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.978 -11.467 -6.732 1.00 0.00 H new ATOM 1283 N VAL A 87 7.007 -7.179 -12.081 1.00 0.00 N ATOM 1284 CA VAL A 87 7.318 -6.761 -13.443 1.00 0.00 C ATOM 1285 C VAL A 87 8.586 -5.916 -13.483 1.00 0.00 C ATOM 1286 O VAL A 87 8.802 -5.060 -12.624 1.00 0.00 O ATOM 1287 CB VAL A 87 6.159 -5.958 -14.062 1.00 0.00 C ATOM 1288 CG1 VAL A 87 6.645 -5.154 -15.258 1.00 0.00 C ATOM 1289 CG2 VAL A 87 5.021 -6.886 -14.460 1.00 0.00 C ATOM 0 H VAL A 87 7.081 -6.437 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 87 7.472 -7.669 -14.025 1.00 0.00 H new ATOM 0 HB VAL A 87 5.784 -5.260 -13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.812 -4.593 -15.682 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.424 -4.461 -14.939 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.048 -5.830 -16.012 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.210 -6.302 -14.896 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.381 -7.610 -15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.656 -7.412 -13.578 1.00 0.00 H new ATOM 1299 N HIS A 88 9.422 -6.160 -14.487 1.00 0.00 N ATOM 1300 CA HIS A 88 10.670 -5.420 -14.640 1.00 0.00 C ATOM 1301 C HIS A 88 10.576 -4.430 -15.797 1.00 0.00 C ATOM 1302 O HIS A 88 9.837 -4.651 -16.756 1.00 0.00 O ATOM 1303 CB HIS A 88 11.834 -6.384 -14.871 1.00 0.00 C ATOM 1304 CG HIS A 88 12.439 -6.907 -13.605 1.00 0.00 C ATOM 1305 ND1 HIS A 88 12.348 -8.227 -13.216 1.00 0.00 N ATOM 1306 CD2 HIS A 88 13.149 -6.280 -12.638 1.00 0.00 C ATOM 1307 CE1 HIS A 88 12.974 -8.389 -12.064 1.00 0.00 C ATOM 1308 NE2 HIS A 88 13.470 -7.222 -11.692 1.00 0.00 N ATOM 0 H HIS A 88 9.258 -6.864 -15.207 1.00 0.00 H new ATOM 0 HA HIS A 88 10.848 -4.862 -13.721 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.485 -7.224 -15.471 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.606 -5.877 -15.450 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.414 -5.233 -12.615 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.065 -9.317 -11.519 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.004 -7.049 -10.841 1.00 0.00 H new ATOM 1317 N ASN A 89 11.328 -3.339 -15.699 1.00 0.00 N ATOM 1318 CA ASN A 89 11.328 -2.315 -16.737 1.00 0.00 C ATOM 1319 C ASN A 89 9.956 -1.659 -16.854 1.00 0.00 C ATOM 1320 O ASN A 89 9.476 -1.393 -17.955 1.00 0.00 O ATOM 1321 CB ASN A 89 11.732 -2.922 -18.082 1.00 0.00 C ATOM 1322 CG ASN A 89 11.972 -1.867 -19.144 1.00 0.00 C ATOM 1323 OD1 ASN A 89 11.040 -1.423 -19.815 1.00 0.00 O ATOM 1324 ND2 ASN A 89 13.227 -1.461 -19.302 1.00 0.00 N ATOM 0 H ASN A 89 11.945 -3.141 -14.911 1.00 0.00 H new ATOM 0 HA ASN A 89 12.054 -1.551 -16.458 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.637 -3.515 -17.952 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.950 -3.602 -18.420 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.450 -0.753 -20.002 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.968 -1.857 -18.723 1.00 0.00 H new ATOM 1331 N ALA A 90 9.330 -1.401 -15.710 1.00 0.00 N ATOM 1332 CA ALA A 90 8.014 -0.774 -15.684 1.00 0.00 C ATOM 1333 C ALA A 90 7.913 0.242 -14.551 1.00 0.00 C ATOM 1334 O ALA A 90 8.850 0.414 -13.771 1.00 0.00 O ATOM 1335 CB ALA A 90 6.928 -1.831 -15.547 1.00 0.00 C ATOM 0 H ALA A 90 9.713 -1.616 -14.790 1.00 0.00 H new ATOM 0 HA ALA A 90 7.872 -0.244 -16.626 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.951 -1.348 -15.529 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.979 -2.516 -16.393 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.076 -2.386 -14.621 1.00 0.00 H new ATOM 1341 N THR A 91 6.769 0.914 -14.466 1.00 0.00 N ATOM 1342 CA THR A 91 6.545 1.914 -13.430 1.00 0.00 C ATOM 1343 C THR A 91 5.581 1.400 -12.368 1.00 0.00 C ATOM 1344 O THR A 91 4.472 0.964 -12.681 1.00 0.00 O ATOM 1345 CB THR A 91 5.989 3.223 -14.022 1.00 0.00 C ATOM 1346 OG1 THR A 91 4.923 2.933 -14.934 1.00 0.00 O ATOM 1347 CG2 THR A 91 7.081 3.999 -14.742 1.00 0.00 C ATOM 0 H THR A 91 5.983 0.783 -15.103 1.00 0.00 H new ATOM 0 HA THR A 91 7.513 2.114 -12.971 1.00 0.00 H new ATOM 0 HB THR A 91 5.611 3.835 -13.203 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.573 3.770 -15.305 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.664 4.919 -15.151 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.878 4.243 -14.039 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.485 3.392 -15.552 1.00 0.00 H new ATOM 1355 N CYS A 92 6.008 1.453 -11.111 1.00 0.00 N ATOM 1356 CA CYS A 92 5.181 0.992 -10.002 1.00 0.00 C ATOM 1357 C CYS A 92 4.831 2.146 -9.068 1.00 0.00 C ATOM 1358 O CYS A 92 5.709 2.881 -8.615 1.00 0.00 O ATOM 1359 CB CYS A 92 5.903 -0.109 -9.224 1.00 0.00 C ATOM 1360 SG CYS A 92 4.952 -0.780 -7.840 1.00 0.00 S ATOM 0 H CYS A 92 6.922 1.811 -10.835 1.00 0.00 H new ATOM 0 HA CYS A 92 4.256 0.589 -10.414 1.00 0.00 H new ATOM 0 HB2 CYS A 92 6.150 -0.921 -9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 92 6.845 0.287 -8.845 1.00 0.00 H new ATOM 0 HG CYS A 92 4.735 -2.047 -8.036 1.00 0.00 H new ATOM 1366 N THR A 93 3.541 2.301 -8.785 1.00 0.00 N ATOM 1367 CA THR A 93 3.074 3.367 -7.908 1.00 0.00 C ATOM 1368 C THR A 93 2.697 2.824 -6.535 1.00 0.00 C ATOM 1369 O THR A 93 1.758 2.038 -6.403 1.00 0.00 O ATOM 1370 CB THR A 93 1.860 4.099 -8.510 1.00 0.00 C ATOM 1371 OG1 THR A 93 2.029 4.247 -9.924 1.00 0.00 O ATOM 1372 CG2 THR A 93 1.679 5.466 -7.869 1.00 0.00 C ATOM 0 H THR A 93 2.801 1.701 -9.151 1.00 0.00 H new ATOM 0 HA THR A 93 3.898 4.073 -7.802 1.00 0.00 H new ATOM 0 HB THR A 93 0.969 3.503 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.252 4.712 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.816 5.964 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.520 5.347 -6.797 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.571 6.069 -8.039 1.00 0.00 H new ATOM 1380 N VAL A 94 3.433 3.248 -5.512 1.00 0.00 N ATOM 1381 CA VAL A 94 3.174 2.805 -4.148 1.00 0.00 C ATOM 1382 C VAL A 94 2.223 3.757 -3.432 1.00 0.00 C ATOM 1383 O VAL A 94 2.294 4.973 -3.612 1.00 0.00 O ATOM 1384 CB VAL A 94 4.479 2.693 -3.337 1.00 0.00 C ATOM 1385 CG1 VAL A 94 4.225 1.993 -2.010 1.00 0.00 C ATOM 1386 CG2 VAL A 94 5.544 1.961 -4.139 1.00 0.00 C ATOM 0 H VAL A 94 4.214 3.898 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 94 2.713 1.820 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 94 4.842 3.699 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.158 1.923 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.497 2.562 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.837 0.991 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.459 1.891 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.192 0.959 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.746 2.508 -5.060 1.00 0.00 H new ATOM 1396 N ARG A 95 1.334 3.197 -2.619 1.00 0.00 N ATOM 1397 CA ARG A 95 0.368 3.996 -1.875 1.00 0.00 C ATOM 1398 C ARG A 95 -0.090 3.265 -0.617 1.00 0.00 C ATOM 1399 O ARG A 95 -0.579 2.137 -0.686 1.00 0.00 O ATOM 1400 CB ARG A 95 -0.840 4.324 -2.755 1.00 0.00 C ATOM 1401 CG ARG A 95 -0.500 5.189 -3.958 1.00 0.00 C ATOM 1402 CD ARG A 95 -1.754 5.658 -4.679 1.00 0.00 C ATOM 1403 NE ARG A 95 -2.426 6.738 -3.961 1.00 0.00 N ATOM 1404 CZ ARG A 95 -3.528 7.337 -4.399 1.00 0.00 C ATOM 1405 NH1 ARG A 95 -4.079 6.964 -5.546 1.00 0.00 N ATOM 1406 NH2 ARG A 95 -4.081 8.312 -3.689 1.00 0.00 N ATOM 0 H ARG A 95 1.263 2.192 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 95 0.856 4.924 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.289 3.394 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.591 4.834 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.079 6.053 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.128 4.625 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.491 5.997 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.440 4.819 -4.797 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.028 7.049 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.657 6.215 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.925 7.426 -5.879 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.660 8.602 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.927 8.771 -4.026 1.00 0.00 H new ATOM 1420 N ILE A 96 0.072 3.914 0.531 1.00 0.00 N ATOM 1421 CA ILE A 96 -0.325 3.326 1.804 1.00 0.00 C ATOM 1422 C ILE A 96 -1.498 4.082 2.417 1.00 0.00 C ATOM 1423 O ILE A 96 -1.614 5.298 2.265 1.00 0.00 O ATOM 1424 CB ILE A 96 0.844 3.314 2.807 1.00 0.00 C ATOM 1425 CG1 ILE A 96 2.103 2.744 2.150 1.00 0.00 C ATOM 1426 CG2 ILE A 96 0.473 2.506 4.042 1.00 0.00 C ATOM 1427 CD1 ILE A 96 3.175 2.347 3.141 1.00 0.00 C ATOM 0 H ILE A 96 0.476 4.848 0.606 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.626 2.299 1.597 1.00 0.00 H new ATOM 0 HB ILE A 96 1.050 4.339 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.830 1.873 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.511 3.485 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.309 2.506 4.742 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.400 2.951 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.244 1.481 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.038 1.952 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.477 3.220 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.784 1.583 3.813 1.00 0.00 H new ATOM 1439 N ALA A 97 -2.366 3.354 3.111 1.00 0.00 N ATOM 1440 CA ALA A 97 -3.529 3.956 3.751 1.00 0.00 C ATOM 1441 C ALA A 97 -3.791 3.329 5.116 1.00 0.00 C ATOM 1442 O ALA A 97 -3.592 2.130 5.308 1.00 0.00 O ATOM 1443 CB ALA A 97 -4.754 3.815 2.860 1.00 0.00 C ATOM 0 H ALA A 97 -2.286 2.346 3.245 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.322 5.016 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.615 4.269 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.572 4.316 1.909 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.954 2.759 2.681 1.00 0.00 H new ATOM 1449 N ALA A 98 -4.238 4.148 6.063 1.00 0.00 N ATOM 1450 CA ALA A 98 -4.529 3.673 7.410 1.00 0.00 C ATOM 1451 C ALA A 98 -5.876 2.961 7.462 1.00 0.00 C ATOM 1452 O ALA A 98 -6.901 3.521 7.072 1.00 0.00 O ATOM 1453 CB ALA A 98 -4.503 4.832 8.395 1.00 0.00 C ATOM 0 H ALA A 98 -4.406 5.144 5.922 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.758 2.955 7.690 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.722 4.463 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -3.516 5.295 8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.252 5.570 8.108 1.00 0.00 H new ATOM 1459 N VAL A 99 -5.868 1.724 7.947 1.00 0.00 N ATOM 1460 CA VAL A 99 -7.090 0.935 8.051 1.00 0.00 C ATOM 1461 C VAL A 99 -7.490 0.730 9.508 1.00 0.00 C ATOM 1462 O VAL A 99 -6.641 0.499 10.370 1.00 0.00 O ATOM 1463 CB VAL A 99 -6.930 -0.440 7.376 1.00 0.00 C ATOM 1464 CG1 VAL A 99 -8.086 -1.356 7.748 1.00 0.00 C ATOM 1465 CG2 VAL A 99 -6.828 -0.283 5.866 1.00 0.00 C ATOM 0 H VAL A 99 -5.029 1.246 8.274 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.872 1.495 7.538 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.007 -0.896 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.955 -2.323 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.108 -1.494 8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.025 -0.909 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.715 -1.264 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.732 0.194 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.963 0.334 5.622 1.00 0.00 H new ATOM 1475 N THR A 100 -8.789 0.816 9.777 1.00 0.00 N ATOM 1476 CA THR A 100 -9.302 0.641 11.130 1.00 0.00 C ATOM 1477 C THR A 100 -10.402 -0.413 11.168 1.00 0.00 C ATOM 1478 O THR A 100 -10.752 -0.997 10.142 1.00 0.00 O ATOM 1479 CB THR A 100 -9.854 1.963 11.697 1.00 0.00 C ATOM 1480 OG1 THR A 100 -10.782 2.542 10.774 1.00 0.00 O ATOM 1481 CG2 THR A 100 -8.726 2.945 11.974 1.00 0.00 C ATOM 0 H THR A 100 -9.505 1.006 9.076 1.00 0.00 H new ATOM 0 HA THR A 100 -8.465 0.312 11.745 1.00 0.00 H new ATOM 0 HB THR A 100 -10.364 1.746 12.636 1.00 0.00 H new ATOM 0 HG1 THR A 100 -10.539 2.284 9.860 1.00 0.00 H new ATOM 0 HG21 THR A 100 -9.140 3.871 12.374 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.037 2.512 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 100 -8.192 3.156 11.048 1.00 0.00 H new ATOM 1489 N ARG A 101 -10.945 -0.653 12.357 1.00 0.00 N ATOM 1490 CA ARG A 101 -12.005 -1.638 12.529 1.00 0.00 C ATOM 1491 C ARG A 101 -13.361 -1.049 12.151 1.00 0.00 C ATOM 1492 O ARG A 101 -14.404 -1.646 12.414 1.00 0.00 O ATOM 1493 CB ARG A 101 -12.039 -2.136 13.975 1.00 0.00 C ATOM 1494 CG ARG A 101 -11.162 -3.353 14.220 1.00 0.00 C ATOM 1495 CD ARG A 101 -11.923 -4.647 13.975 1.00 0.00 C ATOM 1496 NE ARG A 101 -11.223 -5.806 14.522 1.00 0.00 N ATOM 1497 CZ ARG A 101 -10.093 -6.287 14.017 1.00 0.00 C ATOM 1498 NH1 ARG A 101 -9.538 -5.712 12.959 1.00 0.00 N ATOM 1499 NH2 ARG A 101 -9.515 -7.346 14.570 1.00 0.00 N ATOM 0 H ARG A 101 -10.668 -0.178 13.216 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.796 -2.479 11.867 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.720 -1.330 14.636 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -13.067 -2.380 14.243 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.291 -3.313 13.566 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.792 -3.336 15.245 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.913 -4.576 14.425 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.069 -4.784 12.904 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.624 -6.271 15.336 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.979 -4.898 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -8.670 -6.084 12.573 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.939 -7.791 15.384 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.647 -7.714 14.181 1.00 0.00 H new ATOM 1513 N GLY A 102 -13.338 0.128 11.533 1.00 0.00 N ATOM 1514 CA GLY A 102 -14.571 0.779 11.130 1.00 0.00 C ATOM 1515 C GLY A 102 -14.608 1.081 9.645 1.00 0.00 C ATOM 1516 O GLY A 102 -15.628 0.873 8.988 1.00 0.00 O ATOM 0 H GLY A 102 -12.487 0.642 11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.416 0.142 11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.688 1.707 11.690 1.00 0.00 H new ATOM 1520 N GLY A 103 -13.494 1.574 9.114 1.00 0.00 N ATOM 1521 CA GLY A 103 -13.425 1.899 7.701 1.00 0.00 C ATOM 1522 C GLY A 103 -12.017 2.234 7.251 1.00 0.00 C ATOM 1523 O GLY A 103 -11.184 2.654 8.054 1.00 0.00 O ATOM 0 H GLY A 103 -12.637 1.754 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.798 1.056 7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.080 2.745 7.494 1.00 0.00 H new ATOM 1527 N VAL A 104 -11.749 2.046 5.962 1.00 0.00 N ATOM 1528 CA VAL A 104 -10.432 2.331 5.406 1.00 0.00 C ATOM 1529 C VAL A 104 -10.287 3.809 5.065 1.00 0.00 C ATOM 1530 O VAL A 104 -11.157 4.398 4.424 1.00 0.00 O ATOM 1531 CB VAL A 104 -10.165 1.494 4.141 1.00 0.00 C ATOM 1532 CG1 VAL A 104 -11.110 1.903 3.021 1.00 0.00 C ATOM 1533 CG2 VAL A 104 -8.715 1.639 3.704 1.00 0.00 C ATOM 0 H VAL A 104 -12.427 1.698 5.284 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.701 2.065 6.170 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.348 0.445 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.907 1.301 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.141 1.745 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.961 2.957 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.543 1.041 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.503 2.686 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.058 1.294 4.502 1.00 0.00 H new ATOM 1543 N GLY A 105 -9.180 4.406 5.499 1.00 0.00 N ATOM 1544 CA GLY A 105 -8.941 5.811 5.229 1.00 0.00 C ATOM 1545 C GLY A 105 -8.259 6.038 3.895 1.00 0.00 C ATOM 1546 O GLY A 105 -7.900 5.095 3.189 1.00 0.00 O ATOM 0 H GLY A 105 -8.445 3.941 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.890 6.347 5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.325 6.231 6.024 1.00 0.00 H new ATOM 1550 N PRO A 106 -8.073 7.315 3.530 1.00 0.00 N ATOM 1551 CA PRO A 106 -7.430 7.693 2.268 1.00 0.00 C ATOM 1552 C PRO A 106 -5.940 7.371 2.258 1.00 0.00 C ATOM 1553 O PRO A 106 -5.264 7.479 3.281 1.00 0.00 O ATOM 1554 CB PRO A 106 -7.651 9.206 2.196 1.00 0.00 C ATOM 1555 CG PRO A 106 -7.805 9.634 3.615 1.00 0.00 C ATOM 1556 CD PRO A 106 -8.477 8.490 4.322 1.00 0.00 C ATOM 0 HA PRO A 106 -7.844 7.148 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -6.808 9.707 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.538 9.449 1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.836 9.855 4.063 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.404 10.542 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.148 8.409 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.560 8.609 4.340 1.00 0.00 H new ATOM 1564 N PHE A 107 -5.433 6.975 1.095 1.00 0.00 N ATOM 1565 CA PHE A 107 -4.022 6.637 0.952 1.00 0.00 C ATOM 1566 C PHE A 107 -3.162 7.897 0.908 1.00 0.00 C ATOM 1567 O PHE A 107 -3.674 9.005 0.754 1.00 0.00 O ATOM 1568 CB PHE A 107 -3.800 5.809 -0.316 1.00 0.00 C ATOM 1569 CG PHE A 107 -4.343 4.412 -0.223 1.00 0.00 C ATOM 1570 CD1 PHE A 107 -5.683 4.193 0.055 1.00 0.00 C ATOM 1571 CD2 PHE A 107 -3.515 3.318 -0.415 1.00 0.00 C ATOM 1572 CE1 PHE A 107 -6.185 2.909 0.142 1.00 0.00 C ATOM 1573 CE2 PHE A 107 -4.012 2.031 -0.330 1.00 0.00 C ATOM 1574 CZ PHE A 107 -5.349 1.826 -0.052 1.00 0.00 C ATOM 0 H PHE A 107 -5.978 6.880 0.238 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.726 6.047 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.269 6.317 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.732 5.762 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -6.342 5.035 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.469 3.473 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.231 2.752 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.355 1.187 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.740 0.822 0.014 1.00 0.00 H new ATOM 1584 N SER A 108 -1.852 7.717 1.045 1.00 0.00 N ATOM 1585 CA SER A 108 -0.921 8.839 1.025 1.00 0.00 C ATOM 1586 C SER A 108 -0.577 9.235 -0.408 1.00 0.00 C ATOM 1587 O SER A 108 -1.107 8.669 -1.364 1.00 0.00 O ATOM 1588 CB SER A 108 0.357 8.482 1.788 1.00 0.00 C ATOM 1589 OG SER A 108 0.996 7.355 1.212 1.00 0.00 O ATOM 0 H SER A 108 -1.412 6.806 1.171 1.00 0.00 H new ATOM 0 HA SER A 108 -1.402 9.687 1.512 1.00 0.00 H new ATOM 0 HB2 SER A 108 1.038 9.333 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.116 8.274 2.831 1.00 0.00 H new ATOM 0 HG SER A 108 1.343 6.777 1.923 1.00 0.00 H new ATOM 1595 N ASP A 109 0.313 10.211 -0.548 1.00 0.00 N ATOM 1596 CA ASP A 109 0.729 10.684 -1.863 1.00 0.00 C ATOM 1597 C ASP A 109 1.364 9.556 -2.670 1.00 0.00 C ATOM 1598 O ASP A 109 2.230 8.825 -2.187 1.00 0.00 O ATOM 1599 CB ASP A 109 1.714 11.845 -1.723 1.00 0.00 C ATOM 1600 CG ASP A 109 1.277 12.852 -0.678 1.00 0.00 C ATOM 1601 OD1 ASP A 109 0.549 13.801 -1.036 1.00 0.00 O ATOM 1602 OD2 ASP A 109 1.664 12.692 0.499 1.00 0.00 O ATOM 0 H ASP A 109 0.760 10.690 0.233 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.157 11.032 -2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 109 2.696 11.454 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.819 12.347 -2.685 1.00 0.00 H new ATOM 1607 N PRO A 110 0.926 9.408 -3.929 1.00 0.00 N ATOM 1608 CA PRO A 110 1.438 8.370 -4.829 1.00 0.00 C ATOM 1609 C PRO A 110 2.877 8.634 -5.257 1.00 0.00 C ATOM 1610 O PRO A 110 3.261 9.776 -5.509 1.00 0.00 O ATOM 1611 CB PRO A 110 0.498 8.451 -6.034 1.00 0.00 C ATOM 1612 CG PRO A 110 -0.019 9.848 -6.019 1.00 0.00 C ATOM 1613 CD PRO A 110 -0.104 10.243 -4.570 1.00 0.00 C ATOM 0 HA PRO A 110 1.458 7.390 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.026 8.234 -6.963 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.313 7.728 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 110 0.646 10.516 -6.567 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.996 9.907 -6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.096 11.305 -4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.094 10.048 -4.157 1.00 0.00 H new ATOM 1621 N VAL A 111 3.670 7.570 -5.339 1.00 0.00 N ATOM 1622 CA VAL A 111 5.067 7.686 -5.739 1.00 0.00 C ATOM 1623 C VAL A 111 5.380 6.767 -6.914 1.00 0.00 C ATOM 1624 O VAL A 111 5.310 5.543 -6.796 1.00 0.00 O ATOM 1625 CB VAL A 111 6.015 7.350 -4.572 1.00 0.00 C ATOM 1626 CG1 VAL A 111 6.142 5.844 -4.404 1.00 0.00 C ATOM 1627 CG2 VAL A 111 7.378 7.988 -4.793 1.00 0.00 C ATOM 0 H VAL A 111 3.368 6.618 -5.134 1.00 0.00 H new ATOM 0 HA VAL A 111 5.225 8.722 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 111 5.593 7.759 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.815 5.626 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 111 5.161 5.417 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.541 5.408 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.035 7.740 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.810 7.611 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.267 9.070 -4.858 1.00 0.00 H new ATOM 1637 N LYS A 112 5.728 7.364 -8.049 1.00 0.00 N ATOM 1638 CA LYS A 112 6.055 6.601 -9.247 1.00 0.00 C ATOM 1639 C LYS A 112 7.534 6.231 -9.270 1.00 0.00 C ATOM 1640 O LYS A 112 8.398 7.098 -9.404 1.00 0.00 O ATOM 1641 CB LYS A 112 5.699 7.403 -10.501 1.00 0.00 C ATOM 1642 CG LYS A 112 5.698 6.574 -11.774 1.00 0.00 C ATOM 1643 CD LYS A 112 5.789 7.452 -13.011 1.00 0.00 C ATOM 1644 CE LYS A 112 5.070 6.823 -14.194 1.00 0.00 C ATOM 1645 NZ LYS A 112 3.645 7.247 -14.266 1.00 0.00 N ATOM 0 H LYS A 112 5.791 8.376 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 112 5.469 5.682 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.714 7.851 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.409 8.222 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.538 5.879 -11.757 1.00 0.00 H new ATOM 0 HG3 LYS A 112 4.789 5.975 -11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.355 8.429 -12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.836 7.617 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.579 7.100 -15.117 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.122 5.737 -14.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.190 6.797 -15.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.153 6.960 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.595 8.281 -14.367 1.00 0.00 H new ATOM 1659 N ILE A 113 7.819 4.939 -9.140 1.00 0.00 N ATOM 1660 CA ILE A 113 9.194 4.456 -9.148 1.00 0.00 C ATOM 1661 C ILE A 113 9.482 3.641 -10.404 1.00 0.00 C ATOM 1662 O ILE A 113 8.684 2.793 -10.804 1.00 0.00 O ATOM 1663 CB ILE A 113 9.495 3.593 -7.909 1.00 0.00 C ATOM 1664 CG1 ILE A 113 10.809 2.831 -8.098 1.00 0.00 C ATOM 1665 CG2 ILE A 113 8.349 2.627 -7.646 1.00 0.00 C ATOM 1666 CD1 ILE A 113 11.530 2.541 -6.800 1.00 0.00 C ATOM 0 H ILE A 113 7.116 4.209 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 113 9.838 5.335 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 113 9.598 4.248 -7.044 1.00 0.00 H new ATOM 0 HG12 ILE A 113 10.604 1.890 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.465 3.410 -8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.576 2.024 -6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.432 3.189 -7.473 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.217 1.975 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 113 12.452 1.999 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.766 3.479 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.892 1.936 -6.157 1.00 0.00 H new ATOM 1678 N PHE A 114 10.630 3.901 -11.022 1.00 0.00 N ATOM 1679 CA PHE A 114 11.025 3.191 -12.233 1.00 0.00 C ATOM 1680 C PHE A 114 11.738 1.886 -11.889 1.00 0.00 C ATOM 1681 O PHE A 114 12.766 1.889 -11.212 1.00 0.00 O ATOM 1682 CB PHE A 114 11.934 4.072 -13.092 1.00 0.00 C ATOM 1683 CG PHE A 114 12.744 3.299 -14.093 1.00 0.00 C ATOM 1684 CD1 PHE A 114 13.973 2.763 -13.744 1.00 0.00 C ATOM 1685 CD2 PHE A 114 12.278 3.109 -15.384 1.00 0.00 C ATOM 1686 CE1 PHE A 114 14.722 2.052 -14.662 1.00 0.00 C ATOM 1687 CE2 PHE A 114 13.022 2.398 -16.306 1.00 0.00 C ATOM 1688 CZ PHE A 114 14.246 1.870 -15.946 1.00 0.00 C ATOM 0 H PHE A 114 11.303 4.598 -10.704 1.00 0.00 H new ATOM 0 HA PHE A 114 10.123 2.954 -12.797 1.00 0.00 H new ATOM 0 HB2 PHE A 114 11.324 4.806 -13.619 1.00 0.00 H new ATOM 0 HB3 PHE A 114 12.609 4.628 -12.441 1.00 0.00 H new ATOM 0 HD1 PHE A 114 14.350 2.903 -12.742 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.322 3.521 -15.673 1.00 0.00 H new ATOM 0 HE1 PHE A 114 15.678 1.639 -14.376 1.00 0.00 H new ATOM 0 HE2 PHE A 114 12.646 2.255 -17.308 1.00 0.00 H new ATOM 0 HZ PHE A 114 14.830 1.316 -16.666 1.00 0.00 H new ATOM 1698 N ILE A 115 11.184 0.775 -12.361 1.00 0.00 N ATOM 1699 CA ILE A 115 11.767 -0.537 -12.105 1.00 0.00 C ATOM 1700 C ILE A 115 12.801 -0.896 -13.168 1.00 0.00 C ATOM 1701 O ILE A 115 12.476 -1.130 -14.332 1.00 0.00 O ATOM 1702 CB ILE A 115 10.688 -1.634 -12.064 1.00 0.00 C ATOM 1703 CG1 ILE A 115 9.474 -1.156 -11.265 1.00 0.00 C ATOM 1704 CG2 ILE A 115 11.255 -2.912 -11.462 1.00 0.00 C ATOM 1705 CD1 ILE A 115 9.662 -1.248 -9.767 1.00 0.00 C ATOM 0 H ILE A 115 10.333 0.756 -12.923 1.00 0.00 H new ATOM 0 HA ILE A 115 12.254 -0.481 -11.131 1.00 0.00 H new ATOM 0 HB ILE A 115 10.368 -1.846 -13.084 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.257 -0.122 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 115 8.605 -1.748 -11.551 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.480 -3.679 -11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 115 12.092 -3.259 -12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 115 11.599 -2.714 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 115 8.762 -0.893 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 115 9.849 -2.285 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 115 10.511 -0.633 -9.468 1.00 0.00 H new ATOM 1717 N PRO A 116 14.078 -0.943 -12.759 1.00 0.00 N ATOM 1718 CA PRO A 116 15.185 -1.275 -13.660 1.00 0.00 C ATOM 1719 C PRO A 116 15.166 -2.739 -14.087 1.00 0.00 C ATOM 1720 O PRO A 116 15.118 -3.639 -13.249 1.00 0.00 O ATOM 1721 CB PRO A 116 16.429 -0.981 -12.817 1.00 0.00 C ATOM 1722 CG PRO A 116 15.973 -1.125 -11.406 1.00 0.00 C ATOM 1723 CD PRO A 116 14.538 -0.675 -11.386 1.00 0.00 C ATOM 0 HA PRO A 116 15.138 -0.707 -14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.236 -1.678 -13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.810 0.022 -13.010 1.00 0.00 H new ATOM 0 HG2 PRO A 116 16.063 -2.158 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.582 -0.518 -10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.953 -1.228 -10.651 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.452 0.381 -11.132 1.00 0.00 H new ATOM 1731 N ALA A 117 15.203 -2.969 -15.395 1.00 0.00 N ATOM 1732 CA ALA A 117 15.192 -4.324 -15.933 1.00 0.00 C ATOM 1733 C ALA A 117 16.067 -5.253 -15.099 1.00 0.00 C ATOM 1734 O ALA A 117 17.001 -4.808 -14.430 1.00 0.00 O ATOM 1735 CB ALA A 117 15.655 -4.320 -17.383 1.00 0.00 C ATOM 0 H ALA A 117 15.241 -2.235 -16.102 1.00 0.00 H new ATOM 0 HA ALA A 117 14.169 -4.697 -15.891 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.642 -5.338 -17.772 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.987 -3.696 -17.977 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.668 -3.923 -17.440 1.00 0.00 H new