USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 728 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 57 GLN : amide:sc= 1.63 K(o=1.1,f=-4.7) USER MOD Set 1.2: A 77 ASN : amide:sc= -2.76! C(o=1.1!,f=-2.4!) USER MOD Set 1.3: A 79 SER OG : rot -45:sc= 2.19 USER MOD Single : A 20 GLN : amide:sc= -0.805 K(o=-0.8,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 47 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.76) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -30:sc= -9.87! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.141 K(o=0.14,f=-2.6!) USER MOD Single : A 66 SER OG : rot 20:sc= 0.0366 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.78 K(o=-2.8,f=-6.4!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.44) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.321 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 165:sc= 1.17 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N LEU A 17 -5.272 -6.974 -2.197 1.00 0.00 N ATOM 204 CA LEU A 17 -4.098 -6.150 -1.962 1.00 0.00 C ATOM 205 C LEU A 17 -4.096 -5.673 -0.509 1.00 0.00 C ATOM 206 O LEU A 17 -5.155 -5.501 0.093 1.00 0.00 O ATOM 207 CB LEU A 17 -4.029 -5.012 -2.983 1.00 0.00 C ATOM 208 CG LEU A 17 -3.628 -5.410 -4.405 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.276 -4.485 -5.437 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.106 -5.455 -4.552 1.00 0.00 C ATOM 0 HA LEU A 17 -3.189 -6.733 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.005 -4.528 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.319 -4.268 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.001 -6.416 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.974 -4.790 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.361 -4.546 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.955 -3.459 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.847 -5.740 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.690 -4.471 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.695 -6.185 -3.855 1.00 0.00 H new ATOM 222 N TRP A 18 -2.895 -5.474 0.014 1.00 0.00 N ATOM 223 CA TRP A 18 -2.742 -5.020 1.386 1.00 0.00 C ATOM 224 C TRP A 18 -1.291 -4.575 1.578 1.00 0.00 C ATOM 225 O TRP A 18 -0.444 -4.821 0.720 1.00 0.00 O ATOM 226 CB TRP A 18 -3.170 -6.107 2.374 1.00 0.00 C ATOM 227 CG TRP A 18 -2.514 -7.467 2.126 1.00 0.00 C ATOM 228 CD1 TRP A 18 -2.908 -8.431 1.282 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.325 -7.977 2.764 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.063 -9.521 1.331 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.070 -9.236 2.261 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.492 -7.394 3.736 1.00 0.00 C ATOM 233 CZ2 TRP A 18 0.017 -10.020 2.668 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.589 -8.190 4.132 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.860 -9.459 3.635 1.00 0.00 C ATOM 0 H TRP A 18 -2.019 -5.619 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.396 -4.171 1.586 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.931 -5.779 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.253 -6.223 2.324 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.777 -8.363 0.644 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.151 -10.378 0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.672 -6.410 4.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.195 -11.003 2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.260 -7.789 4.877 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.717 -10.010 3.993 1.00 0.00 H new ATOM 246 N LEU A 19 -1.048 -3.929 2.709 1.00 0.00 N ATOM 247 CA LEU A 19 0.286 -3.448 3.024 1.00 0.00 C ATOM 248 C LEU A 19 0.839 -4.233 4.215 1.00 0.00 C ATOM 249 O LEU A 19 0.102 -4.555 5.146 1.00 0.00 O ATOM 250 CB LEU A 19 0.273 -1.933 3.239 1.00 0.00 C ATOM 251 CG LEU A 19 -0.406 -1.106 2.145 1.00 0.00 C ATOM 252 CD1 LEU A 19 -0.833 0.263 2.678 1.00 0.00 C ATOM 253 CD2 LEU A 19 0.491 -0.987 0.912 1.00 0.00 C ATOM 0 H LEU A 19 -1.753 -3.728 3.418 1.00 0.00 H new ATOM 0 HA LEU A 19 0.961 -3.622 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.225 -1.725 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.303 -1.591 3.339 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.312 -1.627 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.313 0.830 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.535 0.130 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.044 0.805 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.015 -0.395 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.426 -0.500 1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.702 -1.981 0.518 1.00 0.00 H new ATOM 265 N GLN A 20 2.131 -4.519 4.147 1.00 0.00 N ATOM 266 CA GLN A 20 2.790 -5.261 5.208 1.00 0.00 C ATOM 267 C GLN A 20 3.702 -4.335 6.015 1.00 0.00 C ATOM 268 O GLN A 20 4.497 -3.589 5.445 1.00 0.00 O ATOM 269 CB GLN A 20 3.575 -6.446 4.642 1.00 0.00 C ATOM 270 CG GLN A 20 4.163 -7.301 5.767 1.00 0.00 C ATOM 271 CD GLN A 20 3.090 -8.193 6.395 1.00 0.00 C ATOM 272 OE1 GLN A 20 2.265 -7.757 7.181 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.147 -9.464 6.006 1.00 0.00 N ATOM 0 H GLN A 20 2.739 -4.250 3.373 1.00 0.00 H new ATOM 0 HA GLN A 20 2.026 -5.659 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.921 -7.057 4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.377 -6.082 4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.971 -7.919 5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.597 -6.655 6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.864 -9.763 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.474 -10.139 6.369 1.00 0.00 H new ATOM 349 N PRO A 27 -1.466 -3.457 11.951 1.00 0.00 N ATOM 350 CA PRO A 27 -1.915 -4.655 11.262 1.00 0.00 C ATOM 351 C PRO A 27 -1.944 -4.439 9.748 1.00 0.00 C ATOM 352 O PRO A 27 -1.728 -3.325 9.272 1.00 0.00 O ATOM 353 CB PRO A 27 -3.286 -4.954 11.846 1.00 0.00 C ATOM 354 CG PRO A 27 -3.753 -3.663 12.497 1.00 0.00 C ATOM 355 CD PRO A 27 -2.552 -2.737 12.609 1.00 0.00 C ATOM 0 HA PRO A 27 -1.242 -5.500 11.406 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.980 -5.273 11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.232 -5.762 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.539 -3.198 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.174 -3.863 13.482 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.743 -1.780 12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.312 -2.524 13.651 1.00 0.00 H new ATOM 363 N PRO A 28 -2.220 -5.550 9.014 1.00 0.00 N ATOM 364 CA PRO A 28 -2.280 -5.493 7.563 1.00 0.00 C ATOM 365 C PRO A 28 -3.571 -4.820 7.094 1.00 0.00 C ATOM 366 O PRO A 28 -4.650 -5.404 7.189 1.00 0.00 O ATOM 367 CB PRO A 28 -2.164 -6.938 7.107 1.00 0.00 C ATOM 368 CG PRO A 28 -2.510 -7.787 8.320 1.00 0.00 C ATOM 369 CD PRO A 28 -2.481 -6.885 9.543 1.00 0.00 C ATOM 0 HA PRO A 28 -1.482 -4.888 7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.844 -7.142 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.157 -7.156 6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.495 -8.238 8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.796 -8.604 8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.428 -6.919 10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.704 -7.192 10.243 1.00 0.00 H new ATOM 377 N ILE A 29 -3.419 -3.600 6.598 1.00 0.00 N ATOM 378 CA ILE A 29 -4.560 -2.842 6.114 1.00 0.00 C ATOM 379 C ILE A 29 -4.918 -3.312 4.703 1.00 0.00 C ATOM 380 O ILE A 29 -4.039 -3.478 3.858 1.00 0.00 O ATOM 381 CB ILE A 29 -4.284 -1.340 6.210 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.167 -0.896 7.670 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.344 -0.538 5.451 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.758 -0.382 7.975 1.00 0.00 C ATOM 0 H ILE A 29 -2.523 -3.118 6.521 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.432 -3.024 6.742 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.325 -1.138 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.896 -0.112 7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.404 -1.732 8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.124 0.526 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.337 -0.828 4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.327 -0.740 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.701 -0.073 9.019 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.034 -1.176 7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.534 0.469 7.332 1.00 0.00 H new ATOM 396 N PHE A 30 -6.210 -3.514 4.491 1.00 0.00 N ATOM 397 CA PHE A 30 -6.695 -3.962 3.197 1.00 0.00 C ATOM 398 C PHE A 30 -7.167 -2.779 2.349 1.00 0.00 C ATOM 399 O PHE A 30 -8.244 -2.232 2.584 1.00 0.00 O ATOM 400 CB PHE A 30 -7.882 -4.890 3.461 1.00 0.00 C ATOM 401 CG PHE A 30 -7.486 -6.279 3.966 1.00 0.00 C ATOM 402 CD1 PHE A 30 -7.152 -6.458 5.272 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.468 -7.335 3.109 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.784 -7.747 5.741 1.00 0.00 C ATOM 405 CE2 PHE A 30 -7.100 -8.624 3.577 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.765 -8.803 4.884 1.00 0.00 C ATOM 0 H PHE A 30 -6.936 -3.376 5.194 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.896 -4.468 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.540 -4.422 4.194 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.456 -4.999 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.167 -5.620 5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.734 -7.193 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.519 -7.889 6.778 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.086 -9.462 2.896 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.484 -9.783 5.240 1.00 0.00 H new ATOM 416 N LEU A 31 -6.338 -2.419 1.379 1.00 0.00 N ATOM 417 CA LEU A 31 -6.657 -1.312 0.495 1.00 0.00 C ATOM 418 C LEU A 31 -8.041 -1.536 -0.118 1.00 0.00 C ATOM 419 O LEU A 31 -8.491 -2.674 -0.245 1.00 0.00 O ATOM 420 CB LEU A 31 -5.549 -1.118 -0.542 1.00 0.00 C ATOM 421 CG LEU A 31 -4.116 -1.156 -0.008 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.181 -0.321 -0.884 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.066 -0.723 1.459 1.00 0.00 C ATOM 0 H LEU A 31 -5.446 -2.875 1.187 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.704 -0.378 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.652 -1.891 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.706 -0.160 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.763 -2.186 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.169 -0.366 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.185 -0.716 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.521 0.714 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.036 -0.759 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.446 0.294 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.680 -1.396 2.058 1.00 0.00 H new ATOM 435 N PRO A 32 -8.695 -0.403 -0.492 1.00 0.00 N ATOM 436 CA PRO A 32 -10.018 -0.465 -1.088 1.00 0.00 C ATOM 437 C PRO A 32 -9.943 -0.943 -2.540 1.00 0.00 C ATOM 438 O PRO A 32 -9.244 -0.346 -3.358 1.00 0.00 O ATOM 439 CB PRO A 32 -10.576 0.942 -0.954 1.00 0.00 C ATOM 440 CG PRO A 32 -9.378 1.845 -0.711 1.00 0.00 C ATOM 441 CD PRO A 32 -8.193 0.961 -0.357 1.00 0.00 C ATOM 0 HA PRO A 32 -10.669 -1.186 -0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.111 1.237 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.285 1.004 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.160 2.438 -1.599 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.586 2.546 0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.351 1.141 -1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.843 1.156 0.657 1.00 0.00 H new ATOM 449 N SER A 33 -10.673 -2.014 -2.816 1.00 0.00 N ATOM 450 CA SER A 33 -10.698 -2.578 -4.155 1.00 0.00 C ATOM 451 C SER A 33 -11.638 -1.765 -5.047 1.00 0.00 C ATOM 452 O SER A 33 -11.416 -1.658 -6.253 1.00 0.00 O ATOM 453 CB SER A 33 -11.130 -4.045 -4.126 1.00 0.00 C ATOM 454 OG SER A 33 -12.480 -4.196 -3.697 1.00 0.00 O ATOM 0 H SER A 33 -11.252 -2.506 -2.135 1.00 0.00 H new ATOM 0 HA SER A 33 -9.689 -2.533 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.015 -4.476 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.473 -4.603 -3.459 1.00 0.00 H new ATOM 0 HG SER A 33 -12.718 -5.147 -3.694 1.00 0.00 H new ATOM 460 N ASP A 34 -12.667 -1.213 -4.421 1.00 0.00 N ATOM 461 CA ASP A 34 -13.641 -0.414 -5.144 1.00 0.00 C ATOM 462 C ASP A 34 -12.909 0.555 -6.075 1.00 0.00 C ATOM 463 O ASP A 34 -13.455 0.972 -7.096 1.00 0.00 O ATOM 464 CB ASP A 34 -14.498 0.412 -4.183 1.00 0.00 C ATOM 465 CG ASP A 34 -15.226 1.597 -4.820 1.00 0.00 C ATOM 466 OD1 ASP A 34 -16.024 1.341 -5.747 1.00 0.00 O ATOM 467 OD2 ASP A 34 -14.969 2.732 -4.365 1.00 0.00 O ATOM 0 H ASP A 34 -12.847 -1.303 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.282 -1.092 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.237 -0.244 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.861 0.785 -3.381 1.00 0.00 H new ATOM 472 N GLY A 35 -11.685 0.885 -5.690 1.00 0.00 N ATOM 473 CA GLY A 35 -10.873 1.797 -6.478 1.00 0.00 C ATOM 474 C GLY A 35 -10.590 3.086 -5.704 1.00 0.00 C ATOM 475 O GLY A 35 -9.831 3.937 -6.166 1.00 0.00 O ATOM 0 H GLY A 35 -11.236 0.537 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.933 1.315 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.386 2.033 -7.410 1.00 0.00 H new ATOM 479 N GLN A 36 -11.215 3.190 -4.541 1.00 0.00 N ATOM 480 CA GLN A 36 -11.040 4.362 -3.699 1.00 0.00 C ATOM 481 C GLN A 36 -9.552 4.616 -3.447 1.00 0.00 C ATOM 482 O GLN A 36 -8.705 3.829 -3.866 1.00 0.00 O ATOM 483 CB GLN A 36 -11.801 4.208 -2.381 1.00 0.00 C ATOM 484 CG GLN A 36 -13.200 4.817 -2.482 1.00 0.00 C ATOM 485 CD GLN A 36 -13.984 4.608 -1.184 1.00 0.00 C ATOM 486 OE1 GLN A 36 -14.045 5.467 -0.320 1.00 0.00 O ATOM 487 NE2 GLN A 36 -14.579 3.422 -1.097 1.00 0.00 N ATOM 0 H GLN A 36 -11.844 2.482 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.453 5.226 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.878 3.152 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.246 4.693 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.122 5.883 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.739 4.363 -3.314 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.487 2.748 -1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.127 3.186 -0.270 1.00 0.00 H new ATOM 496 N ALA A 37 -9.281 5.718 -2.764 1.00 0.00 N ATOM 497 CA ALA A 37 -7.910 6.087 -2.452 1.00 0.00 C ATOM 498 C ALA A 37 -7.735 6.141 -0.933 1.00 0.00 C ATOM 499 O ALA A 37 -8.417 6.907 -0.253 1.00 0.00 O ATOM 500 CB ALA A 37 -7.573 7.418 -3.126 1.00 0.00 C ATOM 0 H ALA A 37 -9.987 6.368 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.214 5.342 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.545 7.694 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.685 7.318 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.249 8.192 -2.762 1.00 0.00 H new ATOM 506 N LEU A 38 -6.818 5.319 -0.445 1.00 0.00 N ATOM 507 CA LEU A 38 -6.545 5.264 0.981 1.00 0.00 C ATOM 508 C LEU A 38 -5.380 6.200 1.309 1.00 0.00 C ATOM 509 O LEU A 38 -4.221 5.859 1.079 1.00 0.00 O ATOM 510 CB LEU A 38 -6.317 3.819 1.428 1.00 0.00 C ATOM 511 CG LEU A 38 -6.574 3.526 2.908 1.00 0.00 C ATOM 512 CD1 LEU A 38 -7.915 4.107 3.357 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.473 2.026 3.195 1.00 0.00 C ATOM 0 H LEU A 38 -6.254 4.685 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.407 5.616 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.959 3.170 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.287 3.547 1.198 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.798 4.019 3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.073 3.885 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.911 5.187 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.719 3.664 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.660 1.845 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.213 1.491 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.475 1.673 2.937 1.00 0.00 H new ATOM 525 N VAL A 39 -5.728 7.362 1.842 1.00 0.00 N ATOM 526 CA VAL A 39 -4.726 8.350 2.204 1.00 0.00 C ATOM 527 C VAL A 39 -3.978 7.877 3.452 1.00 0.00 C ATOM 528 O VAL A 39 -4.596 7.553 4.465 1.00 0.00 O ATOM 529 CB VAL A 39 -5.382 9.720 2.384 1.00 0.00 C ATOM 530 CG1 VAL A 39 -4.686 10.521 3.486 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.397 10.498 1.066 1.00 0.00 C ATOM 0 H VAL A 39 -6.690 7.642 2.032 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.992 8.459 1.406 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.416 9.559 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.172 11.491 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.751 9.976 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.638 10.667 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.869 11.468 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.374 10.643 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.959 9.937 0.319 1.00 0.00 H new ATOM 541 N LEU A 40 -2.658 7.853 3.339 1.00 0.00 N ATOM 542 CA LEU A 40 -1.819 7.425 4.445 1.00 0.00 C ATOM 543 C LEU A 40 -1.103 8.641 5.037 1.00 0.00 C ATOM 544 O LEU A 40 -0.904 9.643 4.351 1.00 0.00 O ATOM 545 CB LEU A 40 -0.871 6.310 3.999 1.00 0.00 C ATOM 546 CG LEU A 40 -1.490 4.918 3.864 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.411 3.858 3.630 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.366 4.587 5.074 1.00 0.00 C ATOM 0 H LEU A 40 -2.149 8.123 2.498 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.428 6.995 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.440 6.589 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.049 6.253 4.712 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.138 4.916 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.878 2.878 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.133 4.089 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.282 3.852 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.794 3.592 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.760 4.613 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.169 5.320 5.153 1.00 0.00 H new ATOM 560 N GLY A 41 -0.736 8.513 6.303 1.00 0.00 N ATOM 561 CA GLY A 41 -0.046 9.589 6.994 1.00 0.00 C ATOM 562 C GLY A 41 -0.113 9.398 8.511 1.00 0.00 C ATOM 563 O GLY A 41 -0.239 8.274 8.994 1.00 0.00 O ATOM 0 H GLY A 41 -0.903 7.681 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.995 9.623 6.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.494 10.545 6.724 1.00 0.00 H new ATOM 567 N ARG A 42 -0.026 10.514 9.220 1.00 0.00 N ATOM 568 CA ARG A 42 -0.075 10.483 10.672 1.00 0.00 C ATOM 569 C ARG A 42 -1.436 9.972 11.147 1.00 0.00 C ATOM 570 O ARG A 42 -2.469 10.326 10.579 1.00 0.00 O ATOM 571 CB ARG A 42 0.174 11.873 11.261 1.00 0.00 C ATOM 572 CG ARG A 42 1.528 11.934 11.971 1.00 0.00 C ATOM 573 CD ARG A 42 1.575 13.098 12.963 1.00 0.00 C ATOM 574 NE ARG A 42 0.824 12.749 14.190 1.00 0.00 N ATOM 575 CZ ARG A 42 0.502 13.627 15.149 1.00 0.00 C ATOM 576 NH1 ARG A 42 0.863 14.912 15.030 1.00 0.00 N ATOM 577 NH2 ARG A 42 -0.181 13.221 16.228 1.00 0.00 N ATOM 0 H ARG A 42 0.078 11.445 8.816 1.00 0.00 H new ATOM 0 HA ARG A 42 0.710 9.809 11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.142 12.619 10.467 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.621 12.121 11.964 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.710 10.996 12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.324 12.047 11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.610 13.331 13.214 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.149 13.992 12.508 1.00 0.00 H new ATOM 0 HE ARG A 42 0.533 11.779 14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.383 15.222 14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.618 15.580 15.760 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.456 12.243 16.319 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.426 13.890 16.958 1.00 0.00 H new ATOM 591 N GLY A 43 -1.395 9.146 12.183 1.00 0.00 N ATOM 592 CA GLY A 43 -2.612 8.583 12.740 1.00 0.00 C ATOM 593 C GLY A 43 -2.435 7.095 13.051 1.00 0.00 C ATOM 594 O GLY A 43 -1.329 6.565 12.959 1.00 0.00 O ATOM 0 H GLY A 43 -0.537 8.854 12.651 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.882 9.119 13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.434 8.716 12.036 1.00 0.00 H new ATOM 598 N PRO A 44 -3.572 6.447 13.423 1.00 0.00 N ATOM 599 CA PRO A 44 -3.553 5.031 13.749 1.00 0.00 C ATOM 600 C PRO A 44 -3.439 4.179 12.484 1.00 0.00 C ATOM 601 O PRO A 44 -3.231 2.969 12.562 1.00 0.00 O ATOM 602 CB PRO A 44 -4.842 4.787 14.516 1.00 0.00 C ATOM 603 CG PRO A 44 -5.749 5.962 14.191 1.00 0.00 C ATOM 604 CD PRO A 44 -4.899 7.042 13.543 1.00 0.00 C ATOM 0 HA PRO A 44 -2.688 4.749 14.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.302 3.845 14.218 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.653 4.724 15.588 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.549 5.652 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.222 6.341 15.097 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.295 7.326 12.568 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.874 7.945 14.152 1.00 0.00 H new ATOM 612 N LEU A 45 -3.581 4.843 11.346 1.00 0.00 N ATOM 613 CA LEU A 45 -3.497 4.162 10.066 1.00 0.00 C ATOM 614 C LEU A 45 -2.197 3.358 10.005 1.00 0.00 C ATOM 615 O LEU A 45 -2.224 2.137 9.866 1.00 0.00 O ATOM 616 CB LEU A 45 -3.659 5.159 8.917 1.00 0.00 C ATOM 617 CG LEU A 45 -5.086 5.638 8.639 1.00 0.00 C ATOM 618 CD1 LEU A 45 -5.475 6.777 9.583 1.00 0.00 C ATOM 619 CD2 LEU A 45 -5.257 6.026 7.170 1.00 0.00 C ATOM 0 H LEU A 45 -3.754 5.846 11.284 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.316 3.451 9.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.039 6.030 9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.267 4.702 8.008 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.769 4.811 8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.493 7.099 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.418 6.430 10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.792 7.615 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.280 6.363 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.564 6.830 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.049 5.162 6.539 1.00 0.00 H new ATOM 631 N THR A 46 -1.089 4.077 10.111 1.00 0.00 N ATOM 632 CA THR A 46 0.219 3.447 10.070 1.00 0.00 C ATOM 633 C THR A 46 0.933 3.610 11.414 1.00 0.00 C ATOM 634 O THR A 46 2.107 3.266 11.543 1.00 0.00 O ATOM 635 CB THR A 46 0.995 4.044 8.894 1.00 0.00 C ATOM 636 OG1 THR A 46 1.113 5.426 9.221 1.00 0.00 O ATOM 637 CG2 THR A 46 0.186 4.036 7.595 1.00 0.00 C ATOM 0 H THR A 46 -1.071 5.090 10.225 1.00 0.00 H new ATOM 0 HA THR A 46 0.135 2.372 9.911 1.00 0.00 H new ATOM 0 HB THR A 46 1.920 3.486 8.749 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.605 5.889 8.511 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.782 4.470 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.078 3.010 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.723 4.622 7.729 1.00 0.00 H new ATOM 645 N GLN A 47 0.194 4.135 12.380 1.00 0.00 N ATOM 646 CA GLN A 47 0.741 4.348 13.709 1.00 0.00 C ATOM 647 C GLN A 47 1.850 5.400 13.664 1.00 0.00 C ATOM 648 O GLN A 47 2.683 5.469 14.567 1.00 0.00 O ATOM 649 CB GLN A 47 1.254 3.036 14.307 1.00 0.00 C ATOM 650 CG GLN A 47 0.097 2.079 14.603 1.00 0.00 C ATOM 651 CD GLN A 47 -0.038 1.830 16.106 1.00 0.00 C ATOM 652 OE1 GLN A 47 0.934 1.772 16.842 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.294 1.686 16.520 1.00 0.00 N ATOM 0 H GLN A 47 -0.779 4.419 12.269 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.056 4.716 14.354 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.952 2.565 13.615 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.805 3.241 15.225 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.832 2.496 14.215 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.262 1.133 14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.062 1.746 15.851 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.489 1.516 17.507 1.00 0.00 H new ATOM 662 N VAL A 48 1.825 6.195 12.604 1.00 0.00 N ATOM 663 CA VAL A 48 2.819 7.241 12.429 1.00 0.00 C ATOM 664 C VAL A 48 2.392 8.480 13.218 1.00 0.00 C ATOM 665 O VAL A 48 1.255 8.936 13.099 1.00 0.00 O ATOM 666 CB VAL A 48 3.026 7.523 10.940 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.700 8.880 10.727 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.828 6.402 10.276 1.00 0.00 C ATOM 0 H VAL A 48 1.132 6.136 11.858 1.00 0.00 H new ATOM 0 HA VAL A 48 3.784 6.921 12.822 1.00 0.00 H new ATOM 0 HB VAL A 48 2.045 7.559 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.835 9.055 9.660 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.074 9.667 11.148 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.671 8.885 11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.961 6.627 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.804 6.320 10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.292 5.459 10.382 1.00 0.00 H new ATOM 678 N THR A 49 3.326 8.991 14.007 1.00 0.00 N ATOM 679 CA THR A 49 3.061 10.169 14.816 1.00 0.00 C ATOM 680 C THR A 49 4.164 11.210 14.620 1.00 0.00 C ATOM 681 O THR A 49 4.446 11.999 15.521 1.00 0.00 O ATOM 682 CB THR A 49 2.901 9.719 16.269 1.00 0.00 C ATOM 683 OG1 THR A 49 4.095 8.989 16.540 1.00 0.00 O ATOM 684 CG2 THR A 49 1.786 8.686 16.443 1.00 0.00 C ATOM 0 H THR A 49 4.268 8.611 14.103 1.00 0.00 H new ATOM 0 HA THR A 49 2.137 10.659 14.509 1.00 0.00 H new ATOM 0 HB THR A 49 2.694 10.586 16.896 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.076 8.662 17.463 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.715 8.401 17.493 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.838 9.116 16.119 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.009 7.805 15.842 1.00 0.00 H new ATOM 692 N ASP A 50 4.760 11.179 13.437 1.00 0.00 N ATOM 693 CA ASP A 50 5.827 12.110 13.111 1.00 0.00 C ATOM 694 C ASP A 50 5.232 13.341 12.424 1.00 0.00 C ATOM 695 O ASP A 50 4.527 13.217 11.423 1.00 0.00 O ATOM 696 CB ASP A 50 6.838 11.476 12.153 1.00 0.00 C ATOM 697 CG ASP A 50 8.245 12.074 12.209 1.00 0.00 C ATOM 698 OD1 ASP A 50 8.337 13.278 12.533 1.00 0.00 O ATOM 699 OD2 ASP A 50 9.196 11.314 11.927 1.00 0.00 O ATOM 0 H ASP A 50 4.524 10.523 12.692 1.00 0.00 H new ATOM 0 HA ASP A 50 6.331 12.383 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.904 10.410 12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.460 11.570 11.135 1.00 0.00 H new ATOM 704 N ARG A 51 5.537 14.499 12.989 1.00 0.00 N ATOM 705 CA ARG A 51 5.041 15.752 12.444 1.00 0.00 C ATOM 706 C ARG A 51 5.404 15.866 10.962 1.00 0.00 C ATOM 707 O ARG A 51 4.686 16.500 10.191 1.00 0.00 O ATOM 708 CB ARG A 51 5.622 16.949 13.198 1.00 0.00 C ATOM 709 CG ARG A 51 5.131 16.977 14.646 1.00 0.00 C ATOM 710 CD ARG A 51 6.206 17.537 15.580 1.00 0.00 C ATOM 711 NE ARG A 51 5.601 18.494 16.532 1.00 0.00 N ATOM 712 CZ ARG A 51 5.023 19.648 16.172 1.00 0.00 C ATOM 713 NH1 ARG A 51 4.968 19.995 14.879 1.00 0.00 N ATOM 714 NH2 ARG A 51 4.500 20.455 17.105 1.00 0.00 N ATOM 0 H ARG A 51 6.122 14.597 13.819 1.00 0.00 H new ATOM 0 HA ARG A 51 3.957 15.757 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.711 16.900 13.181 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.336 17.873 12.696 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.230 17.586 14.716 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.860 15.969 14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.686 16.724 16.125 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.983 18.033 14.998 1.00 0.00 H new ATOM 0 HE ARG A 51 5.625 18.261 17.525 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.366 19.381 14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.528 20.873 14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.542 20.191 18.089 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.060 21.333 16.831 1.00 0.00 H new ATOM 728 N LYS A 52 6.517 15.241 10.608 1.00 0.00 N ATOM 729 CA LYS A 52 6.984 15.264 9.232 1.00 0.00 C ATOM 730 C LYS A 52 5.945 14.588 8.335 1.00 0.00 C ATOM 731 O LYS A 52 5.909 14.831 7.130 1.00 0.00 O ATOM 732 CB LYS A 52 8.380 14.648 9.130 1.00 0.00 C ATOM 733 CG LYS A 52 9.428 15.554 9.779 1.00 0.00 C ATOM 734 CD LYS A 52 9.939 16.601 8.788 1.00 0.00 C ATOM 735 CE LYS A 52 10.497 17.823 9.520 1.00 0.00 C ATOM 736 NZ LYS A 52 10.673 18.954 8.581 1.00 0.00 N ATOM 0 H LYS A 52 7.110 14.715 11.250 1.00 0.00 H new ATOM 0 HA LYS A 52 7.088 16.291 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.387 13.672 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.634 14.485 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.996 16.051 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.262 14.951 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.715 16.164 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.128 16.907 8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.821 18.112 10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.453 17.573 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.052 19.775 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.336 18.680 7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.755 19.202 8.161 1.00 0.00 H new ATOM 750 N CYS A 53 5.127 13.752 8.957 1.00 0.00 N ATOM 751 CA CYS A 53 4.091 13.038 8.230 1.00 0.00 C ATOM 752 C CYS A 53 2.817 13.884 8.256 1.00 0.00 C ATOM 753 O CYS A 53 2.490 14.490 9.275 1.00 0.00 O ATOM 754 CB CYS A 53 3.860 11.638 8.802 1.00 0.00 C ATOM 755 SG CYS A 53 4.075 10.382 7.490 1.00 0.00 S ATOM 0 H CYS A 53 5.161 13.553 9.957 1.00 0.00 H new ATOM 0 HA CYS A 53 4.405 12.888 7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.560 11.449 9.616 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.857 11.569 9.222 1.00 0.00 H new ATOM 0 HG CYS A 53 3.744 10.893 6.341 1.00 0.00 H new ATOM 761 N SER A 54 2.130 13.898 7.123 1.00 0.00 N ATOM 762 CA SER A 54 0.898 14.659 7.003 1.00 0.00 C ATOM 763 C SER A 54 -0.290 13.709 6.835 1.00 0.00 C ATOM 764 O SER A 54 -0.203 12.725 6.103 1.00 0.00 O ATOM 765 CB SER A 54 0.967 15.637 5.829 1.00 0.00 C ATOM 766 OG SER A 54 0.413 16.907 6.159 1.00 0.00 O ATOM 0 H SER A 54 2.404 13.394 6.279 1.00 0.00 H new ATOM 0 HA SER A 54 0.764 15.239 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.005 15.763 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.432 15.218 4.977 1.00 0.00 H new ATOM 0 HG SER A 54 0.478 17.503 5.384 1.00 0.00 H new ATOM 772 N ARG A 55 -1.372 14.038 7.525 1.00 0.00 N ATOM 773 CA ARG A 55 -2.575 13.227 7.461 1.00 0.00 C ATOM 774 C ARG A 55 -2.794 12.713 6.036 1.00 0.00 C ATOM 775 O ARG A 55 -3.260 11.592 5.842 1.00 0.00 O ATOM 776 CB ARG A 55 -3.803 14.027 7.901 1.00 0.00 C ATOM 777 CG ARG A 55 -4.362 13.491 9.221 1.00 0.00 C ATOM 778 CD ARG A 55 -5.889 13.405 9.174 1.00 0.00 C ATOM 779 NE ARG A 55 -6.442 13.471 10.545 1.00 0.00 N ATOM 780 CZ ARG A 55 -7.748 13.395 10.833 1.00 0.00 C ATOM 781 NH1 ARG A 55 -8.644 13.249 9.848 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.159 13.464 12.107 1.00 0.00 N ATOM 0 H ARG A 55 -1.440 14.855 8.131 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.442 12.384 8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.535 15.077 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.571 13.976 7.129 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.945 12.505 9.423 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.056 14.141 10.041 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.289 14.221 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.195 12.475 8.694 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.787 13.581 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.332 13.196 8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.638 13.191 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.477 13.574 12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.154 13.406 12.326 1.00 0.00 H new ATOM 796 N ASN A 56 -2.447 13.558 5.077 1.00 0.00 N ATOM 797 CA ASN A 56 -2.599 13.204 3.676 1.00 0.00 C ATOM 798 C ASN A 56 -1.251 13.348 2.968 1.00 0.00 C ATOM 799 O ASN A 56 -1.124 14.116 2.016 1.00 0.00 O ATOM 800 CB ASN A 56 -3.600 14.128 2.980 1.00 0.00 C ATOM 801 CG ASN A 56 -3.493 15.556 3.518 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.423 16.050 3.833 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.659 16.190 3.605 1.00 0.00 N ATOM 0 H ASN A 56 -2.061 14.487 5.242 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.961 12.177 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.416 14.126 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.612 13.753 3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.694 17.148 3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.518 15.718 3.324 1.00 0.00 H new ATOM 810 N GLN A 57 -0.276 12.597 3.461 1.00 0.00 N ATOM 811 CA GLN A 57 1.058 12.632 2.887 1.00 0.00 C ATOM 812 C GLN A 57 1.029 12.128 1.443 1.00 0.00 C ATOM 813 O GLN A 57 1.602 12.752 0.552 1.00 0.00 O ATOM 814 CB GLN A 57 2.039 11.817 3.732 1.00 0.00 C ATOM 815 CG GLN A 57 3.358 11.602 2.987 1.00 0.00 C ATOM 816 CD GLN A 57 4.045 12.937 2.692 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.712 13.971 3.245 1.00 0.00 O ATOM 818 NE2 GLN A 57 5.021 12.855 1.792 1.00 0.00 N ATOM 0 H GLN A 57 -0.384 11.961 4.251 1.00 0.00 H new ATOM 0 HA GLN A 57 1.403 13.666 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.229 12.333 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.596 10.852 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.019 10.973 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.170 11.071 2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.249 11.956 1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.542 13.691 1.527 1.00 0.00 H new ATOM 827 N VAL A 58 0.354 11.002 1.256 1.00 0.00 N ATOM 828 CA VAL A 58 0.243 10.407 -0.064 1.00 0.00 C ATOM 829 C VAL A 58 -1.123 9.731 -0.200 1.00 0.00 C ATOM 830 O VAL A 58 -1.832 9.552 0.789 1.00 0.00 O ATOM 831 CB VAL A 58 1.411 9.450 -0.308 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.639 10.203 -0.822 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.744 8.658 0.958 1.00 0.00 C ATOM 0 H VAL A 58 -0.121 10.487 1.997 1.00 0.00 H new ATOM 0 HA VAL A 58 0.304 11.175 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 58 1.107 8.740 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.455 9.499 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.394 10.701 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.945 10.946 -0.086 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.578 7.985 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.018 9.347 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.874 8.077 1.263 1.00 0.00 H new ATOM 843 N GLU A 59 -1.450 9.373 -1.433 1.00 0.00 N ATOM 844 CA GLU A 59 -2.718 8.720 -1.711 1.00 0.00 C ATOM 845 C GLU A 59 -2.481 7.353 -2.357 1.00 0.00 C ATOM 846 O GLU A 59 -2.058 7.272 -3.509 1.00 0.00 O ATOM 847 CB GLU A 59 -3.605 9.598 -2.596 1.00 0.00 C ATOM 848 CG GLU A 59 -5.062 9.134 -2.544 1.00 0.00 C ATOM 849 CD GLU A 59 -6.019 10.310 -2.752 1.00 0.00 C ATOM 850 OE1 GLU A 59 -6.106 11.142 -1.824 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.642 10.350 -3.835 1.00 0.00 O ATOM 0 H GLU A 59 -0.859 9.523 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.241 8.568 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.538 10.635 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.245 9.565 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.235 8.380 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.263 8.662 -1.582 1.00 0.00 H new ATOM 858 N LEU A 60 -2.764 6.313 -1.586 1.00 0.00 N ATOM 859 CA LEU A 60 -2.586 4.954 -2.069 1.00 0.00 C ATOM 860 C LEU A 60 -3.905 4.451 -2.659 1.00 0.00 C ATOM 861 O LEU A 60 -4.977 4.735 -2.126 1.00 0.00 O ATOM 862 CB LEU A 60 -2.029 4.060 -0.960 1.00 0.00 C ATOM 863 CG LEU A 60 -0.510 4.086 -0.777 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.104 5.096 0.298 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.031 2.686 -0.481 1.00 0.00 C ATOM 0 H LEU A 60 -3.115 6.384 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.847 4.928 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.494 4.351 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.333 3.033 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.059 4.414 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.980 5.094 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.438 6.092 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.565 4.823 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.113 2.733 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.424 2.306 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.209 2.020 -1.310 1.00 0.00 H new ATOM 877 N ILE A 61 -3.784 3.712 -3.752 1.00 0.00 N ATOM 878 CA ILE A 61 -4.953 3.167 -4.421 1.00 0.00 C ATOM 879 C ILE A 61 -4.660 1.731 -4.861 1.00 0.00 C ATOM 880 O ILE A 61 -3.734 1.491 -5.634 1.00 0.00 O ATOM 881 CB ILE A 61 -5.391 4.083 -5.565 1.00 0.00 C ATOM 882 CG1 ILE A 61 -6.130 5.312 -5.031 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.225 3.315 -6.594 1.00 0.00 C ATOM 884 CD1 ILE A 61 -6.041 6.477 -6.019 1.00 0.00 C ATOM 0 H ILE A 61 -2.894 3.478 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.799 3.125 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.498 4.441 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.176 5.062 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.704 5.609 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.524 3.989 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.632 2.499 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.114 2.909 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.574 7.338 -5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.995 6.740 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.490 6.184 -6.968 1.00 0.00 H new ATOM 896 N ALA A 62 -5.467 0.813 -4.349 1.00 0.00 N ATOM 897 CA ALA A 62 -5.307 -0.593 -4.679 1.00 0.00 C ATOM 898 C ALA A 62 -5.821 -0.841 -6.099 1.00 0.00 C ATOM 899 O ALA A 62 -7.000 -0.631 -6.381 1.00 0.00 O ATOM 900 CB ALA A 62 -6.032 -1.448 -3.638 1.00 0.00 C ATOM 0 H ALA A 62 -6.234 1.016 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.254 -0.875 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.912 -2.503 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.609 -1.257 -2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.092 -1.195 -3.634 1.00 0.00 H new ATOM 906 N ASP A 63 -4.912 -1.285 -6.954 1.00 0.00 N ATOM 907 CA ASP A 63 -5.259 -1.564 -8.337 1.00 0.00 C ATOM 908 C ASP A 63 -5.079 -3.058 -8.612 1.00 0.00 C ATOM 909 O ASP A 63 -4.011 -3.489 -9.046 1.00 0.00 O ATOM 910 CB ASP A 63 -4.352 -0.793 -9.299 1.00 0.00 C ATOM 911 CG ASP A 63 -4.910 0.548 -9.780 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.997 0.920 -9.286 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.238 1.171 -10.630 1.00 0.00 O ATOM 0 H ASP A 63 -3.935 -1.459 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.293 -1.258 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.395 -0.616 -8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.154 -1.420 -10.168 1.00 0.00 H new ATOM 918 N PRO A 64 -6.167 -3.827 -8.342 1.00 0.00 N ATOM 919 CA PRO A 64 -6.139 -5.264 -8.556 1.00 0.00 C ATOM 920 C PRO A 64 -6.230 -5.599 -10.046 1.00 0.00 C ATOM 921 O PRO A 64 -6.225 -6.769 -10.425 1.00 0.00 O ATOM 922 CB PRO A 64 -7.312 -5.804 -7.754 1.00 0.00 C ATOM 923 CG PRO A 64 -8.226 -4.616 -7.500 1.00 0.00 C ATOM 924 CD PRO A 64 -7.448 -3.352 -7.828 1.00 0.00 C ATOM 0 HA PRO A 64 -5.205 -5.720 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.834 -6.587 -8.304 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.974 -6.244 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.122 -4.684 -8.118 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.555 -4.603 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.971 -2.746 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.313 -2.729 -6.944 1.00 0.00 H new ATOM 932 N GLU A 65 -6.309 -4.550 -10.852 1.00 0.00 N ATOM 933 CA GLU A 65 -6.401 -4.717 -12.292 1.00 0.00 C ATOM 934 C GLU A 65 -5.124 -5.365 -12.833 1.00 0.00 C ATOM 935 O GLU A 65 -5.181 -6.192 -13.742 1.00 0.00 O ATOM 936 CB GLU A 65 -6.672 -3.380 -12.984 1.00 0.00 C ATOM 937 CG GLU A 65 -7.891 -3.476 -13.904 1.00 0.00 C ATOM 938 CD GLU A 65 -8.171 -2.135 -14.585 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.723 -1.252 -13.893 1.00 0.00 O ATOM 940 OE2 GLU A 65 -7.827 -2.023 -15.781 1.00 0.00 O ATOM 0 H GLU A 65 -6.311 -3.581 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.241 -5.377 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.837 -2.606 -12.235 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.798 -3.082 -13.563 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.721 -4.243 -14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.763 -3.784 -13.327 1.00 0.00 H new ATOM 947 N SER A 66 -4.003 -4.964 -12.252 1.00 0.00 N ATOM 948 CA SER A 66 -2.715 -5.495 -12.664 1.00 0.00 C ATOM 949 C SER A 66 -1.795 -5.639 -11.450 1.00 0.00 C ATOM 950 O SER A 66 -0.576 -5.540 -11.575 1.00 0.00 O ATOM 951 CB SER A 66 -2.063 -4.601 -13.721 1.00 0.00 C ATOM 952 OG SER A 66 -2.575 -4.856 -15.026 1.00 0.00 O ATOM 0 H SER A 66 -3.960 -4.277 -11.499 1.00 0.00 H new ATOM 0 HA SER A 66 -2.877 -6.477 -13.108 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.230 -3.555 -13.464 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.985 -4.762 -13.717 1.00 0.00 H new ATOM 0 HG SER A 66 -3.445 -5.302 -14.955 1.00 0.00 H new ATOM 958 N ARG A 67 -2.416 -5.869 -10.302 1.00 0.00 N ATOM 959 CA ARG A 67 -1.668 -6.028 -9.066 1.00 0.00 C ATOM 960 C ARG A 67 -0.694 -4.862 -8.882 1.00 0.00 C ATOM 961 O ARG A 67 0.508 -5.073 -8.725 1.00 0.00 O ATOM 962 CB ARG A 67 -0.887 -7.343 -9.060 1.00 0.00 C ATOM 963 CG ARG A 67 -1.773 -8.505 -8.607 1.00 0.00 C ATOM 964 CD ARG A 67 -2.078 -9.448 -9.773 1.00 0.00 C ATOM 965 NE ARG A 67 -1.540 -10.797 -9.487 1.00 0.00 N ATOM 966 CZ ARG A 67 -0.254 -11.141 -9.641 1.00 0.00 C ATOM 967 NH1 ARG A 67 0.633 -10.238 -10.079 1.00 0.00 N ATOM 968 NH2 ARG A 67 0.144 -12.389 -9.356 1.00 0.00 N ATOM 0 H ARG A 67 -3.428 -5.949 -10.202 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.384 -6.041 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.499 -7.544 -10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.027 -7.256 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.276 -9.056 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.705 -8.118 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.155 -9.504 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.638 -9.059 -10.691 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.189 -11.509 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.330 -9.288 -10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.612 -10.500 -10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.532 -13.076 -9.022 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.123 -12.651 -9.473 1.00 0.00 H new ATOM 982 N THR A 68 -1.248 -3.659 -8.908 1.00 0.00 N ATOM 983 CA THR A 68 -0.443 -2.461 -8.747 1.00 0.00 C ATOM 984 C THR A 68 -1.117 -1.493 -7.773 1.00 0.00 C ATOM 985 O THR A 68 -2.233 -1.741 -7.317 1.00 0.00 O ATOM 986 CB THR A 68 -0.205 -1.860 -10.134 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.434 -2.076 -10.821 1.00 0.00 O ATOM 988 CG2 THR A 68 0.821 -2.652 -10.947 1.00 0.00 C ATOM 0 H THR A 68 -2.245 -3.488 -9.038 1.00 0.00 H new ATOM 0 HA THR A 68 0.527 -2.693 -8.307 1.00 0.00 H new ATOM 0 HB THR A 68 0.133 -0.829 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.369 -1.715 -11.730 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.953 -2.183 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.774 -2.663 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.468 -3.675 -11.081 1.00 0.00 H new ATOM 996 N VAL A 69 -0.412 -0.409 -7.482 1.00 0.00 N ATOM 997 CA VAL A 69 -0.929 0.597 -6.570 1.00 0.00 C ATOM 998 C VAL A 69 -0.405 1.973 -6.987 1.00 0.00 C ATOM 999 O VAL A 69 0.788 2.138 -7.236 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.569 0.232 -5.129 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -1.026 1.322 -4.157 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.157 -1.127 -4.745 1.00 0.00 C ATOM 0 H VAL A 69 0.513 -0.206 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.017 0.634 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 69 0.516 0.158 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.758 1.038 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.539 2.264 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.107 1.442 -4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.886 -1.363 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.243 -1.093 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.762 -1.895 -5.409 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.323 2.926 -7.050 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.969 4.283 -7.432 1.00 0.00 C ATOM 1014 C ALA A 70 -0.689 5.106 -6.173 1.00 0.00 C ATOM 1015 O ALA A 70 -1.383 4.964 -5.167 1.00 0.00 O ATOM 1016 CB ALA A 70 -2.090 4.883 -8.284 1.00 0.00 C ATOM 0 H ALA A 70 -2.312 2.786 -6.843 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.062 4.287 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.824 5.901 -8.570 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.229 4.278 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.016 4.898 -7.709 1.00 0.00 H new ATOM 1022 N VAL A 71 0.328 5.950 -6.270 1.00 0.00 N ATOM 1023 CA VAL A 71 0.708 6.796 -5.152 1.00 0.00 C ATOM 1024 C VAL A 71 0.790 8.249 -5.623 1.00 0.00 C ATOM 1025 O VAL A 71 1.417 8.541 -6.640 1.00 0.00 O ATOM 1026 CB VAL A 71 2.014 6.292 -4.535 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.490 7.227 -3.421 1.00 0.00 C ATOM 1028 CG2 VAL A 71 1.861 4.859 -4.020 1.00 0.00 C ATOM 0 H VAL A 71 0.901 6.066 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.045 6.752 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 71 2.774 6.287 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.420 6.846 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.658 8.224 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.731 7.278 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.804 4.526 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.081 4.827 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.589 4.202 -4.847 1.00 0.00 H new ATOM 1038 N LYS A 72 0.149 9.122 -4.860 1.00 0.00 N ATOM 1039 CA LYS A 72 0.142 10.538 -5.186 1.00 0.00 C ATOM 1040 C LYS A 72 0.445 11.349 -3.925 1.00 0.00 C ATOM 1041 O LYS A 72 -0.244 11.214 -2.915 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.174 10.925 -5.865 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.260 12.439 -6.072 1.00 0.00 C ATOM 1044 CD LYS A 72 -1.935 12.773 -7.403 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.301 13.424 -7.177 1.00 0.00 C ATOM 1046 NZ LYS A 72 -4.202 13.149 -8.319 1.00 0.00 N ATOM 0 H LYS A 72 -0.369 8.876 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 72 0.926 10.766 -5.908 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.254 10.418 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.014 10.589 -5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.820 12.890 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.259 12.870 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.299 13.445 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.054 11.864 -7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.744 13.043 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.181 14.500 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.125 13.598 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.785 13.534 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.330 12.122 -8.420 1.00 0.00 H new ATOM 1060 N GLN A 73 1.477 12.174 -4.024 1.00 0.00 N ATOM 1061 CA GLN A 73 1.880 13.007 -2.904 1.00 0.00 C ATOM 1062 C GLN A 73 0.966 14.230 -2.796 1.00 0.00 C ATOM 1063 O GLN A 73 0.880 15.029 -3.727 1.00 0.00 O ATOM 1064 CB GLN A 73 3.345 13.427 -3.032 1.00 0.00 C ATOM 1065 CG GLN A 73 3.672 14.575 -2.075 1.00 0.00 C ATOM 1066 CD GLN A 73 5.184 14.772 -1.951 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.963 13.833 -1.982 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.555 16.041 -1.810 1.00 0.00 N ATOM 0 H GLN A 73 2.046 12.283 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 73 1.783 12.423 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.991 12.576 -2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.551 13.734 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.210 15.495 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.247 14.367 -1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.851 16.779 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.543 16.276 -1.720 1.00 0.00 H new ATOM 1077 N LEU A 74 0.306 14.336 -1.652 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.598 15.448 -1.410 1.00 0.00 C ATOM 1079 C LEU A 74 -0.088 16.265 -0.221 1.00 0.00 C ATOM 1080 O LEU A 74 -0.723 17.235 0.188 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.032 14.944 -1.240 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.393 13.674 -2.013 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.202 12.712 -1.140 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.119 14.013 -3.316 1.00 0.00 C ATOM 0 H LEU A 74 0.379 13.670 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.619 16.117 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.209 14.763 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.714 15.738 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.468 13.164 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.446 11.818 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.615 12.433 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.123 13.199 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.364 13.093 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.036 14.557 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.475 14.631 -3.941 1.00 0.00 H new ATOM 1096 N GLY A 75 1.054 15.842 0.300 1.00 0.00 N ATOM 1097 CA GLY A 75 1.657 16.522 1.434 1.00 0.00 C ATOM 1098 C GLY A 75 2.739 17.501 0.974 1.00 0.00 C ATOM 1099 O GLY A 75 2.643 18.075 -0.109 1.00 0.00 O ATOM 0 H GLY A 75 1.578 15.037 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.889 17.059 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.090 15.789 2.114 1.00 0.00 H new ATOM 1103 N VAL A 76 3.746 17.661 1.821 1.00 0.00 N ATOM 1104 CA VAL A 76 4.845 18.560 1.515 1.00 0.00 C ATOM 1105 C VAL A 76 6.149 17.762 1.454 1.00 0.00 C ATOM 1106 O VAL A 76 6.946 17.938 0.534 1.00 0.00 O ATOM 1107 CB VAL A 76 4.889 19.700 2.536 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.479 19.207 3.925 1.00 0.00 C ATOM 1109 CG2 VAL A 76 6.273 20.351 2.571 1.00 0.00 C ATOM 0 H VAL A 76 3.823 17.183 2.719 1.00 0.00 H new ATOM 0 HA VAL A 76 4.700 19.022 0.538 1.00 0.00 H new ATOM 0 HB VAL A 76 4.170 20.458 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.519 20.036 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.464 18.812 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.162 18.421 4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.277 21.158 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.019 19.606 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.510 20.754 1.587 1.00 0.00 H new ATOM 1119 N ASN A 77 6.326 16.902 2.446 1.00 0.00 N ATOM 1120 CA ASN A 77 7.520 16.076 2.517 1.00 0.00 C ATOM 1121 C ASN A 77 7.575 15.162 1.291 1.00 0.00 C ATOM 1122 O ASN A 77 6.558 14.607 0.880 1.00 0.00 O ATOM 1123 CB ASN A 77 7.505 15.192 3.766 1.00 0.00 C ATOM 1124 CG ASN A 77 6.952 15.956 4.971 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.756 16.137 5.128 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.887 16.391 5.811 1.00 0.00 N ATOM 0 H ASN A 77 5.663 16.759 3.208 1.00 0.00 H new ATOM 0 HA ASN A 77 8.386 16.737 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.897 14.306 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.515 14.845 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.620 16.911 6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.871 16.205 5.619 1.00 0.00 H new ATOM 1133 N PRO A 78 8.806 15.031 0.728 1.00 0.00 N ATOM 1134 CA PRO A 78 9.008 14.193 -0.442 1.00 0.00 C ATOM 1135 C PRO A 78 8.983 12.710 -0.066 1.00 0.00 C ATOM 1136 O PRO A 78 9.766 12.266 0.772 1.00 0.00 O ATOM 1137 CB PRO A 78 10.342 14.638 -1.019 1.00 0.00 C ATOM 1138 CG PRO A 78 11.055 15.377 0.102 1.00 0.00 C ATOM 1139 CD PRO A 78 10.034 15.673 1.188 1.00 0.00 C ATOM 0 HA PRO A 78 8.214 14.303 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.927 13.782 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.197 15.286 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.871 14.773 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.496 16.302 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.353 15.273 2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.895 16.746 1.319 1.00 0.00 H new ATOM 1147 N SER A 79 8.076 11.986 -0.704 1.00 0.00 N ATOM 1148 CA SER A 79 7.939 10.562 -0.447 1.00 0.00 C ATOM 1149 C SER A 79 8.780 9.767 -1.448 1.00 0.00 C ATOM 1150 O SER A 79 9.128 10.274 -2.513 1.00 0.00 O ATOM 1151 CB SER A 79 6.474 10.128 -0.521 1.00 0.00 C ATOM 1152 OG SER A 79 5.775 10.399 0.691 1.00 0.00 O ATOM 0 H SER A 79 7.428 12.358 -1.399 1.00 0.00 H new ATOM 0 HA SER A 79 8.299 10.360 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.984 10.645 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.422 9.061 -0.738 1.00 0.00 H new ATOM 0 HG SER A 79 6.322 10.117 1.454 1.00 0.00 H new ATOM 1158 N THR A 80 9.081 8.533 -1.070 1.00 0.00 N ATOM 1159 CA THR A 80 9.874 7.663 -1.921 1.00 0.00 C ATOM 1160 C THR A 80 9.089 6.397 -2.269 1.00 0.00 C ATOM 1161 O THR A 80 8.650 5.670 -1.379 1.00 0.00 O ATOM 1162 CB THR A 80 11.197 7.380 -1.206 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.780 8.668 -1.032 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.196 6.636 -2.096 1.00 0.00 C ATOM 0 H THR A 80 8.790 8.116 -0.186 1.00 0.00 H new ATOM 0 HA THR A 80 10.099 8.141 -2.875 1.00 0.00 H new ATOM 0 HB THR A 80 11.006 6.795 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.642 8.578 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.117 6.460 -1.541 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.769 5.681 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.414 7.236 -2.979 1.00 0.00 H new ATOM 1172 N VAL A 81 8.935 6.171 -3.565 1.00 0.00 N ATOM 1173 CA VAL A 81 8.210 5.006 -4.042 1.00 0.00 C ATOM 1174 C VAL A 81 9.208 3.956 -4.534 1.00 0.00 C ATOM 1175 O VAL A 81 9.413 3.805 -5.738 1.00 0.00 O ATOM 1176 CB VAL A 81 7.200 5.420 -5.114 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.837 4.235 -6.011 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.949 6.032 -4.481 1.00 0.00 C ATOM 0 H VAL A 81 9.300 6.776 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 81 7.637 4.555 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 81 7.667 6.182 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.118 4.556 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.736 3.862 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.399 3.441 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.247 6.318 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.480 5.301 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.227 6.914 -3.904 1.00 0.00 H new ATOM 1188 N GLY A 82 9.803 3.257 -3.579 1.00 0.00 N ATOM 1189 CA GLY A 82 10.774 2.226 -3.900 1.00 0.00 C ATOM 1190 C GLY A 82 12.203 2.740 -3.711 1.00 0.00 C ATOM 1191 O GLY A 82 12.747 2.681 -2.610 1.00 0.00 O ATOM 0 H GLY A 82 9.631 3.385 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.610 1.356 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.635 1.899 -4.930 1.00 0.00 H new ATOM 1195 N VAL A 83 12.770 3.232 -4.803 1.00 0.00 N ATOM 1196 CA VAL A 83 14.124 3.757 -4.772 1.00 0.00 C ATOM 1197 C VAL A 83 14.166 5.096 -5.510 1.00 0.00 C ATOM 1198 O VAL A 83 15.238 5.572 -5.881 1.00 0.00 O ATOM 1199 CB VAL A 83 15.098 2.726 -5.348 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.869 2.535 -6.848 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.548 3.121 -5.061 1.00 0.00 C ATOM 0 H VAL A 83 12.316 3.278 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 83 14.437 3.943 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 83 14.907 1.773 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.574 1.798 -7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.850 2.187 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.020 3.484 -7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.219 2.372 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.757 4.090 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.702 3.183 -3.984 1.00 0.00 H new ATOM 1211 N GLN A 84 12.985 5.667 -5.701 1.00 0.00 N ATOM 1212 CA GLN A 84 12.873 6.942 -6.388 1.00 0.00 C ATOM 1213 C GLN A 84 12.112 7.947 -5.521 1.00 0.00 C ATOM 1214 O GLN A 84 11.098 7.606 -4.914 1.00 0.00 O ATOM 1215 CB GLN A 84 12.198 6.773 -7.751 1.00 0.00 C ATOM 1216 CG GLN A 84 11.795 8.128 -8.335 1.00 0.00 C ATOM 1217 CD GLN A 84 12.267 8.263 -9.784 1.00 0.00 C ATOM 1218 OE1 GLN A 84 13.369 7.881 -10.144 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.375 8.826 -10.594 1.00 0.00 N ATOM 0 H GLN A 84 12.098 5.270 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 84 13.877 7.328 -6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.877 6.265 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.316 6.141 -7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.712 8.240 -8.290 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.223 8.929 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.470 9.123 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.595 8.960 -11.581 1.00 0.00 H new ATOM 1228 N GLU A 85 12.632 9.166 -5.489 1.00 0.00 N ATOM 1229 CA GLU A 85 12.014 10.223 -4.707 1.00 0.00 C ATOM 1230 C GLU A 85 10.857 10.853 -5.485 1.00 0.00 C ATOM 1231 O GLU A 85 10.936 11.009 -6.702 1.00 0.00 O ATOM 1232 CB GLU A 85 13.044 11.280 -4.303 1.00 0.00 C ATOM 1233 CG GLU A 85 12.793 11.774 -2.878 1.00 0.00 C ATOM 1234 CD GLU A 85 14.108 11.923 -2.109 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.662 10.872 -1.722 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.530 13.086 -1.927 1.00 0.00 O ATOM 0 H GLU A 85 13.474 9.445 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 85 11.614 9.785 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.048 10.861 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.999 12.120 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.274 12.732 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.140 11.074 -2.357 1.00 0.00 H new ATOM 1243 N LEU A 86 9.810 11.198 -4.750 1.00 0.00 N ATOM 1244 CA LEU A 86 8.639 11.808 -5.356 1.00 0.00 C ATOM 1245 C LEU A 86 8.671 13.318 -5.111 1.00 0.00 C ATOM 1246 O LEU A 86 9.650 13.844 -4.584 1.00 0.00 O ATOM 1247 CB LEU A 86 7.362 11.131 -4.854 1.00 0.00 C ATOM 1248 CG LEU A 86 6.976 9.825 -5.552 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.544 9.418 -5.201 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.189 9.928 -7.064 1.00 0.00 C ATOM 0 H LEU A 86 9.748 11.067 -3.740 1.00 0.00 H new ATOM 0 HA LEU A 86 8.648 11.659 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.475 10.931 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.536 11.834 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 86 7.633 9.035 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.295 8.487 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.460 9.276 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.855 10.201 -5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.907 8.987 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.573 10.733 -7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.239 10.137 -7.270 1.00 0.00 H new ATOM 1262 N LYS A 87 7.589 13.972 -5.506 1.00 0.00 N ATOM 1263 CA LYS A 87 7.481 15.411 -5.336 1.00 0.00 C ATOM 1264 C LYS A 87 6.050 15.766 -4.928 1.00 0.00 C ATOM 1265 O LYS A 87 5.166 14.911 -4.944 1.00 0.00 O ATOM 1266 CB LYS A 87 7.960 16.137 -6.595 1.00 0.00 C ATOM 1267 CG LYS A 87 9.345 16.751 -6.381 1.00 0.00 C ATOM 1268 CD LYS A 87 10.100 16.877 -7.705 1.00 0.00 C ATOM 1269 CE LYS A 87 9.701 18.156 -8.444 1.00 0.00 C ATOM 1270 NZ LYS A 87 9.370 17.858 -9.855 1.00 0.00 N ATOM 0 H LYS A 87 6.779 13.532 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 87 8.135 15.750 -4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.993 15.439 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.249 16.919 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.244 17.734 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.918 16.133 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.174 16.881 -7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.890 16.010 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.843 18.614 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.517 18.878 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.101 18.737 -10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.199 17.441 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.577 17.186 -9.891 1.00 0.00 H new ATOM 1284 N PRO A 88 5.861 17.063 -4.563 1.00 0.00 N ATOM 1285 CA PRO A 88 4.552 17.541 -4.152 1.00 0.00 C ATOM 1286 C PRO A 88 3.627 17.711 -5.358 1.00 0.00 C ATOM 1287 O PRO A 88 3.866 18.560 -6.215 1.00 0.00 O ATOM 1288 CB PRO A 88 4.822 18.847 -3.422 1.00 0.00 C ATOM 1289 CG PRO A 88 6.213 19.286 -3.853 1.00 0.00 C ATOM 1290 CD PRO A 88 6.885 18.103 -4.531 1.00 0.00 C ATOM 0 HA PRO A 88 4.032 16.837 -3.503 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.077 19.600 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.773 18.708 -2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.152 20.133 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.794 19.613 -2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.220 18.360 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.764 17.776 -3.976 1.00 0.00 H new ATOM 1298 N GLY A 89 2.588 16.888 -5.387 1.00 0.00 N ATOM 1299 CA GLY A 89 1.625 16.936 -6.474 1.00 0.00 C ATOM 1300 C GLY A 89 1.962 15.902 -7.550 1.00 0.00 C ATOM 1301 O GLY A 89 1.279 15.818 -8.570 1.00 0.00 O ATOM 0 H GLY A 89 2.393 16.184 -4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.624 16.749 -6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.616 17.934 -6.913 1.00 0.00 H new ATOM 1305 N LEU A 90 3.013 15.140 -7.286 1.00 0.00 N ATOM 1306 CA LEU A 90 3.448 14.115 -8.219 1.00 0.00 C ATOM 1307 C LEU A 90 2.638 12.839 -7.982 1.00 0.00 C ATOM 1308 O LEU A 90 1.760 12.808 -7.121 1.00 0.00 O ATOM 1309 CB LEU A 90 4.961 13.910 -8.122 1.00 0.00 C ATOM 1310 CG LEU A 90 5.678 13.575 -9.432 1.00 0.00 C ATOM 1311 CD1 LEU A 90 5.129 14.414 -10.587 1.00 0.00 C ATOM 1312 CD2 LEU A 90 7.193 13.727 -9.282 1.00 0.00 C ATOM 0 H LEU A 90 3.576 15.212 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 90 3.257 14.428 -9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.405 14.816 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.154 13.108 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 90 5.482 12.530 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.655 14.157 -11.506 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.065 14.212 -10.710 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.275 15.472 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.678 13.483 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.430 14.755 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.551 13.052 -8.505 1.00 0.00 H new ATOM 1324 N SER A 91 2.961 11.818 -8.761 1.00 0.00 N ATOM 1325 CA SER A 91 2.275 10.542 -8.647 1.00 0.00 C ATOM 1326 C SER A 91 3.125 9.432 -9.268 1.00 0.00 C ATOM 1327 O SER A 91 3.770 9.640 -10.294 1.00 0.00 O ATOM 1328 CB SER A 91 0.900 10.595 -9.317 1.00 0.00 C ATOM 1329 OG SER A 91 0.537 11.922 -9.688 1.00 0.00 O ATOM 0 H SER A 91 3.689 11.848 -9.474 1.00 0.00 H new ATOM 0 HA SER A 91 2.127 10.327 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.904 9.959 -10.202 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.150 10.191 -8.637 1.00 0.00 H new ATOM 0 HG SER A 91 -0.346 11.913 -10.114 1.00 0.00 H new ATOM 1335 N GLY A 92 3.100 8.278 -8.618 1.00 0.00 N ATOM 1336 CA GLY A 92 3.861 7.135 -9.093 1.00 0.00 C ATOM 1337 C GLY A 92 3.067 5.838 -8.921 1.00 0.00 C ATOM 1338 O GLY A 92 1.869 5.871 -8.645 1.00 0.00 O ATOM 0 H GLY A 92 2.565 8.110 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.115 7.274 -10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.801 7.066 -8.545 1.00 0.00 H new ATOM 1342 N SER A 93 3.767 4.726 -9.093 1.00 0.00 N ATOM 1343 CA SER A 93 3.143 3.421 -8.961 1.00 0.00 C ATOM 1344 C SER A 93 3.997 2.521 -8.066 1.00 0.00 C ATOM 1345 O SER A 93 5.214 2.686 -7.995 1.00 0.00 O ATOM 1346 CB SER A 93 2.936 2.768 -10.329 1.00 0.00 C ATOM 1347 OG SER A 93 4.164 2.321 -10.898 1.00 0.00 O ATOM 0 H SER A 93 4.761 4.702 -9.323 1.00 0.00 H new ATOM 0 HA SER A 93 2.164 3.555 -8.502 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.254 1.923 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.462 3.481 -11.003 1.00 0.00 H new ATOM 0 HG SER A 93 3.990 1.909 -11.770 1.00 0.00 H new ATOM 1353 N LEU A 94 3.327 1.588 -7.407 1.00 0.00 N ATOM 1354 CA LEU A 94 4.009 0.661 -6.520 1.00 0.00 C ATOM 1355 C LEU A 94 3.656 -0.773 -6.918 1.00 0.00 C ATOM 1356 O LEU A 94 2.483 -1.105 -7.081 1.00 0.00 O ATOM 1357 CB LEU A 94 3.696 0.988 -5.059 1.00 0.00 C ATOM 1358 CG LEU A 94 4.879 1.450 -4.206 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.750 2.932 -3.846 1.00 0.00 C ATOM 1360 CD2 LEU A 94 5.037 0.570 -2.964 1.00 0.00 C ATOM 0 H LEU A 94 2.318 1.454 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 94 5.089 0.763 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.932 1.766 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.263 0.102 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 94 5.789 1.340 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.604 3.235 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.724 3.527 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.830 3.091 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.885 0.920 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.130 0.624 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.209 -0.462 -3.269 1.00 0.00 H new ATOM 1372 N SER A 95 4.692 -1.586 -7.063 1.00 0.00 N ATOM 1373 CA SER A 95 4.506 -2.977 -7.439 1.00 0.00 C ATOM 1374 C SER A 95 4.462 -3.856 -6.188 1.00 0.00 C ATOM 1375 O SER A 95 4.837 -3.416 -5.102 1.00 0.00 O ATOM 1376 CB SER A 95 5.618 -3.447 -8.379 1.00 0.00 C ATOM 1377 OG SER A 95 6.012 -2.427 -9.293 1.00 0.00 O ATOM 0 H SER A 95 5.664 -1.308 -6.927 1.00 0.00 H new ATOM 0 HA SER A 95 3.558 -3.064 -7.970 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.481 -3.760 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.277 -4.320 -8.935 1.00 0.00 H new ATOM 0 HG SER A 95 6.725 -2.766 -9.874 1.00 0.00 H new ATOM 1383 N LEU A 96 4.000 -5.082 -6.381 1.00 0.00 N ATOM 1384 CA LEU A 96 3.901 -6.027 -5.282 1.00 0.00 C ATOM 1385 C LEU A 96 5.295 -6.275 -4.702 1.00 0.00 C ATOM 1386 O LEU A 96 6.125 -6.931 -5.331 1.00 0.00 O ATOM 1387 CB LEU A 96 3.187 -7.303 -5.733 1.00 0.00 C ATOM 1388 CG LEU A 96 1.728 -7.444 -5.296 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.057 -8.625 -6.001 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.619 -7.548 -3.774 1.00 0.00 C ATOM 0 H LEU A 96 3.690 -5.443 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 96 3.289 -5.615 -4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.226 -7.353 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.744 -8.160 -5.355 1.00 0.00 H new ATOM 0 HG LEU A 96 1.193 -6.543 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.021 -8.703 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.085 -8.469 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.587 -9.545 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.571 -7.647 -3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.173 -8.421 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.035 -6.650 -3.317 1.00 0.00 H new ATOM 1402 N GLY A 97 5.510 -5.739 -3.510 1.00 0.00 N ATOM 1403 CA GLY A 97 6.789 -5.894 -2.839 1.00 0.00 C ATOM 1404 C GLY A 97 7.489 -4.543 -2.673 1.00 0.00 C ATOM 1405 O GLY A 97 8.268 -4.354 -1.740 1.00 0.00 O ATOM 0 H GLY A 97 4.819 -5.196 -2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.638 -6.352 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.425 -6.569 -3.412 1.00 0.00 H new ATOM 1409 N ASP A 98 7.185 -3.638 -3.592 1.00 0.00 N ATOM 1410 CA ASP A 98 7.775 -2.311 -3.559 1.00 0.00 C ATOM 1411 C ASP A 98 7.467 -1.654 -2.211 1.00 0.00 C ATOM 1412 O ASP A 98 6.479 -1.993 -1.563 1.00 0.00 O ATOM 1413 CB ASP A 98 7.194 -1.423 -4.661 1.00 0.00 C ATOM 1414 CG ASP A 98 7.890 -1.538 -6.018 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.753 -2.434 -6.139 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.543 -0.727 -6.904 1.00 0.00 O ATOM 0 H ASP A 98 6.538 -3.798 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 98 8.850 -2.416 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.140 -1.670 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.241 -0.385 -4.332 1.00 0.00 H new ATOM 1421 N VAL A 99 8.333 -0.726 -1.830 1.00 0.00 N ATOM 1422 CA VAL A 99 8.167 -0.019 -0.572 1.00 0.00 C ATOM 1423 C VAL A 99 7.669 1.400 -0.851 1.00 0.00 C ATOM 1424 O VAL A 99 7.812 1.904 -1.964 1.00 0.00 O ATOM 1425 CB VAL A 99 9.474 -0.049 0.222 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.410 0.900 1.420 1.00 0.00 C ATOM 1427 CG2 VAL A 99 9.813 -1.473 0.667 1.00 0.00 C ATOM 0 H VAL A 99 9.152 -0.448 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 99 7.416 -0.511 0.046 1.00 0.00 H new ATOM 0 HB VAL A 99 10.273 0.295 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.352 0.859 1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.238 1.918 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.595 0.600 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.747 -1.466 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.012 -1.857 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.922 -2.112 -0.209 1.00 0.00 H new ATOM 1437 N LEU A 100 7.094 2.005 0.178 1.00 0.00 N ATOM 1438 CA LEU A 100 6.574 3.356 0.057 1.00 0.00 C ATOM 1439 C LEU A 100 6.871 4.129 1.344 1.00 0.00 C ATOM 1440 O LEU A 100 6.025 4.211 2.232 1.00 0.00 O ATOM 1441 CB LEU A 100 5.091 3.328 -0.315 1.00 0.00 C ATOM 1442 CG LEU A 100 4.343 4.657 -0.189 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.882 5.686 -1.185 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.834 4.453 -0.337 1.00 0.00 C ATOM 0 H LEU A 100 6.977 1.584 1.100 1.00 0.00 H new ATOM 0 HA LEU A 100 7.072 3.885 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.001 2.979 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.592 2.592 0.316 1.00 0.00 H new ATOM 0 HG LEU A 100 4.518 5.054 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.333 6.621 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.940 5.861 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.757 5.310 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.326 5.413 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.619 4.023 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.480 3.778 0.442 1.00 0.00 H new ATOM 1456 N TYR A 101 8.077 4.676 1.403 1.00 0.00 N ATOM 1457 CA TYR A 101 8.496 5.440 2.566 1.00 0.00 C ATOM 1458 C TYR A 101 7.611 6.672 2.761 1.00 0.00 C ATOM 1459 O TYR A 101 7.798 7.688 2.092 1.00 0.00 O ATOM 1460 CB TYR A 101 9.928 5.895 2.278 1.00 0.00 C ATOM 1461 CG TYR A 101 10.930 4.747 2.139 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.417 4.117 3.266 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.346 4.343 0.887 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.361 3.037 3.135 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.290 3.262 0.756 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.750 2.663 1.887 1.00 0.00 C ATOM 1467 OH TYR A 101 13.641 1.642 1.763 1.00 0.00 O ATOM 0 H TYR A 101 8.777 4.605 0.664 1.00 0.00 H new ATOM 0 HA TYR A 101 8.424 4.834 3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.934 6.482 1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.257 6.555 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.091 4.434 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.964 4.837 0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 101 12.751 2.536 4.008 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.624 2.935 -0.218 1.00 0.00 H new ATOM 0 HH TYR A 101 13.827 1.483 0.814 1.00 0.00 H new ATOM 1477 N LEU A 102 6.666 6.543 3.680 1.00 0.00 N ATOM 1478 CA LEU A 102 5.751 7.634 3.972 1.00 0.00 C ATOM 1479 C LEU A 102 6.503 8.963 3.878 1.00 0.00 C ATOM 1480 O LEU A 102 6.145 9.828 3.080 1.00 0.00 O ATOM 1481 CB LEU A 102 5.062 7.410 5.320 1.00 0.00 C ATOM 1482 CG LEU A 102 3.577 7.048 5.262 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.318 5.692 5.921 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.718 8.156 5.875 1.00 0.00 C ATOM 0 H LEU A 102 6.514 5.699 4.233 1.00 0.00 H new ATOM 0 HA LEU A 102 4.950 7.668 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.589 6.615 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.172 8.316 5.917 1.00 0.00 H new ATOM 0 HG LEU A 102 3.288 6.958 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.255 5.458 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.886 4.921 5.402 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.628 5.730 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.667 7.873 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.002 8.302 6.917 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.873 9.084 5.324 1.00 0.00 H new ATOM 1496 N VAL A 103 7.531 9.084 4.705 1.00 0.00 N ATOM 1497 CA VAL A 103 8.337 10.293 4.726 1.00 0.00 C ATOM 1498 C VAL A 103 9.659 10.008 5.441 1.00 0.00 C ATOM 1499 O VAL A 103 9.810 8.969 6.083 1.00 0.00 O ATOM 1500 CB VAL A 103 7.547 11.437 5.364 1.00 0.00 C ATOM 1501 CG1 VAL A 103 6.978 11.020 6.722 1.00 0.00 C ATOM 1502 CG2 VAL A 103 8.410 12.694 5.493 1.00 0.00 C ATOM 0 H VAL A 103 7.824 8.364 5.366 1.00 0.00 H new ATOM 0 HA VAL A 103 8.578 10.608 3.711 1.00 0.00 H new ATOM 0 HB VAL A 103 6.709 11.672 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.421 11.851 7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.313 10.167 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.794 10.745 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.824 13.492 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.277 12.478 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.744 13.009 4.504 1.00 0.00 H new ATOM 1512 N ASN A 104 10.583 10.948 5.306 1.00 0.00 N ATOM 1513 CA ASN A 104 11.887 10.810 5.931 1.00 0.00 C ATOM 1514 C ASN A 104 12.476 9.443 5.577 1.00 0.00 C ATOM 1515 O ASN A 104 13.232 8.868 6.358 1.00 0.00 O ATOM 1516 CB ASN A 104 11.780 10.898 7.455 1.00 0.00 C ATOM 1517 CG ASN A 104 12.775 11.915 8.017 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.970 11.682 8.083 1.00 0.00 O ATOM 1519 ND2 ASN A 104 12.216 13.054 8.417 1.00 0.00 N ATOM 0 H ASN A 104 10.454 11.808 4.773 1.00 0.00 H new ATOM 0 HA ASN A 104 12.522 11.618 5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.766 11.183 7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.969 9.918 7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.796 13.797 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.208 13.184 8.334 1.00 0.00 H new ATOM 1526 N GLY A 105 12.108 8.963 4.398 1.00 0.00 N ATOM 1527 CA GLY A 105 12.591 7.675 3.931 1.00 0.00 C ATOM 1528 C GLY A 105 12.374 6.592 4.989 1.00 0.00 C ATOM 1529 O GLY A 105 13.029 5.551 4.960 1.00 0.00 O ATOM 0 H GLY A 105 11.481 9.443 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.073 7.400 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.652 7.746 3.690 1.00 0.00 H new ATOM 1533 N LEU A 106 11.453 6.873 5.899 1.00 0.00 N ATOM 1534 CA LEU A 106 11.142 5.936 6.964 1.00 0.00 C ATOM 1535 C LEU A 106 9.705 5.438 6.796 1.00 0.00 C ATOM 1536 O LEU A 106 9.060 5.720 5.788 1.00 0.00 O ATOM 1537 CB LEU A 106 11.418 6.567 8.330 1.00 0.00 C ATOM 1538 CG LEU A 106 12.892 6.735 8.706 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.037 7.449 10.051 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.618 5.388 8.690 1.00 0.00 C ATOM 0 H LEU A 106 10.912 7.737 5.920 1.00 0.00 H new ATOM 0 HA LEU A 106 11.792 5.063 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.942 7.547 8.358 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.936 5.957 9.094 1.00 0.00 H new ATOM 0 HG LEU A 106 13.367 7.366 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.094 7.555 10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.577 8.436 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.543 6.865 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.664 5.535 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.149 4.713 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.559 4.955 7.692 1.00 0.00 H new ATOM 1552 N TYR A 107 9.245 4.706 7.800 1.00 0.00 N ATOM 1553 CA TYR A 107 7.896 4.166 7.776 1.00 0.00 C ATOM 1554 C TYR A 107 7.565 3.577 6.403 1.00 0.00 C ATOM 1555 O TYR A 107 6.647 4.042 5.730 1.00 0.00 O ATOM 1556 CB TYR A 107 6.964 5.348 8.050 1.00 0.00 C ATOM 1557 CG TYR A 107 7.433 6.260 9.185 1.00 0.00 C ATOM 1558 CD1 TYR A 107 7.632 5.743 10.449 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.657 7.601 8.945 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.073 6.602 11.517 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.098 8.460 10.013 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.284 7.918 11.246 1.00 0.00 C ATOM 1563 OH TYR A 107 8.700 8.729 12.255 1.00 0.00 O ATOM 0 H TYR A 107 9.782 4.474 8.635 1.00 0.00 H new ATOM 0 HA TYR A 107 7.788 3.369 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.866 5.939 7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 107 5.972 4.967 8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.457 4.694 10.637 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.501 8.006 7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.233 6.210 12.511 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.277 9.511 9.839 1.00 0.00 H new ATOM 0 HH TYR A 107 9.038 9.569 11.881 1.00 0.00 H new ATOM 1573 N PRO A 108 8.352 2.537 6.019 1.00 0.00 N ATOM 1574 CA PRO A 108 8.152 1.880 4.738 1.00 0.00 C ATOM 1575 C PRO A 108 6.917 0.978 4.772 1.00 0.00 C ATOM 1576 O PRO A 108 6.672 0.292 5.763 1.00 0.00 O ATOM 1577 CB PRO A 108 9.440 1.114 4.484 1.00 0.00 C ATOM 1578 CG PRO A 108 10.127 0.992 5.834 1.00 0.00 C ATOM 1579 CD PRO A 108 9.450 1.960 6.791 1.00 0.00 C ATOM 0 HA PRO A 108 7.957 2.584 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.233 0.131 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.073 1.641 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.054 -0.029 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.188 1.223 5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.083 1.447 7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.142 2.730 7.131 1.00 0.00 H new ATOM 1587 N LEU A 109 6.171 1.009 3.677 1.00 0.00 N ATOM 1588 CA LEU A 109 4.967 0.203 3.569 1.00 0.00 C ATOM 1589 C LEU A 109 5.133 -0.804 2.429 1.00 0.00 C ATOM 1590 O LEU A 109 5.027 -0.443 1.258 1.00 0.00 O ATOM 1591 CB LEU A 109 3.734 1.098 3.424 1.00 0.00 C ATOM 1592 CG LEU A 109 3.222 1.747 4.711 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.039 0.704 5.816 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.136 2.893 5.150 1.00 0.00 C ATOM 0 H LEU A 109 6.377 1.580 2.857 1.00 0.00 H new ATOM 0 HA LEU A 109 4.810 -0.371 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.965 1.888 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.927 0.505 2.994 1.00 0.00 H new ATOM 0 HG LEU A 109 2.241 2.178 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.674 1.192 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.318 -0.046 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.995 0.223 6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.749 3.336 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.140 2.509 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.171 3.651 4.367 1.00 0.00 H new ATOM 1606 N THR A 110 5.392 -2.045 2.812 1.00 0.00 N ATOM 1607 CA THR A 110 5.574 -3.107 1.837 1.00 0.00 C ATOM 1608 C THR A 110 4.223 -3.554 1.277 1.00 0.00 C ATOM 1609 O THR A 110 3.321 -3.912 2.034 1.00 0.00 O ATOM 1610 CB THR A 110 6.358 -4.236 2.508 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.548 -3.604 2.972 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.857 -5.279 1.505 1.00 0.00 C ATOM 0 H THR A 110 5.480 -2.339 3.785 1.00 0.00 H new ATOM 0 HA THR A 110 6.148 -2.761 0.977 1.00 0.00 H new ATOM 0 HB THR A 110 5.729 -4.721 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.115 -4.264 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.407 -6.058 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.006 -5.723 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.514 -4.800 0.779 1.00 0.00 H new ATOM 1620 N LEU A 111 4.124 -3.520 -0.044 1.00 0.00 N ATOM 1621 CA LEU A 111 2.898 -3.918 -0.714 1.00 0.00 C ATOM 1622 C LEU A 111 2.860 -5.442 -0.837 1.00 0.00 C ATOM 1623 O LEU A 111 3.817 -6.054 -1.310 1.00 0.00 O ATOM 1624 CB LEU A 111 2.757 -3.189 -2.052 1.00 0.00 C ATOM 1625 CG LEU A 111 1.693 -3.737 -3.005 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.320 -3.773 -2.332 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.670 -2.945 -4.314 1.00 0.00 C ATOM 0 H LEU A 111 4.874 -3.223 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 111 2.030 -3.624 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.531 -2.142 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.721 -3.215 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 111 1.955 -4.765 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.418 -4.167 -3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.363 -4.414 -1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.035 -2.764 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.905 -3.355 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.445 -1.900 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.643 -3.016 -4.799 1.00 0.00 H new ATOM 1639 N ARG A 112 1.746 -6.012 -0.402 1.00 0.00 N ATOM 1640 CA ARG A 112 1.571 -7.453 -0.458 1.00 0.00 C ATOM 1641 C ARG A 112 0.194 -7.800 -1.027 1.00 0.00 C ATOM 1642 O ARG A 112 -0.734 -6.996 -0.949 1.00 0.00 O ATOM 1643 CB ARG A 112 1.713 -8.079 0.931 1.00 0.00 C ATOM 1644 CG ARG A 112 3.173 -8.070 1.390 1.00 0.00 C ATOM 1645 CD ARG A 112 3.992 -9.118 0.633 1.00 0.00 C ATOM 1646 NE ARG A 112 5.436 -8.821 0.761 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.409 -9.591 0.255 1.00 0.00 C ATOM 1648 NH1 ARG A 112 6.099 -10.709 -0.415 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.693 -9.243 0.420 1.00 0.00 N ATOM 0 H ARG A 112 0.955 -5.501 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 112 2.348 -7.856 -1.108 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.100 -7.530 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.340 -9.103 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.603 -7.081 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 112 3.223 -8.268 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.780 -10.112 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.706 -9.125 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 112 5.708 -7.977 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.122 -10.974 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.840 -11.295 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.929 -8.392 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.434 -9.829 0.035 1.00 0.00 H new ATOM 1663 N TRP A 113 0.105 -8.997 -1.587 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.143 -9.460 -2.170 1.00 0.00 C ATOM 1665 C TRP A 113 -1.445 -10.848 -1.601 1.00 0.00 C ATOM 1666 O TRP A 113 -0.565 -11.706 -1.551 1.00 0.00 O ATOM 1667 CB TRP A 113 -1.075 -9.442 -3.698 1.00 0.00 C ATOM 1668 CG TRP A 113 -1.913 -10.530 -4.371 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -1.750 -11.859 -4.302 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.060 -10.329 -5.224 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -2.703 -12.525 -5.045 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.525 -11.565 -5.624 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.683 -9.141 -5.645 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.633 -11.733 -6.463 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.789 -9.326 -6.483 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.270 -10.564 -6.894 1.00 0.00 C ATOM 0 H TRP A 113 0.877 -9.661 -1.650 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.962 -8.791 -1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.409 -8.468 -4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.036 -9.555 -4.007 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -0.970 -12.347 -3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -2.789 -13.536 -5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.336 -8.163 -5.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.978 -12.712 -6.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.305 -8.445 -6.835 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.131 -10.623 -7.543 1.00 0.00 H new ATOM 1687 N SER A 114 -2.691 -11.025 -1.187 1.00 0.00 N ATOM 1688 CA SER A 114 -3.119 -12.294 -0.624 1.00 0.00 C ATOM 1689 C SER A 114 -3.268 -13.336 -1.735 1.00 0.00 C ATOM 1690 O SER A 114 -3.746 -13.023 -2.824 1.00 0.00 O ATOM 1691 CB SER A 114 -4.435 -12.141 0.140 1.00 0.00 C ATOM 1692 OG SER A 114 -4.803 -13.341 0.815 1.00 0.00 O ATOM 0 H SER A 114 -3.418 -10.311 -1.230 1.00 0.00 H new ATOM 0 HA SER A 114 -2.358 -12.630 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.342 -11.332 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.226 -11.858 -0.554 1.00 0.00 H new ATOM 0 HG SER A 114 -5.648 -13.202 1.292 1.00 0.00 H new