USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 496 TYR OH : rot 130:sc= 0.293 USER MOD Set 1.2: A 505 TYR OH : rot 20:sc= 1.48 USER MOD Set 2.1: A 476 GLN :FLIP amide:sc= -3.6! C(o=-9.3!,f=-6.8!) USER MOD Set 2.2: A 497 SER OG : rot -170:sc= -3.2! USER MOD Set 3.1: A 427 THR OG1 : rot 180:sc= -4.12! USER MOD Set 3.2: A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 ASN : amide:sc= -2.09! C(o=-2.1!,f=-2!) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 430 TYR OH : rot 68:sc= -0.7! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ 163:sc= 1.09 (180deg=0.969) USER MOD Single : A 435 ASN : amide:sc= -4.04! C(o=-4!,f=-13!) USER MOD Single : A 436 SER OG : rot 60:sc= 0.819 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -12.6! C(o=-13!,f=-21!) USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -123:sc= -0.622 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -159:sc= -10.7! (180deg=-14!) USER MOD Single : A 457 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.1!) USER MOD Single : A 462 SER OG : rot 79:sc= 1.03 USER MOD Single : A 464 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 SER OG : rot 91:sc= 0.96 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -3.43! C(o=-3.4!,f=-6.1!) USER MOD Single : A 495 ASN : amide:sc= -7.57! C(o=-7.6!,f=-12!) USER MOD Single : A 499 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 503 SER OG : rot 177:sc= 0.0112 USER MOD Single : A 504 THR OG1 : rot 114:sc= -1.34 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 515 THR OG1 : rot 47:sc= 0.444 USER MOD Single : A 517 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 518 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ASN A 424 -11.055 -2.699 12.493 1.00 0.00 N ATOM 37 CA ASN A 424 -9.775 -2.015 12.429 1.00 0.00 C ATOM 38 C ASN A 424 -9.626 -1.348 11.060 1.00 0.00 C ATOM 39 O ASN A 424 -10.281 -1.745 10.097 1.00 0.00 O ATOM 40 CB ASN A 424 -8.616 -2.999 12.603 1.00 0.00 C ATOM 41 CG ASN A 424 -8.507 -3.466 14.056 1.00 0.00 C ATOM 42 OD1 ASN A 424 -8.688 -4.629 14.377 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.201 -2.497 14.913 1.00 0.00 N ATOM 0 HA ASN A 424 -9.746 -1.277 13.231 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -8.764 -3.860 11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.683 -2.525 12.299 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.104 -2.707 15.907 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -8.063 -1.544 14.577 1.00 0.00 H new ATOM 50 N LYS A 425 -8.762 -0.344 11.017 1.00 0.00 N ATOM 51 CA LYS A 425 -8.520 0.383 9.783 1.00 0.00 C ATOM 52 C LYS A 425 -7.015 0.428 9.509 1.00 0.00 C ATOM 53 O LYS A 425 -6.216 0.558 10.435 1.00 0.00 O ATOM 54 CB LYS A 425 -9.177 1.764 9.836 1.00 0.00 C ATOM 55 CG LYS A 425 -9.067 2.476 8.487 1.00 0.00 C ATOM 56 CD LYS A 425 -10.162 2.005 7.527 1.00 0.00 C ATOM 57 CE LYS A 425 -11.325 2.998 7.493 1.00 0.00 C ATOM 58 NZ LYS A 425 -12.084 2.863 6.230 1.00 0.00 N ATOM 0 H LYS A 425 -8.221 -0.017 11.818 1.00 0.00 H new ATOM 0 HA LYS A 425 -8.983 -0.132 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.226 1.661 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.702 2.367 10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -9.145 3.553 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.087 2.284 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -9.748 1.890 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -10.525 1.025 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -11.986 2.823 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -10.945 4.015 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -12.870 3.544 6.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -11.454 3.053 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -12.462 1.897 6.154 1.00 0.00 H new ATOM 71 N VAL A 426 -6.675 0.317 8.233 1.00 0.00 N ATOM 72 CA VAL A 426 -5.280 0.343 7.826 1.00 0.00 C ATOM 73 C VAL A 426 -5.100 1.366 6.703 1.00 0.00 C ATOM 74 O VAL A 426 -5.777 1.294 5.678 1.00 0.00 O ATOM 75 CB VAL A 426 -4.824 -1.063 7.433 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.304 -1.119 7.264 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.301 -2.100 8.452 1.00 0.00 C ATOM 0 H VAL A 426 -7.341 0.209 7.468 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.646 0.656 8.655 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.277 -1.305 6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -3.006 -2.130 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -2.999 -0.422 6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.823 -0.846 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.963 -3.091 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.890 -1.862 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.390 -2.087 8.501 1.00 0.00 H new ATOM 87 N THR A 427 -4.184 2.295 6.934 1.00 0.00 N ATOM 88 CA THR A 427 -3.907 3.332 5.954 1.00 0.00 C ATOM 89 C THR A 427 -2.492 3.172 5.394 1.00 0.00 C ATOM 90 O THR A 427 -1.548 2.928 6.143 1.00 0.00 O ATOM 91 CB THR A 427 -4.147 4.688 6.620 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.557 4.734 6.817 1.00 0.00 O ATOM 93 CG2 THR A 427 -3.864 5.861 5.679 1.00 0.00 C ATOM 0 H THR A 427 -3.624 2.351 7.785 1.00 0.00 H new ATOM 0 HA THR A 427 -4.574 3.253 5.095 1.00 0.00 H new ATOM 0 HB THR A 427 -3.518 4.773 7.506 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.800 5.581 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.050 6.799 6.201 1.00 0.00 H new ATOM 0 HG22 THR A 427 -2.824 5.825 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.517 5.795 4.808 1.00 0.00 H new ATOM 101 N ILE A 428 -2.391 3.315 4.080 1.00 0.00 N ATOM 102 CA ILE A 428 -1.107 3.188 3.411 1.00 0.00 C ATOM 103 C ILE A 428 -0.925 4.358 2.442 1.00 0.00 C ATOM 104 O ILE A 428 -1.749 4.567 1.553 1.00 0.00 O ATOM 105 CB ILE A 428 -0.982 1.815 2.748 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.641 0.738 3.779 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.029 1.851 1.600 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.362 -0.574 3.459 1.00 0.00 C ATOM 0 H ILE A 428 -3.177 3.517 3.462 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.293 3.242 4.134 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.949 1.554 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.436 0.571 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.924 1.080 4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.099 0.863 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.297 2.573 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 428 1.006 2.144 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.103 -1.323 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.439 -0.409 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.058 -0.925 2.473 1.00 0.00 H new ATOM 120 N TYR A 429 0.159 5.091 2.647 1.00 0.00 N ATOM 121 CA TYR A 429 0.460 6.235 1.803 1.00 0.00 C ATOM 122 C TYR A 429 1.746 6.006 1.007 1.00 0.00 C ATOM 123 O TYR A 429 2.836 5.978 1.576 1.00 0.00 O ATOM 124 CB TYR A 429 0.666 7.417 2.752 1.00 0.00 C ATOM 125 CG TYR A 429 -0.600 7.844 3.497 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.820 7.297 3.155 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.523 8.777 4.512 1.00 0.00 C ATOM 128 CE1 TYR A 429 -3.012 7.699 3.857 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.714 9.179 5.213 1.00 0.00 C ATOM 130 CZ TYR A 429 -2.900 8.620 4.852 1.00 0.00 C ATOM 131 OH TYR A 429 -4.025 8.999 5.514 1.00 0.00 O ATOM 0 H TYR A 429 0.840 4.915 3.386 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.346 6.407 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.433 7.155 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 429 1.044 8.266 2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.881 6.567 2.361 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.432 9.205 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -3.973 7.279 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.667 9.908 6.008 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.794 9.661 6.199 1.00 0.00 H new ATOM 141 N TYR A 430 1.577 5.848 -0.298 1.00 0.00 N ATOM 142 CA TYR A 430 2.711 5.622 -1.178 1.00 0.00 C ATOM 143 C TYR A 430 2.996 6.858 -2.034 1.00 0.00 C ATOM 144 O TYR A 430 2.071 7.515 -2.508 1.00 0.00 O ATOM 145 CB TYR A 430 2.309 4.464 -2.094 1.00 0.00 C ATOM 146 CG TYR A 430 3.088 4.413 -3.410 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.464 4.311 -3.394 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.414 4.468 -4.613 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.197 4.263 -4.633 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.146 4.420 -5.852 1.00 0.00 C ATOM 151 CZ TYR A 430 4.502 4.320 -5.801 1.00 0.00 C ATOM 152 OH TYR A 430 5.193 4.274 -6.971 1.00 0.00 O ATOM 0 H TYR A 430 0.672 5.872 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 430 3.609 5.406 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.455 3.525 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.245 4.542 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.991 4.267 -2.453 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.337 4.547 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.274 4.184 -4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 430 2.631 4.462 -6.800 1.00 0.00 H new ATOM 0 HH TYR A 430 5.599 3.388 -7.077 1.00 0.00 H new ATOM 162 N LYS A 431 4.280 7.136 -2.205 1.00 0.00 N ATOM 163 CA LYS A 431 4.698 8.282 -2.994 1.00 0.00 C ATOM 164 C LYS A 431 4.274 8.075 -4.450 1.00 0.00 C ATOM 165 O LYS A 431 4.358 6.965 -4.973 1.00 0.00 O ATOM 166 CB LYS A 431 6.198 8.533 -2.821 1.00 0.00 C ATOM 167 CG LYS A 431 6.618 9.834 -3.507 1.00 0.00 C ATOM 168 CD LYS A 431 7.398 9.549 -4.793 1.00 0.00 C ATOM 169 CE LYS A 431 7.628 10.833 -5.591 1.00 0.00 C ATOM 170 NZ LYS A 431 9.036 11.274 -5.470 1.00 0.00 N ATOM 0 H LYS A 431 5.044 6.588 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 431 4.203 9.187 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.442 8.582 -1.760 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.761 7.699 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 431 5.735 10.429 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 431 7.233 10.425 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 431 8.357 9.093 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 431 6.850 8.831 -5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.382 10.665 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 431 6.963 11.617 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.175 12.147 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.259 11.454 -4.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.665 10.532 -5.837 1.00 0.00 H new ATOM 183 N LYS A 432 3.827 9.161 -5.062 1.00 0.00 N ATOM 184 CA LYS A 432 3.388 9.113 -6.447 1.00 0.00 C ATOM 185 C LYS A 432 4.611 9.014 -7.361 1.00 0.00 C ATOM 186 O LYS A 432 5.455 9.909 -7.375 1.00 0.00 O ATOM 187 CB LYS A 432 2.479 10.302 -6.763 1.00 0.00 C ATOM 188 CG LYS A 432 1.509 9.965 -7.897 1.00 0.00 C ATOM 189 CD LYS A 432 0.260 10.845 -7.830 1.00 0.00 C ATOM 190 CE LYS A 432 -0.888 10.116 -7.129 1.00 0.00 C ATOM 191 NZ LYS A 432 -2.010 9.891 -8.067 1.00 0.00 N ATOM 0 H LYS A 432 3.759 10.080 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 432 2.783 8.224 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.918 10.583 -5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.085 11.164 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 432 2.005 10.104 -8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.222 8.915 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.489 11.768 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.045 11.127 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.536 9.161 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -1.231 10.702 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.644 9.163 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.538 10.778 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.637 9.574 -8.985 1.00 0.00 H new ATOM 204 N GLY A 433 4.668 7.917 -8.103 1.00 0.00 N ATOM 205 CA GLY A 433 5.774 7.689 -9.017 1.00 0.00 C ATOM 206 C GLY A 433 5.265 7.365 -10.423 1.00 0.00 C ATOM 207 O GLY A 433 6.056 7.118 -11.332 1.00 0.00 O ATOM 0 H GLY A 433 3.966 7.177 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.410 8.573 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.390 6.867 -8.651 1.00 0.00 H new ATOM 211 N PHE A 434 3.947 7.378 -10.558 1.00 0.00 N ATOM 212 CA PHE A 434 3.322 7.088 -11.838 1.00 0.00 C ATOM 213 C PHE A 434 2.218 8.099 -12.150 1.00 0.00 C ATOM 214 O PHE A 434 2.354 8.909 -13.066 1.00 0.00 O ATOM 215 CB PHE A 434 2.704 5.693 -11.728 1.00 0.00 C ATOM 216 CG PHE A 434 3.300 4.670 -12.698 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.567 4.213 -12.510 1.00 0.00 C ATOM 218 CD2 PHE A 434 2.562 4.219 -13.747 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.119 3.264 -13.410 1.00 0.00 C ATOM 220 CE2 PHE A 434 3.115 3.270 -14.648 1.00 0.00 C ATOM 221 CZ PHE A 434 4.382 2.812 -14.460 1.00 0.00 C ATOM 0 H PHE A 434 3.294 7.585 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 434 4.063 7.143 -12.635 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.832 5.329 -10.708 1.00 0.00 H new ATOM 0 HB3 PHE A 434 1.631 5.767 -11.908 1.00 0.00 H new ATOM 0 HD1 PHE A 434 5.153 4.572 -11.677 1.00 0.00 H new ATOM 0 HD2 PHE A 434 1.556 4.582 -13.895 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.125 2.901 -13.261 1.00 0.00 H new ATOM 0 HE2 PHE A 434 2.530 2.912 -15.482 1.00 0.00 H new ATOM 0 HZ PHE A 434 4.803 2.090 -15.144 1.00 0.00 H new ATOM 231 N ASN A 435 1.148 8.019 -11.372 1.00 0.00 N ATOM 232 CA ASN A 435 0.021 8.917 -11.555 1.00 0.00 C ATOM 233 C ASN A 435 -1.257 8.230 -11.068 1.00 0.00 C ATOM 234 O ASN A 435 -2.164 8.887 -10.559 1.00 0.00 O ATOM 235 CB ASN A 435 -0.167 9.272 -13.031 1.00 0.00 C ATOM 236 CG ASN A 435 0.073 8.053 -13.923 1.00 0.00 C ATOM 237 OD1 ASN A 435 -0.221 6.924 -13.567 1.00 0.00 O ATOM 238 ND2 ASN A 435 0.622 8.343 -15.099 1.00 0.00 N ATOM 0 H ASN A 435 1.038 7.346 -10.614 1.00 0.00 H new ATOM 0 HA ASN A 435 0.219 9.826 -10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.176 9.652 -13.192 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.522 10.070 -13.307 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.822 7.598 -15.766 1.00 0.00 H new ATOM 0 HD22 ASN A 435 0.843 9.311 -15.334 1.00 0.00 H new ATOM 245 N SER A 436 -1.287 6.917 -11.241 1.00 0.00 N ATOM 246 CA SER A 436 -2.438 6.133 -10.826 1.00 0.00 C ATOM 247 C SER A 436 -2.027 4.677 -10.600 1.00 0.00 C ATOM 248 O SER A 436 -2.549 3.773 -11.251 1.00 0.00 O ATOM 249 CB SER A 436 -3.561 6.213 -11.862 1.00 0.00 C ATOM 250 OG SER A 436 -3.232 5.518 -13.061 1.00 0.00 O ATOM 0 H SER A 436 -0.532 6.376 -11.663 1.00 0.00 H new ATOM 0 HA SER A 436 -2.813 6.547 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.474 5.794 -11.439 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.767 7.258 -12.094 1.00 0.00 H new ATOM 0 HG SER A 436 -3.064 4.574 -12.857 1.00 0.00 H new ATOM 256 N PRO A 437 -1.070 4.491 -9.652 1.00 0.00 N ATOM 257 CA PRO A 437 -0.583 3.160 -9.332 1.00 0.00 C ATOM 258 C PRO A 437 -1.607 2.385 -8.500 1.00 0.00 C ATOM 259 O PRO A 437 -2.403 2.982 -7.777 1.00 0.00 O ATOM 260 CB PRO A 437 0.729 3.387 -8.598 1.00 0.00 C ATOM 261 CG PRO A 437 0.697 4.831 -8.126 1.00 0.00 C ATOM 262 CD PRO A 437 -0.430 5.538 -8.861 1.00 0.00 C ATOM 0 HA PRO A 437 -0.427 2.545 -10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.829 2.703 -7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.580 3.210 -9.255 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.538 4.877 -7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.650 5.320 -8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.133 5.993 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.048 6.337 -9.496 1.00 0.00 H new ATOM 270 N TYR A 438 -1.554 1.068 -8.631 1.00 0.00 N ATOM 271 CA TYR A 438 -2.468 0.206 -7.901 1.00 0.00 C ATOM 272 C TYR A 438 -1.776 -0.426 -6.691 1.00 0.00 C ATOM 273 O TYR A 438 -0.583 -0.722 -6.738 1.00 0.00 O ATOM 274 CB TYR A 438 -2.874 -0.900 -8.876 1.00 0.00 C ATOM 275 CG TYR A 438 -3.418 -0.384 -10.210 1.00 0.00 C ATOM 276 CD1 TYR A 438 -2.548 0.063 -11.183 1.00 0.00 C ATOM 277 CD2 TYR A 438 -4.779 -0.366 -10.440 1.00 0.00 C ATOM 278 CE1 TYR A 438 -3.060 0.548 -12.439 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.291 0.119 -11.695 1.00 0.00 C ATOM 280 CZ TYR A 438 -4.406 0.552 -12.633 1.00 0.00 C ATOM 281 OH TYR A 438 -4.890 1.011 -13.818 1.00 0.00 O ATOM 0 H TYR A 438 -0.892 0.577 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.323 0.775 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -2.010 -1.535 -9.069 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.631 -1.526 -8.404 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.483 0.049 -11.003 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.460 -0.716 -9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -2.390 0.901 -13.209 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.354 0.139 -11.887 1.00 0.00 H new ATOM 0 HH TYR A 438 -5.868 0.954 -13.816 1.00 0.00 H new ATOM 291 N ILE A 439 -2.556 -0.615 -5.636 1.00 0.00 N ATOM 292 CA ILE A 439 -2.033 -1.206 -4.416 1.00 0.00 C ATOM 293 C ILE A 439 -2.857 -2.446 -4.062 1.00 0.00 C ATOM 294 O ILE A 439 -4.055 -2.345 -3.801 1.00 0.00 O ATOM 295 CB ILE A 439 -1.977 -0.164 -3.297 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.958 -0.563 -2.227 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.366 0.078 -2.703 1.00 0.00 C ATOM 298 CD1 ILE A 439 -0.917 0.468 -1.098 1.00 0.00 C ATOM 0 H ILE A 439 -3.545 -0.369 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 439 -1.005 -1.537 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.641 0.780 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -1.215 -1.542 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 439 0.031 -0.654 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.298 0.823 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -4.037 0.438 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.754 -0.854 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.185 0.161 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -0.636 1.440 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.901 0.539 -0.634 1.00 0.00 H new ATOM 310 N HIS A 440 -2.182 -3.586 -4.064 1.00 0.00 N ATOM 311 CA HIS A 440 -2.837 -4.844 -3.746 1.00 0.00 C ATOM 312 C HIS A 440 -2.663 -5.152 -2.258 1.00 0.00 C ATOM 313 O HIS A 440 -1.541 -5.330 -1.785 1.00 0.00 O ATOM 314 CB HIS A 440 -2.323 -5.967 -4.649 1.00 0.00 C ATOM 315 CG HIS A 440 -3.172 -7.216 -4.620 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.362 -7.330 -5.317 1.00 0.00 N ATOM 317 CD2 HIS A 440 -2.991 -8.402 -3.971 1.00 0.00 C ATOM 318 CE1 HIS A 440 -4.866 -8.534 -5.091 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.015 -9.197 -4.256 1.00 0.00 N ATOM 0 H HIS A 440 -1.188 -3.665 -4.281 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.906 -4.761 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.270 -5.600 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.307 -6.224 -4.350 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.156 -8.652 -3.333 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -5.789 -8.922 -5.497 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.144 -10.147 -3.908 1.00 0.00 H new ATOM 327 N TYR A 441 -3.788 -5.205 -1.561 1.00 0.00 N ATOM 328 CA TYR A 441 -3.774 -5.488 -0.136 1.00 0.00 C ATOM 329 C TYR A 441 -4.768 -6.597 0.213 1.00 0.00 C ATOM 330 O TYR A 441 -5.754 -6.797 -0.495 1.00 0.00 O ATOM 331 CB TYR A 441 -4.208 -4.194 0.555 1.00 0.00 C ATOM 332 CG TYR A 441 -5.624 -3.740 0.193 1.00 0.00 C ATOM 333 CD1 TYR A 441 -6.715 -4.443 0.663 1.00 0.00 C ATOM 334 CD2 TYR A 441 -5.809 -2.628 -0.603 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.047 -4.015 0.322 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.141 -2.201 -0.943 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.195 -2.915 -0.464 1.00 0.00 C ATOM 338 OH TYR A 441 -9.453 -2.512 -0.786 1.00 0.00 O ATOM 0 H TYR A 441 -4.716 -5.057 -1.957 1.00 0.00 H new ATOM 0 HA TYR A 441 -2.785 -5.819 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.147 -4.332 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -3.506 -3.402 0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.570 -5.313 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -4.955 -2.078 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -8.910 -4.556 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.300 -1.333 -1.565 1.00 0.00 H new ATOM 0 HH TYR A 441 -9.406 -1.713 -1.351 1.00 0.00 H new ATOM 348 N ARG A 442 -4.475 -7.290 1.303 1.00 0.00 N ATOM 349 CA ARG A 442 -5.331 -8.374 1.754 1.00 0.00 C ATOM 350 C ARG A 442 -5.233 -8.530 3.273 1.00 0.00 C ATOM 351 O ARG A 442 -4.144 -8.717 3.813 1.00 0.00 O ATOM 352 CB ARG A 442 -4.944 -9.695 1.087 1.00 0.00 C ATOM 353 CG ARG A 442 -5.374 -10.888 1.943 1.00 0.00 C ATOM 354 CD ARG A 442 -4.980 -12.209 1.279 1.00 0.00 C ATOM 355 NE ARG A 442 -4.288 -13.080 2.256 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.886 -14.342 1.994 1.00 0.00 C ATOM 357 NH1 ARG A 442 -4.103 -14.892 0.780 1.00 0.00 N ATOM 358 NH2 ARG A 442 -3.277 -15.029 2.942 1.00 0.00 N ATOM 0 H ARG A 442 -3.656 -7.122 1.888 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.355 -8.126 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.411 -9.761 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -3.866 -9.725 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -4.911 -10.819 2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.453 -10.861 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.868 -12.712 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.329 -12.017 0.426 1.00 0.00 H new ATOM 0 HE ARG A 442 -4.103 -12.703 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.574 -14.353 0.053 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.796 -15.846 0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -3.117 -14.605 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.967 -15.984 2.761 1.00 0.00 H new ATOM 371 N PRO A 443 -6.417 -8.446 3.937 1.00 0.00 N ATOM 372 CA PRO A 443 -6.476 -8.576 5.383 1.00 0.00 C ATOM 373 C PRO A 443 -6.301 -10.035 5.810 1.00 0.00 C ATOM 374 O PRO A 443 -6.918 -10.931 5.237 1.00 0.00 O ATOM 375 CB PRO A 443 -7.826 -8.000 5.776 1.00 0.00 C ATOM 376 CG PRO A 443 -8.663 -7.996 4.507 1.00 0.00 C ATOM 377 CD PRO A 443 -7.727 -8.225 3.331 1.00 0.00 C ATOM 0 HA PRO A 443 -5.669 -8.043 5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.297 -8.603 6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -7.719 -6.992 6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.423 -8.777 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.187 -7.047 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -8.039 -9.085 2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -7.714 -7.364 2.662 1.00 0.00 H new ATOM 385 N ALA A 444 -5.457 -10.228 6.813 1.00 0.00 N ATOM 386 CA ALA A 444 -5.193 -11.562 7.323 1.00 0.00 C ATOM 387 C ALA A 444 -6.518 -12.241 7.674 1.00 0.00 C ATOM 388 O ALA A 444 -7.084 -11.993 8.737 1.00 0.00 O ATOM 389 CB ALA A 444 -4.248 -11.473 8.523 1.00 0.00 C ATOM 0 H ALA A 444 -4.947 -9.482 7.286 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.701 -12.171 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -4.050 -12.474 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.310 -11.011 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.709 -10.870 9.305 1.00 0.00 H new ATOM 395 N GLY A 445 -6.975 -13.084 6.759 1.00 0.00 N ATOM 396 CA GLY A 445 -8.224 -13.800 6.959 1.00 0.00 C ATOM 397 C GLY A 445 -9.306 -13.291 6.004 1.00 0.00 C ATOM 398 O GLY A 445 -10.458 -13.714 6.084 1.00 0.00 O ATOM 0 H GLY A 445 -6.503 -13.287 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -8.066 -14.867 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.557 -13.678 7.990 1.00 0.00 H new ATOM 402 N GLY A 446 -8.897 -12.389 5.123 1.00 0.00 N ATOM 403 CA GLY A 446 -9.817 -11.818 4.155 1.00 0.00 C ATOM 404 C GLY A 446 -9.491 -12.298 2.739 1.00 0.00 C ATOM 405 O GLY A 446 -8.955 -13.390 2.558 1.00 0.00 O ATOM 0 H GLY A 446 -7.941 -12.040 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.839 -12.097 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.764 -10.730 4.195 1.00 0.00 H new ATOM 409 N SER A 447 -9.830 -11.458 1.772 1.00 0.00 N ATOM 410 CA SER A 447 -9.580 -11.784 0.378 1.00 0.00 C ATOM 411 C SER A 447 -8.773 -10.665 -0.284 1.00 0.00 C ATOM 412 O SER A 447 -8.796 -9.524 0.174 1.00 0.00 O ATOM 413 CB SER A 447 -10.891 -12.011 -0.378 1.00 0.00 C ATOM 414 OG SER A 447 -12.015 -12.031 0.497 1.00 0.00 O ATOM 0 H SER A 447 -10.275 -10.553 1.926 1.00 0.00 H new ATOM 0 HA SER A 447 -9.005 -12.709 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 447 -11.023 -11.223 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.838 -12.954 -0.921 1.00 0.00 H new ATOM 0 HG SER A 447 -12.832 -12.176 -0.024 1.00 0.00 H new ATOM 420 N TRP A 448 -8.078 -11.032 -1.351 1.00 0.00 N ATOM 421 CA TRP A 448 -7.265 -10.074 -2.080 1.00 0.00 C ATOM 422 C TRP A 448 -8.205 -9.082 -2.768 1.00 0.00 C ATOM 423 O TRP A 448 -9.403 -9.337 -2.887 1.00 0.00 O ATOM 424 CB TRP A 448 -6.326 -10.783 -3.058 1.00 0.00 C ATOM 425 CG TRP A 448 -5.026 -11.281 -2.423 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.583 -12.542 -2.329 1.00 0.00 C ATOM 427 CD2 TRP A 448 -4.012 -10.470 -1.792 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.363 -12.604 -1.687 1.00 0.00 N ATOM 429 CE2 TRP A 448 -3.005 -11.304 -1.350 1.00 0.00 C ATOM 430 CE3 TRP A 448 -3.948 -9.079 -1.601 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.861 -10.840 -0.690 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.798 -8.631 -0.939 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.775 -9.457 -0.488 1.00 0.00 C ATOM 0 H TRP A 448 -8.061 -11.980 -1.728 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.615 -9.524 -1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.850 -11.630 -3.499 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.082 -10.100 -3.872 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.114 -13.402 -2.708 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.824 -13.448 -1.495 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.725 -8.408 -1.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -1.086 -11.513 -0.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.699 -7.569 -0.767 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -0.918 -9.034 0.016 1.00 0.00 H new ATOM 444 N THR A 449 -7.628 -7.971 -3.201 1.00 0.00 N ATOM 445 CA THR A 449 -8.400 -6.939 -3.873 1.00 0.00 C ATOM 446 C THR A 449 -8.475 -7.222 -5.375 1.00 0.00 C ATOM 447 O THR A 449 -7.886 -8.188 -5.858 1.00 0.00 O ATOM 448 CB THR A 449 -7.769 -5.585 -3.541 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.037 -5.828 -2.343 1.00 0.00 O ATOM 450 CG2 THR A 449 -8.809 -4.539 -3.136 1.00 0.00 C ATOM 0 H THR A 449 -6.635 -7.763 -3.100 1.00 0.00 H new ATOM 0 HA THR A 449 -9.433 -6.927 -3.524 1.00 0.00 H new ATOM 0 HB THR A 449 -7.208 -5.225 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 449 -7.348 -5.220 -1.640 1.00 0.00 H new ATOM 0 HG21 THR A 449 -8.309 -3.597 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.513 -4.390 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 449 -9.347 -4.884 -2.253 1.00 0.00 H new ATOM 458 N ALA A 450 -9.204 -6.363 -6.071 1.00 0.00 N ATOM 459 CA ALA A 450 -9.364 -6.508 -7.508 1.00 0.00 C ATOM 460 C ALA A 450 -8.067 -6.095 -8.206 1.00 0.00 C ATOM 461 O ALA A 450 -7.856 -4.915 -8.482 1.00 0.00 O ATOM 462 CB ALA A 450 -10.566 -5.684 -7.974 1.00 0.00 C ATOM 0 H ALA A 450 -9.691 -5.563 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.561 -7.548 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.686 -5.793 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.466 -6.037 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.403 -4.634 -7.731 1.00 0.00 H new ATOM 468 N ALA A 451 -7.232 -7.089 -8.471 1.00 0.00 N ATOM 469 CA ALA A 451 -5.962 -6.843 -9.131 1.00 0.00 C ATOM 470 C ALA A 451 -6.210 -6.101 -10.446 1.00 0.00 C ATOM 471 O ALA A 451 -7.155 -6.412 -11.169 1.00 0.00 O ATOM 472 CB ALA A 451 -5.229 -8.170 -9.340 1.00 0.00 C ATOM 0 H ALA A 451 -7.411 -8.066 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.324 -6.212 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.276 -7.985 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.050 -8.643 -8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.838 -8.828 -9.959 1.00 0.00 H new ATOM 478 N PRO A 452 -5.322 -5.109 -10.723 1.00 0.00 N ATOM 479 CA PRO A 452 -4.231 -4.805 -9.812 1.00 0.00 C ATOM 480 C PRO A 452 -4.739 -4.054 -8.579 1.00 0.00 C ATOM 481 O PRO A 452 -5.306 -2.969 -8.699 1.00 0.00 O ATOM 482 CB PRO A 452 -3.245 -3.994 -10.637 1.00 0.00 C ATOM 483 CG PRO A 452 -4.026 -3.479 -11.834 1.00 0.00 C ATOM 484 CD PRO A 452 -5.333 -4.253 -11.905 1.00 0.00 C ATOM 0 HA PRO A 452 -3.754 -5.700 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -2.834 -3.169 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.403 -4.609 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.220 -2.411 -11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.452 -3.614 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.192 -3.581 -11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.395 -4.842 -12.820 1.00 0.00 H new ATOM 492 N GLY A 453 -4.517 -4.662 -7.423 1.00 0.00 N ATOM 493 CA GLY A 453 -4.945 -4.065 -6.170 1.00 0.00 C ATOM 494 C GLY A 453 -6.000 -2.983 -6.410 1.00 0.00 C ATOM 495 O GLY A 453 -6.952 -3.194 -7.159 1.00 0.00 O ATOM 0 H GLY A 453 -4.046 -5.562 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -5.352 -4.836 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.086 -3.633 -5.657 1.00 0.00 H new ATOM 499 N VAL A 454 -5.794 -1.847 -5.760 1.00 0.00 N ATOM 500 CA VAL A 454 -6.716 -0.731 -5.893 1.00 0.00 C ATOM 501 C VAL A 454 -5.923 0.551 -6.157 1.00 0.00 C ATOM 502 O VAL A 454 -4.908 0.802 -5.509 1.00 0.00 O ATOM 503 CB VAL A 454 -7.608 -0.638 -4.653 1.00 0.00 C ATOM 504 CG1 VAL A 454 -6.885 0.077 -3.510 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.932 0.053 -4.982 1.00 0.00 C ATOM 0 H VAL A 454 -5.003 -1.675 -5.140 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.380 -0.884 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 454 -7.832 -1.653 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.541 0.130 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -5.981 -0.474 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.617 1.086 -3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.548 0.106 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.735 1.061 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.458 -0.515 -5.749 1.00 0.00 H new ATOM 515 N LYS A 455 -6.417 1.328 -7.110 1.00 0.00 N ATOM 516 CA LYS A 455 -5.767 2.578 -7.467 1.00 0.00 C ATOM 517 C LYS A 455 -5.663 3.467 -6.227 1.00 0.00 C ATOM 518 O LYS A 455 -6.669 3.985 -5.743 1.00 0.00 O ATOM 519 CB LYS A 455 -6.491 3.241 -8.641 1.00 0.00 C ATOM 520 CG LYS A 455 -5.826 4.567 -9.016 1.00 0.00 C ATOM 521 CD LYS A 455 -6.854 5.563 -9.555 1.00 0.00 C ATOM 522 CE LYS A 455 -7.583 6.272 -8.412 1.00 0.00 C ATOM 523 NZ LYS A 455 -8.751 7.021 -8.927 1.00 0.00 N ATOM 0 H LYS A 455 -7.259 1.116 -7.645 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.750 2.394 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.486 2.571 -9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.535 3.415 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.329 4.989 -8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -5.056 4.392 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -6.356 6.300 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -7.576 5.041 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -7.910 5.541 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -6.900 6.955 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -9.234 7.496 -8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.431 7.732 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -9.409 6.362 -9.390 1.00 0.00 H new ATOM 536 N MET A 456 -4.437 3.617 -5.746 1.00 0.00 N ATOM 537 CA MET A 456 -4.189 4.434 -4.571 1.00 0.00 C ATOM 538 C MET A 456 -4.787 5.832 -4.739 1.00 0.00 C ATOM 539 O MET A 456 -4.488 6.527 -5.709 1.00 0.00 O ATOM 540 CB MET A 456 -2.681 4.548 -4.337 1.00 0.00 C ATOM 541 CG MET A 456 -2.092 3.208 -3.893 1.00 0.00 C ATOM 542 SD MET A 456 -0.617 2.848 -4.831 1.00 0.00 S ATOM 543 CE MET A 456 0.450 2.271 -3.522 1.00 0.00 C ATOM 0 H MET A 456 -3.605 3.186 -6.149 1.00 0.00 H new ATOM 0 HA MET A 456 -4.664 3.957 -3.713 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.191 4.879 -5.253 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.483 5.305 -3.578 1.00 0.00 H new ATOM 0 HG2 MET A 456 -1.858 3.239 -2.829 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.826 2.414 -4.035 1.00 0.00 H new ATOM 0 HE1 MET A 456 1.490 2.356 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 456 0.290 2.876 -2.629 1.00 0.00 H new ATOM 0 HE3 MET A 456 0.222 1.229 -3.300 1.00 0.00 H new ATOM 553 N GLN A 457 -5.622 6.203 -3.779 1.00 0.00 N ATOM 554 CA GLN A 457 -6.265 7.506 -3.809 1.00 0.00 C ATOM 555 C GLN A 457 -5.223 8.608 -4.013 1.00 0.00 C ATOM 556 O GLN A 457 -4.023 8.339 -4.018 1.00 0.00 O ATOM 557 CB GLN A 457 -7.075 7.746 -2.534 1.00 0.00 C ATOM 558 CG GLN A 457 -7.922 6.522 -2.183 1.00 0.00 C ATOM 559 CD GLN A 457 -8.578 5.933 -3.433 1.00 0.00 C ATOM 560 OE1 GLN A 457 -8.139 4.937 -3.986 1.00 0.00 O ATOM 561 NE2 GLN A 457 -9.651 6.601 -3.847 1.00 0.00 N ATOM 0 H GLN A 457 -5.868 5.624 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.958 7.529 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.401 7.975 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.721 8.614 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.297 5.767 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -8.690 6.801 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.965 7.427 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -10.160 6.287 -4.674 1.00 0.00 H new ATOM 570 N ASP A 458 -5.720 9.825 -4.175 1.00 0.00 N ATOM 571 CA ASP A 458 -4.847 10.969 -4.379 1.00 0.00 C ATOM 572 C ASP A 458 -4.397 11.510 -3.021 1.00 0.00 C ATOM 573 O ASP A 458 -5.210 11.671 -2.112 1.00 0.00 O ATOM 574 CB ASP A 458 -5.576 12.093 -5.118 1.00 0.00 C ATOM 575 CG ASP A 458 -6.867 11.673 -5.823 1.00 0.00 C ATOM 576 OD1 ASP A 458 -6.972 10.555 -6.351 1.00 0.00 O ATOM 577 OD2 ASP A 458 -7.804 12.559 -5.819 1.00 0.00 O ATOM 0 H ASP A 458 -6.716 10.044 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.994 10.641 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.810 12.884 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.899 12.520 -5.857 1.00 0.00 H new ATOM 583 N ALA A 459 -3.102 11.775 -2.925 1.00 0.00 N ATOM 584 CA ALA A 459 -2.534 12.295 -1.693 1.00 0.00 C ATOM 585 C ALA A 459 -2.030 13.720 -1.929 1.00 0.00 C ATOM 586 O ALA A 459 -0.974 13.917 -2.529 1.00 0.00 O ATOM 587 CB ALA A 459 -1.426 11.358 -1.207 1.00 0.00 C ATOM 0 H ALA A 459 -2.430 11.639 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.291 12.339 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -0.999 11.748 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.841 10.367 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.647 11.291 -1.966 1.00 0.00 H new ATOM 593 N GLU A 460 -2.809 14.676 -1.446 1.00 0.00 N ATOM 594 CA GLU A 460 -2.455 16.077 -1.598 1.00 0.00 C ATOM 595 C GLU A 460 -1.110 16.361 -0.925 1.00 0.00 C ATOM 596 O GLU A 460 -0.495 17.397 -1.172 1.00 0.00 O ATOM 597 CB GLU A 460 -3.552 16.984 -1.035 1.00 0.00 C ATOM 598 CG GLU A 460 -3.662 16.834 0.483 1.00 0.00 C ATOM 599 CD GLU A 460 -4.752 17.747 1.047 1.00 0.00 C ATOM 600 OE1 GLU A 460 -4.718 18.966 0.820 1.00 0.00 O ATOM 601 OE2 GLU A 460 -5.660 17.149 1.741 1.00 0.00 O ATOM 0 H GLU A 460 -3.684 14.508 -0.949 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.360 16.294 -2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.335 18.022 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.507 16.736 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.885 15.797 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.705 17.075 0.946 1.00 0.00 H new ATOM 609 N ILE A 461 -0.694 15.423 -0.087 1.00 0.00 N ATOM 610 CA ILE A 461 0.566 15.559 0.623 1.00 0.00 C ATOM 611 C ILE A 461 1.531 16.399 -0.216 1.00 0.00 C ATOM 612 O ILE A 461 2.165 17.320 0.297 1.00 0.00 O ATOM 613 CB ILE A 461 1.118 14.184 1.003 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.105 13.397 1.836 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.467 14.312 1.713 1.00 0.00 C ATOM 616 CD1 ILE A 461 -0.685 14.326 2.760 1.00 0.00 C ATOM 0 H ILE A 461 -1.208 14.565 0.116 1.00 0.00 H new ATOM 0 HA ILE A 461 0.418 16.088 1.564 1.00 0.00 H new ATOM 0 HB ILE A 461 1.288 13.620 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 461 -0.581 12.866 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 461 0.623 12.643 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 461 2.837 13.320 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.181 14.804 1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 461 2.346 14.903 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -1.398 13.741 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 461 0.001 14.837 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 461 -1.222 15.063 2.163 1.00 0.00 H new ATOM 628 N SER A 462 1.613 16.051 -1.491 1.00 0.00 N ATOM 629 CA SER A 462 2.491 16.762 -2.406 1.00 0.00 C ATOM 630 C SER A 462 2.902 15.842 -3.557 1.00 0.00 C ATOM 631 O SER A 462 4.071 15.800 -3.936 1.00 0.00 O ATOM 632 CB SER A 462 3.730 17.291 -1.681 1.00 0.00 C ATOM 633 OG SER A 462 3.545 18.623 -1.212 1.00 0.00 O ATOM 0 H SER A 462 1.086 15.286 -1.913 1.00 0.00 H new ATOM 0 HA SER A 462 1.947 17.616 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 462 3.963 16.639 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.586 17.260 -2.355 1.00 0.00 H new ATOM 0 HG SER A 462 3.012 18.609 -0.389 1.00 0.00 H new ATOM 639 N GLY A 463 1.917 15.127 -4.082 1.00 0.00 N ATOM 640 CA GLY A 463 2.162 14.210 -5.182 1.00 0.00 C ATOM 641 C GLY A 463 2.336 12.777 -4.673 1.00 0.00 C ATOM 642 O GLY A 463 3.274 12.085 -5.066 1.00 0.00 O ATOM 0 H GLY A 463 0.948 15.165 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.331 14.251 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.056 14.518 -5.725 1.00 0.00 H new ATOM 646 N TYR A 464 1.418 12.375 -3.807 1.00 0.00 N ATOM 647 CA TYR A 464 1.459 11.038 -3.241 1.00 0.00 C ATOM 648 C TYR A 464 0.108 10.335 -3.395 1.00 0.00 C ATOM 649 O TYR A 464 -0.849 10.926 -3.891 1.00 0.00 O ATOM 650 CB TYR A 464 1.759 11.220 -1.751 1.00 0.00 C ATOM 651 CG TYR A 464 3.243 11.107 -1.397 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.152 11.988 -1.946 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.672 10.124 -0.528 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.549 11.882 -1.612 1.00 0.00 C ATOM 655 CE2 TYR A 464 5.069 10.018 -0.194 1.00 0.00 C ATOM 656 CZ TYR A 464 5.938 10.902 -0.753 1.00 0.00 C ATOM 657 OH TYR A 464 7.258 10.802 -0.438 1.00 0.00 O ATOM 0 H TYR A 464 0.641 12.952 -3.484 1.00 0.00 H new ATOM 0 HA TYR A 464 2.208 10.430 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.394 12.197 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.203 10.473 -1.185 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.816 12.757 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.960 9.435 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.271 12.565 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.418 9.254 0.485 1.00 0.00 H new ATOM 0 HH TYR A 464 7.390 10.058 0.186 1.00 0.00 H new ATOM 667 N ALA A 465 0.075 9.085 -2.959 1.00 0.00 N ATOM 668 CA ALA A 465 -1.142 8.295 -3.043 1.00 0.00 C ATOM 669 C ALA A 465 -1.532 7.817 -1.643 1.00 0.00 C ATOM 670 O ALA A 465 -0.667 7.571 -0.804 1.00 0.00 O ATOM 671 CB ALA A 465 -0.933 7.136 -4.018 1.00 0.00 C ATOM 0 H ALA A 465 0.871 8.599 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.965 8.898 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.846 6.544 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.688 7.530 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -0.116 6.507 -3.665 1.00 0.00 H new ATOM 677 N LYS A 466 -2.835 7.699 -1.434 1.00 0.00 N ATOM 678 CA LYS A 466 -3.350 7.254 -0.150 1.00 0.00 C ATOM 679 C LYS A 466 -4.363 6.130 -0.373 1.00 0.00 C ATOM 680 O LYS A 466 -5.111 6.148 -1.349 1.00 0.00 O ATOM 681 CB LYS A 466 -3.909 8.438 0.642 1.00 0.00 C ATOM 682 CG LYS A 466 -2.807 9.445 0.976 1.00 0.00 C ATOM 683 CD LYS A 466 -3.399 10.812 1.322 1.00 0.00 C ATOM 684 CE LYS A 466 -4.240 10.738 2.598 1.00 0.00 C ATOM 685 NZ LYS A 466 -4.835 12.058 2.904 1.00 0.00 N ATOM 0 H LYS A 466 -3.550 7.904 -2.132 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.547 6.842 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.692 8.929 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.370 8.079 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.216 9.078 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.129 9.542 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.596 11.537 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -4.016 11.165 0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.029 9.996 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.619 10.411 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.402 11.990 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.077 12.757 3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.444 12.356 2.115 1.00 0.00 H new ATOM 698 N ILE A 467 -4.354 5.177 0.548 1.00 0.00 N ATOM 699 CA ILE A 467 -5.263 4.047 0.464 1.00 0.00 C ATOM 700 C ILE A 467 -5.579 3.546 1.875 1.00 0.00 C ATOM 701 O ILE A 467 -4.673 3.319 2.675 1.00 0.00 O ATOM 702 CB ILE A 467 -4.691 2.967 -0.458 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.745 2.484 -1.455 1.00 0.00 C ATOM 704 CG2 ILE A 467 -4.096 1.814 0.352 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.655 1.428 -0.823 1.00 0.00 C ATOM 0 H ILE A 467 -3.731 5.165 1.356 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.208 4.351 0.014 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.878 3.406 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -6.344 3.329 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.255 2.067 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.697 1.061 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -3.295 2.191 0.987 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.872 1.367 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.395 1.102 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.056 0.574 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -7.162 1.855 0.042 1.00 0.00 H new ATOM 717 N THR A 468 -6.868 3.388 2.137 1.00 0.00 N ATOM 718 CA THR A 468 -7.315 2.919 3.437 1.00 0.00 C ATOM 719 C THR A 468 -8.177 1.664 3.284 1.00 0.00 C ATOM 720 O THR A 468 -9.135 1.655 2.513 1.00 0.00 O ATOM 721 CB THR A 468 -8.041 4.073 4.132 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.216 5.206 3.876 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.027 3.939 5.656 1.00 0.00 C ATOM 0 H THR A 468 -7.617 3.577 1.471 1.00 0.00 H new ATOM 0 HA THR A 468 -6.472 2.622 4.061 1.00 0.00 H new ATOM 0 HB THR A 468 -9.072 4.118 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.613 6.000 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.555 4.783 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.520 3.010 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 468 -6.996 3.928 6.011 1.00 0.00 H new ATOM 731 N VAL A 469 -7.805 0.634 4.030 1.00 0.00 N ATOM 732 CA VAL A 469 -8.532 -0.623 3.987 1.00 0.00 C ATOM 733 C VAL A 469 -8.791 -1.107 5.415 1.00 0.00 C ATOM 734 O VAL A 469 -7.902 -1.053 6.264 1.00 0.00 O ATOM 735 CB VAL A 469 -7.765 -1.641 3.141 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.658 -2.825 2.764 1.00 0.00 C ATOM 737 CG2 VAL A 469 -7.173 -0.983 1.893 1.00 0.00 C ATOM 0 H VAL A 469 -7.009 0.645 4.668 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.502 -0.487 3.509 1.00 0.00 H new ATOM 0 HB VAL A 469 -6.940 -2.021 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -8.088 -3.534 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -9.010 -3.318 3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.513 -2.468 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.633 -1.729 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -7.976 -0.561 1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.488 -0.189 2.190 1.00 0.00 H new ATOM 747 N ASP A 470 -10.012 -1.570 5.636 1.00 0.00 N ATOM 748 CA ASP A 470 -10.400 -2.062 6.947 1.00 0.00 C ATOM 749 C ASP A 470 -9.993 -3.532 7.076 1.00 0.00 C ATOM 750 O ASP A 470 -10.032 -4.278 6.098 1.00 0.00 O ATOM 751 CB ASP A 470 -11.914 -1.972 7.144 1.00 0.00 C ATOM 752 CG ASP A 470 -12.440 -2.626 8.424 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.631 -3.849 8.484 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.660 -1.812 9.401 1.00 0.00 O ATOM 0 H ASP A 470 -10.746 -1.615 4.929 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.902 -1.449 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.203 -0.921 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.405 -2.436 6.289 1.00 0.00 H new ATOM 760 N ILE A 471 -9.612 -3.903 8.289 1.00 0.00 N ATOM 761 CA ILE A 471 -9.198 -5.270 8.558 1.00 0.00 C ATOM 762 C ILE A 471 -9.958 -5.798 9.776 1.00 0.00 C ATOM 763 O ILE A 471 -9.486 -6.704 10.461 1.00 0.00 O ATOM 764 CB ILE A 471 -7.677 -5.351 8.699 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.227 -4.857 10.075 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.980 -4.599 7.564 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.713 -5.004 10.242 1.00 0.00 C ATOM 0 H ILE A 471 -9.581 -3.281 9.097 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.452 -5.917 7.719 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.382 -6.397 8.620 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.511 -3.812 10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.739 -5.422 10.854 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.900 -4.672 7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.266 -5.037 6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.277 -3.551 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.419 -4.646 11.229 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.436 -6.053 10.140 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.204 -4.418 9.477 1.00 0.00 H new ATOM 779 N GLY A 472 -11.122 -5.210 10.009 1.00 0.00 N ATOM 780 CA GLY A 472 -11.951 -5.609 11.133 1.00 0.00 C ATOM 781 C GLY A 472 -12.103 -7.131 11.189 1.00 0.00 C ATOM 782 O GLY A 472 -13.089 -7.678 10.700 1.00 0.00 O ATOM 0 H GLY A 472 -11.511 -4.460 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.508 -5.250 12.062 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.933 -5.145 11.048 1.00 0.00 H new ATOM 786 N SER A 473 -11.110 -7.770 11.790 1.00 0.00 N ATOM 787 CA SER A 473 -11.120 -9.218 11.916 1.00 0.00 C ATOM 788 C SER A 473 -9.690 -9.758 11.854 1.00 0.00 C ATOM 789 O SER A 473 -9.441 -10.908 12.213 1.00 0.00 O ATOM 790 CB SER A 473 -11.978 -9.860 10.824 1.00 0.00 C ATOM 791 OG SER A 473 -13.349 -9.947 11.204 1.00 0.00 O ATOM 0 H SER A 473 -10.293 -7.312 12.195 1.00 0.00 H new ATOM 0 HA SER A 473 -11.557 -9.475 12.881 1.00 0.00 H new ATOM 0 HB2 SER A 473 -11.892 -9.278 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.599 -10.858 10.605 1.00 0.00 H new ATOM 0 HG SER A 473 -13.822 -9.141 10.909 1.00 0.00 H new ATOM 797 N ALA A 474 -8.788 -8.904 11.395 1.00 0.00 N ATOM 798 CA ALA A 474 -7.389 -9.281 11.281 1.00 0.00 C ATOM 799 C ALA A 474 -6.527 -8.261 12.027 1.00 0.00 C ATOM 800 O ALA A 474 -6.803 -7.063 11.987 1.00 0.00 O ATOM 801 CB ALA A 474 -7.010 -9.395 9.803 1.00 0.00 C ATOM 0 H ALA A 474 -8.998 -7.951 11.097 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.216 -10.255 11.738 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -5.961 -9.678 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.630 -10.154 9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.168 -8.435 9.312 1.00 0.00 H new ATOM 807 N SER A 475 -5.501 -8.773 12.689 1.00 0.00 N ATOM 808 CA SER A 475 -4.597 -7.921 13.443 1.00 0.00 C ATOM 809 C SER A 475 -3.460 -7.436 12.542 1.00 0.00 C ATOM 810 O SER A 475 -2.563 -6.727 12.994 1.00 0.00 O ATOM 811 CB SER A 475 -4.032 -8.657 14.660 1.00 0.00 C ATOM 812 OG SER A 475 -4.979 -8.737 15.722 1.00 0.00 O ATOM 0 H SER A 475 -5.275 -9.767 12.719 1.00 0.00 H new ATOM 0 HA SER A 475 -5.160 -7.060 13.802 1.00 0.00 H new ATOM 0 HB2 SER A 475 -3.729 -9.662 14.367 1.00 0.00 H new ATOM 0 HB3 SER A 475 -3.136 -8.144 15.011 1.00 0.00 H new ATOM 0 HG SER A 475 -4.581 -9.215 16.479 1.00 0.00 H new ATOM 818 N GLN A 476 -3.534 -7.838 11.281 1.00 0.00 N ATOM 819 CA GLN A 476 -2.523 -7.454 10.312 1.00 0.00 C ATOM 820 C GLN A 476 -3.101 -7.494 8.896 1.00 0.00 C ATOM 821 O GLN A 476 -3.958 -8.324 8.595 1.00 0.00 O ATOM 822 CB GLN A 476 -1.287 -8.350 10.425 1.00 0.00 C ATOM 823 CG GLN A 476 -0.185 -7.887 9.470 1.00 0.00 C ATOM 824 CD GLN A 476 0.083 -8.939 8.391 1.00 0.00 C ATOM 825 OE1 GLN A 476 0.073 -8.458 7.152 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 0.285 -10.110 8.667 1.00 0.00 N flip ATOM 0 H GLN A 476 -4.279 -8.426 10.909 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.212 -6.432 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -0.915 -8.335 11.450 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -1.559 -9.381 10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.476 -6.947 9.002 1.00 0.00 H new ATOM 0 HG3 GLN A 476 0.730 -7.694 10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 476 0.279 -10.413 9.641 1.00 0.00 H new ATOM 0 HE22 GLN A 476 0.460 -10.786 7.924 1.00 0.00 H new ATOM 835 N LEU A 477 -2.610 -6.587 8.065 1.00 0.00 N ATOM 836 CA LEU A 477 -3.068 -6.508 6.688 1.00 0.00 C ATOM 837 C LEU A 477 -1.857 -6.435 5.756 1.00 0.00 C ATOM 838 O LEU A 477 -0.864 -5.782 6.073 1.00 0.00 O ATOM 839 CB LEU A 477 -4.049 -5.347 6.515 1.00 0.00 C ATOM 840 CG LEU A 477 -4.101 -4.714 5.123 1.00 0.00 C ATOM 841 CD1 LEU A 477 -2.734 -4.155 4.723 1.00 0.00 C ATOM 842 CD2 LEU A 477 -4.638 -5.707 4.090 1.00 0.00 C ATOM 0 H LEU A 477 -1.900 -5.900 8.318 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.624 -7.406 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -5.048 -5.701 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.793 -4.571 7.236 1.00 0.00 H new ATOM 0 HG LEU A 477 -4.795 -3.874 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.799 -3.711 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -2.428 -3.394 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -2.000 -4.961 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -4.665 -5.233 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -3.987 -6.581 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -5.645 -6.016 4.371 1.00 0.00 H new ATOM 854 N GLU A 478 -1.980 -7.113 4.624 1.00 0.00 N ATOM 855 CA GLU A 478 -0.907 -7.134 3.644 1.00 0.00 C ATOM 856 C GLU A 478 -1.195 -6.133 2.523 1.00 0.00 C ATOM 857 O GLU A 478 -2.348 -5.931 2.147 1.00 0.00 O ATOM 858 CB GLU A 478 -0.704 -8.542 3.083 1.00 0.00 C ATOM 859 CG GLU A 478 0.664 -9.100 3.483 1.00 0.00 C ATOM 860 CD GLU A 478 0.568 -10.585 3.840 1.00 0.00 C ATOM 861 OE1 GLU A 478 -0.539 -11.099 4.060 1.00 0.00 O ATOM 862 OE2 GLU A 478 1.696 -11.209 3.883 1.00 0.00 O ATOM 0 H GLU A 478 -2.806 -7.652 4.364 1.00 0.00 H new ATOM 0 HA GLU A 478 0.018 -6.840 4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -1.491 -9.201 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.788 -8.520 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.370 -8.964 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.053 -8.542 4.335 1.00 0.00 H new ATOM 870 N ALA A 479 -0.125 -5.534 2.020 1.00 0.00 N ATOM 871 CA ALA A 479 -0.248 -4.559 0.949 1.00 0.00 C ATOM 872 C ALA A 479 0.892 -4.760 -0.051 1.00 0.00 C ATOM 873 O ALA A 479 1.925 -5.335 0.287 1.00 0.00 O ATOM 874 CB ALA A 479 -0.262 -3.148 1.542 1.00 0.00 C ATOM 0 H ALA A 479 0.830 -5.705 2.334 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.186 -4.696 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -0.354 -2.417 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -1.107 -3.048 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 479 0.666 -2.973 2.087 1.00 0.00 H new ATOM 880 N ALA A 480 0.666 -4.275 -1.263 1.00 0.00 N ATOM 881 CA ALA A 480 1.661 -4.394 -2.315 1.00 0.00 C ATOM 882 C ALA A 480 1.513 -3.222 -3.287 1.00 0.00 C ATOM 883 O ALA A 480 0.419 -2.686 -3.457 1.00 0.00 O ATOM 884 CB ALA A 480 1.511 -5.749 -3.009 1.00 0.00 C ATOM 0 H ALA A 480 -0.192 -3.799 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 480 2.667 -4.351 -1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 480 2.257 -5.838 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 480 1.655 -6.548 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.514 -5.828 -3.442 1.00 0.00 H new ATOM 890 N PHE A 481 2.630 -2.858 -3.899 1.00 0.00 N ATOM 891 CA PHE A 481 2.639 -1.758 -4.849 1.00 0.00 C ATOM 892 C PHE A 481 2.875 -2.266 -6.273 1.00 0.00 C ATOM 893 O PHE A 481 3.687 -3.164 -6.489 1.00 0.00 O ATOM 894 CB PHE A 481 3.792 -0.834 -4.453 1.00 0.00 C ATOM 895 CG PHE A 481 4.236 0.119 -5.565 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.306 0.752 -6.330 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.560 0.334 -5.788 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.718 1.636 -7.362 1.00 0.00 C ATOM 899 CE2 PHE A 481 5.972 1.218 -6.819 1.00 0.00 C ATOM 900 CZ PHE A 481 5.042 1.850 -7.585 1.00 0.00 C ATOM 0 H PHE A 481 3.535 -3.305 -3.756 1.00 0.00 H new ATOM 0 HA PHE A 481 1.679 -1.242 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.492 -0.248 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.644 -1.442 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.254 0.582 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.298 -0.168 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 481 2.980 2.138 -7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.024 1.389 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.356 2.522 -8.370 1.00 0.00 H new ATOM 910 N ASN A 482 2.149 -1.669 -7.207 1.00 0.00 N ATOM 911 CA ASN A 482 2.269 -2.050 -8.605 1.00 0.00 C ATOM 912 C ASN A 482 1.700 -0.934 -9.483 1.00 0.00 C ATOM 913 O ASN A 482 0.720 -0.289 -9.116 1.00 0.00 O ATOM 914 CB ASN A 482 1.482 -3.329 -8.896 1.00 0.00 C ATOM 915 CG ASN A 482 0.328 -3.501 -7.906 1.00 0.00 C ATOM 916 OD1 ASN A 482 0.520 -3.693 -6.717 1.00 0.00 O ATOM 917 ND2 ASN A 482 -0.878 -3.421 -8.461 1.00 0.00 N ATOM 0 H ASN A 482 1.476 -0.925 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 482 3.324 -2.219 -8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 482 1.091 -3.296 -9.913 1.00 0.00 H new ATOM 0 HB3 ASN A 482 2.147 -4.191 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 482 -1.713 -3.522 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.968 -3.258 -9.464 1.00 0.00 H new ATOM 924 N ASP A 483 2.340 -0.741 -10.628 1.00 0.00 N ATOM 925 CA ASP A 483 1.910 0.285 -11.561 1.00 0.00 C ATOM 926 C ASP A 483 0.911 -0.317 -12.551 1.00 0.00 C ATOM 927 O ASP A 483 0.849 0.099 -13.707 1.00 0.00 O ATOM 928 CB ASP A 483 3.094 0.834 -12.360 1.00 0.00 C ATOM 929 CG ASP A 483 3.925 -0.222 -13.092 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.795 -1.428 -12.835 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.746 0.244 -13.972 1.00 0.00 O ATOM 0 H ASP A 483 3.153 -1.278 -10.930 1.00 0.00 H new ATOM 0 HA ASP A 483 1.456 1.093 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.719 1.550 -13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 483 3.747 1.383 -11.682 1.00 0.00 H new ATOM 1097 N ASN A 495 4.875 -9.842 -0.726 1.00 0.00 N ATOM 1098 CA ASN A 495 3.985 -8.739 -0.409 1.00 0.00 C ATOM 1099 C ASN A 495 4.344 -8.178 0.968 1.00 0.00 C ATOM 1100 O ASN A 495 4.922 -8.880 1.796 1.00 0.00 O ATOM 1101 CB ASN A 495 2.527 -9.202 -0.366 1.00 0.00 C ATOM 1102 CG ASN A 495 1.822 -8.918 -1.694 1.00 0.00 C ATOM 1103 OD1 ASN A 495 2.306 -8.184 -2.539 1.00 0.00 O ATOM 1104 ND2 ASN A 495 0.653 -9.538 -1.829 1.00 0.00 N ATOM 0 HA ASN A 495 4.100 -7.981 -1.183 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.487 -10.270 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 495 2.004 -8.693 0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.104 -9.412 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 495 0.305 -10.139 -1.082 1.00 0.00 H new ATOM 1111 N TYR A 496 3.986 -6.919 1.171 1.00 0.00 N ATOM 1112 CA TYR A 496 4.263 -6.256 2.434 1.00 0.00 C ATOM 1113 C TYR A 496 3.148 -6.518 3.447 1.00 0.00 C ATOM 1114 O TYR A 496 2.021 -6.834 3.068 1.00 0.00 O ATOM 1115 CB TYR A 496 4.312 -4.759 2.122 1.00 0.00 C ATOM 1116 CG TYR A 496 5.474 -4.349 1.217 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.774 -4.461 1.668 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.224 -3.867 -0.052 1.00 0.00 C ATOM 1119 CE1 TYR A 496 7.868 -4.075 0.815 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.318 -3.481 -0.905 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.586 -3.604 -0.429 1.00 0.00 C ATOM 1122 OH TYR A 496 8.620 -3.239 -1.234 1.00 0.00 O ATOM 0 H TYR A 496 3.506 -6.340 0.482 1.00 0.00 H new ATOM 0 HA TYR A 496 5.194 -6.624 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.375 -4.467 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.382 -4.205 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 496 6.970 -4.838 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.207 -3.779 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 496 8.890 -4.158 1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.136 -3.102 -1.900 1.00 0.00 H new ATOM 0 HH TYR A 496 8.517 -3.663 -2.112 1.00 0.00 H new ATOM 1132 N SER A 497 3.501 -6.378 4.717 1.00 0.00 N ATOM 1133 CA SER A 497 2.544 -6.597 5.788 1.00 0.00 C ATOM 1134 C SER A 497 2.590 -5.430 6.777 1.00 0.00 C ATOM 1135 O SER A 497 3.668 -4.957 7.134 1.00 0.00 O ATOM 1136 CB SER A 497 2.818 -7.917 6.511 1.00 0.00 C ATOM 1137 OG SER A 497 2.393 -7.879 7.871 1.00 0.00 O ATOM 0 H SER A 497 4.436 -6.116 5.028 1.00 0.00 H new ATOM 0 HA SER A 497 1.548 -6.655 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.305 -8.727 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 497 3.885 -8.138 6.470 1.00 0.00 H new ATOM 0 HG SER A 497 2.724 -8.674 8.340 1.00 0.00 H new ATOM 1143 N PHE A 498 1.407 -5.000 7.192 1.00 0.00 N ATOM 1144 CA PHE A 498 1.300 -3.898 8.132 1.00 0.00 C ATOM 1145 C PHE A 498 0.163 -4.136 9.128 1.00 0.00 C ATOM 1146 O PHE A 498 -0.889 -4.658 8.761 1.00 0.00 O ATOM 1147 CB PHE A 498 0.992 -2.641 7.315 1.00 0.00 C ATOM 1148 CG PHE A 498 1.850 -2.490 6.058 1.00 0.00 C ATOM 1149 CD1 PHE A 498 3.204 -2.592 6.143 1.00 0.00 C ATOM 1150 CD2 PHE A 498 1.260 -2.254 4.856 1.00 0.00 C ATOM 1151 CE1 PHE A 498 4.001 -2.452 4.976 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.057 -2.114 3.689 1.00 0.00 C ATOM 1153 CZ PHE A 498 3.411 -2.216 3.774 1.00 0.00 C ATOM 0 H PHE A 498 0.515 -5.395 6.894 1.00 0.00 H new ATOM 0 HA PHE A 498 2.227 -3.799 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.059 -2.657 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 498 1.135 -1.765 7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 498 3.673 -2.779 7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 498 0.185 -2.173 4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 498 5.076 -2.533 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 498 1.588 -1.927 2.734 1.00 0.00 H new ATOM 0 HZ PHE A 498 4.017 -2.109 2.887 1.00 0.00 H new ATOM 1163 N SER A 499 0.413 -3.741 10.368 1.00 0.00 N ATOM 1164 CA SER A 499 -0.577 -3.905 11.419 1.00 0.00 C ATOM 1165 C SER A 499 -1.465 -2.662 11.500 1.00 0.00 C ATOM 1166 O SER A 499 -1.021 -1.556 11.196 1.00 0.00 O ATOM 1167 CB SER A 499 0.093 -4.169 12.769 1.00 0.00 C ATOM 1168 OG SER A 499 1.500 -3.947 12.720 1.00 0.00 O ATOM 0 H SER A 499 1.286 -3.308 10.668 1.00 0.00 H new ATOM 0 HA SER A 499 -1.195 -4.769 11.176 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.350 -3.522 13.526 1.00 0.00 H new ATOM 0 HB3 SER A 499 -0.101 -5.197 13.075 1.00 0.00 H new ATOM 0 HG SER A 499 1.890 -4.125 13.601 1.00 0.00 H new ATOM 1174 N THR A 500 -2.704 -2.886 11.913 1.00 0.00 N ATOM 1175 CA THR A 500 -3.659 -1.798 12.038 1.00 0.00 C ATOM 1176 C THR A 500 -2.931 -0.476 12.290 1.00 0.00 C ATOM 1177 O THR A 500 -1.973 -0.428 13.060 1.00 0.00 O ATOM 1178 CB THR A 500 -4.652 -2.165 13.142 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.827 -2.570 14.231 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.466 -3.416 12.805 1.00 0.00 C ATOM 0 H THR A 500 -3.068 -3.805 12.165 1.00 0.00 H new ATOM 0 HA THR A 500 -4.218 -1.654 11.113 1.00 0.00 H new ATOM 0 HB THR A 500 -5.328 -1.328 13.315 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.391 -2.824 14.992 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.155 -3.632 13.621 1.00 0.00 H new ATOM 0 HG22 THR A 500 -6.031 -3.246 11.888 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.793 -4.262 12.665 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.414 0.565 11.626 1.00 0.00 N ATOM 1189 CA GLY A 501 -2.821 1.883 11.768 1.00 0.00 C ATOM 1190 C GLY A 501 -2.534 2.506 10.401 1.00 0.00 C ATOM 1191 O GLY A 501 -3.254 2.252 9.436 1.00 0.00 O ATOM 0 H GLY A 501 -4.209 0.521 10.989 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.494 2.529 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -1.896 1.810 12.339 1.00 0.00 H new ATOM 1195 N THR A 502 -1.482 3.310 10.361 1.00 0.00 N ATOM 1196 CA THR A 502 -1.092 3.972 9.127 1.00 0.00 C ATOM 1197 C THR A 502 0.388 3.724 8.834 1.00 0.00 C ATOM 1198 O THR A 502 1.221 3.777 9.737 1.00 0.00 O ATOM 1199 CB THR A 502 -1.447 5.455 9.254 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.750 5.453 9.829 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.641 6.129 7.894 1.00 0.00 C ATOM 0 H THR A 502 -0.887 3.518 11.163 1.00 0.00 H new ATOM 0 HA THR A 502 -1.632 3.566 8.272 1.00 0.00 H new ATOM 0 HB THR A 502 -0.661 5.970 9.806 1.00 0.00 H new ATOM 0 HG1 THR A 502 -3.057 6.376 9.948 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.891 7.180 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.720 6.053 7.315 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.450 5.635 7.355 1.00 0.00 H new ATOM 1209 N SER A 503 0.672 3.458 7.567 1.00 0.00 N ATOM 1210 CA SER A 503 2.037 3.201 7.143 1.00 0.00 C ATOM 1211 C SER A 503 2.348 3.993 5.871 1.00 0.00 C ATOM 1212 O SER A 503 1.462 4.234 5.054 1.00 0.00 O ATOM 1213 CB SER A 503 2.270 1.707 6.909 1.00 0.00 C ATOM 1214 OG SER A 503 1.185 1.101 6.212 1.00 0.00 O ATOM 0 H SER A 503 -0.021 3.415 6.820 1.00 0.00 H new ATOM 0 HA SER A 503 2.708 3.525 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.189 1.568 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.410 1.207 7.868 1.00 0.00 H new ATOM 0 HG SER A 503 1.392 0.159 6.040 1.00 0.00 H new ATOM 1220 N THR A 504 3.611 4.375 5.744 1.00 0.00 N ATOM 1221 CA THR A 504 4.049 5.134 4.586 1.00 0.00 C ATOM 1222 C THR A 504 4.963 4.282 3.704 1.00 0.00 C ATOM 1223 O THR A 504 5.807 3.542 4.210 1.00 0.00 O ATOM 1224 CB THR A 504 4.713 6.419 5.086 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.620 7.246 5.475 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.393 7.203 3.962 1.00 0.00 C ATOM 0 H THR A 504 4.344 4.173 6.424 1.00 0.00 H new ATOM 0 HA THR A 504 3.206 5.411 3.953 1.00 0.00 H new ATOM 0 HB THR A 504 5.448 6.173 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.645 7.386 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.848 8.105 4.371 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.164 6.585 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.653 7.479 3.211 1.00 0.00 H new ATOM 1234 N TYR A 505 4.765 4.413 2.400 1.00 0.00 N ATOM 1235 CA TYR A 505 5.561 3.663 1.443 1.00 0.00 C ATOM 1236 C TYR A 505 6.303 4.603 0.491 1.00 0.00 C ATOM 1237 O TYR A 505 5.688 5.450 -0.155 1.00 0.00 O ATOM 1238 CB TYR A 505 4.569 2.820 0.639 1.00 0.00 C ATOM 1239 CG TYR A 505 5.227 1.742 -0.225 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.079 0.821 0.350 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.968 1.691 -1.580 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.697 -0.194 -0.464 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.586 0.676 -2.393 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.420 -0.216 -1.795 1.00 0.00 C ATOM 1245 OH TYR A 505 7.005 -1.174 -2.563 1.00 0.00 O ATOM 0 H TYR A 505 4.065 5.027 1.984 1.00 0.00 H new ATOM 0 HA TYR A 505 6.307 3.055 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.871 2.344 1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.984 3.479 -0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.282 0.861 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.302 2.412 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.365 -0.921 -0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.391 0.624 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 505 7.306 -1.912 -1.993 1.00 0.00 H new ATOM 1255 N THR A 506 7.614 4.422 0.435 1.00 0.00 N ATOM 1256 CA THR A 506 8.447 5.244 -0.427 1.00 0.00 C ATOM 1257 C THR A 506 9.376 4.365 -1.266 1.00 0.00 C ATOM 1258 O THR A 506 9.803 3.302 -0.819 1.00 0.00 O ATOM 1259 CB THR A 506 9.192 6.249 0.454 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.229 7.267 0.710 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.309 6.974 -0.300 1.00 0.00 C ATOM 0 H THR A 506 8.120 3.718 0.972 1.00 0.00 H new ATOM 0 HA THR A 506 7.845 5.802 -1.144 1.00 0.00 H new ATOM 0 HB THR A 506 9.612 5.733 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.628 7.960 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.805 7.675 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 506 11.034 6.246 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.885 7.518 -1.144 1.00 0.00 H new ATOM 1269 N PRO A 507 9.671 4.855 -2.500 1.00 0.00 N ATOM 1270 CA PRO A 507 10.543 4.126 -3.406 1.00 0.00 C ATOM 1271 C PRO A 507 12.005 4.242 -2.972 1.00 0.00 C ATOM 1272 O PRO A 507 12.425 5.281 -2.464 1.00 0.00 O ATOM 1273 CB PRO A 507 10.280 4.730 -4.776 1.00 0.00 C ATOM 1274 CG PRO A 507 9.622 6.076 -4.519 1.00 0.00 C ATOM 1275 CD PRO A 507 9.185 6.111 -3.063 1.00 0.00 C ATOM 0 HA PRO A 507 10.342 3.055 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.208 4.849 -5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.632 4.085 -5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.319 6.888 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.765 6.214 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.610 6.969 -2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.101 6.191 -2.977 1.00 0.00 H new ATOM 1346 N GLY A 514 11.832 -0.400 -1.783 1.00 0.00 N ATOM 1347 CA GLY A 514 10.521 -0.137 -1.214 1.00 0.00 C ATOM 1348 C GLY A 514 10.598 -0.016 0.309 1.00 0.00 C ATOM 1349 O GLY A 514 10.612 -1.024 1.015 1.00 0.00 O ATOM 0 HA2 GLY A 514 10.116 0.783 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.836 -0.940 -1.484 1.00 0.00 H new ATOM 1353 N THR A 515 10.646 1.225 0.770 1.00 0.00 N ATOM 1354 CA THR A 515 10.722 1.490 2.197 1.00 0.00 C ATOM 1355 C THR A 515 9.320 1.686 2.778 1.00 0.00 C ATOM 1356 O THR A 515 8.476 2.338 2.166 1.00 0.00 O ATOM 1357 CB THR A 515 11.640 2.696 2.406 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.491 3.456 1.210 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.120 2.310 2.420 1.00 0.00 C ATOM 0 H THR A 515 10.634 2.058 0.181 1.00 0.00 H new ATOM 0 HA THR A 515 11.147 0.643 2.735 1.00 0.00 H new ATOM 0 HB THR A 515 11.385 3.188 3.344 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.539 3.539 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.727 3.202 2.571 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.304 1.604 3.230 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.385 1.848 1.469 1.00 0.00 H new ATOM 1367 N ILE A 516 9.116 1.109 3.953 1.00 0.00 N ATOM 1368 CA ILE A 516 7.831 1.212 4.624 1.00 0.00 C ATOM 1369 C ILE A 516 8.033 1.813 6.016 1.00 0.00 C ATOM 1370 O ILE A 516 8.980 1.459 6.717 1.00 0.00 O ATOM 1371 CB ILE A 516 7.123 -0.145 4.637 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.262 -0.849 3.285 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.660 0.003 5.058 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.510 -2.347 3.470 1.00 0.00 C ATOM 0 H ILE A 516 9.819 0.569 4.458 1.00 0.00 H new ATOM 0 HA ILE A 516 7.170 1.886 4.079 1.00 0.00 H new ATOM 0 HB ILE A 516 7.609 -0.776 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.357 -0.696 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.085 -0.407 2.724 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.181 -0.976 5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.611 0.432 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.144 0.659 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.605 -2.823 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.428 -2.496 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.673 -2.790 4.010 1.00 0.00 H new ATOM 1386 N THR A 517 7.128 2.711 6.375 1.00 0.00 N ATOM 1387 CA THR A 517 7.196 3.365 7.671 1.00 0.00 C ATOM 1388 C THR A 517 5.852 3.255 8.395 1.00 0.00 C ATOM 1389 O THR A 517 4.828 2.978 7.772 1.00 0.00 O ATOM 1390 CB THR A 517 7.649 4.809 7.448 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.281 5.085 6.100 1.00 0.00 O ATOM 1392 CG2 THR A 517 9.172 4.953 7.456 1.00 0.00 C ATOM 0 H THR A 517 6.344 3.001 5.791 1.00 0.00 H new ATOM 0 HA THR A 517 7.922 2.878 8.322 1.00 0.00 H new ATOM 0 HB THR A 517 7.220 5.447 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.537 6.003 5.872 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.440 5.997 7.294 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.564 4.624 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.600 4.341 6.662 1.00 0.00 H new ATOM 1400 N SER A 518 5.900 3.477 9.700 1.00 0.00 N ATOM 1401 CA SER A 518 4.699 3.406 10.515 1.00 0.00 C ATOM 1402 C SER A 518 4.242 4.815 10.898 1.00 0.00 C ATOM 1403 O SER A 518 4.699 5.370 11.896 1.00 0.00 O ATOM 1404 CB SER A 518 4.936 2.565 11.771 1.00 0.00 C ATOM 1405 OG SER A 518 4.851 1.168 11.502 1.00 0.00 O ATOM 0 H SER A 518 6.751 3.706 10.213 1.00 0.00 H new ATOM 0 HA SER A 518 3.916 2.924 9.930 1.00 0.00 H new ATOM 0 HB2 SER A 518 5.919 2.796 12.182 1.00 0.00 H new ATOM 0 HB3 SER A 518 4.202 2.833 12.531 1.00 0.00 H new ATOM 0 HG SER A 518 5.010 0.666 12.328 1.00 0.00 H new ATOM 1411 N GLY A 519 3.345 5.353 10.085 1.00 0.00 N ATOM 1412 CA GLY A 519 2.822 6.687 10.326 1.00 0.00 C ATOM 1413 C GLY A 519 2.933 7.555 9.070 1.00 0.00 C ATOM 1414 O GLY A 519 3.986 7.603 8.436 1.00 0.00 O ATOM 0 H GLY A 519 2.967 4.889 9.259 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.779 6.622 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.370 7.154 11.145 1.00 0.00 H new ATOM 1418 N ALA A 520 1.832 8.218 8.749 1.00 0.00 N ATOM 1419 CA ALA A 520 1.792 9.081 7.581 1.00 0.00 C ATOM 1420 C ALA A 520 2.855 10.173 7.723 1.00 0.00 C ATOM 1421 O ALA A 520 3.263 10.507 8.834 1.00 0.00 O ATOM 1422 CB ALA A 520 0.384 9.656 7.418 1.00 0.00 C ATOM 0 H ALA A 520 0.961 8.175 9.278 1.00 0.00 H new ATOM 0 HA ALA A 520 2.019 8.515 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.355 10.303 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.329 8.842 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 520 0.122 10.233 8.305 1.00 0.00 H new ATOM 1428 N PRO A 521 3.284 10.713 6.550 1.00 0.00 N ATOM 1429 CA PRO A 521 4.291 11.760 6.533 1.00 0.00 C ATOM 1430 C PRO A 521 3.697 13.100 6.973 1.00 0.00 C ATOM 1431 O PRO A 521 2.514 13.360 6.755 1.00 0.00 O ATOM 1432 CB PRO A 521 4.812 11.782 5.105 1.00 0.00 C ATOM 1433 CG PRO A 521 3.760 11.073 4.267 1.00 0.00 C ATOM 1434 CD PRO A 521 2.823 10.343 5.216 1.00 0.00 C ATOM 0 HA PRO A 521 5.103 11.574 7.236 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.962 12.805 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.775 11.276 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.207 11.791 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.230 10.370 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.787 10.643 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.869 9.264 5.066 1.00 0.00 H new