USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 700 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 464 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 506 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 476 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0.00044) USER MOD Set 2.2: A 497 SER OG : rot 161:sc=0.000441 USER MOD Set 3.1: A 496 TYR OH : rot 163:sc= 0.00563 USER MOD Set 3.2: A 505 TYR OH : rot 130:sc= -0.464 USER MOD Set 4.1: A 491 ASN :FLIP amide:sc= -0.753 F(o=-2.8!,f=-0.72) USER MOD Set 4.2: A 494 LYS NZ :NH3+ -153:sc= 0.0295 (180deg=0) USER MOD Set 5.1: A 485 ASN :FLIP amide:sc= -1.38 F(o=-4.4!,f=-1.4) USER MOD Set 5.2: A 487 ASN : amide:sc= -0.0205! K(o=-1.4!,f=-2.3) USER MOD Set 6.1: A 427 THR OG1 : rot 180:sc= -4.69! USER MOD Set 6.2: A 468 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 ASN : amide:sc= -1.29 X(o=-1.3,f=-0.84) USER MOD Single : A 425 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0127) USER MOD Single : A 429 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 430 TYR OH : rot 41:sc= -0.55! USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 LYS NZ :NH3+ 163:sc= 0.178 (180deg=0.0356) USER MOD Single : A 435 ASN : amide:sc= -5.65! C(o=-5.6!,f=-17!) USER MOD Single : A 436 SER OG : rot 59:sc= 0.0374 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -12.2! C(o=-12!,f=-13!) USER MOD Single : A 441 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 THR OG1 : rot -152:sc= 1.94 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -153:sc= -7.39 (180deg=-10.6!) USER MOD Single : A 457 GLN :FLIP amide:sc= -1.3 F(o=-3.7!,f=-1.3) USER MOD Single : A 462 SER OG : rot 71:sc= 1.02 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 473 SER OG : rot -36:sc= 0.00115 USER MOD Single : A 475 SER OG : rot 180:sc= 0 USER MOD Single : A 482 ASN : amide:sc= -10.3! C(o=-10!,f=-19!) USER MOD Single : A 486 ASN : amide:sc= -2.03! C(o=-2!,f=-2.4!) USER MOD Single : A 490 SER OG : rot -160:sc= -0.129 USER MOD Single : A 492 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.013) USER MOD Single : A 493 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 495 ASN : amide:sc= -9.62! C(o=-9.6!,f=-17!) USER MOD Single : A 499 SER OG : rot 180:sc= 0.0223 USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 503 SER OG : rot -120:sc= -1.22 USER MOD Single : A 504 THR OG1 : rot 115:sc= -0.732 USER MOD Single : A 509 ASN : amide:sc= 0.851 K(o=0.85,f=-0.93) USER MOD Single : A 510 SER OG : rot 180:sc= 0 USER MOD Single : A 512 ASN :FLIP amide:sc= -0.273 F(o=-1.5,f=-0.27) USER MOD Single : A 515 THR OG1 : rot 39:sc= 0.459 USER MOD Single : A 517 THR OG1 : rot -170:sc= -1.5! USER MOD Single : A 518 SER OG : rot 48:sc= 0.193 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 420 -11.825 -11.725 18.684 1.00 0.00 N ATOM 2 CA GLY A 420 -13.274 -11.656 18.766 1.00 0.00 C ATOM 3 C GLY A 420 -13.810 -10.451 17.990 1.00 0.00 C ATOM 4 O GLY A 420 -14.529 -10.612 17.006 1.00 0.00 O ATOM 0 HA2 GLY A 420 -13.709 -12.573 18.367 1.00 0.00 H new ATOM 0 HA3 GLY A 420 -13.580 -11.586 19.810 1.00 0.00 H new ATOM 8 N GLY A 421 -13.439 -9.270 18.463 1.00 0.00 N ATOM 9 CA GLY A 421 -13.873 -8.039 17.826 1.00 0.00 C ATOM 10 C GLY A 421 -13.683 -8.109 16.309 1.00 0.00 C ATOM 11 O GLY A 421 -13.137 -9.082 15.793 1.00 0.00 O ATOM 0 H GLY A 421 -12.843 -9.140 19.280 1.00 0.00 H new ATOM 0 HA2 GLY A 421 -14.923 -7.857 18.056 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -13.308 -7.198 18.228 1.00 0.00 H new ATOM 15 N THR A 422 -14.144 -7.063 15.638 1.00 0.00 N ATOM 16 CA THR A 422 -14.032 -6.994 14.191 1.00 0.00 C ATOM 17 C THR A 422 -14.341 -5.579 13.700 1.00 0.00 C ATOM 18 O THR A 422 -15.501 -5.175 13.649 1.00 0.00 O ATOM 19 CB THR A 422 -14.953 -8.060 13.594 1.00 0.00 C ATOM 20 OG1 THR A 422 -14.868 -7.844 12.188 1.00 0.00 O ATOM 21 CG2 THR A 422 -16.427 -7.809 13.921 1.00 0.00 C ATOM 0 H THR A 422 -14.596 -6.257 16.070 1.00 0.00 H new ATOM 0 HA THR A 422 -13.014 -7.203 13.862 1.00 0.00 H new ATOM 0 HB THR A 422 -14.661 -9.042 13.965 1.00 0.00 H new ATOM 0 HG1 THR A 422 -15.434 -8.494 11.722 1.00 0.00 H new ATOM 0 HG21 THR A 422 -17.038 -8.594 13.474 1.00 0.00 H new ATOM 0 HG22 THR A 422 -16.566 -7.813 15.002 1.00 0.00 H new ATOM 0 HG23 THR A 422 -16.729 -6.842 13.520 1.00 0.00 H new ATOM 29 N GLY A 423 -13.281 -4.864 13.349 1.00 0.00 N ATOM 30 CA GLY A 423 -13.425 -3.502 12.864 1.00 0.00 C ATOM 31 C GLY A 423 -12.105 -2.737 12.978 1.00 0.00 C ATOM 32 O GLY A 423 -11.903 -1.980 13.926 1.00 0.00 O ATOM 0 H GLY A 423 -12.320 -5.203 13.391 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -13.753 -3.515 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -14.198 -2.988 13.436 1.00 0.00 H new ATOM 36 N ASN A 424 -11.241 -2.962 12.000 1.00 0.00 N ATOM 37 CA ASN A 424 -9.945 -2.303 11.979 1.00 0.00 C ATOM 38 C ASN A 424 -9.785 -1.543 10.661 1.00 0.00 C ATOM 39 O ASN A 424 -10.427 -1.877 9.666 1.00 0.00 O ATOM 40 CB ASN A 424 -8.808 -3.322 12.079 1.00 0.00 C ATOM 41 CG ASN A 424 -8.613 -3.787 13.524 1.00 0.00 C ATOM 42 OD1 ASN A 424 -8.642 -4.967 13.832 1.00 0.00 O ATOM 43 ND2 ASN A 424 -8.414 -2.796 14.388 1.00 0.00 N ATOM 0 H ASN A 424 -11.412 -3.591 11.216 1.00 0.00 H new ATOM 0 HA ASN A 424 -9.897 -1.625 12.831 1.00 0.00 H new ATOM 0 HB2 ASN A 424 -9.027 -4.180 11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 424 -7.884 -2.879 11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 424 -8.274 -3.002 15.377 1.00 0.00 H new ATOM 0 HD22 ASN A 424 -8.402 -1.830 14.062 1.00 0.00 H new ATOM 50 N LYS A 425 -8.926 -0.536 10.697 1.00 0.00 N ATOM 51 CA LYS A 425 -8.674 0.275 9.517 1.00 0.00 C ATOM 52 C LYS A 425 -7.166 0.346 9.266 1.00 0.00 C ATOM 53 O LYS A 425 -6.382 0.481 10.204 1.00 0.00 O ATOM 54 CB LYS A 425 -9.339 1.645 9.656 1.00 0.00 C ATOM 55 CG LYS A 425 -9.247 2.435 8.349 1.00 0.00 C ATOM 56 CD LYS A 425 -10.631 2.631 7.727 1.00 0.00 C ATOM 57 CE LYS A 425 -11.232 3.976 8.140 1.00 0.00 C ATOM 58 NZ LYS A 425 -11.766 3.904 9.519 1.00 0.00 N ATOM 0 H LYS A 425 -8.395 -0.262 11.524 1.00 0.00 H new ATOM 0 HA LYS A 425 -9.124 -0.183 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 425 -10.385 1.519 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 425 -8.860 2.206 10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 425 -8.789 3.406 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 425 -8.600 1.909 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 425 -10.556 2.580 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 425 -11.292 1.822 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 425 -10.472 4.755 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 425 -12.029 4.252 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 425 -12.200 4.815 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 425 -12.482 3.152 9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 425 -10.991 3.695 10.181 1.00 0.00 H new ATOM 71 N VAL A 426 -6.805 0.252 7.994 1.00 0.00 N ATOM 72 CA VAL A 426 -5.406 0.304 7.608 1.00 0.00 C ATOM 73 C VAL A 426 -5.226 1.340 6.496 1.00 0.00 C ATOM 74 O VAL A 426 -5.935 1.306 5.491 1.00 0.00 O ATOM 75 CB VAL A 426 -4.921 -1.091 7.208 1.00 0.00 C ATOM 76 CG1 VAL A 426 -3.414 -1.093 6.946 1.00 0.00 C ATOM 77 CG2 VAL A 426 -5.294 -2.126 8.272 1.00 0.00 C ATOM 0 H VAL A 426 -7.458 0.140 7.218 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.790 0.619 8.450 1.00 0.00 H new ATOM 0 HB VAL A 426 -5.422 -1.368 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -3.095 -2.096 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -3.184 -0.398 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -2.887 -0.786 7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -4.938 -3.109 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -4.833 -1.854 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -6.377 -2.153 8.390 1.00 0.00 H new ATOM 87 N THR A 427 -4.275 2.236 6.714 1.00 0.00 N ATOM 88 CA THR A 427 -3.994 3.280 5.743 1.00 0.00 C ATOM 89 C THR A 427 -2.564 3.145 5.214 1.00 0.00 C ATOM 90 O THR A 427 -1.626 2.964 5.989 1.00 0.00 O ATOM 91 CB THR A 427 -4.271 4.630 6.407 1.00 0.00 C ATOM 92 OG1 THR A 427 -5.662 4.588 6.713 1.00 0.00 O ATOM 93 CG2 THR A 427 -4.139 5.801 5.431 1.00 0.00 C ATOM 0 H THR A 427 -3.689 2.261 7.549 1.00 0.00 H new ATOM 0 HA THR A 427 -4.640 3.192 4.870 1.00 0.00 H new ATOM 0 HB THR A 427 -3.582 4.772 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 427 -5.927 5.425 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.346 6.735 5.953 1.00 0.00 H new ATOM 0 HG22 THR A 427 -3.126 5.827 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 427 -4.851 5.676 4.615 1.00 0.00 H new ATOM 101 N ILE A 428 -2.443 3.240 3.898 1.00 0.00 N ATOM 102 CA ILE A 428 -1.144 3.130 3.257 1.00 0.00 C ATOM 103 C ILE A 428 -0.968 4.287 2.271 1.00 0.00 C ATOM 104 O ILE A 428 -1.768 4.452 1.352 1.00 0.00 O ATOM 105 CB ILE A 428 -0.976 1.749 2.620 1.00 0.00 C ATOM 106 CG1 ILE A 428 -0.583 0.706 3.668 1.00 0.00 C ATOM 107 CG2 ILE A 428 0.019 1.799 1.459 1.00 0.00 C ATOM 108 CD1 ILE A 428 -1.591 -0.444 3.701 1.00 0.00 C ATOM 0 H ILE A 428 -3.223 3.392 3.259 1.00 0.00 H new ATOM 0 HA ILE A 428 -0.346 3.214 3.995 1.00 0.00 H new ATOM 0 HB ILE A 428 -1.937 1.443 2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 428 0.411 0.317 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 428 -0.528 1.175 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 428 0.120 0.805 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 428 -0.342 2.493 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 428 0.989 2.135 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 428 -1.288 -1.172 4.454 1.00 0.00 H new ATOM 0 HD12 ILE A 428 -2.579 -0.055 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 428 -1.625 -0.926 2.724 1.00 0.00 H new ATOM 120 N TYR A 429 0.086 5.059 2.497 1.00 0.00 N ATOM 121 CA TYR A 429 0.377 6.196 1.640 1.00 0.00 C ATOM 122 C TYR A 429 1.669 5.972 0.852 1.00 0.00 C ATOM 123 O TYR A 429 2.750 5.897 1.433 1.00 0.00 O ATOM 124 CB TYR A 429 0.566 7.391 2.577 1.00 0.00 C ATOM 125 CG TYR A 429 -0.715 7.836 3.285 1.00 0.00 C ATOM 126 CD1 TYR A 429 -1.912 7.212 3.001 1.00 0.00 C ATOM 127 CD2 TYR A 429 -0.673 8.862 4.207 1.00 0.00 C ATOM 128 CE1 TYR A 429 -3.118 7.630 3.668 1.00 0.00 C ATOM 129 CE2 TYR A 429 -1.879 9.280 4.874 1.00 0.00 C ATOM 130 CZ TYR A 429 -3.042 8.644 4.571 1.00 0.00 C ATOM 131 OH TYR A 429 -4.181 9.039 5.200 1.00 0.00 O ATOM 0 H TYR A 429 0.748 4.919 3.260 1.00 0.00 H new ATOM 0 HA TYR A 429 -0.427 6.351 0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 429 1.314 7.136 3.328 1.00 0.00 H new ATOM 0 HB3 TYR A 429 0.962 8.229 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 429 -1.945 6.410 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 429 0.264 9.351 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 429 -4.061 7.149 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 429 -1.860 10.081 5.599 1.00 0.00 H new ATOM 0 HH TYR A 429 -3.976 9.771 5.818 1.00 0.00 H new ATOM 141 N TYR A 430 1.514 5.871 -0.460 1.00 0.00 N ATOM 142 CA TYR A 430 2.654 5.657 -1.335 1.00 0.00 C ATOM 143 C TYR A 430 2.976 6.920 -2.136 1.00 0.00 C ATOM 144 O TYR A 430 2.071 7.611 -2.601 1.00 0.00 O ATOM 145 CB TYR A 430 2.241 4.545 -2.301 1.00 0.00 C ATOM 146 CG TYR A 430 3.107 4.462 -3.560 1.00 0.00 C ATOM 147 CD1 TYR A 430 4.378 3.928 -3.490 1.00 0.00 C ATOM 148 CD2 TYR A 430 2.616 4.920 -4.766 1.00 0.00 C ATOM 149 CE1 TYR A 430 5.192 3.850 -4.675 1.00 0.00 C ATOM 150 CE2 TYR A 430 3.431 4.841 -5.951 1.00 0.00 C ATOM 151 CZ TYR A 430 4.678 4.310 -5.847 1.00 0.00 C ATOM 152 OH TYR A 430 5.448 4.236 -6.966 1.00 0.00 O ATOM 0 H TYR A 430 0.615 5.933 -0.938 1.00 0.00 H new ATOM 0 HA TYR A 430 3.540 5.399 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 430 2.284 3.589 -1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 430 1.203 4.700 -2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 430 4.762 3.569 -2.547 1.00 0.00 H new ATOM 0 HD2 TYR A 430 1.621 5.337 -4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 430 6.188 3.435 -4.634 1.00 0.00 H new ATOM 0 HE2 TYR A 430 3.060 5.196 -6.901 1.00 0.00 H new ATOM 0 HH TYR A 430 5.924 3.380 -6.979 1.00 0.00 H new ATOM 162 N LYS A 431 4.267 7.182 -2.274 1.00 0.00 N ATOM 163 CA LYS A 431 4.719 8.350 -3.011 1.00 0.00 C ATOM 164 C LYS A 431 4.278 8.228 -4.471 1.00 0.00 C ATOM 165 O LYS A 431 4.328 7.144 -5.050 1.00 0.00 O ATOM 166 CB LYS A 431 6.227 8.542 -2.838 1.00 0.00 C ATOM 167 CG LYS A 431 6.805 9.393 -3.971 1.00 0.00 C ATOM 168 CD LYS A 431 7.810 10.413 -3.432 1.00 0.00 C ATOM 169 CE LYS A 431 8.793 10.843 -4.523 1.00 0.00 C ATOM 170 NZ LYS A 431 9.687 11.911 -4.023 1.00 0.00 N ATOM 0 H LYS A 431 5.015 6.606 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 431 4.258 9.254 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 431 6.429 9.021 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 431 6.721 7.571 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 431 7.292 8.749 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 431 5.998 9.911 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 431 7.279 11.286 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.357 9.982 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 431 9.385 9.986 -4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 431 8.245 11.198 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 10.348 12.191 -4.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.119 12.734 -3.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 10.224 11.560 -3.204 1.00 0.00 H new ATOM 183 N LYS A 432 3.856 9.356 -5.025 1.00 0.00 N ATOM 184 CA LYS A 432 3.406 9.389 -6.406 1.00 0.00 C ATOM 185 C LYS A 432 4.622 9.348 -7.335 1.00 0.00 C ATOM 186 O LYS A 432 5.328 10.345 -7.482 1.00 0.00 O ATOM 187 CB LYS A 432 2.491 10.591 -6.643 1.00 0.00 C ATOM 188 CG LYS A 432 1.492 10.307 -7.766 1.00 0.00 C ATOM 189 CD LYS A 432 0.322 11.293 -7.721 1.00 0.00 C ATOM 190 CE LYS A 432 -0.743 10.836 -6.723 1.00 0.00 C ATOM 191 NZ LYS A 432 -1.993 10.475 -7.427 1.00 0.00 N ATOM 0 H LYS A 432 3.816 10.254 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 432 2.802 8.510 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 432 1.954 10.830 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 432 3.091 11.465 -6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 432 1.994 10.377 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 432 1.117 9.288 -7.675 1.00 0.00 H new ATOM 0 HD2 LYS A 432 0.686 12.282 -7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 432 -0.120 11.384 -8.713 1.00 0.00 H new ATOM 0 HE2 LYS A 432 -0.376 9.979 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 432 -0.940 11.631 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 432 -2.594 9.907 -6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 432 -2.500 11.341 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 432 -1.765 9.923 -8.279 1.00 0.00 H new ATOM 204 N GLY A 433 4.828 8.186 -7.937 1.00 0.00 N ATOM 205 CA GLY A 433 5.946 8.003 -8.847 1.00 0.00 C ATOM 206 C GLY A 433 5.462 7.546 -10.224 1.00 0.00 C ATOM 207 O GLY A 433 6.259 7.106 -11.051 1.00 0.00 O ATOM 0 H GLY A 433 4.240 7.362 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 433 6.498 8.938 -8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 433 6.636 7.266 -8.437 1.00 0.00 H new ATOM 211 N PHE A 434 4.159 7.665 -10.428 1.00 0.00 N ATOM 212 CA PHE A 434 3.559 7.269 -11.691 1.00 0.00 C ATOM 213 C PHE A 434 2.385 8.182 -12.051 1.00 0.00 C ATOM 214 O PHE A 434 2.433 8.894 -13.052 1.00 0.00 O ATOM 215 CB PHE A 434 3.042 5.840 -11.512 1.00 0.00 C ATOM 216 CG PHE A 434 4.115 4.763 -11.686 1.00 0.00 C ATOM 217 CD1 PHE A 434 4.956 4.468 -10.659 1.00 0.00 C ATOM 218 CD2 PHE A 434 4.228 4.101 -12.869 1.00 0.00 C ATOM 219 CE1 PHE A 434 5.952 3.469 -10.821 1.00 0.00 C ATOM 220 CE2 PHE A 434 5.224 3.102 -13.031 1.00 0.00 C ATOM 221 CZ PHE A 434 6.065 2.807 -12.003 1.00 0.00 C ATOM 0 H PHE A 434 3.501 8.030 -9.740 1.00 0.00 H new ATOM 0 HA PHE A 434 4.296 7.338 -12.491 1.00 0.00 H new ATOM 0 HB2 PHE A 434 2.604 5.745 -10.518 1.00 0.00 H new ATOM 0 HB3 PHE A 434 2.242 5.661 -12.231 1.00 0.00 H new ATOM 0 HD1 PHE A 434 4.866 4.994 -9.720 1.00 0.00 H new ATOM 0 HD2 PHE A 434 3.560 4.335 -13.685 1.00 0.00 H new ATOM 0 HE1 PHE A 434 6.620 3.235 -10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 434 5.314 2.576 -13.970 1.00 0.00 H new ATOM 0 HZ PHE A 434 6.822 2.047 -12.126 1.00 0.00 H new ATOM 231 N ASN A 435 1.359 8.130 -11.215 1.00 0.00 N ATOM 232 CA ASN A 435 0.175 8.944 -11.433 1.00 0.00 C ATOM 233 C ASN A 435 -1.054 8.200 -10.905 1.00 0.00 C ATOM 234 O ASN A 435 -1.806 8.735 -10.092 1.00 0.00 O ATOM 235 CB ASN A 435 -0.041 9.214 -12.923 1.00 0.00 C ATOM 236 CG ASN A 435 0.168 7.942 -13.747 1.00 0.00 C ATOM 237 OD1 ASN A 435 0.498 6.886 -13.233 1.00 0.00 O ATOM 238 ND2 ASN A 435 -0.043 8.101 -15.050 1.00 0.00 N ATOM 0 H ASN A 435 1.323 7.537 -10.386 1.00 0.00 H new ATOM 0 HA ASN A 435 0.316 9.891 -10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 435 -1.049 9.595 -13.085 1.00 0.00 H new ATOM 0 HB3 ASN A 435 0.649 9.987 -13.260 1.00 0.00 H new ATOM 0 HD21 ASN A 435 0.070 7.311 -15.685 1.00 0.00 H new ATOM 0 HD22 ASN A 435 -0.318 9.013 -15.415 1.00 0.00 H new ATOM 245 N SER A 436 -1.219 6.977 -11.388 1.00 0.00 N ATOM 246 CA SER A 436 -2.343 6.155 -10.975 1.00 0.00 C ATOM 247 C SER A 436 -1.880 4.716 -10.739 1.00 0.00 C ATOM 248 O SER A 436 -2.348 3.793 -11.404 1.00 0.00 O ATOM 249 CB SER A 436 -3.462 6.188 -12.019 1.00 0.00 C ATOM 250 OG SER A 436 -2.980 5.898 -13.328 1.00 0.00 O ATOM 0 H SER A 436 -0.593 6.536 -12.062 1.00 0.00 H new ATOM 0 HA SER A 436 -2.739 6.560 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 436 -4.232 5.466 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 436 -3.932 7.171 -12.015 1.00 0.00 H new ATOM 0 HG SER A 436 -2.563 5.011 -13.334 1.00 0.00 H new ATOM 256 N PRO A 437 -0.943 4.566 -9.766 1.00 0.00 N ATOM 257 CA PRO A 437 -0.411 3.255 -9.434 1.00 0.00 C ATOM 258 C PRO A 437 -1.426 2.440 -8.630 1.00 0.00 C ATOM 259 O PRO A 437 -2.188 2.995 -7.839 1.00 0.00 O ATOM 260 CB PRO A 437 0.870 3.534 -8.664 1.00 0.00 C ATOM 261 CG PRO A 437 0.768 4.975 -8.193 1.00 0.00 C ATOM 262 CD PRO A 437 -0.366 5.637 -8.958 1.00 0.00 C ATOM 0 HA PRO A 437 -0.206 2.648 -10.316 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.974 2.853 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 437 1.745 3.391 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.578 5.013 -7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 437 1.706 5.502 -8.370 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -1.105 6.064 -8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.000 6.451 -9.583 1.00 0.00 H new ATOM 270 N TYR A 438 -1.404 1.135 -8.860 1.00 0.00 N ATOM 271 CA TYR A 438 -2.313 0.238 -8.167 1.00 0.00 C ATOM 272 C TYR A 438 -1.657 -0.349 -6.916 1.00 0.00 C ATOM 273 O TYR A 438 -0.442 -0.543 -6.880 1.00 0.00 O ATOM 274 CB TYR A 438 -2.616 -0.896 -9.149 1.00 0.00 C ATOM 275 CG TYR A 438 -3.200 -0.425 -10.483 1.00 0.00 C ATOM 276 CD1 TYR A 438 -2.366 0.073 -11.464 1.00 0.00 C ATOM 277 CD2 TYR A 438 -4.560 -0.497 -10.704 1.00 0.00 C ATOM 278 CE1 TYR A 438 -2.916 0.516 -12.719 1.00 0.00 C ATOM 279 CE2 TYR A 438 -5.110 -0.054 -11.959 1.00 0.00 C ATOM 280 CZ TYR A 438 -4.261 0.431 -12.904 1.00 0.00 C ATOM 281 OH TYR A 438 -4.780 0.850 -14.089 1.00 0.00 O ATOM 0 H TYR A 438 -0.771 0.678 -9.516 1.00 0.00 H new ATOM 0 HA TYR A 438 -3.211 0.770 -7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 438 -1.698 -1.451 -9.342 1.00 0.00 H new ATOM 0 HB3 TYR A 438 -3.316 -1.590 -8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 438 -1.302 0.130 -11.290 1.00 0.00 H new ATOM 0 HD2 TYR A 438 -5.212 -0.886 -9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 438 -2.275 0.907 -13.496 1.00 0.00 H new ATOM 0 HE2 TYR A 438 -6.173 -0.106 -12.145 1.00 0.00 H new ATOM 0 HH TYR A 438 -5.753 0.730 -14.081 1.00 0.00 H new ATOM 291 N ILE A 439 -2.489 -0.615 -5.920 1.00 0.00 N ATOM 292 CA ILE A 439 -2.004 -1.176 -4.670 1.00 0.00 C ATOM 293 C ILE A 439 -2.878 -2.369 -4.279 1.00 0.00 C ATOM 294 O ILE A 439 -4.082 -2.222 -4.077 1.00 0.00 O ATOM 295 CB ILE A 439 -1.925 -0.093 -3.592 1.00 0.00 C ATOM 296 CG1 ILE A 439 -0.971 -0.505 -2.469 1.00 0.00 C ATOM 297 CG2 ILE A 439 -3.317 0.257 -3.062 1.00 0.00 C ATOM 298 CD1 ILE A 439 -1.544 -1.673 -1.664 1.00 0.00 C ATOM 0 H ILE A 439 -3.495 -0.453 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 439 -0.987 -1.550 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 439 -1.517 0.810 -4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 439 -0.007 -0.788 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 439 -0.793 0.344 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 439 -3.232 1.029 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 439 -3.936 0.624 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 439 -3.776 -0.632 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 439 -0.846 -1.946 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 439 -2.496 -1.378 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 439 -1.698 -2.528 -2.323 1.00 0.00 H new ATOM 310 N HIS A 440 -2.237 -3.525 -4.183 1.00 0.00 N ATOM 311 CA HIS A 440 -2.941 -4.743 -3.820 1.00 0.00 C ATOM 312 C HIS A 440 -2.852 -4.956 -2.308 1.00 0.00 C ATOM 313 O HIS A 440 -1.759 -4.972 -1.743 1.00 0.00 O ATOM 314 CB HIS A 440 -2.410 -5.936 -4.619 1.00 0.00 C ATOM 315 CG HIS A 440 -3.358 -7.110 -4.671 1.00 0.00 C ATOM 316 ND1 HIS A 440 -4.733 -6.963 -4.714 1.00 0.00 N ATOM 317 CD2 HIS A 440 -3.114 -8.452 -4.688 1.00 0.00 C ATOM 318 CE1 HIS A 440 -5.282 -8.168 -4.754 1.00 0.00 C ATOM 319 NE2 HIS A 440 -4.277 -9.090 -4.737 1.00 0.00 N ATOM 0 H HIS A 440 -1.238 -3.644 -4.350 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.996 -4.648 -4.077 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.194 -5.611 -5.637 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -1.467 -6.263 -4.181 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.139 -8.917 -4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -6.340 -8.383 -4.793 1.00 0.00 H new ATOM 0 HE2 HIS A 440 -4.399 -10.102 -4.758 1.00 0.00 H new ATOM 327 N TYR A 441 -4.016 -5.114 -1.695 1.00 0.00 N ATOM 328 CA TYR A 441 -4.083 -5.325 -0.259 1.00 0.00 C ATOM 329 C TYR A 441 -5.037 -6.472 0.082 1.00 0.00 C ATOM 330 O TYR A 441 -5.968 -6.754 -0.669 1.00 0.00 O ATOM 331 CB TYR A 441 -4.635 -4.026 0.332 1.00 0.00 C ATOM 332 CG TYR A 441 -6.080 -3.724 -0.069 1.00 0.00 C ATOM 333 CD1 TYR A 441 -7.112 -4.480 0.449 1.00 0.00 C ATOM 334 CD2 TYR A 441 -6.352 -2.696 -0.948 1.00 0.00 C ATOM 335 CE1 TYR A 441 -8.472 -4.196 0.072 1.00 0.00 C ATOM 336 CE2 TYR A 441 -7.712 -2.412 -1.325 1.00 0.00 C ATOM 337 CZ TYR A 441 -8.705 -3.176 -0.796 1.00 0.00 C ATOM 338 OH TYR A 441 -9.990 -2.908 -1.153 1.00 0.00 O ATOM 0 H TYR A 441 -4.920 -5.100 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 441 -3.101 -5.581 0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -4.574 -4.079 1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -4.001 -3.197 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 441 -6.899 -5.285 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 441 -5.545 -2.104 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 441 -9.289 -4.780 0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 441 -7.939 -1.610 -2.012 1.00 0.00 H new ATOM 0 HH TYR A 441 -10.005 -2.153 -1.778 1.00 0.00 H new ATOM 348 N ARG A 442 -4.770 -7.102 1.217 1.00 0.00 N ATOM 349 CA ARG A 442 -5.593 -8.212 1.667 1.00 0.00 C ATOM 350 C ARG A 442 -5.478 -8.377 3.184 1.00 0.00 C ATOM 351 O ARG A 442 -4.376 -8.491 3.718 1.00 0.00 O ATOM 352 CB ARG A 442 -5.176 -9.518 0.987 1.00 0.00 C ATOM 353 CG ARG A 442 -5.571 -10.728 1.835 1.00 0.00 C ATOM 354 CD ARG A 442 -5.124 -12.032 1.171 1.00 0.00 C ATOM 355 NE ARG A 442 -4.307 -12.827 2.115 1.00 0.00 N ATOM 356 CZ ARG A 442 -3.755 -14.023 1.818 1.00 0.00 C ATOM 357 NH1 ARG A 442 -3.928 -14.572 0.597 1.00 0.00 N ATOM 358 NH2 ARG A 442 -3.044 -14.646 2.739 1.00 0.00 N ATOM 0 H ARG A 442 -3.996 -6.865 1.838 1.00 0.00 H new ATOM 0 HA ARG A 442 -6.626 -7.989 1.399 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.646 -9.588 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -4.098 -9.520 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -5.120 -10.646 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.652 -10.740 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -5.995 -12.607 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -4.547 -11.813 0.273 1.00 0.00 H new ATOM 0 HE ARG A 442 -4.151 -12.447 3.049 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -4.479 -14.083 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -3.508 -15.476 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -2.918 -14.223 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.620 -15.550 2.531 1.00 0.00 H new ATOM 371 N PRO A 443 -6.662 -8.384 3.853 1.00 0.00 N ATOM 372 CA PRO A 443 -6.705 -8.532 5.297 1.00 0.00 C ATOM 373 C PRO A 443 -6.425 -9.979 5.708 1.00 0.00 C ATOM 374 O PRO A 443 -6.976 -10.912 5.125 1.00 0.00 O ATOM 375 CB PRO A 443 -8.092 -8.058 5.701 1.00 0.00 C ATOM 376 CG PRO A 443 -8.932 -8.101 4.434 1.00 0.00 C ATOM 377 CD PRO A 443 -7.987 -8.251 3.253 1.00 0.00 C ATOM 0 HA PRO A 443 -5.936 -7.947 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 443 -8.515 -8.701 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 443 -8.056 -7.049 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 443 -9.634 -8.934 4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 443 -9.523 -7.190 4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 443 -8.239 -9.125 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 443 -8.038 -7.385 2.593 1.00 0.00 H new ATOM 385 N ALA A 444 -5.570 -10.121 6.710 1.00 0.00 N ATOM 386 CA ALA A 444 -5.210 -11.439 7.206 1.00 0.00 C ATOM 387 C ALA A 444 -6.482 -12.212 7.558 1.00 0.00 C ATOM 388 O ALA A 444 -7.060 -12.009 8.625 1.00 0.00 O ATOM 389 CB ALA A 444 -4.265 -11.294 8.400 1.00 0.00 C ATOM 0 H ALA A 444 -5.116 -9.345 7.192 1.00 0.00 H new ATOM 0 HA ALA A 444 -4.682 -12.007 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 444 -3.995 -12.282 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 444 -3.364 -10.765 8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 444 -4.762 -10.732 9.191 1.00 0.00 H new ATOM 395 N GLY A 445 -6.881 -13.081 6.642 1.00 0.00 N ATOM 396 CA GLY A 445 -8.075 -13.885 6.843 1.00 0.00 C ATOM 397 C GLY A 445 -9.194 -13.451 5.894 1.00 0.00 C ATOM 398 O GLY A 445 -10.303 -13.980 5.953 1.00 0.00 O ATOM 0 H GLY A 445 -6.399 -13.246 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.841 -14.937 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -8.412 -13.791 7.875 1.00 0.00 H new ATOM 402 N GLY A 446 -8.865 -12.492 5.041 1.00 0.00 N ATOM 403 CA GLY A 446 -9.829 -11.980 4.082 1.00 0.00 C ATOM 404 C GLY A 446 -9.504 -12.465 2.667 1.00 0.00 C ATOM 405 O GLY A 446 -8.958 -13.553 2.490 1.00 0.00 O ATOM 0 H GLY A 446 -7.944 -12.056 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 446 -10.832 -12.304 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 446 -9.828 -10.890 4.106 1.00 0.00 H new ATOM 409 N SER A 447 -9.853 -11.634 1.696 1.00 0.00 N ATOM 410 CA SER A 447 -9.606 -11.964 0.303 1.00 0.00 C ATOM 411 C SER A 447 -8.864 -10.816 -0.383 1.00 0.00 C ATOM 412 O SER A 447 -8.919 -9.675 0.074 1.00 0.00 O ATOM 413 CB SER A 447 -10.914 -12.265 -0.432 1.00 0.00 C ATOM 414 OG SER A 447 -12.055 -12.006 0.381 1.00 0.00 O ATOM 0 H SER A 447 -10.305 -10.732 1.847 1.00 0.00 H new ATOM 0 HA SER A 447 -8.987 -12.860 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 447 -10.969 -11.660 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 447 -10.922 -13.309 -0.746 1.00 0.00 H new ATOM 0 HG SER A 447 -12.870 -12.209 -0.125 1.00 0.00 H new ATOM 420 N TRP A 448 -8.188 -11.156 -1.470 1.00 0.00 N ATOM 421 CA TRP A 448 -7.436 -10.168 -2.224 1.00 0.00 C ATOM 422 C TRP A 448 -8.435 -9.288 -2.978 1.00 0.00 C ATOM 423 O TRP A 448 -9.564 -9.703 -3.234 1.00 0.00 O ATOM 424 CB TRP A 448 -6.417 -10.840 -3.146 1.00 0.00 C ATOM 425 CG TRP A 448 -5.091 -11.183 -2.464 1.00 0.00 C ATOM 426 CD1 TRP A 448 -4.591 -12.397 -2.195 1.00 0.00 C ATOM 427 CD2 TRP A 448 -4.109 -10.245 -1.973 1.00 0.00 C ATOM 428 NE1 TRP A 448 -3.365 -12.311 -1.568 1.00 0.00 N ATOM 429 CE2 TRP A 448 -3.062 -10.961 -1.430 1.00 0.00 C ATOM 430 CE3 TRP A 448 -4.107 -8.840 -1.988 1.00 0.00 C ATOM 431 CZ2 TRP A 448 -1.935 -10.357 -0.860 1.00 0.00 C ATOM 432 CZ3 TRP A 448 -2.973 -8.251 -1.415 1.00 0.00 C ATOM 433 CH2 TRP A 448 -1.910 -8.957 -0.864 1.00 0.00 C ATOM 0 H TRP A 448 -8.145 -12.103 -1.847 1.00 0.00 H new ATOM 0 HA TRP A 448 -6.851 -9.537 -1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 448 -6.854 -11.754 -3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 448 -6.219 -10.182 -3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 448 -5.086 -13.326 -2.438 1.00 0.00 H new ATOM 0 HE1 TRP A 448 -2.787 -13.094 -1.262 1.00 0.00 H new ATOM 0 HE3 TRP A 448 -4.916 -8.260 -2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 448 -1.128 -10.939 -0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 448 -2.921 -7.172 -1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 448 -1.069 -8.428 -0.441 1.00 0.00 H new ATOM 444 N THR A 449 -7.983 -8.088 -3.312 1.00 0.00 N ATOM 445 CA THR A 449 -8.823 -7.145 -4.031 1.00 0.00 C ATOM 446 C THR A 449 -8.777 -7.429 -5.534 1.00 0.00 C ATOM 447 O THR A 449 -8.179 -8.413 -5.966 1.00 0.00 O ATOM 448 CB THR A 449 -8.367 -5.731 -3.665 1.00 0.00 C ATOM 449 OG1 THR A 449 -7.964 -5.838 -2.303 1.00 0.00 O ATOM 450 CG2 THR A 449 -9.526 -4.732 -3.634 1.00 0.00 C ATOM 0 H THR A 449 -7.046 -7.747 -3.098 1.00 0.00 H new ATOM 0 HA THR A 449 -9.870 -7.248 -3.744 1.00 0.00 H new ATOM 0 HB THR A 449 -7.617 -5.395 -4.381 1.00 0.00 H new ATOM 0 HG1 THR A 449 -8.088 -4.975 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 449 -9.148 -3.744 -3.369 1.00 0.00 H new ATOM 0 HG22 THR A 449 -9.996 -4.689 -4.617 1.00 0.00 H new ATOM 0 HG23 THR A 449 -10.261 -5.050 -2.894 1.00 0.00 H new ATOM 458 N ALA A 450 -9.417 -6.548 -6.290 1.00 0.00 N ATOM 459 CA ALA A 450 -9.457 -6.691 -7.735 1.00 0.00 C ATOM 460 C ALA A 450 -8.115 -6.253 -8.324 1.00 0.00 C ATOM 461 O ALA A 450 -7.878 -5.062 -8.521 1.00 0.00 O ATOM 462 CB ALA A 450 -10.631 -5.886 -8.296 1.00 0.00 C ATOM 0 H ALA A 450 -9.912 -5.733 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 450 -9.614 -7.733 -8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 450 -10.661 -5.993 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 450 -11.563 -6.256 -7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 450 -10.507 -4.834 -8.039 1.00 0.00 H new ATOM 468 N ALA A 451 -7.271 -7.239 -8.589 1.00 0.00 N ATOM 469 CA ALA A 451 -5.958 -6.971 -9.152 1.00 0.00 C ATOM 470 C ALA A 451 -6.121 -6.320 -10.527 1.00 0.00 C ATOM 471 O ALA A 451 -6.967 -6.734 -11.318 1.00 0.00 O ATOM 472 CB ALA A 451 -5.153 -8.270 -9.213 1.00 0.00 C ATOM 0 H ALA A 451 -7.471 -8.226 -8.424 1.00 0.00 H new ATOM 0 HA ALA A 451 -5.405 -6.275 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 451 -4.169 -8.068 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 451 -5.040 -8.676 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 451 -5.676 -8.993 -9.840 1.00 0.00 H new ATOM 478 N PRO A 452 -5.275 -5.284 -10.777 1.00 0.00 N ATOM 479 CA PRO A 452 -4.303 -4.857 -9.786 1.00 0.00 C ATOM 480 C PRO A 452 -4.978 -4.078 -8.655 1.00 0.00 C ATOM 481 O PRO A 452 -5.588 -3.037 -8.892 1.00 0.00 O ATOM 482 CB PRO A 452 -3.292 -4.025 -10.559 1.00 0.00 C ATOM 483 CG PRO A 452 -3.982 -3.631 -11.855 1.00 0.00 C ATOM 484 CD PRO A 452 -5.223 -4.496 -12.004 1.00 0.00 C ATOM 0 HA PRO A 452 -3.813 -5.695 -9.290 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -2.995 -3.144 -9.991 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -2.385 -4.597 -10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -4.252 -2.575 -11.838 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -3.312 -3.775 -12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -6.119 -3.886 -12.121 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -5.156 -5.137 -12.883 1.00 0.00 H new ATOM 492 N GLY A 453 -4.846 -4.613 -7.450 1.00 0.00 N ATOM 493 CA GLY A 453 -5.436 -3.981 -6.282 1.00 0.00 C ATOM 494 C GLY A 453 -6.342 -2.817 -6.687 1.00 0.00 C ATOM 495 O GLY A 453 -7.238 -2.981 -7.513 1.00 0.00 O ATOM 0 H GLY A 453 -4.339 -5.477 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -6.012 -4.715 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -4.647 -3.620 -5.622 1.00 0.00 H new ATOM 499 N VAL A 454 -6.076 -1.665 -6.088 1.00 0.00 N ATOM 500 CA VAL A 454 -6.856 -0.474 -6.375 1.00 0.00 C ATOM 501 C VAL A 454 -5.911 0.709 -6.594 1.00 0.00 C ATOM 502 O VAL A 454 -4.818 0.748 -6.030 1.00 0.00 O ATOM 503 CB VAL A 454 -7.871 -0.230 -5.257 1.00 0.00 C ATOM 504 CG1 VAL A 454 -7.171 0.211 -3.969 1.00 0.00 C ATOM 505 CG2 VAL A 454 -8.924 0.793 -5.686 1.00 0.00 C ATOM 0 H VAL A 454 -5.330 -1.532 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.430 -0.606 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 454 -8.382 -1.172 -5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -7.915 0.378 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -6.477 -0.566 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -6.622 1.135 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -9.633 0.948 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -8.437 1.738 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -9.454 0.423 -6.564 1.00 0.00 H new ATOM 515 N LYS A 455 -6.365 1.645 -7.414 1.00 0.00 N ATOM 516 CA LYS A 455 -5.573 2.826 -7.715 1.00 0.00 C ATOM 517 C LYS A 455 -5.501 3.716 -6.472 1.00 0.00 C ATOM 518 O LYS A 455 -6.504 4.298 -6.063 1.00 0.00 O ATOM 519 CB LYS A 455 -6.123 3.539 -8.951 1.00 0.00 C ATOM 520 CG LYS A 455 -5.389 4.860 -9.194 1.00 0.00 C ATOM 521 CD LYS A 455 -6.349 5.933 -9.711 1.00 0.00 C ATOM 522 CE LYS A 455 -6.788 5.631 -11.145 1.00 0.00 C ATOM 523 NZ LYS A 455 -8.219 5.961 -11.330 1.00 0.00 N ATOM 0 H LYS A 455 -7.272 1.610 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 455 -4.550 2.545 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -6.018 2.895 -9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -7.188 3.729 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -4.925 5.198 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -4.586 4.707 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -7.224 5.986 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -5.864 6.909 -9.673 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -6.183 6.206 -11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -6.620 4.578 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -8.500 5.750 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -8.794 5.394 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -8.370 6.972 -11.137 1.00 0.00 H new ATOM 536 N MET A 456 -4.305 3.793 -5.907 1.00 0.00 N ATOM 537 CA MET A 456 -4.089 4.602 -4.720 1.00 0.00 C ATOM 538 C MET A 456 -4.631 6.019 -4.916 1.00 0.00 C ATOM 539 O MET A 456 -4.287 6.690 -5.887 1.00 0.00 O ATOM 540 CB MET A 456 -2.592 4.666 -4.411 1.00 0.00 C ATOM 541 CG MET A 456 -2.111 3.367 -3.760 1.00 0.00 C ATOM 542 SD MET A 456 -0.368 3.139 -4.070 1.00 0.00 S ATOM 543 CE MET A 456 -0.426 2.565 -5.759 1.00 0.00 C ATOM 0 H MET A 456 -3.475 3.308 -6.250 1.00 0.00 H new ATOM 0 HA MET A 456 -4.621 4.142 -3.888 1.00 0.00 H new ATOM 0 HB2 MET A 456 -2.034 4.844 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 456 -2.390 5.506 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 456 -2.297 3.398 -2.686 1.00 0.00 H new ATOM 0 HG3 MET A 456 -2.673 2.522 -4.157 1.00 0.00 H new ATOM 0 HE1 MET A 456 0.444 1.941 -5.961 1.00 0.00 H new ATOM 0 HE2 MET A 456 -1.334 1.983 -5.914 1.00 0.00 H new ATOM 0 HE3 MET A 456 -0.424 3.421 -6.434 1.00 0.00 H new ATOM 553 N GLN A 457 -5.470 6.433 -3.977 1.00 0.00 N ATOM 554 CA GLN A 457 -6.064 7.758 -4.035 1.00 0.00 C ATOM 555 C GLN A 457 -4.973 8.822 -4.167 1.00 0.00 C ATOM 556 O GLN A 457 -3.785 8.510 -4.106 1.00 0.00 O ATOM 557 CB GLN A 457 -6.940 8.020 -2.808 1.00 0.00 C ATOM 558 CG GLN A 457 -7.888 6.847 -2.552 1.00 0.00 C ATOM 559 CD GLN A 457 -8.558 6.389 -3.849 1.00 0.00 C ATOM 560 OE1 GLN A 457 -8.036 5.279 -4.364 1.00 0.00 O flip ATOM 561 NE2 GLN A 457 -9.487 7.002 -4.349 1.00 0.00 N flip ATOM 0 H GLN A 457 -5.752 5.874 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 457 -6.704 7.810 -4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 457 -6.309 8.180 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 457 -7.517 8.933 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 457 -7.335 6.017 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 457 -8.649 7.141 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 457 -9.840 7.848 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 457 -9.911 6.669 -5.215 1.00 0.00 H new ATOM 570 N ASP A 458 -5.416 10.059 -4.345 1.00 0.00 N ATOM 571 CA ASP A 458 -4.492 11.171 -4.486 1.00 0.00 C ATOM 572 C ASP A 458 -4.178 11.747 -3.104 1.00 0.00 C ATOM 573 O ASP A 458 -5.084 11.997 -2.311 1.00 0.00 O ATOM 574 CB ASP A 458 -5.101 12.288 -5.336 1.00 0.00 C ATOM 575 CG ASP A 458 -6.349 11.892 -6.127 1.00 0.00 C ATOM 576 OD1 ASP A 458 -7.484 12.169 -5.710 1.00 0.00 O ATOM 577 OD2 ASP A 458 -6.119 11.263 -7.229 1.00 0.00 O ATOM 0 H ASP A 458 -6.402 10.315 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 458 -3.589 10.799 -4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 458 -5.353 13.124 -4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 458 -4.345 12.646 -6.035 1.00 0.00 H new ATOM 583 N ALA A 459 -2.890 11.939 -2.857 1.00 0.00 N ATOM 584 CA ALA A 459 -2.445 12.480 -1.584 1.00 0.00 C ATOM 585 C ALA A 459 -1.945 13.912 -1.790 1.00 0.00 C ATOM 586 O ALA A 459 -0.972 14.135 -2.508 1.00 0.00 O ATOM 587 CB ALA A 459 -1.372 11.567 -0.988 1.00 0.00 C ATOM 0 H ALA A 459 -2.141 11.730 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 459 -3.271 12.518 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 459 -1.038 11.973 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 459 -1.787 10.571 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 459 -0.525 11.506 -1.672 1.00 0.00 H new ATOM 593 N GLU A 460 -2.632 14.843 -1.145 1.00 0.00 N ATOM 594 CA GLU A 460 -2.270 16.246 -1.249 1.00 0.00 C ATOM 595 C GLU A 460 -0.919 16.497 -0.577 1.00 0.00 C ATOM 596 O GLU A 460 -0.262 17.500 -0.850 1.00 0.00 O ATOM 597 CB GLU A 460 -3.357 17.139 -0.646 1.00 0.00 C ATOM 598 CG GLU A 460 -3.347 17.058 0.882 1.00 0.00 C ATOM 599 CD GLU A 460 -4.503 17.863 1.481 1.00 0.00 C ATOM 600 OE1 GLU A 460 -5.605 17.324 1.661 1.00 0.00 O ATOM 601 OE2 GLU A 460 -4.224 19.090 1.762 1.00 0.00 O ATOM 0 H GLU A 460 -3.437 14.653 -0.548 1.00 0.00 H new ATOM 0 HA GLU A 460 -2.181 16.501 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.201 18.171 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -4.333 16.835 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -3.423 16.017 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.399 17.437 1.264 1.00 0.00 H new ATOM 609 N ILE A 461 -0.544 15.567 0.290 1.00 0.00 N ATOM 610 CA ILE A 461 0.717 15.675 1.004 1.00 0.00 C ATOM 611 C ILE A 461 1.723 16.440 0.141 1.00 0.00 C ATOM 612 O ILE A 461 2.412 17.334 0.630 1.00 0.00 O ATOM 613 CB ILE A 461 1.206 14.292 1.439 1.00 0.00 C ATOM 614 CG1 ILE A 461 0.674 13.934 2.828 1.00 0.00 C ATOM 615 CG2 ILE A 461 2.732 14.203 1.369 1.00 0.00 C ATOM 616 CD1 ILE A 461 0.037 12.543 2.829 1.00 0.00 C ATOM 0 H ILE A 461 -1.091 14.736 0.514 1.00 0.00 H new ATOM 0 HA ILE A 461 0.587 16.246 1.924 1.00 0.00 H new ATOM 0 HB ILE A 461 0.808 13.554 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 461 1.488 13.966 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 461 -0.061 14.675 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 461 3.053 13.210 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 461 3.060 14.384 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 461 3.171 14.952 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 461 -0.333 12.313 3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 461 -0.792 12.522 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 461 0.781 11.802 2.538 1.00 0.00 H new ATOM 628 N SER A 462 1.775 16.060 -1.128 1.00 0.00 N ATOM 629 CA SER A 462 2.686 16.699 -2.063 1.00 0.00 C ATOM 630 C SER A 462 3.026 15.736 -3.202 1.00 0.00 C ATOM 631 O SER A 462 4.193 15.411 -3.417 1.00 0.00 O ATOM 632 CB SER A 462 3.963 17.161 -1.359 1.00 0.00 C ATOM 633 OG SER A 462 3.865 18.508 -0.905 1.00 0.00 O ATOM 0 H SER A 462 1.202 15.318 -1.530 1.00 0.00 H new ATOM 0 HA SER A 462 2.192 17.579 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 462 4.167 16.507 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 462 4.807 17.069 -2.042 1.00 0.00 H new ATOM 0 HG SER A 462 3.246 18.553 -0.146 1.00 0.00 H new ATOM 639 N GLY A 463 1.986 15.307 -3.902 1.00 0.00 N ATOM 640 CA GLY A 463 2.160 14.387 -5.013 1.00 0.00 C ATOM 641 C GLY A 463 2.369 12.956 -4.514 1.00 0.00 C ATOM 642 O GLY A 463 3.334 12.296 -4.897 1.00 0.00 O ATOM 0 H GLY A 463 1.020 15.580 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 463 1.285 14.425 -5.662 1.00 0.00 H new ATOM 0 HA3 GLY A 463 3.016 14.695 -5.614 1.00 0.00 H new ATOM 646 N TYR A 464 1.450 12.519 -3.666 1.00 0.00 N ATOM 647 CA TYR A 464 1.521 11.179 -3.109 1.00 0.00 C ATOM 648 C TYR A 464 0.209 10.423 -3.329 1.00 0.00 C ATOM 649 O TYR A 464 -0.719 10.948 -3.942 1.00 0.00 O ATOM 650 CB TYR A 464 1.748 11.358 -1.607 1.00 0.00 C ATOM 651 CG TYR A 464 3.198 11.147 -1.167 1.00 0.00 C ATOM 652 CD1 TYR A 464 4.192 11.976 -1.648 1.00 0.00 C ATOM 653 CD2 TYR A 464 3.512 10.130 -0.289 1.00 0.00 C ATOM 654 CE1 TYR A 464 5.557 11.778 -1.233 1.00 0.00 C ATOM 655 CE2 TYR A 464 4.877 9.932 0.125 1.00 0.00 C ATOM 656 CZ TYR A 464 5.832 10.766 -0.367 1.00 0.00 C ATOM 657 OH TYR A 464 7.121 10.579 0.024 1.00 0.00 O ATOM 0 H TYR A 464 0.651 13.070 -3.351 1.00 0.00 H new ATOM 0 HA TYR A 464 2.316 10.607 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 464 1.434 12.362 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 464 1.110 10.658 -1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 464 3.946 12.772 -2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 464 2.734 9.482 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 464 6.344 12.419 -1.601 1.00 0.00 H new ATOM 0 HE2 TYR A 464 5.136 9.139 0.811 1.00 0.00 H new ATOM 0 HH TYR A 464 7.168 9.821 0.644 1.00 0.00 H new ATOM 667 N ALA A 465 0.174 9.202 -2.816 1.00 0.00 N ATOM 668 CA ALA A 465 -1.009 8.369 -2.949 1.00 0.00 C ATOM 669 C ALA A 465 -1.463 7.911 -1.562 1.00 0.00 C ATOM 670 O ALA A 465 -0.638 7.686 -0.677 1.00 0.00 O ATOM 671 CB ALA A 465 -0.704 7.193 -3.880 1.00 0.00 C ATOM 0 H ALA A 465 0.945 8.770 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 465 -1.828 8.934 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -1.592 6.568 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -0.414 7.571 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 465 0.111 6.601 -3.464 1.00 0.00 H new ATOM 677 N LYS A 466 -2.774 7.786 -1.414 1.00 0.00 N ATOM 678 CA LYS A 466 -3.348 7.360 -0.150 1.00 0.00 C ATOM 679 C LYS A 466 -4.339 6.222 -0.402 1.00 0.00 C ATOM 680 O LYS A 466 -5.041 6.218 -1.412 1.00 0.00 O ATOM 681 CB LYS A 466 -3.956 8.552 0.592 1.00 0.00 C ATOM 682 CG LYS A 466 -2.872 9.541 1.022 1.00 0.00 C ATOM 683 CD LYS A 466 -3.479 10.900 1.378 1.00 0.00 C ATOM 684 CE LYS A 466 -4.496 10.766 2.513 1.00 0.00 C ATOM 685 NZ LYS A 466 -5.269 12.018 2.668 1.00 0.00 N ATOM 0 H LYS A 466 -3.455 7.973 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.572 6.968 0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.678 9.055 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -4.500 8.200 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.332 9.143 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -2.146 9.662 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.688 11.589 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -3.963 11.327 0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -5.173 9.937 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -3.981 10.532 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -5.954 11.909 3.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -4.621 12.801 2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -5.776 12.225 1.784 1.00 0.00 H new ATOM 698 N ILE A 467 -4.364 5.284 0.533 1.00 0.00 N ATOM 699 CA ILE A 467 -5.257 4.143 0.424 1.00 0.00 C ATOM 700 C ILE A 467 -5.626 3.653 1.826 1.00 0.00 C ATOM 701 O ILE A 467 -4.752 3.456 2.669 1.00 0.00 O ATOM 702 CB ILE A 467 -4.638 3.060 -0.462 1.00 0.00 C ATOM 703 CG1 ILE A 467 -5.714 2.327 -1.265 1.00 0.00 C ATOM 704 CG2 ILE A 467 -3.784 2.097 0.366 1.00 0.00 C ATOM 705 CD1 ILE A 467 -6.285 3.225 -2.365 1.00 0.00 C ATOM 0 H ILE A 467 -3.780 5.291 1.369 1.00 0.00 H new ATOM 0 HA ILE A 467 -6.186 4.433 -0.068 1.00 0.00 H new ATOM 0 HB ILE A 467 -3.975 3.543 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.291 1.426 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -6.515 2.008 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -3.356 1.337 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -2.982 2.650 0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -4.406 1.617 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -7.048 2.679 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -6.729 4.113 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -5.485 3.523 -3.043 1.00 0.00 H new ATOM 717 N THR A 468 -6.922 3.472 2.033 1.00 0.00 N ATOM 718 CA THR A 468 -7.417 3.010 3.319 1.00 0.00 C ATOM 719 C THR A 468 -8.317 1.787 3.136 1.00 0.00 C ATOM 720 O THR A 468 -9.321 1.851 2.427 1.00 0.00 O ATOM 721 CB THR A 468 -8.119 4.184 4.005 1.00 0.00 C ATOM 722 OG1 THR A 468 -7.248 5.289 3.780 1.00 0.00 O ATOM 723 CG2 THR A 468 -8.151 4.038 5.528 1.00 0.00 C ATOM 0 H THR A 468 -7.644 3.637 1.332 1.00 0.00 H new ATOM 0 HA THR A 468 -6.601 2.680 3.962 1.00 0.00 H new ATOM 0 HB THR A 468 -9.138 4.269 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 468 -7.628 6.094 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 468 -8.660 4.897 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 468 -8.684 3.126 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 468 -7.131 3.987 5.910 1.00 0.00 H new ATOM 731 N VAL A 469 -7.926 0.701 3.787 1.00 0.00 N ATOM 732 CA VAL A 469 -8.685 -0.535 3.704 1.00 0.00 C ATOM 733 C VAL A 469 -8.890 -1.098 5.112 1.00 0.00 C ATOM 734 O VAL A 469 -7.969 -1.091 5.927 1.00 0.00 O ATOM 735 CB VAL A 469 -7.985 -1.517 2.764 1.00 0.00 C ATOM 736 CG1 VAL A 469 -8.926 -2.653 2.357 1.00 0.00 C ATOM 737 CG2 VAL A 469 -7.430 -0.797 1.533 1.00 0.00 C ATOM 0 H VAL A 469 -7.093 0.652 4.374 1.00 0.00 H new ATOM 0 HA VAL A 469 -9.672 -0.349 3.281 1.00 0.00 H new ATOM 0 HB VAL A 469 -7.145 -1.955 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 469 -8.403 -3.337 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 469 -9.251 -3.193 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 469 -9.795 -2.240 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 469 -6.937 -1.518 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 469 -8.247 -0.318 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 469 -6.710 -0.041 1.847 1.00 0.00 H new ATOM 747 N ASP A 470 -10.104 -1.572 5.355 1.00 0.00 N ATOM 748 CA ASP A 470 -10.441 -2.137 6.650 1.00 0.00 C ATOM 749 C ASP A 470 -9.970 -3.592 6.705 1.00 0.00 C ATOM 750 O ASP A 470 -9.983 -4.291 5.693 1.00 0.00 O ATOM 751 CB ASP A 470 -11.953 -2.120 6.881 1.00 0.00 C ATOM 752 CG ASP A 470 -12.423 -2.854 8.139 1.00 0.00 C ATOM 753 OD1 ASP A 470 -12.772 -2.228 9.151 1.00 0.00 O ATOM 754 OD2 ASP A 470 -12.423 -4.141 8.051 1.00 0.00 O ATOM 0 H ASP A 470 -10.866 -1.576 4.677 1.00 0.00 H new ATOM 0 HA ASP A 470 -9.952 -1.537 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -12.285 -1.083 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 470 -12.443 -2.565 6.015 1.00 0.00 H new ATOM 760 N ILE A 471 -9.566 -4.004 7.898 1.00 0.00 N ATOM 761 CA ILE A 471 -9.092 -5.363 8.098 1.00 0.00 C ATOM 762 C ILE A 471 -9.883 -6.013 9.235 1.00 0.00 C ATOM 763 O ILE A 471 -9.556 -7.114 9.673 1.00 0.00 O ATOM 764 CB ILE A 471 -7.578 -5.375 8.318 1.00 0.00 C ATOM 765 CG1 ILE A 471 -7.221 -4.834 9.704 1.00 0.00 C ATOM 766 CG2 ILE A 471 -6.855 -4.616 7.203 1.00 0.00 C ATOM 767 CD1 ILE A 471 -5.714 -4.921 9.955 1.00 0.00 C ATOM 0 H ILE A 471 -9.557 -3.421 8.735 1.00 0.00 H new ATOM 0 HA ILE A 471 -9.267 -5.962 7.204 1.00 0.00 H new ATOM 0 HB ILE A 471 -7.236 -6.409 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 471 -7.548 -3.798 9.789 1.00 0.00 H new ATOM 0 HG13 ILE A 471 -7.754 -5.400 10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 471 -5.780 -4.640 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 471 -7.072 -5.085 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 471 -7.197 -3.581 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 471 -5.487 -4.530 10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 471 -5.394 -5.961 9.893 1.00 0.00 H new ATOM 0 HD13 ILE A 471 -5.186 -4.334 9.204 1.00 0.00 H new ATOM 779 N GLY A 472 -10.910 -5.302 9.679 1.00 0.00 N ATOM 780 CA GLY A 472 -11.750 -5.796 10.757 1.00 0.00 C ATOM 781 C GLY A 472 -11.728 -7.325 10.814 1.00 0.00 C ATOM 782 O GLY A 472 -12.161 -7.991 9.875 1.00 0.00 O ATOM 0 H GLY A 472 -11.179 -4.389 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 472 -11.405 -5.388 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 472 -12.773 -5.449 10.614 1.00 0.00 H new ATOM 786 N SER A 473 -11.218 -7.836 11.925 1.00 0.00 N ATOM 787 CA SER A 473 -11.133 -9.274 12.116 1.00 0.00 C ATOM 788 C SER A 473 -9.700 -9.751 11.866 1.00 0.00 C ATOM 789 O SER A 473 -9.354 -10.885 12.195 1.00 0.00 O ATOM 790 CB SER A 473 -12.106 -10.011 11.194 1.00 0.00 C ATOM 791 OG SER A 473 -12.389 -11.328 11.660 1.00 0.00 O ATOM 0 H SER A 473 -10.860 -7.280 12.702 1.00 0.00 H new ATOM 0 HA SER A 473 -11.410 -9.499 13.146 1.00 0.00 H new ATOM 0 HB2 SER A 473 -13.035 -9.445 11.120 1.00 0.00 H new ATOM 0 HB3 SER A 473 -11.685 -10.064 10.190 1.00 0.00 H new ATOM 0 HG SER A 473 -11.581 -11.715 12.058 1.00 0.00 H new ATOM 797 N ALA A 474 -8.907 -8.862 11.287 1.00 0.00 N ATOM 798 CA ALA A 474 -7.521 -9.179 10.989 1.00 0.00 C ATOM 799 C ALA A 474 -6.606 -8.287 11.831 1.00 0.00 C ATOM 800 O ALA A 474 -6.780 -7.070 11.865 1.00 0.00 O ATOM 801 CB ALA A 474 -7.271 -9.017 9.488 1.00 0.00 C ATOM 0 H ALA A 474 -9.198 -7.923 11.016 1.00 0.00 H new ATOM 0 HA ALA A 474 -7.301 -10.215 11.247 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -6.231 -9.255 9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -7.924 -9.692 8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -7.479 -7.988 9.193 1.00 0.00 H new ATOM 807 N SER A 475 -5.652 -8.927 12.490 1.00 0.00 N ATOM 808 CA SER A 475 -4.710 -8.208 13.330 1.00 0.00 C ATOM 809 C SER A 475 -3.650 -7.525 12.463 1.00 0.00 C ATOM 810 O SER A 475 -2.888 -6.691 12.949 1.00 0.00 O ATOM 811 CB SER A 475 -4.046 -9.145 14.341 1.00 0.00 C ATOM 812 OG SER A 475 -4.501 -8.906 15.670 1.00 0.00 O ATOM 0 H SER A 475 -5.511 -9.937 12.459 1.00 0.00 H new ATOM 0 HA SER A 475 -5.259 -7.448 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 475 -4.254 -10.179 14.067 1.00 0.00 H new ATOM 0 HB3 SER A 475 -2.965 -9.015 14.299 1.00 0.00 H new ATOM 0 HG SER A 475 -4.055 -9.525 16.285 1.00 0.00 H new ATOM 818 N GLN A 476 -3.636 -7.905 11.194 1.00 0.00 N ATOM 819 CA GLN A 476 -2.682 -7.341 10.254 1.00 0.00 C ATOM 820 C GLN A 476 -3.228 -7.428 8.827 1.00 0.00 C ATOM 821 O GLN A 476 -4.142 -8.204 8.554 1.00 0.00 O ATOM 822 CB GLN A 476 -1.325 -8.037 10.366 1.00 0.00 C ATOM 823 CG GLN A 476 -0.388 -7.267 11.299 1.00 0.00 C ATOM 824 CD GLN A 476 1.071 -7.658 11.056 1.00 0.00 C ATOM 825 OE1 GLN A 476 1.239 -8.927 10.696 1.00 0.00 O flip ATOM 826 NE2 GLN A 476 1.984 -6.859 11.186 1.00 0.00 N flip ATOM 0 H GLN A 476 -4.270 -8.597 10.794 1.00 0.00 H new ATOM 0 HA GLN A 476 -2.535 -6.290 10.502 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.463 -9.052 10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.872 -8.120 9.378 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -0.512 -6.196 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -0.655 -7.470 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 476 1.785 -5.898 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 476 2.946 -7.152 11.015 1.00 0.00 H new ATOM 835 N LEU A 477 -2.644 -6.620 7.954 1.00 0.00 N ATOM 836 CA LEU A 477 -3.060 -6.596 6.562 1.00 0.00 C ATOM 837 C LEU A 477 -1.823 -6.663 5.664 1.00 0.00 C ATOM 838 O LEU A 477 -0.793 -6.066 5.974 1.00 0.00 O ATOM 839 CB LEU A 477 -3.952 -5.383 6.291 1.00 0.00 C ATOM 840 CG LEU A 477 -3.645 -4.596 5.015 1.00 0.00 C ATOM 841 CD1 LEU A 477 -2.246 -3.981 5.075 1.00 0.00 C ATOM 842 CD2 LEU A 477 -3.835 -5.469 3.773 1.00 0.00 C ATOM 0 H LEU A 477 -1.886 -5.977 8.184 1.00 0.00 H new ATOM 0 HA LEU A 477 -3.670 -7.469 6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -4.987 -5.721 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -3.876 -4.704 7.140 1.00 0.00 H new ATOM 0 HG LEU A 477 -4.356 -3.773 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -2.052 -3.427 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -2.182 -3.304 5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.505 -4.773 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -3.610 -4.885 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -3.164 -6.326 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -4.867 -5.818 3.728 1.00 0.00 H new ATOM 854 N GLU A 478 -1.967 -7.394 4.568 1.00 0.00 N ATOM 855 CA GLU A 478 -0.874 -7.547 3.622 1.00 0.00 C ATOM 856 C GLU A 478 -1.240 -6.908 2.281 1.00 0.00 C ATOM 857 O GLU A 478 -2.302 -7.188 1.725 1.00 0.00 O ATOM 858 CB GLU A 478 -0.504 -9.021 3.445 1.00 0.00 C ATOM 859 CG GLU A 478 0.965 -9.263 3.796 1.00 0.00 C ATOM 860 CD GLU A 478 1.158 -10.643 4.429 1.00 0.00 C ATOM 861 OE1 GLU A 478 1.516 -11.601 3.729 1.00 0.00 O ATOM 862 OE2 GLU A 478 0.923 -10.699 5.696 1.00 0.00 O ATOM 0 H GLU A 478 -2.823 -7.887 4.314 1.00 0.00 H new ATOM 0 HA GLU A 478 0.001 -7.033 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 478 -1.140 -9.638 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 478 -0.691 -9.325 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 478 1.575 -9.183 2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 478 1.310 -8.492 4.485 1.00 0.00 H new ATOM 870 N ALA A 479 -0.341 -6.064 1.798 1.00 0.00 N ATOM 871 CA ALA A 479 -0.556 -5.383 0.533 1.00 0.00 C ATOM 872 C ALA A 479 0.790 -5.174 -0.164 1.00 0.00 C ATOM 873 O ALA A 479 1.842 -5.279 0.465 1.00 0.00 O ATOM 874 CB ALA A 479 -1.296 -4.067 0.780 1.00 0.00 C ATOM 0 H ALA A 479 0.539 -5.836 2.260 1.00 0.00 H new ATOM 0 HA ALA A 479 -1.178 -5.987 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 479 -1.457 -3.556 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 479 -2.258 -4.273 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 479 -0.701 -3.433 1.437 1.00 0.00 H new ATOM 880 N ALA A 480 0.714 -4.881 -1.454 1.00 0.00 N ATOM 881 CA ALA A 480 1.913 -4.656 -2.243 1.00 0.00 C ATOM 882 C ALA A 480 1.691 -3.460 -3.171 1.00 0.00 C ATOM 883 O ALA A 480 0.565 -2.989 -3.323 1.00 0.00 O ATOM 884 CB ALA A 480 2.266 -5.932 -3.010 1.00 0.00 C ATOM 0 H ALA A 480 -0.160 -4.794 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 480 2.759 -4.419 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 480 3.166 -5.764 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 480 2.443 -6.744 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 480 1.441 -6.199 -3.671 1.00 0.00 H new ATOM 890 N PHE A 481 2.783 -3.004 -3.767 1.00 0.00 N ATOM 891 CA PHE A 481 2.721 -1.872 -4.675 1.00 0.00 C ATOM 892 C PHE A 481 2.953 -2.315 -6.121 1.00 0.00 C ATOM 893 O PHE A 481 3.733 -3.232 -6.375 1.00 0.00 O ATOM 894 CB PHE A 481 3.837 -0.908 -4.265 1.00 0.00 C ATOM 895 CG PHE A 481 4.282 0.039 -5.381 1.00 0.00 C ATOM 896 CD1 PHE A 481 3.357 0.751 -6.078 1.00 0.00 C ATOM 897 CD2 PHE A 481 5.604 0.169 -5.676 1.00 0.00 C ATOM 898 CE1 PHE A 481 3.771 1.631 -7.114 1.00 0.00 C ATOM 899 CE2 PHE A 481 6.017 1.048 -6.711 1.00 0.00 C ATOM 900 CZ PHE A 481 5.092 1.760 -7.408 1.00 0.00 C ATOM 0 H PHE A 481 3.715 -3.398 -3.639 1.00 0.00 H new ATOM 0 HA PHE A 481 1.738 -1.405 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 481 3.498 -0.317 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 481 4.697 -1.486 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 481 2.308 0.648 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 481 6.339 -0.397 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 481 3.037 2.197 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 481 7.066 1.151 -6.945 1.00 0.00 H new ATOM 0 HZ PHE A 481 5.407 2.428 -8.196 1.00 0.00 H new ATOM 910 N ASN A 482 2.261 -1.645 -7.030 1.00 0.00 N ATOM 911 CA ASN A 482 2.381 -1.959 -8.444 1.00 0.00 C ATOM 912 C ASN A 482 1.847 -0.787 -9.270 1.00 0.00 C ATOM 913 O ASN A 482 0.824 -0.197 -8.927 1.00 0.00 O ATOM 914 CB ASN A 482 1.564 -3.202 -8.803 1.00 0.00 C ATOM 915 CG ASN A 482 1.443 -4.144 -7.604 1.00 0.00 C ATOM 916 OD1 ASN A 482 2.329 -4.927 -7.305 1.00 0.00 O ATOM 917 ND2 ASN A 482 0.299 -4.025 -6.936 1.00 0.00 N ATOM 0 H ASN A 482 1.615 -0.886 -6.815 1.00 0.00 H new ATOM 0 HA ASN A 482 3.433 -2.144 -8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 482 0.570 -2.904 -9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 482 2.037 -3.725 -9.634 1.00 0.00 H new ATOM 0 HD21 ASN A 482 0.122 -4.610 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 482 -0.401 -3.349 -7.240 1.00 0.00 H new ATOM 924 N ASP A 483 2.564 -0.485 -10.342 1.00 0.00 N ATOM 925 CA ASP A 483 2.176 0.606 -11.219 1.00 0.00 C ATOM 926 C ASP A 483 1.064 0.130 -12.157 1.00 0.00 C ATOM 927 O ASP A 483 0.453 0.934 -12.860 1.00 0.00 O ATOM 928 CB ASP A 483 3.354 1.068 -12.079 1.00 0.00 C ATOM 929 CG ASP A 483 4.110 -0.053 -12.795 1.00 0.00 C ATOM 930 OD1 ASP A 483 3.874 -1.244 -12.545 1.00 0.00 O ATOM 931 OD2 ASP A 483 4.987 0.343 -13.654 1.00 0.00 O ATOM 0 H ASP A 483 3.412 -0.977 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 483 1.838 1.434 -10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 483 2.986 1.772 -12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 483 4.055 1.612 -11.446 1.00 0.00 H new ATOM 937 N GLY A 484 0.835 -1.175 -12.136 1.00 0.00 N ATOM 938 CA GLY A 484 -0.192 -1.767 -12.976 1.00 0.00 C ATOM 939 C GLY A 484 0.333 -2.017 -14.391 1.00 0.00 C ATOM 940 O GLY A 484 -0.294 -2.730 -15.173 1.00 0.00 O ATOM 0 H GLY A 484 1.343 -1.838 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 484 -0.528 -2.707 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 484 -1.058 -1.107 -13.017 1.00 0.00 H new ATOM 944 N ASN A 485 1.478 -1.416 -14.678 1.00 0.00 N ATOM 945 CA ASN A 485 2.095 -1.564 -15.985 1.00 0.00 C ATOM 946 C ASN A 485 2.790 -2.924 -16.065 1.00 0.00 C ATOM 947 O ASN A 485 2.875 -3.520 -17.138 1.00 0.00 O ATOM 948 CB ASN A 485 3.148 -0.480 -16.223 1.00 0.00 C ATOM 949 CG ASN A 485 4.148 -0.914 -17.296 1.00 0.00 C ATOM 950 OD1 ASN A 485 5.102 -1.726 -16.850 1.00 0.00 O flip ATOM 951 ND2 ASN A 485 4.060 -0.536 -18.453 1.00 0.00 N flip ATOM 0 H ASN A 485 1.995 -0.825 -14.027 1.00 0.00 H new ATOM 0 HA ASN A 485 1.312 -1.478 -16.739 1.00 0.00 H new ATOM 0 HB2 ASN A 485 2.660 0.445 -16.529 1.00 0.00 H new ATOM 0 HB3 ASN A 485 3.676 -0.270 -15.293 1.00 0.00 H new ATOM 0 HD21 ASN A 485 3.302 0.088 -18.729 1.00 0.00 H new ATOM 0 HD22 ASN A 485 4.744 -0.844 -19.144 1.00 0.00 H new ATOM 958 N ASN A 486 3.270 -3.377 -14.916 1.00 0.00 N ATOM 959 CA ASN A 486 3.955 -4.656 -14.843 1.00 0.00 C ATOM 960 C ASN A 486 4.952 -4.629 -13.683 1.00 0.00 C ATOM 961 O ASN A 486 5.397 -5.678 -13.218 1.00 0.00 O ATOM 962 CB ASN A 486 4.734 -4.938 -16.129 1.00 0.00 C ATOM 963 CG ASN A 486 3.978 -5.922 -17.023 1.00 0.00 C ATOM 964 OD1 ASN A 486 3.714 -5.668 -18.187 1.00 0.00 O ATOM 965 ND2 ASN A 486 3.645 -7.058 -16.417 1.00 0.00 N ATOM 0 H ASN A 486 3.198 -2.881 -14.028 1.00 0.00 H new ATOM 0 HA ASN A 486 3.204 -5.433 -14.699 1.00 0.00 H new ATOM 0 HB2 ASN A 486 4.902 -4.006 -16.669 1.00 0.00 H new ATOM 0 HB3 ASN A 486 5.715 -5.345 -15.883 1.00 0.00 H new ATOM 0 HD21 ASN A 486 3.138 -7.780 -16.929 1.00 0.00 H new ATOM 0 HD22 ASN A 486 3.897 -7.208 -15.440 1.00 0.00 H new ATOM 972 N ASN A 487 5.274 -3.420 -13.248 1.00 0.00 N ATOM 973 CA ASN A 487 6.211 -3.243 -12.152 1.00 0.00 C ATOM 974 C ASN A 487 5.469 -3.398 -10.823 1.00 0.00 C ATOM 975 O ASN A 487 4.622 -2.574 -10.481 1.00 0.00 O ATOM 976 CB ASN A 487 6.839 -1.848 -12.183 1.00 0.00 C ATOM 977 CG ASN A 487 7.571 -1.606 -13.504 1.00 0.00 C ATOM 978 OD1 ASN A 487 8.769 -1.801 -13.624 1.00 0.00 O ATOM 979 ND2 ASN A 487 6.786 -1.170 -14.485 1.00 0.00 N ATOM 0 H ASN A 487 4.902 -2.553 -13.635 1.00 0.00 H new ATOM 0 HA ASN A 487 6.995 -3.993 -12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 487 6.064 -1.093 -12.049 1.00 0.00 H new ATOM 0 HB3 ASN A 487 7.536 -1.740 -11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 487 7.180 -0.978 -15.406 1.00 0.00 H new ATOM 0 HD22 ASN A 487 5.790 -1.028 -14.316 1.00 0.00 H new ATOM 986 N TRP A 488 5.814 -4.460 -10.109 1.00 0.00 N ATOM 987 CA TRP A 488 5.190 -4.733 -8.825 1.00 0.00 C ATOM 988 C TRP A 488 6.257 -4.579 -7.739 1.00 0.00 C ATOM 989 O TRP A 488 7.442 -4.453 -8.042 1.00 0.00 O ATOM 990 CB TRP A 488 4.528 -6.112 -8.821 1.00 0.00 C ATOM 991 CG TRP A 488 3.283 -6.208 -9.705 1.00 0.00 C ATOM 992 CD1 TRP A 488 3.154 -5.851 -10.990 1.00 0.00 C ATOM 993 CD2 TRP A 488 1.987 -6.709 -9.314 1.00 0.00 C ATOM 994 NE1 TRP A 488 1.876 -6.085 -11.455 1.00 0.00 N ATOM 995 CE2 TRP A 488 1.143 -6.623 -10.403 1.00 0.00 C ATOM 996 CE3 TRP A 488 1.542 -7.218 -8.081 1.00 0.00 C ATOM 997 CZ2 TRP A 488 -0.196 -7.028 -10.369 1.00 0.00 C ATOM 998 CZ3 TRP A 488 0.201 -7.618 -8.063 1.00 0.00 C ATOM 999 CH2 TRP A 488 -0.661 -7.538 -9.151 1.00 0.00 C ATOM 0 H TRP A 488 6.517 -5.141 -10.395 1.00 0.00 H new ATOM 0 HA TRP A 488 4.387 -4.023 -8.627 1.00 0.00 H new ATOM 0 HB2 TRP A 488 5.255 -6.853 -9.153 1.00 0.00 H new ATOM 0 HB3 TRP A 488 4.255 -6.370 -7.798 1.00 0.00 H new ATOM 0 HD1 TRP A 488 3.951 -5.432 -11.587 1.00 0.00 H new ATOM 0 HE1 TRP A 488 1.532 -5.898 -12.397 1.00 0.00 H new ATOM 0 HE3 TRP A 488 2.184 -7.294 -7.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 488 -0.836 -6.951 -11.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 488 -0.192 -8.017 -7.139 1.00 0.00 H new ATOM 0 HH2 TRP A 488 -1.685 -7.868 -9.057 1.00 0.00 H new ATOM 1010 N ASP A 489 5.797 -4.594 -6.497 1.00 0.00 N ATOM 1011 CA ASP A 489 6.697 -4.457 -5.364 1.00 0.00 C ATOM 1012 C ASP A 489 6.123 -5.217 -4.167 1.00 0.00 C ATOM 1013 O ASP A 489 5.134 -4.792 -3.573 1.00 0.00 O ATOM 1014 CB ASP A 489 6.855 -2.989 -4.961 1.00 0.00 C ATOM 1015 CG ASP A 489 8.241 -2.395 -5.213 1.00 0.00 C ATOM 1016 OD1 ASP A 489 9.068 -2.291 -4.295 1.00 0.00 O ATOM 1017 OD2 ASP A 489 8.463 -2.024 -6.428 1.00 0.00 O ATOM 0 H ASP A 489 4.813 -4.699 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 489 7.668 -4.858 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 489 6.118 -2.397 -5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 489 6.622 -2.892 -3.901 1.00 0.00 H new ATOM 1023 N SER A 490 6.768 -6.330 -3.849 1.00 0.00 N ATOM 1024 CA SER A 490 6.334 -7.154 -2.734 1.00 0.00 C ATOM 1025 C SER A 490 7.519 -7.458 -1.815 1.00 0.00 C ATOM 1026 O SER A 490 8.642 -7.034 -2.084 1.00 0.00 O ATOM 1027 CB SER A 490 5.697 -8.455 -3.226 1.00 0.00 C ATOM 1028 OG SER A 490 6.573 -9.190 -4.076 1.00 0.00 O ATOM 0 H SER A 490 7.588 -6.680 -4.344 1.00 0.00 H new ATOM 0 HA SER A 490 5.580 -6.601 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 490 5.422 -9.071 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 490 4.777 -8.227 -3.764 1.00 0.00 H new ATOM 0 HG SER A 490 6.053 -9.823 -4.613 1.00 0.00 H new ATOM 1034 N ASN A 491 7.228 -8.189 -0.750 1.00 0.00 N ATOM 1035 CA ASN A 491 8.256 -8.554 0.211 1.00 0.00 C ATOM 1036 C ASN A 491 9.240 -9.525 -0.446 1.00 0.00 C ATOM 1037 O ASN A 491 9.430 -10.641 0.035 1.00 0.00 O ATOM 1038 CB ASN A 491 7.648 -9.250 1.430 1.00 0.00 C ATOM 1039 CG ASN A 491 8.715 -9.529 2.491 1.00 0.00 C ATOM 1040 OD1 ASN A 491 9.108 -10.799 2.542 1.00 0.00 O flip ATOM 1041 ND2 ASN A 491 9.152 -8.650 3.215 1.00 0.00 N flip ATOM 0 H ASN A 491 6.295 -8.539 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 491 8.759 -7.641 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 491 6.862 -8.626 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 491 7.181 -10.186 1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 491 8.806 -7.695 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 491 9.863 -8.870 3.912 1.00 0.00 H new ATOM 1048 N ASN A 492 9.839 -9.064 -1.534 1.00 0.00 N ATOM 1049 CA ASN A 492 10.798 -9.878 -2.261 1.00 0.00 C ATOM 1050 C ASN A 492 10.061 -10.709 -3.314 1.00 0.00 C ATOM 1051 O ASN A 492 10.579 -10.935 -4.406 1.00 0.00 O ATOM 1052 CB ASN A 492 11.526 -10.842 -1.323 1.00 0.00 C ATOM 1053 CG ASN A 492 12.877 -11.262 -1.908 1.00 0.00 C ATOM 1054 OD1 ASN A 492 13.127 -12.422 -2.189 1.00 0.00 O ATOM 1055 ND2 ASN A 492 13.730 -10.255 -2.074 1.00 0.00 N ATOM 0 H ASN A 492 9.679 -8.138 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 492 11.524 -9.210 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 492 11.677 -10.367 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 492 10.909 -11.725 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 492 14.658 -10.431 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 492 13.456 -9.307 -1.817 1.00 0.00 H new ATOM 1062 N THR A 493 8.863 -11.142 -2.947 1.00 0.00 N ATOM 1063 CA THR A 493 8.050 -11.944 -3.846 1.00 0.00 C ATOM 1064 C THR A 493 6.860 -12.545 -3.095 1.00 0.00 C ATOM 1065 O THR A 493 6.493 -13.696 -3.326 1.00 0.00 O ATOM 1066 CB THR A 493 8.955 -12.995 -4.491 1.00 0.00 C ATOM 1067 OG1 THR A 493 8.046 -13.937 -5.054 1.00 0.00 O ATOM 1068 CG2 THR A 493 9.740 -13.806 -3.459 1.00 0.00 C ATOM 0 H THR A 493 8.436 -10.953 -2.040 1.00 0.00 H new ATOM 0 HA THR A 493 7.619 -11.334 -4.640 1.00 0.00 H new ATOM 0 HB THR A 493 9.651 -12.505 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 493 7.591 -14.423 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 493 10.366 -14.537 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 493 10.369 -13.137 -2.872 1.00 0.00 H new ATOM 0 HG23 THR A 493 9.045 -14.323 -2.797 1.00 0.00 H new ATOM 1076 N LYS A 494 6.291 -11.739 -2.211 1.00 0.00 N ATOM 1077 CA LYS A 494 5.150 -12.177 -1.424 1.00 0.00 C ATOM 1078 C LYS A 494 4.188 -11.003 -1.232 1.00 0.00 C ATOM 1079 O LYS A 494 3.134 -10.951 -1.865 1.00 0.00 O ATOM 1080 CB LYS A 494 5.616 -12.811 -0.112 1.00 0.00 C ATOM 1081 CG LYS A 494 7.138 -12.970 -0.090 1.00 0.00 C ATOM 1082 CD LYS A 494 7.597 -13.672 1.190 1.00 0.00 C ATOM 1083 CE LYS A 494 6.934 -13.053 2.422 1.00 0.00 C ATOM 1084 NZ LYS A 494 7.716 -13.361 3.641 1.00 0.00 N ATOM 0 H LYS A 494 6.598 -10.785 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 494 4.601 -12.957 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 494 5.299 -12.192 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 494 5.143 -13.785 0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 494 7.460 -13.544 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 494 7.611 -11.990 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 494 7.352 -14.733 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 494 8.681 -13.599 1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 494 6.856 -11.973 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 494 5.919 -13.436 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 494 7.085 -13.360 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 494 8.157 -14.298 3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 494 8.456 -12.642 3.769 1.00 0.00 H new ATOM 1097 N ASN A 495 4.584 -10.092 -0.357 1.00 0.00 N ATOM 1098 CA ASN A 495 3.769 -8.922 -0.073 1.00 0.00 C ATOM 1099 C ASN A 495 4.188 -8.328 1.273 1.00 0.00 C ATOM 1100 O ASN A 495 4.748 -9.027 2.117 1.00 0.00 O ATOM 1101 CB ASN A 495 2.287 -9.292 0.014 1.00 0.00 C ATOM 1102 CG ASN A 495 1.500 -8.680 -1.147 1.00 0.00 C ATOM 1103 OD1 ASN A 495 1.275 -7.483 -1.215 1.00 0.00 O ATOM 1104 ND2 ASN A 495 1.096 -9.566 -2.053 1.00 0.00 N ATOM 0 H ASN A 495 5.459 -10.139 0.166 1.00 0.00 H new ATOM 0 HA ASN A 495 3.915 -8.205 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 495 2.178 -10.376 0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 495 1.876 -8.942 0.961 1.00 0.00 H new ATOM 0 HD21 ASN A 495 0.563 -9.257 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 495 1.319 -10.554 -1.935 1.00 0.00 H new ATOM 1111 N TYR A 496 3.901 -7.044 1.432 1.00 0.00 N ATOM 1112 CA TYR A 496 4.242 -6.348 2.661 1.00 0.00 C ATOM 1113 C TYR A 496 3.152 -6.538 3.719 1.00 0.00 C ATOM 1114 O TYR A 496 1.983 -6.724 3.384 1.00 0.00 O ATOM 1115 CB TYR A 496 4.329 -4.865 2.296 1.00 0.00 C ATOM 1116 CG TYR A 496 5.533 -4.509 1.421 1.00 0.00 C ATOM 1117 CD1 TYR A 496 6.811 -4.609 1.932 1.00 0.00 C ATOM 1118 CD2 TYR A 496 5.341 -4.089 0.121 1.00 0.00 C ATOM 1119 CE1 TYR A 496 7.944 -4.274 1.109 1.00 0.00 C ATOM 1120 CE2 TYR A 496 6.474 -3.754 -0.703 1.00 0.00 C ATOM 1121 CZ TYR A 496 7.719 -3.863 -0.168 1.00 0.00 C ATOM 1122 OH TYR A 496 8.789 -3.547 -0.945 1.00 0.00 O ATOM 0 H TYR A 496 3.436 -6.468 0.730 1.00 0.00 H new ATOM 0 HA TYR A 496 5.175 -6.732 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 496 3.416 -4.575 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 496 4.373 -4.278 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 496 6.961 -4.939 2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 496 4.341 -4.011 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 496 8.949 -4.347 1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 496 6.338 -3.424 -1.722 1.00 0.00 H new ATOM 0 HH TYR A 496 8.518 -3.536 -1.887 1.00 0.00 H new ATOM 1132 N SER A 497 3.574 -6.483 4.973 1.00 0.00 N ATOM 1133 CA SER A 497 2.649 -6.647 6.082 1.00 0.00 C ATOM 1134 C SER A 497 2.567 -5.351 6.890 1.00 0.00 C ATOM 1135 O SER A 497 3.591 -4.747 7.207 1.00 0.00 O ATOM 1136 CB SER A 497 3.070 -7.809 6.983 1.00 0.00 C ATOM 1137 OG SER A 497 2.343 -7.824 8.209 1.00 0.00 O ATOM 0 H SER A 497 4.544 -6.327 5.246 1.00 0.00 H new ATOM 0 HA SER A 497 1.664 -6.877 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 497 2.913 -8.751 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 497 4.137 -7.736 7.195 1.00 0.00 H new ATOM 0 HG SER A 497 2.406 -8.713 8.616 1.00 0.00 H new ATOM 1143 N PHE A 498 1.339 -4.962 7.201 1.00 0.00 N ATOM 1144 CA PHE A 498 1.110 -3.748 7.967 1.00 0.00 C ATOM 1145 C PHE A 498 0.073 -3.981 9.067 1.00 0.00 C ATOM 1146 O PHE A 498 -0.892 -4.719 8.869 1.00 0.00 O ATOM 1147 CB PHE A 498 0.575 -2.698 6.991 1.00 0.00 C ATOM 1148 CG PHE A 498 1.293 -2.680 5.640 1.00 0.00 C ATOM 1149 CD1 PHE A 498 1.200 -3.751 4.807 1.00 0.00 C ATOM 1150 CD2 PHE A 498 2.023 -1.594 5.273 1.00 0.00 C ATOM 1151 CE1 PHE A 498 1.867 -3.735 3.553 1.00 0.00 C ATOM 1152 CE2 PHE A 498 2.690 -1.577 4.019 1.00 0.00 C ATOM 1153 CZ PHE A 498 2.598 -2.648 3.186 1.00 0.00 C ATOM 0 H PHE A 498 0.492 -5.466 6.937 1.00 0.00 H new ATOM 0 HA PHE A 498 2.037 -3.427 8.442 1.00 0.00 H new ATOM 0 HB2 PHE A 498 -0.487 -2.880 6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 498 0.661 -1.713 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 498 0.619 -4.613 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 498 2.096 -0.744 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 498 1.794 -4.585 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 498 3.270 -0.714 3.727 1.00 0.00 H new ATOM 0 HZ PHE A 498 3.105 -2.636 2.233 1.00 0.00 H new ATOM 1163 N SER A 499 0.306 -3.338 10.202 1.00 0.00 N ATOM 1164 CA SER A 499 -0.596 -3.467 11.333 1.00 0.00 C ATOM 1165 C SER A 499 -1.533 -2.259 11.396 1.00 0.00 C ATOM 1166 O SER A 499 -1.137 -1.144 11.060 1.00 0.00 O ATOM 1167 CB SER A 499 0.181 -3.605 12.644 1.00 0.00 C ATOM 1168 OG SER A 499 1.535 -3.184 12.509 1.00 0.00 O ATOM 0 H SER A 499 1.106 -2.726 10.362 1.00 0.00 H new ATOM 0 HA SER A 499 -1.189 -4.371 11.196 1.00 0.00 H new ATOM 0 HB2 SER A 499 -0.307 -3.013 13.419 1.00 0.00 H new ATOM 0 HB3 SER A 499 0.155 -4.644 12.973 1.00 0.00 H new ATOM 0 HG SER A 499 1.996 -3.286 13.368 1.00 0.00 H new ATOM 1174 N THR A 500 -2.757 -2.521 11.829 1.00 0.00 N ATOM 1175 CA THR A 500 -3.753 -1.469 11.939 1.00 0.00 C ATOM 1176 C THR A 500 -3.076 -0.114 12.152 1.00 0.00 C ATOM 1177 O THR A 500 -2.099 -0.013 12.891 1.00 0.00 O ATOM 1178 CB THR A 500 -4.719 -1.848 13.063 1.00 0.00 C ATOM 1179 OG1 THR A 500 -3.874 -2.056 14.192 1.00 0.00 O ATOM 1180 CG2 THR A 500 -5.378 -3.210 12.835 1.00 0.00 C ATOM 0 H THR A 500 -3.082 -3.447 12.108 1.00 0.00 H new ATOM 0 HA THR A 500 -4.326 -1.370 11.017 1.00 0.00 H new ATOM 0 HB THR A 500 -5.490 -1.082 13.152 1.00 0.00 H new ATOM 0 HG1 THR A 500 -4.419 -2.304 14.967 1.00 0.00 H new ATOM 0 HG21 THR A 500 -6.054 -3.430 13.662 1.00 0.00 H new ATOM 0 HG22 THR A 500 -5.941 -3.190 11.902 1.00 0.00 H new ATOM 0 HG23 THR A 500 -4.610 -3.981 12.779 1.00 0.00 H new ATOM 1188 N GLY A 501 -3.623 0.896 11.489 1.00 0.00 N ATOM 1189 CA GLY A 501 -3.084 2.241 11.596 1.00 0.00 C ATOM 1190 C GLY A 501 -2.761 2.813 10.214 1.00 0.00 C ATOM 1191 O GLY A 501 -3.467 2.540 9.245 1.00 0.00 O ATOM 0 H GLY A 501 -4.434 0.809 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 501 -3.803 2.886 12.102 1.00 0.00 H new ATOM 0 HA3 GLY A 501 -2.182 2.228 12.208 1.00 0.00 H new ATOM 1195 N THR A 502 -1.694 3.597 10.168 1.00 0.00 N ATOM 1196 CA THR A 502 -1.270 4.211 8.922 1.00 0.00 C ATOM 1197 C THR A 502 0.221 3.961 8.684 1.00 0.00 C ATOM 1198 O THR A 502 1.025 4.054 9.610 1.00 0.00 O ATOM 1199 CB THR A 502 -1.635 5.696 8.977 1.00 0.00 C ATOM 1200 OG1 THR A 502 -2.979 5.705 9.449 1.00 0.00 O ATOM 1201 CG2 THR A 502 -1.724 6.330 7.588 1.00 0.00 C ATOM 0 H THR A 502 -1.110 3.821 10.974 1.00 0.00 H new ATOM 0 HA THR A 502 -1.783 3.767 8.069 1.00 0.00 H new ATOM 0 HB THR A 502 -0.894 6.230 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 502 -3.296 6.630 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 502 -1.986 7.384 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 502 -0.761 6.240 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 502 -2.488 5.819 7.003 1.00 0.00 H new ATOM 1209 N SER A 503 0.544 3.648 7.438 1.00 0.00 N ATOM 1210 CA SER A 503 1.924 3.383 7.067 1.00 0.00 C ATOM 1211 C SER A 503 2.277 4.143 5.787 1.00 0.00 C ATOM 1212 O SER A 503 1.418 4.363 4.935 1.00 0.00 O ATOM 1213 CB SER A 503 2.165 1.884 6.877 1.00 0.00 C ATOM 1214 OG SER A 503 1.098 1.257 6.171 1.00 0.00 O ATOM 0 H SER A 503 -0.126 3.572 6.672 1.00 0.00 H new ATOM 0 HA SER A 503 2.568 3.728 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 503 3.098 1.733 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 503 2.283 1.410 7.851 1.00 0.00 H new ATOM 0 HG SER A 503 0.701 0.558 6.732 1.00 0.00 H new ATOM 1220 N THR A 504 3.543 4.524 5.693 1.00 0.00 N ATOM 1221 CA THR A 504 4.020 5.255 4.532 1.00 0.00 C ATOM 1222 C THR A 504 4.912 4.362 3.668 1.00 0.00 C ATOM 1223 O THR A 504 5.727 3.602 4.190 1.00 0.00 O ATOM 1224 CB THR A 504 4.723 6.520 5.026 1.00 0.00 C ATOM 1225 OG1 THR A 504 3.656 7.381 5.416 1.00 0.00 O ATOM 1226 CG2 THR A 504 5.422 7.281 3.898 1.00 0.00 C ATOM 0 H THR A 504 4.253 4.340 6.402 1.00 0.00 H new ATOM 0 HA THR A 504 3.194 5.555 3.887 1.00 0.00 H new ATOM 0 HB THR A 504 5.453 6.254 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 504 3.699 7.538 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 504 5.905 8.170 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 504 6.172 6.639 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 504 4.687 7.577 3.149 1.00 0.00 H new ATOM 1234 N TYR A 505 4.729 4.482 2.362 1.00 0.00 N ATOM 1235 CA TYR A 505 5.507 3.694 1.421 1.00 0.00 C ATOM 1236 C TYR A 505 6.253 4.596 0.436 1.00 0.00 C ATOM 1237 O TYR A 505 5.641 5.412 -0.251 1.00 0.00 O ATOM 1238 CB TYR A 505 4.498 2.841 0.649 1.00 0.00 C ATOM 1239 CG TYR A 505 5.133 1.716 -0.170 1.00 0.00 C ATOM 1240 CD1 TYR A 505 6.045 2.013 -1.162 1.00 0.00 C ATOM 1241 CD2 TYR A 505 4.793 0.402 0.084 1.00 0.00 C ATOM 1242 CE1 TYR A 505 6.642 0.954 -1.933 1.00 0.00 C ATOM 1243 CE2 TYR A 505 5.391 -0.657 -0.687 1.00 0.00 C ATOM 1244 CZ TYR A 505 6.286 -0.329 -1.657 1.00 0.00 C ATOM 1245 OH TYR A 505 6.850 -1.330 -2.385 1.00 0.00 O ATOM 0 H TYR A 505 4.053 5.113 1.932 1.00 0.00 H new ATOM 0 HA TYR A 505 6.248 3.092 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 505 3.789 2.408 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 505 3.928 3.486 -0.020 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.311 3.041 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.079 0.169 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 505 7.356 1.173 -2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 505 5.134 -1.689 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 505 7.209 -2.012 -1.780 1.00 0.00 H new ATOM 1255 N THR A 506 7.566 4.420 0.399 1.00 0.00 N ATOM 1256 CA THR A 506 8.402 5.208 -0.490 1.00 0.00 C ATOM 1257 C THR A 506 9.340 4.298 -1.286 1.00 0.00 C ATOM 1258 O THR A 506 9.792 3.272 -0.781 1.00 0.00 O ATOM 1259 CB THR A 506 9.139 6.250 0.355 1.00 0.00 C ATOM 1260 OG1 THR A 506 8.147 7.233 0.636 1.00 0.00 O ATOM 1261 CG2 THR A 506 10.199 7.009 -0.446 1.00 0.00 C ATOM 0 H THR A 506 8.071 3.743 0.971 1.00 0.00 H new ATOM 0 HA THR A 506 7.803 5.735 -1.233 1.00 0.00 H new ATOM 0 HB THR A 506 9.610 5.760 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 506 8.539 7.946 1.182 1.00 0.00 H new ATOM 0 HG21 THR A 506 10.692 7.736 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 506 10.937 6.305 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 506 9.724 7.527 -1.279 1.00 0.00 H new ATOM 1269 N PRO A 507 9.612 4.719 -2.550 1.00 0.00 N ATOM 1270 CA PRO A 507 10.488 3.954 -3.422 1.00 0.00 C ATOM 1271 C PRO A 507 11.952 4.123 -3.013 1.00 0.00 C ATOM 1272 O PRO A 507 12.356 5.197 -2.569 1.00 0.00 O ATOM 1273 CB PRO A 507 10.198 4.469 -4.822 1.00 0.00 C ATOM 1274 CG PRO A 507 9.517 5.816 -4.638 1.00 0.00 C ATOM 1275 CD PRO A 507 9.095 5.930 -3.182 1.00 0.00 C ATOM 0 HA PRO A 507 10.308 2.881 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 507 11.117 4.572 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 507 9.555 3.778 -5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 507 10.196 6.626 -4.903 1.00 0.00 H new ATOM 0 HG3 PRO A 507 8.651 5.898 -5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 507 9.509 6.826 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 507 8.011 5.994 -3.088 1.00 0.00 H new ATOM 1283 N GLY A 508 12.708 3.048 -3.178 1.00 0.00 N ATOM 1284 CA GLY A 508 14.119 3.064 -2.832 1.00 0.00 C ATOM 1285 C GLY A 508 14.975 3.450 -4.039 1.00 0.00 C ATOM 1286 O GLY A 508 14.700 4.444 -4.708 1.00 0.00 O ATOM 0 H GLY A 508 12.370 2.159 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 508 14.290 3.770 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 508 14.419 2.081 -2.468 1.00 0.00 H new ATOM 1290 N ASN A 509 15.997 2.641 -4.282 1.00 0.00 N ATOM 1291 CA ASN A 509 16.896 2.886 -5.397 1.00 0.00 C ATOM 1292 C ASN A 509 18.164 2.048 -5.218 1.00 0.00 C ATOM 1293 O ASN A 509 19.159 2.529 -4.677 1.00 0.00 O ATOM 1294 CB ASN A 509 17.307 4.358 -5.461 1.00 0.00 C ATOM 1295 CG ASN A 509 16.894 4.985 -6.794 1.00 0.00 C ATOM 1296 OD1 ASN A 509 17.706 5.238 -7.669 1.00 0.00 O ATOM 1297 ND2 ASN A 509 15.590 5.222 -6.899 1.00 0.00 N ATOM 0 H ASN A 509 16.222 1.816 -3.726 1.00 0.00 H new ATOM 0 HA ASN A 509 16.374 2.618 -6.316 1.00 0.00 H new ATOM 0 HB2 ASN A 509 16.844 4.904 -4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 509 18.386 4.444 -5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 509 15.215 5.640 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 509 14.965 4.986 -6.128 1.00 0.00 H new ATOM 1304 N SER A 510 18.087 0.809 -5.681 1.00 0.00 N ATOM 1305 CA SER A 510 19.216 -0.100 -5.578 1.00 0.00 C ATOM 1306 C SER A 510 19.502 -0.415 -4.108 1.00 0.00 C ATOM 1307 O SER A 510 19.079 -1.451 -3.598 1.00 0.00 O ATOM 1308 CB SER A 510 20.460 0.489 -6.246 1.00 0.00 C ATOM 1309 OG SER A 510 20.744 -0.140 -7.493 1.00 0.00 O ATOM 0 H SER A 510 17.260 0.413 -6.128 1.00 0.00 H new ATOM 0 HA SER A 510 18.960 -1.023 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 510 20.315 1.558 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 510 21.316 0.378 -5.580 1.00 0.00 H new ATOM 0 HG SER A 510 21.544 0.265 -7.889 1.00 0.00 H new ATOM 1315 N GLY A 511 20.217 0.499 -3.469 1.00 0.00 N ATOM 1316 CA GLY A 511 20.565 0.331 -2.068 1.00 0.00 C ATOM 1317 C GLY A 511 19.311 0.156 -1.209 1.00 0.00 C ATOM 1318 O GLY A 511 19.380 -0.385 -0.107 1.00 0.00 O ATOM 0 H GLY A 511 20.565 1.358 -3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 511 21.214 -0.537 -1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 511 21.128 1.198 -1.723 1.00 0.00 H new ATOM 1322 N ASN A 512 18.194 0.624 -1.747 1.00 0.00 N ATOM 1323 CA ASN A 512 16.926 0.527 -1.043 1.00 0.00 C ATOM 1324 C ASN A 512 15.964 -0.344 -1.853 1.00 0.00 C ATOM 1325 O ASN A 512 16.163 -0.548 -3.050 1.00 0.00 O ATOM 1326 CB ASN A 512 16.285 1.905 -0.870 1.00 0.00 C ATOM 1327 CG ASN A 512 16.930 2.668 0.288 1.00 0.00 C ATOM 1328 OD1 ASN A 512 18.247 2.815 0.172 1.00 0.00 O flip ATOM 1329 ND2 ASN A 512 16.276 3.096 1.225 1.00 0.00 N flip ATOM 0 H ASN A 512 18.141 1.071 -2.662 1.00 0.00 H new ATOM 0 HA ASN A 512 17.117 0.093 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 512 16.391 2.478 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 512 15.217 1.793 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 512 15.267 2.948 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 512 16.738 3.601 1.981 1.00 0.00 H new ATOM 1336 N ALA A 513 14.941 -0.835 -1.169 1.00 0.00 N ATOM 1337 CA ALA A 513 13.948 -1.679 -1.810 1.00 0.00 C ATOM 1338 C ALA A 513 12.598 -1.490 -1.114 1.00 0.00 C ATOM 1339 O ALA A 513 12.302 -2.168 -0.132 1.00 0.00 O ATOM 1340 CB ALA A 513 14.419 -3.135 -1.781 1.00 0.00 C ATOM 0 H ALA A 513 14.779 -0.664 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 513 13.823 -1.397 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 513 13.674 -3.768 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 513 15.366 -3.222 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 513 14.553 -3.454 -0.747 1.00 0.00 H new ATOM 1346 N GLY A 514 11.817 -0.564 -1.651 1.00 0.00 N ATOM 1347 CA GLY A 514 10.506 -0.277 -1.093 1.00 0.00 C ATOM 1348 C GLY A 514 10.586 -0.076 0.421 1.00 0.00 C ATOM 1349 O GLY A 514 10.639 -1.044 1.178 1.00 0.00 O ATOM 0 H GLY A 514 12.066 -0.003 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 514 10.096 0.618 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 514 9.823 -1.096 -1.319 1.00 0.00 H new ATOM 1353 N THR A 515 10.592 1.188 0.818 1.00 0.00 N ATOM 1354 CA THR A 515 10.666 1.529 2.229 1.00 0.00 C ATOM 1355 C THR A 515 9.261 1.705 2.809 1.00 0.00 C ATOM 1356 O THR A 515 8.384 2.274 2.160 1.00 0.00 O ATOM 1357 CB THR A 515 11.542 2.775 2.369 1.00 0.00 C ATOM 1358 OG1 THR A 515 11.333 3.485 1.151 1.00 0.00 O ATOM 1359 CG2 THR A 515 13.036 2.445 2.358 1.00 0.00 C ATOM 0 H THR A 515 10.547 1.989 0.187 1.00 0.00 H new ATOM 0 HA THR A 515 11.124 0.726 2.807 1.00 0.00 H new ATOM 0 HB THR A 515 11.292 3.292 3.295 1.00 0.00 H new ATOM 0 HG1 THR A 515 10.391 3.418 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 515 13.612 3.364 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 515 13.267 1.777 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 515 13.294 1.958 1.418 1.00 0.00 H new ATOM 1367 N ILE A 516 9.090 1.206 4.024 1.00 0.00 N ATOM 1368 CA ILE A 516 7.806 1.301 4.699 1.00 0.00 C ATOM 1369 C ILE A 516 7.992 2.008 6.043 1.00 0.00 C ATOM 1370 O ILE A 516 8.972 1.765 6.746 1.00 0.00 O ATOM 1371 CB ILE A 516 7.159 -0.080 4.815 1.00 0.00 C ATOM 1372 CG1 ILE A 516 7.264 -0.848 3.495 1.00 0.00 C ATOM 1373 CG2 ILE A 516 5.712 0.032 5.299 1.00 0.00 C ATOM 1374 CD1 ILE A 516 7.585 -2.323 3.743 1.00 0.00 C ATOM 0 H ILE A 516 9.819 0.734 4.559 1.00 0.00 H new ATOM 0 HA ILE A 516 7.112 1.905 4.114 1.00 0.00 H new ATOM 0 HB ILE A 516 7.706 -0.652 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 516 6.326 -0.764 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 516 8.040 -0.403 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 516 5.275 -0.964 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 516 5.692 0.511 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 516 5.137 0.629 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 516 7.654 -2.846 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 516 8.535 -2.405 4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 516 6.795 -2.771 4.346 1.00 0.00 H new ATOM 1386 N THR A 517 7.036 2.869 6.360 1.00 0.00 N ATOM 1387 CA THR A 517 7.083 3.613 7.607 1.00 0.00 C ATOM 1388 C THR A 517 5.761 3.468 8.364 1.00 0.00 C ATOM 1389 O THR A 517 4.748 3.082 7.783 1.00 0.00 O ATOM 1390 CB THR A 517 7.439 5.064 7.278 1.00 0.00 C ATOM 1391 OG1 THR A 517 7.296 5.145 5.863 1.00 0.00 O ATOM 1392 CG2 THR A 517 8.917 5.374 7.522 1.00 0.00 C ATOM 0 H THR A 517 6.225 3.068 5.775 1.00 0.00 H new ATOM 0 HA THR A 517 7.849 3.219 8.275 1.00 0.00 H new ATOM 0 HB THR A 517 6.824 5.733 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 517 7.657 5.999 5.546 1.00 0.00 H new ATOM 0 HG21 THR A 517 9.116 6.416 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 517 9.157 5.199 8.571 1.00 0.00 H new ATOM 0 HG23 THR A 517 9.532 4.728 6.896 1.00 0.00 H new ATOM 1400 N SER A 518 5.814 3.785 9.649 1.00 0.00 N ATOM 1401 CA SER A 518 4.634 3.695 10.492 1.00 0.00 C ATOM 1402 C SER A 518 4.129 5.097 10.838 1.00 0.00 C ATOM 1403 O SER A 518 4.579 5.699 11.812 1.00 0.00 O ATOM 1404 CB SER A 518 4.928 2.906 11.769 1.00 0.00 C ATOM 1405 OG SER A 518 6.122 3.350 12.408 1.00 0.00 O ATOM 0 H SER A 518 6.656 4.105 10.127 1.00 0.00 H new ATOM 0 HA SER A 518 3.859 3.163 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 518 4.089 3.006 12.458 1.00 0.00 H new ATOM 0 HB3 SER A 518 5.018 1.847 11.528 1.00 0.00 H new ATOM 0 HG SER A 518 6.112 4.327 12.478 1.00 0.00 H new ATOM 1411 N GLY A 519 3.202 5.576 10.022 1.00 0.00 N ATOM 1412 CA GLY A 519 2.632 6.896 10.230 1.00 0.00 C ATOM 1413 C GLY A 519 2.734 7.744 8.960 1.00 0.00 C ATOM 1414 O GLY A 519 3.788 7.795 8.327 1.00 0.00 O ATOM 0 H GLY A 519 2.831 5.074 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 519 1.587 6.802 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 519 3.151 7.396 11.048 1.00 0.00 H new ATOM 1418 N ALA A 520 1.625 8.387 8.626 1.00 0.00 N ATOM 1419 CA ALA A 520 1.576 9.229 7.443 1.00 0.00 C ATOM 1420 C ALA A 520 2.629 10.333 7.564 1.00 0.00 C ATOM 1421 O ALA A 520 3.002 10.722 8.669 1.00 0.00 O ATOM 1422 CB ALA A 520 0.163 9.788 7.272 1.00 0.00 C ATOM 0 H ALA A 520 0.753 8.342 9.154 1.00 0.00 H new ATOM 0 HA ALA A 520 1.807 8.649 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 520 0.127 10.420 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 520 -0.543 8.965 7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 520 -0.103 10.378 8.149 1.00 0.00 H new ATOM 1428 N PRO A 521 3.091 10.819 6.380 1.00 0.00 N ATOM 1429 CA PRO A 521 4.093 11.870 6.343 1.00 0.00 C ATOM 1430 C PRO A 521 3.480 13.226 6.700 1.00 0.00 C ATOM 1431 O PRO A 521 2.297 13.458 6.459 1.00 0.00 O ATOM 1432 CB PRO A 521 4.657 11.826 4.932 1.00 0.00 C ATOM 1433 CG PRO A 521 3.634 11.072 4.098 1.00 0.00 C ATOM 1434 CD PRO A 521 2.673 10.382 5.052 1.00 0.00 C ATOM 0 HA PRO A 521 4.884 11.723 7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 521 4.814 12.832 4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 521 5.624 11.323 4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 521 3.096 11.757 3.443 1.00 0.00 H new ATOM 0 HG3 PRO A 521 4.128 10.341 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 521 1.641 10.666 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 521 2.730 9.298 4.956 1.00 0.00 H new ATOM 1442 N ALA A 522 4.313 14.084 7.270 1.00 0.00 N ATOM 1443 CA ALA A 522 3.867 15.410 7.663 1.00 0.00 C ATOM 1444 C ALA A 522 4.600 16.459 6.825 1.00 0.00 C ATOM 1445 O ALA A 522 5.302 17.312 7.366 1.00 0.00 O ATOM 1446 CB ALA A 522 4.094 15.601 9.164 1.00 0.00 C ATOM 0 H ALA A 522 5.294 13.887 7.469 1.00 0.00 H new ATOM 0 HA ALA A 522 2.799 15.526 7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 522 3.760 16.596 9.459 1.00 0.00 H new ATOM 0 HB2 ALA A 522 3.529 14.850 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 522 5.155 15.494 9.388 1.00 0.00 H new ATOM 1452 N GLY A 523 4.412 16.362 5.517 1.00 0.00 N ATOM 1453 CA GLY A 523 5.046 17.292 4.599 1.00 0.00 C ATOM 1454 C GLY A 523 6.456 17.653 5.071 1.00 0.00 C ATOM 1455 O GLY A 523 7.430 17.432 4.353 1.00 0.00 O ATOM 0 H GLY A 523 3.829 15.653 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 523 5.094 16.850 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 523 4.443 18.196 4.518 1.00 0.00 H new TER 1459 GLY A 523