USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1029 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 514 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Set 1.2: A 518 CYS SG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 438 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-2!) USER MOD Single : A 439 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-1.1) USER MOD Single : A 440 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 441 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.45) USER MOD Single : A 442 HIS : no HE2:sc= 0.122 K(o=0.12,f=-1.3) USER MOD Single : A 443 HIS : no HD1:sc= -0.0685 X(o=-0.068,f=0) USER MOD Single : A 444 SER OG : rot 180:sc= -0.0434 USER MOD Single : A 445 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.2) USER MOD Single : A 447 THR OG1 : rot 42:sc= 0.0576 USER MOD Single : A 450 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.91) USER MOD Single : A 453 SER OG : rot 109:sc= 0.854 USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 SER OG : rot -28:sc= -2.74! USER MOD Single : A 462 THR OG1 : rot 180:sc= -0.0409 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.54) USER MOD Single : A 474 THR OG1 : rot -80:sc= -4.29! USER MOD Single : A 479 SER OG : rot -8:sc= 0.854 USER MOD Single : A 483 TYR OH : rot 180:sc= 0 USER MOD Single : A 491 THR OG1 : rot 180:sc= 0 USER MOD Single : A 493 CYS SG : rot 100:sc= -1.21 USER MOD Single : A 494 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-6.7!) USER MOD Single : A 498 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 499 THR OG1 : rot 140:sc= -0.791! USER MOD Single : A 504 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.21) USER MOD Single : A 508 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.7) USER MOD Single : A 510 TYR OH : rot 49:sc= -3.46! USER MOD Single : A 511 THR OG1 : rot -90:sc= 0.159 USER MOD Single : A 515 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 517 HIS : no HE2:sc= -7.8! C(o=-7.8!,f=-9.9!) USER MOD Single : A 520 LYS NZ :NH3+ 154:sc= -0.531 (180deg=-2.1!) USER MOD Single : A 525 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.27) USER MOD Single : A 530 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 532 TYR OH : rot -49:sc= -3.33! USER MOD Single : A 534 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.5!) USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 541 GLN : amide:sc= -5.82! C(o=-5.8!,f=-11!) USER MOD Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 ASN : amide:sc= -1 X(o=-1,f=-0.95) USER MOD Single : A 546 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.3!) USER MOD Single : A 550 LYS NZ :NH3+ -109:sc= 0.00343 (180deg=-0.968) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 560 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 437 136.248 4.301 5.570 1.00 0.00 N ATOM 2 CA MET A 437 135.738 2.957 5.194 1.00 0.00 C ATOM 3 C MET A 437 136.356 2.477 3.886 1.00 0.00 C ATOM 4 O MET A 437 136.997 3.248 3.170 1.00 0.00 O ATOM 5 CB MET A 437 134.216 3.033 5.059 1.00 0.00 C ATOM 6 CG MET A 437 133.503 3.363 6.360 1.00 0.00 C ATOM 7 SD MET A 437 131.834 2.682 6.430 1.00 0.00 S ATOM 8 CE MET A 437 130.853 4.145 6.101 1.00 0.00 C ATOM 0 HA MET A 437 136.013 2.242 5.969 1.00 0.00 H new ATOM 0 HB2 MET A 437 133.963 3.788 4.315 1.00 0.00 H new ATOM 0 HB3 MET A 437 133.845 2.079 4.684 1.00 0.00 H new ATOM 0 HG2 MET A 437 134.085 2.976 7.197 1.00 0.00 H new ATOM 0 HG3 MET A 437 133.455 4.445 6.479 1.00 0.00 H new ATOM 0 HE1 MET A 437 129.795 3.884 6.112 1.00 0.00 H new ATOM 0 HE2 MET A 437 131.049 4.895 6.868 1.00 0.00 H new ATOM 0 HE3 MET A 437 131.117 4.548 5.123 1.00 0.00 H new ATOM 20 N HIS A 438 136.160 1.199 3.579 1.00 0.00 N ATOM 21 CA HIS A 438 136.698 0.616 2.356 1.00 0.00 C ATOM 22 C HIS A 438 135.875 -0.592 1.919 1.00 0.00 C ATOM 23 O HIS A 438 136.318 -1.734 2.038 1.00 0.00 O ATOM 24 CB HIS A 438 138.159 0.206 2.561 1.00 0.00 C ATOM 25 CG HIS A 438 138.958 1.206 3.337 1.00 0.00 C ATOM 26 ND1 HIS A 438 139.128 1.136 4.703 1.00 0.00 N ATOM 27 CD2 HIS A 438 139.639 2.305 2.930 1.00 0.00 C ATOM 28 CE1 HIS A 438 139.878 2.148 5.104 1.00 0.00 C ATOM 29 NE2 HIS A 438 140.200 2.872 4.048 1.00 0.00 N ATOM 0 H HIS A 438 135.633 0.548 4.160 1.00 0.00 H new ATOM 0 HA HIS A 438 136.646 1.370 1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 438 138.190 -0.752 3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 438 138.626 0.057 1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 438 139.724 2.667 1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 438 140.177 2.348 6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 438 140.773 3.716 4.060 1.00 0.00 H new ATOM 38 N HIS A 439 134.674 -0.331 1.411 1.00 0.00 N ATOM 39 CA HIS A 439 133.788 -1.397 0.954 1.00 0.00 C ATOM 40 C HIS A 439 132.430 -0.834 0.544 1.00 0.00 C ATOM 41 O HIS A 439 131.966 0.162 1.100 1.00 0.00 O ATOM 42 CB HIS A 439 133.608 -2.447 2.051 1.00 0.00 C ATOM 43 CG HIS A 439 133.344 -1.860 3.403 1.00 0.00 C ATOM 44 ND1 HIS A 439 134.319 -1.717 4.367 1.00 0.00 N ATOM 45 CD2 HIS A 439 132.205 -1.372 3.949 1.00 0.00 C ATOM 46 CE1 HIS A 439 133.792 -1.170 5.448 1.00 0.00 C ATOM 47 NE2 HIS A 439 132.510 -0.950 5.219 1.00 0.00 N ATOM 0 H HIS A 439 134.292 0.609 1.305 1.00 0.00 H new ATOM 0 HA HIS A 439 134.245 -1.868 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 439 132.781 -3.104 1.781 1.00 0.00 H new ATOM 0 HB3 HIS A 439 134.504 -3.066 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 439 131.236 -1.324 3.474 1.00 0.00 H new ATOM 0 HE1 HIS A 439 134.319 -0.942 6.362 1.00 0.00 H new ATOM 0 HE2 HIS A 439 131.853 -0.534 5.879 1.00 0.00 H new ATOM 56 N HIS A 440 131.797 -1.477 -0.432 1.00 0.00 N ATOM 57 CA HIS A 440 130.494 -1.038 -0.915 1.00 0.00 C ATOM 58 C HIS A 440 130.469 0.474 -1.110 1.00 0.00 C ATOM 59 O HIS A 440 129.656 1.176 -0.509 1.00 0.00 O ATOM 60 CB HIS A 440 129.394 -1.453 0.066 1.00 0.00 C ATOM 61 CG HIS A 440 128.285 -2.228 -0.575 1.00 0.00 C ATOM 62 ND1 HIS A 440 128.195 -3.603 -0.516 1.00 0.00 N ATOM 63 CD2 HIS A 440 127.215 -1.814 -1.293 1.00 0.00 C ATOM 64 CE1 HIS A 440 127.117 -4.001 -1.171 1.00 0.00 C ATOM 65 NE2 HIS A 440 126.506 -2.933 -1.651 1.00 0.00 N ATOM 0 H HIS A 440 132.165 -2.303 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 440 130.312 -1.516 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 440 129.835 -2.054 0.861 1.00 0.00 H new ATOM 0 HB3 HIS A 440 128.980 -0.560 0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 440 126.965 -0.792 -1.539 1.00 0.00 H new ATOM 0 HE1 HIS A 440 126.792 -5.024 -1.292 1.00 0.00 H new ATOM 0 HE2 HIS A 440 125.646 -2.939 -2.199 1.00 0.00 H new ATOM 74 N HIS A 441 131.367 0.971 -1.955 1.00 0.00 N ATOM 75 CA HIS A 441 131.448 2.402 -2.226 1.00 0.00 C ATOM 76 C HIS A 441 130.063 2.984 -2.485 1.00 0.00 C ATOM 77 O HIS A 441 129.460 2.742 -3.532 1.00 0.00 O ATOM 78 CB HIS A 441 132.360 2.673 -3.425 1.00 0.00 C ATOM 79 CG HIS A 441 132.482 1.513 -4.366 1.00 0.00 C ATOM 80 ND1 HIS A 441 131.477 1.136 -5.232 1.00 0.00 N ATOM 81 CD2 HIS A 441 133.502 0.647 -4.575 1.00 0.00 C ATOM 82 CE1 HIS A 441 131.873 0.087 -5.931 1.00 0.00 C ATOM 83 NE2 HIS A 441 133.097 -0.228 -5.552 1.00 0.00 N ATOM 0 H HIS A 441 132.047 0.405 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 441 131.870 2.886 -1.346 1.00 0.00 H new ATOM 0 HB2 HIS A 441 131.978 3.535 -3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 441 133.352 2.940 -3.062 1.00 0.00 H new ATOM 0 HD2 HIS A 441 134.456 0.645 -4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 441 131.293 -0.425 -6.684 1.00 0.00 H new ATOM 0 HE2 HIS A 441 133.653 -0.998 -5.925 1.00 0.00 H new ATOM 92 N HIS A 442 129.564 3.754 -1.523 1.00 0.00 N ATOM 93 CA HIS A 442 128.250 4.375 -1.641 1.00 0.00 C ATOM 94 C HIS A 442 127.991 4.840 -3.070 1.00 0.00 C ATOM 95 O HIS A 442 128.589 5.809 -3.536 1.00 0.00 O ATOM 96 CB HIS A 442 128.138 5.560 -0.680 1.00 0.00 C ATOM 97 CG HIS A 442 129.436 6.273 -0.456 1.00 0.00 C ATOM 98 ND1 HIS A 442 130.064 7.020 -1.431 1.00 0.00 N ATOM 99 CD2 HIS A 442 130.227 6.348 0.640 1.00 0.00 C ATOM 100 CE1 HIS A 442 131.183 7.522 -0.945 1.00 0.00 C ATOM 101 NE2 HIS A 442 131.306 7.131 0.310 1.00 0.00 N ATOM 0 H HIS A 442 130.051 3.963 -0.652 1.00 0.00 H new ATOM 0 HA HIS A 442 127.499 3.629 -1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 442 127.407 6.267 -1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 442 127.757 5.206 0.278 1.00 0.00 H new ATOM 0 HD1 HIS A 442 129.717 7.162 -2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 442 130.044 5.879 1.596 1.00 0.00 H new ATOM 0 HE1 HIS A 442 131.880 8.147 -1.483 1.00 0.00 H new ATOM 110 N HIS A 443 127.094 4.144 -3.760 1.00 0.00 N ATOM 111 CA HIS A 443 126.753 4.487 -5.135 1.00 0.00 C ATOM 112 C HIS A 443 126.127 5.876 -5.210 1.00 0.00 C ATOM 113 O HIS A 443 126.566 6.725 -5.984 1.00 0.00 O ATOM 114 CB HIS A 443 125.791 3.452 -5.719 1.00 0.00 C ATOM 115 CG HIS A 443 126.479 2.351 -6.464 1.00 0.00 C ATOM 116 ND1 HIS A 443 125.897 1.674 -7.515 1.00 0.00 N ATOM 117 CD2 HIS A 443 127.710 1.811 -6.307 1.00 0.00 C ATOM 118 CE1 HIS A 443 126.740 0.765 -7.972 1.00 0.00 C ATOM 119 NE2 HIS A 443 127.847 0.828 -7.257 1.00 0.00 N ATOM 0 H HIS A 443 126.590 3.339 -3.389 1.00 0.00 H new ATOM 0 HA HIS A 443 127.673 4.489 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 443 125.201 3.020 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 443 125.094 3.954 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 443 128.447 2.099 -5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 443 126.554 0.086 -8.791 1.00 0.00 H new ATOM 0 HE2 HIS A 443 128.671 0.242 -7.388 1.00 0.00 H new ATOM 128 N SER A 444 125.101 6.097 -4.396 1.00 0.00 N ATOM 129 CA SER A 444 124.410 7.382 -4.364 1.00 0.00 C ATOM 130 C SER A 444 123.813 7.714 -5.727 1.00 0.00 C ATOM 131 O SER A 444 124.212 7.150 -6.746 1.00 0.00 O ATOM 132 CB SER A 444 125.369 8.492 -3.927 1.00 0.00 C ATOM 133 OG SER A 444 125.237 9.636 -4.752 1.00 0.00 O ATOM 0 H SER A 444 124.728 5.402 -3.748 1.00 0.00 H new ATOM 0 HA SER A 444 123.597 7.310 -3.641 1.00 0.00 H new ATOM 0 HB2 SER A 444 125.168 8.763 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 444 126.395 8.127 -3.968 1.00 0.00 H new ATOM 0 HG SER A 444 125.859 10.330 -4.450 1.00 0.00 H new ATOM 139 N ASN A 445 122.851 8.633 -5.737 1.00 0.00 N ATOM 140 CA ASN A 445 122.192 9.044 -6.972 1.00 0.00 C ATOM 141 C ASN A 445 122.037 7.868 -7.931 1.00 0.00 C ATOM 142 O ASN A 445 121.045 7.140 -7.878 1.00 0.00 O ATOM 143 CB ASN A 445 122.982 10.167 -7.649 1.00 0.00 C ATOM 144 CG ASN A 445 122.727 11.521 -7.015 1.00 0.00 C ATOM 145 OD1 ASN A 445 122.062 11.621 -5.985 1.00 0.00 O ATOM 146 ND2 ASN A 445 123.259 12.571 -7.630 1.00 0.00 N ATOM 0 H ASN A 445 122.510 9.108 -4.901 1.00 0.00 H new ATOM 0 HA ASN A 445 121.198 9.410 -6.714 1.00 0.00 H new ATOM 0 HB2 ASN A 445 124.047 9.940 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 445 122.716 10.208 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 445 123.123 13.508 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 445 123.804 12.441 -8.483 1.00 0.00 H new ATOM 153 N ALA A 446 123.020 7.687 -8.807 1.00 0.00 N ATOM 154 CA ALA A 446 122.989 6.600 -9.778 1.00 0.00 C ATOM 155 C ALA A 446 121.958 6.872 -10.870 1.00 0.00 C ATOM 156 O ALA A 446 121.566 8.017 -11.096 1.00 0.00 O ATOM 157 CB ALA A 446 122.692 5.272 -9.099 1.00 0.00 C ATOM 0 H ALA A 446 123.848 8.280 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 446 123.975 6.541 -10.239 1.00 0.00 H new ATOM 0 HB1 ALA A 446 122.674 4.478 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 446 123.466 5.060 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 446 121.723 5.326 -8.603 1.00 0.00 H new ATOM 163 N THR A 447 121.524 5.811 -11.542 1.00 0.00 N ATOM 164 CA THR A 447 120.538 5.930 -12.610 1.00 0.00 C ATOM 165 C THR A 447 119.466 4.852 -12.491 1.00 0.00 C ATOM 166 O THR A 447 119.771 3.659 -12.473 1.00 0.00 O ATOM 167 CB THR A 447 121.196 5.835 -13.999 1.00 0.00 C ATOM 168 OG1 THR A 447 122.091 4.718 -14.079 1.00 0.00 O ATOM 169 CG2 THR A 447 121.977 7.101 -14.317 1.00 0.00 C ATOM 0 H THR A 447 121.840 4.857 -11.366 1.00 0.00 H new ATOM 0 HA THR A 447 120.076 6.911 -12.504 1.00 0.00 H new ATOM 0 HB THR A 447 120.390 5.705 -14.722 1.00 0.00 H new ATOM 0 HG1 THR A 447 121.684 3.941 -13.643 1.00 0.00 H new ATOM 0 HG21 THR A 447 122.432 7.010 -15.303 1.00 0.00 H new ATOM 0 HG22 THR A 447 121.302 7.957 -14.307 1.00 0.00 H new ATOM 0 HG23 THR A 447 122.757 7.245 -13.569 1.00 0.00 H new ATOM 177 N GLY A 448 118.210 5.279 -12.408 1.00 0.00 N ATOM 178 CA GLY A 448 117.112 4.337 -12.291 1.00 0.00 C ATOM 179 C GLY A 448 116.560 4.262 -10.880 1.00 0.00 C ATOM 180 O GLY A 448 117.320 4.249 -9.913 1.00 0.00 O ATOM 0 H GLY A 448 117.933 6.261 -12.420 1.00 0.00 H new ATOM 0 HA2 GLY A 448 116.314 4.627 -12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 448 117.452 3.348 -12.598 1.00 0.00 H new ATOM 184 N PRO A 449 115.229 4.211 -10.734 1.00 0.00 N ATOM 185 CA PRO A 449 114.575 4.136 -9.424 1.00 0.00 C ATOM 186 C PRO A 449 114.748 2.771 -8.765 1.00 0.00 C ATOM 187 O PRO A 449 115.225 1.824 -9.390 1.00 0.00 O ATOM 188 CB PRO A 449 113.104 4.387 -9.752 1.00 0.00 C ATOM 189 CG PRO A 449 112.949 3.917 -11.157 1.00 0.00 C ATOM 190 CD PRO A 449 114.254 4.223 -11.840 1.00 0.00 C ATOM 0 HA PRO A 449 114.998 4.848 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 449 112.448 3.839 -9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 449 112.851 5.443 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 449 112.732 2.849 -11.190 1.00 0.00 H new ATOM 0 HG3 PRO A 449 112.121 4.426 -11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 449 114.496 3.477 -12.597 1.00 0.00 H new ATOM 0 HD3 PRO A 449 114.228 5.190 -12.342 1.00 0.00 H new ATOM 198 N GLN A 450 114.352 2.677 -7.500 1.00 0.00 N ATOM 199 CA GLN A 450 114.456 1.428 -6.753 1.00 0.00 C ATOM 200 C GLN A 450 113.482 1.417 -5.579 1.00 0.00 C ATOM 201 O GLN A 450 113.717 2.062 -4.558 1.00 0.00 O ATOM 202 CB GLN A 450 115.886 1.223 -6.249 1.00 0.00 C ATOM 203 CG GLN A 450 116.360 -0.219 -6.343 1.00 0.00 C ATOM 204 CD GLN A 450 116.031 -0.854 -7.679 1.00 0.00 C ATOM 205 OE1 GLN A 450 115.260 -1.810 -7.754 1.00 0.00 O ATOM 206 NE2 GLN A 450 116.618 -0.323 -8.746 1.00 0.00 N ATOM 0 H GLN A 450 113.955 3.452 -6.969 1.00 0.00 H new ATOM 0 HA GLN A 450 114.199 0.609 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 450 116.560 1.857 -6.824 1.00 0.00 H new ATOM 0 HB3 GLN A 450 115.948 1.551 -5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 450 117.438 -0.255 -6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 450 115.900 -0.802 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 450 117.251 0.470 -8.638 1.00 0.00 H new ATOM 0 HE22 GLN A 450 116.436 -0.708 -9.673 1.00 0.00 H new ATOM 215 N PHE A 451 112.386 0.683 -5.736 1.00 0.00 N ATOM 216 CA PHE A 451 111.370 0.588 -4.694 1.00 0.00 C ATOM 217 C PHE A 451 111.775 -0.422 -3.626 1.00 0.00 C ATOM 218 O PHE A 451 112.156 -1.550 -3.939 1.00 0.00 O ATOM 219 CB PHE A 451 110.029 0.179 -5.303 1.00 0.00 C ATOM 220 CG PHE A 451 109.995 -1.252 -5.755 1.00 0.00 C ATOM 221 CD1 PHE A 451 109.762 -2.273 -4.847 1.00 0.00 C ATOM 222 CD2 PHE A 451 110.201 -1.578 -7.086 1.00 0.00 C ATOM 223 CE1 PHE A 451 109.734 -3.592 -5.258 1.00 0.00 C ATOM 224 CE2 PHE A 451 110.173 -2.896 -7.503 1.00 0.00 C ATOM 225 CZ PHE A 451 109.940 -3.904 -6.588 1.00 0.00 C ATOM 0 H PHE A 451 112.178 0.144 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 451 111.274 1.568 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 451 109.240 0.340 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 451 109.811 0.827 -6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 451 109.600 -2.035 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 451 110.385 -0.794 -7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 451 109.551 -4.378 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 451 110.333 -3.137 -8.543 1.00 0.00 H new ATOM 0 HZ PHE A 451 109.919 -4.934 -6.912 1.00 0.00 H new ATOM 235 N VAL A 452 111.681 -0.016 -2.362 1.00 0.00 N ATOM 236 CA VAL A 452 112.030 -0.897 -1.256 1.00 0.00 C ATOM 237 C VAL A 452 111.277 -2.223 -1.366 1.00 0.00 C ATOM 238 O VAL A 452 110.133 -2.348 -0.933 1.00 0.00 O ATOM 239 CB VAL A 452 111.737 -0.237 0.103 1.00 0.00 C ATOM 240 CG1 VAL A 452 110.290 0.222 0.184 1.00 0.00 C ATOM 241 CG2 VAL A 452 112.072 -1.185 1.241 1.00 0.00 C ATOM 0 H VAL A 452 111.367 0.913 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 452 113.101 -1.090 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 452 112.371 0.644 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 452 110.109 0.685 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 452 110.093 0.947 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 452 109.629 -0.636 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 452 111.858 -0.700 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 452 111.470 -2.089 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 452 113.129 -1.447 1.197 1.00 0.00 H new ATOM 251 N SER A 453 111.934 -3.197 -1.981 1.00 0.00 N ATOM 252 CA SER A 453 111.361 -4.523 -2.204 1.00 0.00 C ATOM 253 C SER A 453 111.215 -5.337 -0.917 1.00 0.00 C ATOM 254 O SER A 453 112.054 -5.270 -0.020 1.00 0.00 O ATOM 255 CB SER A 453 112.212 -5.298 -3.210 1.00 0.00 C ATOM 256 OG SER A 453 113.087 -6.198 -2.553 1.00 0.00 O ATOM 0 H SER A 453 112.882 -3.092 -2.341 1.00 0.00 H new ATOM 0 HA SER A 453 110.357 -4.368 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 453 111.563 -5.849 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 453 112.791 -4.600 -3.815 1.00 0.00 H new ATOM 0 HG SER A 453 112.784 -7.118 -2.704 1.00 0.00 H new ATOM 262 N GLY A 454 110.145 -6.131 -0.865 1.00 0.00 N ATOM 263 CA GLY A 454 109.886 -6.992 0.278 1.00 0.00 C ATOM 264 C GLY A 454 109.573 -6.268 1.575 1.00 0.00 C ATOM 265 O GLY A 454 109.876 -6.777 2.654 1.00 0.00 O ATOM 0 H GLY A 454 109.446 -6.192 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 454 109.050 -7.648 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 454 110.756 -7.629 0.437 1.00 0.00 H new ATOM 269 N VAL A 455 108.944 -5.102 1.490 1.00 0.00 N ATOM 270 CA VAL A 455 108.576 -4.360 2.686 1.00 0.00 C ATOM 271 C VAL A 455 107.080 -4.065 2.700 1.00 0.00 C ATOM 272 O VAL A 455 106.594 -3.304 3.535 1.00 0.00 O ATOM 273 CB VAL A 455 109.361 -3.045 2.811 1.00 0.00 C ATOM 274 CG1 VAL A 455 110.856 -3.321 2.776 1.00 0.00 C ATOM 275 CG2 VAL A 455 108.956 -2.071 1.715 1.00 0.00 C ATOM 0 H VAL A 455 108.681 -4.654 0.612 1.00 0.00 H new ATOM 0 HA VAL A 455 108.829 -4.989 3.539 1.00 0.00 H new ATOM 0 HB VAL A 455 109.122 -2.584 3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 455 111.402 -2.382 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 455 111.124 -3.977 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 455 111.115 -3.803 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 455 109.524 -1.147 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 455 109.163 -2.513 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 455 107.891 -1.854 1.796 1.00 0.00 H new ATOM 285 N ILE A 456 106.352 -4.685 1.773 1.00 0.00 N ATOM 286 CA ILE A 456 104.908 -4.498 1.683 1.00 0.00 C ATOM 287 C ILE A 456 104.176 -5.526 2.537 1.00 0.00 C ATOM 288 O ILE A 456 103.950 -6.657 2.109 1.00 0.00 O ATOM 289 CB ILE A 456 104.410 -4.613 0.231 1.00 0.00 C ATOM 290 CG1 ILE A 456 105.041 -3.529 -0.645 1.00 0.00 C ATOM 291 CG2 ILE A 456 102.892 -4.521 0.188 1.00 0.00 C ATOM 292 CD1 ILE A 456 105.349 -2.244 0.097 1.00 0.00 C ATOM 0 H ILE A 456 106.739 -5.320 1.075 1.00 0.00 H new ATOM 0 HA ILE A 456 104.695 -3.494 2.050 1.00 0.00 H new ATOM 0 HB ILE A 456 104.711 -5.584 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 456 105.963 -3.917 -1.079 1.00 0.00 H new ATOM 0 HG13 ILE A 456 104.368 -3.307 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 456 102.552 -4.604 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 456 102.462 -5.330 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 456 102.574 -3.563 0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 456 105.794 -1.525 -0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 456 104.428 -1.831 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 456 106.047 -2.451 0.908 1.00 0.00 H new ATOM 304 N VAL A 457 103.817 -5.126 3.750 1.00 0.00 N ATOM 305 CA VAL A 457 103.119 -6.016 4.669 1.00 0.00 C ATOM 306 C VAL A 457 101.617 -6.039 4.396 1.00 0.00 C ATOM 307 O VAL A 457 100.923 -5.041 4.586 1.00 0.00 O ATOM 308 CB VAL A 457 103.364 -5.617 6.139 1.00 0.00 C ATOM 309 CG1 VAL A 457 102.463 -4.463 6.548 1.00 0.00 C ATOM 310 CG2 VAL A 457 103.156 -6.813 7.055 1.00 0.00 C ATOM 0 H VAL A 457 103.997 -4.193 4.120 1.00 0.00 H new ATOM 0 HA VAL A 457 103.523 -7.014 4.501 1.00 0.00 H new ATOM 0 HB VAL A 457 104.398 -5.284 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 457 102.656 -4.202 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 457 102.666 -3.600 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 457 101.420 -4.758 6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 457 103.333 -6.515 8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 457 102.134 -7.177 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 457 103.852 -7.606 6.782 1.00 0.00 H new ATOM 320 N LYS A 458 101.127 -7.189 3.950 1.00 0.00 N ATOM 321 CA LYS A 458 99.710 -7.353 3.651 1.00 0.00 C ATOM 322 C LYS A 458 98.901 -7.552 4.930 1.00 0.00 C ATOM 323 O LYS A 458 99.160 -8.475 5.703 1.00 0.00 O ATOM 324 CB LYS A 458 99.496 -8.543 2.714 1.00 0.00 C ATOM 325 CG LYS A 458 98.033 -8.911 2.533 1.00 0.00 C ATOM 326 CD LYS A 458 97.876 -10.268 1.866 1.00 0.00 C ATOM 327 CE LYS A 458 96.413 -10.599 1.620 1.00 0.00 C ATOM 328 NZ LYS A 458 96.248 -11.919 0.952 1.00 0.00 N ATOM 0 H LYS A 458 101.691 -8.023 3.787 1.00 0.00 H new ATOM 0 HA LYS A 458 99.365 -6.444 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 458 99.928 -8.312 1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 458 100.035 -9.406 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 458 97.537 -8.922 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 458 97.537 -8.149 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 458 98.416 -10.274 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 458 98.324 -11.038 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 458 95.877 -10.603 2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 458 95.963 -9.821 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 95.236 -12.108 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 96.738 -11.908 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 96.654 -12.665 1.552 1.00 0.00 H new ATOM 342 N ILE A 459 97.908 -6.695 5.134 1.00 0.00 N ATOM 343 CA ILE A 459 97.040 -6.788 6.302 1.00 0.00 C ATOM 344 C ILE A 459 95.627 -7.173 5.891 1.00 0.00 C ATOM 345 O ILE A 459 94.977 -6.461 5.125 1.00 0.00 O ATOM 346 CB ILE A 459 96.980 -5.471 7.099 1.00 0.00 C ATOM 347 CG1 ILE A 459 98.387 -5.009 7.481 1.00 0.00 C ATOM 348 CG2 ILE A 459 96.117 -5.649 8.343 1.00 0.00 C ATOM 349 CD1 ILE A 459 98.401 -3.879 8.488 1.00 0.00 C ATOM 0 H ILE A 459 97.683 -5.925 4.504 1.00 0.00 H new ATOM 0 HA ILE A 459 97.471 -7.558 6.942 1.00 0.00 H new ATOM 0 HB ILE A 459 96.530 -4.703 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 459 98.940 -5.855 7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 459 98.912 -4.689 6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 459 96.082 -4.712 8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 459 95.107 -5.934 8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 459 96.544 -6.429 8.974 1.00 0.00 H new ATOM 0 HD11 ILE A 459 99.432 -3.604 8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 459 97.877 -3.017 8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 459 97.905 -4.201 9.403 1.00 0.00 H new ATOM 361 N ILE A 460 95.147 -8.287 6.419 1.00 0.00 N ATOM 362 CA ILE A 460 93.799 -8.739 6.118 1.00 0.00 C ATOM 363 C ILE A 460 93.059 -9.116 7.393 1.00 0.00 C ATOM 364 O ILE A 460 93.615 -9.767 8.277 1.00 0.00 O ATOM 365 CB ILE A 460 93.788 -9.916 5.114 1.00 0.00 C ATOM 366 CG1 ILE A 460 92.420 -10.022 4.440 1.00 0.00 C ATOM 367 CG2 ILE A 460 94.155 -11.228 5.788 1.00 0.00 C ATOM 368 CD1 ILE A 460 91.401 -10.786 5.257 1.00 0.00 C ATOM 0 H ILE A 460 95.667 -8.892 7.055 1.00 0.00 H new ATOM 0 HA ILE A 460 93.280 -7.905 5.645 1.00 0.00 H new ATOM 0 HB ILE A 460 94.543 -9.716 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 460 92.040 -9.019 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 460 92.538 -10.510 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 460 94.137 -12.032 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 460 95.154 -11.150 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 460 93.437 -11.444 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 460 90.455 -10.821 4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 460 91.759 -11.801 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 460 91.254 -10.287 6.215 1.00 0.00 H new ATOM 380 N SER A 461 91.810 -8.686 7.493 1.00 0.00 N ATOM 381 CA SER A 461 91.004 -8.970 8.673 1.00 0.00 C ATOM 382 C SER A 461 89.718 -9.692 8.298 1.00 0.00 C ATOM 383 O SER A 461 89.604 -10.261 7.212 1.00 0.00 O ATOM 384 CB SER A 461 90.670 -7.675 9.415 1.00 0.00 C ATOM 385 OG SER A 461 89.616 -6.975 8.775 1.00 0.00 O ATOM 0 H SER A 461 91.333 -8.141 6.775 1.00 0.00 H new ATOM 0 HA SER A 461 91.588 -9.619 9.326 1.00 0.00 H new ATOM 0 HB2 SER A 461 90.387 -7.904 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 461 91.555 -7.041 9.462 1.00 0.00 H new ATOM 0 HG SER A 461 89.619 -7.183 7.817 1.00 0.00 H new ATOM 391 N THR A 462 88.754 -9.665 9.208 1.00 0.00 N ATOM 392 CA THR A 462 87.470 -10.319 8.983 1.00 0.00 C ATOM 393 C THR A 462 86.326 -9.313 8.997 1.00 0.00 C ATOM 394 O THR A 462 85.196 -9.642 8.635 1.00 0.00 O ATOM 395 CB THR A 462 87.196 -11.401 10.046 1.00 0.00 C ATOM 396 OG1 THR A 462 86.940 -10.818 11.330 1.00 0.00 O ATOM 397 CG2 THR A 462 88.378 -12.351 10.173 1.00 0.00 C ATOM 0 H THR A 462 88.836 -9.197 10.111 1.00 0.00 H new ATOM 0 HA THR A 462 87.526 -10.788 8.000 1.00 0.00 H new ATOM 0 HB THR A 462 86.315 -11.951 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 462 86.768 -11.528 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 462 88.159 -13.105 10.929 1.00 0.00 H new ATOM 0 HG22 THR A 462 88.557 -12.839 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 462 89.266 -11.790 10.466 1.00 0.00 H new ATOM 405 N GLU A 463 86.626 -8.086 9.417 1.00 0.00 N ATOM 406 CA GLU A 463 85.625 -7.025 9.482 1.00 0.00 C ATOM 407 C GLU A 463 86.017 -5.968 10.510 1.00 0.00 C ATOM 408 O GLU A 463 85.917 -4.769 10.251 1.00 0.00 O ATOM 409 CB GLU A 463 84.252 -7.604 9.835 1.00 0.00 C ATOM 410 CG GLU A 463 83.323 -7.732 8.639 1.00 0.00 C ATOM 411 CD GLU A 463 81.931 -7.203 8.922 1.00 0.00 C ATOM 412 OE1 GLU A 463 81.177 -6.966 7.954 1.00 0.00 O ATOM 413 OE2 GLU A 463 81.592 -7.025 10.111 1.00 0.00 O ATOM 0 H GLU A 463 87.558 -7.802 9.718 1.00 0.00 H new ATOM 0 HA GLU A 463 85.573 -6.555 8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 463 84.386 -8.586 10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 463 83.781 -6.969 10.585 1.00 0.00 H new ATOM 0 HG2 GLU A 463 83.748 -7.191 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 463 83.257 -8.780 8.346 1.00 0.00 H new ATOM 420 N PRO A 464 86.462 -6.404 11.699 1.00 0.00 N ATOM 421 CA PRO A 464 86.864 -5.498 12.776 1.00 0.00 C ATOM 422 C PRO A 464 87.709 -4.326 12.282 1.00 0.00 C ATOM 423 O PRO A 464 87.721 -3.260 12.898 1.00 0.00 O ATOM 424 CB PRO A 464 87.683 -6.401 13.694 1.00 0.00 C ATOM 425 CG PRO A 464 87.076 -7.751 13.520 1.00 0.00 C ATOM 426 CD PRO A 464 86.603 -7.820 12.090 1.00 0.00 C ATOM 0 HA PRO A 464 86.005 -5.031 13.258 1.00 0.00 H new ATOM 0 HB2 PRO A 464 88.737 -6.400 13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 464 87.627 -6.070 14.731 1.00 0.00 H new ATOM 0 HG2 PRO A 464 87.805 -8.535 13.727 1.00 0.00 H new ATOM 0 HG3 PRO A 464 86.246 -7.897 14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 464 87.320 -8.341 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 464 85.657 -8.354 12.007 1.00 0.00 H new ATOM 434 N LEU A 465 88.414 -4.524 11.172 1.00 0.00 N ATOM 435 CA LEU A 465 89.255 -3.472 10.610 1.00 0.00 C ATOM 436 C LEU A 465 88.581 -2.109 10.766 1.00 0.00 C ATOM 437 O LEU A 465 87.737 -1.728 9.955 1.00 0.00 O ATOM 438 CB LEU A 465 89.550 -3.749 9.133 1.00 0.00 C ATOM 439 CG LEU A 465 91.030 -3.687 8.747 1.00 0.00 C ATOM 440 CD1 LEU A 465 91.363 -4.764 7.725 1.00 0.00 C ATOM 441 CD2 LEU A 465 91.383 -2.310 8.205 1.00 0.00 C ATOM 0 H LEU A 465 88.420 -5.398 10.646 1.00 0.00 H new ATOM 0 HA LEU A 465 90.198 -3.461 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 465 89.165 -4.737 8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 465 89.001 -3.028 8.527 1.00 0.00 H new ATOM 0 HG LEU A 465 91.625 -3.868 9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 465 92.419 -4.703 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 465 91.150 -5.746 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 465 90.759 -4.616 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 465 92.439 -2.285 7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 465 90.778 -2.100 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 465 91.185 -1.557 8.968 1.00 0.00 H new ATOM 453 N PRO A 466 88.942 -1.359 11.821 1.00 0.00 N ATOM 454 CA PRO A 466 88.365 -0.036 12.095 1.00 0.00 C ATOM 455 C PRO A 466 88.493 0.921 10.915 1.00 0.00 C ATOM 456 O PRO A 466 87.555 1.650 10.592 1.00 0.00 O ATOM 457 CB PRO A 466 89.178 0.482 13.291 1.00 0.00 C ATOM 458 CG PRO A 466 90.368 -0.415 13.383 1.00 0.00 C ATOM 459 CD PRO A 466 89.931 -1.740 12.837 1.00 0.00 C ATOM 0 HA PRO A 466 87.295 -0.104 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 466 89.479 1.519 13.141 1.00 0.00 H new ATOM 0 HB3 PRO A 466 88.590 0.450 14.208 1.00 0.00 H new ATOM 0 HG2 PRO A 466 91.204 -0.014 12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 466 90.705 -0.511 14.415 1.00 0.00 H new ATOM 0 HD2 PRO A 466 90.764 -2.294 12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 466 89.495 -2.373 13.610 1.00 0.00 H new ATOM 467 N GLY A 467 89.656 0.919 10.275 1.00 0.00 N ATOM 468 CA GLY A 467 89.875 1.796 9.140 1.00 0.00 C ATOM 469 C GLY A 467 91.336 2.159 8.958 1.00 0.00 C ATOM 470 O GLY A 467 92.203 1.645 9.664 1.00 0.00 O ATOM 0 H GLY A 467 90.450 0.327 10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 467 89.509 1.311 8.235 1.00 0.00 H new ATOM 0 HA3 GLY A 467 89.292 2.707 9.272 1.00 0.00 H new ATOM 474 N ARG A 468 91.603 3.050 8.010 1.00 0.00 N ATOM 475 CA ARG A 468 92.964 3.492 7.732 1.00 0.00 C ATOM 476 C ARG A 468 93.583 4.180 8.946 1.00 0.00 C ATOM 477 O ARG A 468 94.760 3.981 9.253 1.00 0.00 O ATOM 478 CB ARG A 468 92.970 4.444 6.535 1.00 0.00 C ATOM 479 CG ARG A 468 91.883 5.506 6.601 1.00 0.00 C ATOM 480 CD ARG A 468 90.989 5.469 5.371 1.00 0.00 C ATOM 481 NE ARG A 468 89.762 6.238 5.564 1.00 0.00 N ATOM 482 CZ ARG A 468 88.803 6.335 4.649 1.00 0.00 C ATOM 483 NH1 ARG A 468 88.929 5.715 3.484 1.00 0.00 N ATOM 484 NH2 ARG A 468 87.714 7.050 4.900 1.00 0.00 N ATOM 0 H ARG A 468 90.892 3.482 7.419 1.00 0.00 H new ATOM 0 HA ARG A 468 93.563 2.612 7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 468 93.942 4.933 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 468 92.847 3.865 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 468 91.279 5.354 7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 468 92.341 6.491 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 468 91.534 5.865 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 468 90.736 4.435 5.137 1.00 0.00 H new ATOM 0 HE ARG A 468 89.634 6.727 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 468 89.763 5.162 3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 468 88.192 5.791 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 468 87.612 7.526 5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 468 86.979 7.124 4.197 1.00 0.00 H new ATOM 498 N LYS A 469 92.788 5.000 9.623 1.00 0.00 N ATOM 499 CA LYS A 469 93.257 5.733 10.795 1.00 0.00 C ATOM 500 C LYS A 469 93.687 4.791 11.917 1.00 0.00 C ATOM 501 O LYS A 469 94.725 4.997 12.548 1.00 0.00 O ATOM 502 CB LYS A 469 92.162 6.676 11.301 1.00 0.00 C ATOM 503 CG LYS A 469 90.790 6.028 11.385 1.00 0.00 C ATOM 504 CD LYS A 469 89.808 6.898 12.152 1.00 0.00 C ATOM 505 CE LYS A 469 90.241 7.082 13.598 1.00 0.00 C ATOM 506 NZ LYS A 469 89.147 6.752 14.553 1.00 0.00 N ATOM 0 H LYS A 469 91.813 5.175 9.380 1.00 0.00 H new ATOM 0 HA LYS A 469 94.128 6.314 10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 469 92.441 7.046 12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 469 92.106 7.541 10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 469 90.410 5.848 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 469 90.875 5.057 11.872 1.00 0.00 H new ATOM 0 HD2 LYS A 469 89.727 7.871 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 469 88.817 6.444 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 469 91.104 6.448 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 469 90.559 8.113 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 469 89.483 6.891 15.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 469 88.332 7.374 14.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 469 88.860 5.761 14.423 1.00 0.00 H new ATOM 520 N GLN A 470 92.882 3.766 12.170 1.00 0.00 N ATOM 521 CA GLN A 470 93.181 2.807 13.228 1.00 0.00 C ATOM 522 C GLN A 470 94.283 1.838 12.809 1.00 0.00 C ATOM 523 O GLN A 470 95.191 1.548 13.587 1.00 0.00 O ATOM 524 CB GLN A 470 91.921 2.033 13.613 1.00 0.00 C ATOM 525 CG GLN A 470 91.044 2.759 14.620 1.00 0.00 C ATOM 526 CD GLN A 470 91.752 3.006 15.938 1.00 0.00 C ATOM 527 OE1 GLN A 470 92.469 2.140 16.442 1.00 0.00 O ATOM 528 NE2 GLN A 470 91.555 4.190 16.504 1.00 0.00 N ATOM 0 H GLN A 470 92.020 3.577 11.659 1.00 0.00 H new ATOM 0 HA GLN A 470 93.537 3.367 14.093 1.00 0.00 H new ATOM 0 HB2 GLN A 470 91.338 1.834 12.714 1.00 0.00 H new ATOM 0 HB3 GLN A 470 92.210 1.067 14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 470 90.726 3.712 14.198 1.00 0.00 H new ATOM 0 HG3 GLN A 470 90.143 2.173 14.800 1.00 0.00 H new ATOM 0 HE21 GLN A 470 90.953 4.878 16.051 1.00 0.00 H new ATOM 0 HE22 GLN A 470 92.006 4.412 17.392 1.00 0.00 H new ATOM 537 N VAL A 471 94.202 1.337 11.580 1.00 0.00 N ATOM 538 CA VAL A 471 95.201 0.400 11.079 1.00 0.00 C ATOM 539 C VAL A 471 96.566 1.071 10.951 1.00 0.00 C ATOM 540 O VAL A 471 97.590 0.506 11.349 1.00 0.00 O ATOM 541 CB VAL A 471 94.795 -0.184 9.712 1.00 0.00 C ATOM 542 CG1 VAL A 471 95.931 -1.004 9.121 1.00 0.00 C ATOM 543 CG2 VAL A 471 93.534 -1.025 9.846 1.00 0.00 C ATOM 0 H VAL A 471 93.460 1.562 10.917 1.00 0.00 H new ATOM 0 HA VAL A 471 95.264 -0.412 11.804 1.00 0.00 H new ATOM 0 HB VAL A 471 94.584 0.642 9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 471 95.625 -1.408 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 471 96.807 -0.369 8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 471 96.177 -1.824 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 471 93.261 -1.430 8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 471 93.715 -1.845 10.541 1.00 0.00 H new ATOM 0 HG23 VAL A 471 92.721 -0.404 10.221 1.00 0.00 H new ATOM 553 N ARG A 472 96.573 2.285 10.401 1.00 0.00 N ATOM 554 CA ARG A 472 97.809 3.039 10.227 1.00 0.00 C ATOM 555 C ARG A 472 98.444 3.362 11.576 1.00 0.00 C ATOM 556 O ARG A 472 99.651 3.198 11.760 1.00 0.00 O ATOM 557 CB ARG A 472 97.544 4.330 9.447 1.00 0.00 C ATOM 558 CG ARG A 472 96.885 5.422 10.273 1.00 0.00 C ATOM 559 CD ARG A 472 96.440 6.586 9.400 1.00 0.00 C ATOM 560 NE ARG A 472 97.520 7.076 8.548 1.00 0.00 N ATOM 561 CZ ARG A 472 97.505 8.263 7.946 1.00 0.00 C ATOM 562 NH1 ARG A 472 96.469 9.075 8.104 1.00 0.00 N ATOM 563 NH2 ARG A 472 98.525 8.636 7.185 1.00 0.00 N ATOM 0 H ARG A 472 95.736 2.765 10.069 1.00 0.00 H new ATOM 0 HA ARG A 472 98.504 2.421 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 472 98.488 4.706 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 472 96.909 4.102 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 472 96.024 5.012 10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 472 97.583 5.779 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 472 95.602 6.273 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 472 96.081 7.397 10.033 1.00 0.00 H new ATOM 0 HE ARG A 472 98.332 6.475 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 472 95.682 8.790 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 472 96.459 9.984 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 472 99.323 8.013 7.060 1.00 0.00 H new ATOM 0 HH22 ARG A 472 98.512 9.546 6.724 1.00 0.00 H new ATOM 577 N ASP A 473 97.623 3.814 12.521 1.00 0.00 N ATOM 578 CA ASP A 473 98.110 4.149 13.855 1.00 0.00 C ATOM 579 C ASP A 473 98.618 2.899 14.563 1.00 0.00 C ATOM 580 O ASP A 473 99.566 2.956 15.346 1.00 0.00 O ATOM 581 CB ASP A 473 97.001 4.806 14.680 1.00 0.00 C ATOM 582 CG ASP A 473 97.166 6.312 14.779 1.00 0.00 C ATOM 583 OD1 ASP A 473 97.248 6.971 13.721 1.00 0.00 O ATOM 584 OD2 ASP A 473 97.212 6.830 15.915 1.00 0.00 O ATOM 0 H ASP A 473 96.622 3.956 12.388 1.00 0.00 H new ATOM 0 HA ASP A 473 98.934 4.855 13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 473 96.034 4.578 14.231 1.00 0.00 H new ATOM 0 HB3 ASP A 473 96.995 4.377 15.682 1.00 0.00 H new ATOM 589 N THR A 474 97.984 1.768 14.272 1.00 0.00 N ATOM 590 CA THR A 474 98.373 0.497 14.868 1.00 0.00 C ATOM 591 C THR A 474 99.764 0.086 14.403 1.00 0.00 C ATOM 592 O THR A 474 100.755 0.292 15.106 1.00 0.00 O ATOM 593 CB THR A 474 97.380 -0.624 14.505 1.00 0.00 C ATOM 594 OG1 THR A 474 96.647 -0.301 13.320 1.00 0.00 O ATOM 595 CG2 THR A 474 96.387 -0.867 15.629 1.00 0.00 C ATOM 0 H THR A 474 97.197 1.707 13.626 1.00 0.00 H new ATOM 0 HA THR A 474 98.371 0.639 15.949 1.00 0.00 H new ATOM 0 HB THR A 474 97.972 -1.524 14.338 1.00 0.00 H new ATOM 0 HG1 THR A 474 95.914 0.309 13.545 1.00 0.00 H new ATOM 0 HG21 THR A 474 95.700 -1.663 15.342 1.00 0.00 H new ATOM 0 HG22 THR A 474 96.924 -1.158 16.532 1.00 0.00 H new ATOM 0 HG23 THR A 474 95.824 0.046 15.821 1.00 0.00 H new ATOM 603 N LEU A 475 99.830 -0.511 13.217 1.00 0.00 N ATOM 604 CA LEU A 475 101.101 -0.963 12.668 1.00 0.00 C ATOM 605 C LEU A 475 102.191 0.083 12.884 1.00 0.00 C ATOM 606 O LEU A 475 103.326 -0.254 13.224 1.00 0.00 O ATOM 607 CB LEU A 475 100.962 -1.273 11.177 1.00 0.00 C ATOM 608 CG LEU A 475 100.288 -0.180 10.345 1.00 0.00 C ATOM 609 CD1 LEU A 475 101.324 0.606 9.558 1.00 0.00 C ATOM 610 CD2 LEU A 475 99.255 -0.788 9.408 1.00 0.00 C ATOM 0 H LEU A 475 99.022 -0.692 12.621 1.00 0.00 H new ATOM 0 HA LEU A 475 101.388 -1.874 13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 475 101.955 -1.460 10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 475 100.392 -2.196 11.066 1.00 0.00 H new ATOM 0 HG LEU A 475 99.779 0.506 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 475 100.826 1.379 8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 475 102.029 1.071 10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 475 101.860 -0.067 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 475 98.784 0.002 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 475 99.744 -1.494 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 475 98.496 -1.308 9.992 1.00 0.00 H new ATOM 622 N ALA A 476 101.842 1.353 12.694 1.00 0.00 N ATOM 623 CA ALA A 476 102.803 2.435 12.882 1.00 0.00 C ATOM 624 C ALA A 476 103.161 2.590 14.356 1.00 0.00 C ATOM 625 O ALA A 476 104.243 3.068 14.696 1.00 0.00 O ATOM 626 CB ALA A 476 102.266 3.746 12.329 1.00 0.00 C ATOM 0 H ALA A 476 100.910 1.656 12.413 1.00 0.00 H new ATOM 0 HA ALA A 476 103.707 2.176 12.330 1.00 0.00 H new ATOM 0 HB1 ALA A 476 103.003 4.535 12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 476 102.068 3.637 11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 476 101.342 4.007 12.845 1.00 0.00 H new ATOM 632 N ALA A 477 102.244 2.180 15.226 1.00 0.00 N ATOM 633 CA ALA A 477 102.461 2.268 16.663 1.00 0.00 C ATOM 634 C ALA A 477 103.473 1.227 17.119 1.00 0.00 C ATOM 635 O ALA A 477 104.180 1.422 18.108 1.00 0.00 O ATOM 636 CB ALA A 477 101.154 2.099 17.425 1.00 0.00 C ATOM 0 H ALA A 477 101.343 1.783 14.959 1.00 0.00 H new ATOM 0 HA ALA A 477 102.858 3.260 16.880 1.00 0.00 H new ATOM 0 HB1 ALA A 477 101.345 2.169 18.496 1.00 0.00 H new ATOM 0 HB2 ALA A 477 100.456 2.882 17.129 1.00 0.00 H new ATOM 0 HB3 ALA A 477 100.723 1.124 17.197 1.00 0.00 H new ATOM 642 N ILE A 478 103.541 0.119 16.387 1.00 0.00 N ATOM 643 CA ILE A 478 104.473 -0.954 16.715 1.00 0.00 C ATOM 644 C ILE A 478 105.888 -0.600 16.265 1.00 0.00 C ATOM 645 O ILE A 478 106.869 -0.997 16.894 1.00 0.00 O ATOM 646 CB ILE A 478 104.044 -2.290 16.068 1.00 0.00 C ATOM 647 CG1 ILE A 478 102.852 -2.883 16.822 1.00 0.00 C ATOM 648 CG2 ILE A 478 105.200 -3.282 16.046 1.00 0.00 C ATOM 649 CD1 ILE A 478 101.575 -2.086 16.663 1.00 0.00 C ATOM 0 H ILE A 478 102.964 -0.059 15.565 1.00 0.00 H new ATOM 0 HA ILE A 478 104.461 -1.073 17.798 1.00 0.00 H new ATOM 0 HB ILE A 478 103.748 -2.090 15.038 1.00 0.00 H new ATOM 0 HG12 ILE A 478 102.681 -3.901 16.471 1.00 0.00 H new ATOM 0 HG13 ILE A 478 103.100 -2.949 17.881 1.00 0.00 H new ATOM 0 HG21 ILE A 478 104.871 -4.214 15.586 1.00 0.00 H new ATOM 0 HG22 ILE A 478 106.027 -2.865 15.471 1.00 0.00 H new ATOM 0 HG23 ILE A 478 105.531 -3.478 17.066 1.00 0.00 H new ATOM 0 HD11 ILE A 478 100.774 -2.566 17.225 1.00 0.00 H new ATOM 0 HD12 ILE A 478 101.728 -1.075 17.041 1.00 0.00 H new ATOM 0 HD13 ILE A 478 101.303 -2.042 15.609 1.00 0.00 H new ATOM 661 N SER A 479 105.985 0.152 15.173 1.00 0.00 N ATOM 662 CA SER A 479 107.278 0.565 14.639 1.00 0.00 C ATOM 663 C SER A 479 107.105 1.658 13.588 1.00 0.00 C ATOM 664 O SER A 479 105.993 1.929 13.137 1.00 0.00 O ATOM 665 CB SER A 479 108.011 -0.633 14.032 1.00 0.00 C ATOM 666 OG SER A 479 108.321 -1.597 15.025 1.00 0.00 O ATOM 0 H SER A 479 105.183 0.488 14.640 1.00 0.00 H new ATOM 0 HA SER A 479 107.873 0.965 15.460 1.00 0.00 H new ATOM 0 HB2 SER A 479 107.392 -1.088 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 479 108.928 -0.296 13.549 1.00 0.00 H new ATOM 0 HG SER A 479 108.114 -1.232 15.911 1.00 0.00 H new ATOM 672 N GLU A 480 108.212 2.286 13.204 1.00 0.00 N ATOM 673 CA GLU A 480 108.176 3.352 12.209 1.00 0.00 C ATOM 674 C GLU A 480 107.917 2.790 10.814 1.00 0.00 C ATOM 675 O GLU A 480 108.808 2.215 10.188 1.00 0.00 O ATOM 676 CB GLU A 480 109.489 4.138 12.218 1.00 0.00 C ATOM 677 CG GLU A 480 109.537 5.252 11.185 1.00 0.00 C ATOM 678 CD GLU A 480 110.374 6.432 11.638 1.00 0.00 C ATOM 679 OE1 GLU A 480 111.601 6.414 11.405 1.00 0.00 O ATOM 680 OE2 GLU A 480 109.803 7.375 12.225 1.00 0.00 O ATOM 0 H GLU A 480 109.142 2.076 13.565 1.00 0.00 H new ATOM 0 HA GLU A 480 107.358 4.024 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 480 109.640 4.566 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 480 110.316 3.451 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 480 109.943 4.860 10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 480 108.523 5.591 10.974 1.00 0.00 H new ATOM 687 N VAL A 481 106.692 2.967 10.330 1.00 0.00 N ATOM 688 CA VAL A 481 106.314 2.486 9.007 1.00 0.00 C ATOM 689 C VAL A 481 106.422 3.600 7.975 1.00 0.00 C ATOM 690 O VAL A 481 106.316 4.780 8.311 1.00 0.00 O ATOM 691 CB VAL A 481 104.879 1.929 8.997 1.00 0.00 C ATOM 692 CG1 VAL A 481 104.798 0.647 9.810 1.00 0.00 C ATOM 693 CG2 VAL A 481 103.898 2.966 9.522 1.00 0.00 C ATOM 0 H VAL A 481 105.943 3.441 10.835 1.00 0.00 H new ATOM 0 HA VAL A 481 107.005 1.683 8.751 1.00 0.00 H new ATOM 0 HB VAL A 481 104.607 1.696 7.967 1.00 0.00 H new ATOM 0 HG11 VAL A 481 103.776 0.268 9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 481 105.469 -0.098 9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 481 105.091 0.850 10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 481 102.889 2.553 9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 481 104.165 3.235 10.544 1.00 0.00 H new ATOM 0 HG23 VAL A 481 103.936 3.854 8.892 1.00 0.00 H new ATOM 703 N LEU A 482 106.634 3.223 6.720 1.00 0.00 N ATOM 704 CA LEU A 482 106.757 4.201 5.648 1.00 0.00 C ATOM 705 C LEU A 482 105.388 4.707 5.210 1.00 0.00 C ATOM 706 O LEU A 482 105.019 5.846 5.497 1.00 0.00 O ATOM 707 CB LEU A 482 107.501 3.603 4.453 1.00 0.00 C ATOM 708 CG LEU A 482 108.437 4.574 3.729 1.00 0.00 C ATOM 709 CD1 LEU A 482 109.081 3.906 2.525 1.00 0.00 C ATOM 710 CD2 LEU A 482 107.679 5.823 3.307 1.00 0.00 C ATOM 0 H LEU A 482 106.724 2.252 6.421 1.00 0.00 H new ATOM 0 HA LEU A 482 107.330 5.045 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 482 108.083 2.747 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 482 106.769 3.225 3.739 1.00 0.00 H new ATOM 0 HG LEU A 482 109.230 4.866 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 482 109.742 4.615 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 482 109.658 3.042 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 482 108.306 3.582 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 482 108.357 6.504 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 482 106.866 5.546 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 482 107.269 6.315 4.189 1.00 0.00 H new ATOM 722 N TYR A 483 104.639 3.863 4.506 1.00 0.00 N ATOM 723 CA TYR A 483 103.315 4.253 4.029 1.00 0.00 C ATOM 724 C TYR A 483 102.328 3.091 4.070 1.00 0.00 C ATOM 725 O TYR A 483 102.626 1.994 3.606 1.00 0.00 O ATOM 726 CB TYR A 483 103.405 4.803 2.605 1.00 0.00 C ATOM 727 CG TYR A 483 102.057 5.064 1.971 1.00 0.00 C ATOM 728 CD1 TYR A 483 101.593 6.361 1.788 1.00 0.00 C ATOM 729 CD2 TYR A 483 101.248 4.013 1.559 1.00 0.00 C ATOM 730 CE1 TYR A 483 100.359 6.601 1.210 1.00 0.00 C ATOM 731 CE2 TYR A 483 100.015 4.246 0.982 1.00 0.00 C ATOM 732 CZ TYR A 483 99.576 5.541 0.810 1.00 0.00 C ATOM 733 OH TYR A 483 98.348 5.774 0.234 1.00 0.00 O ATOM 0 H TYR A 483 104.921 2.915 4.255 1.00 0.00 H new ATOM 0 HA TYR A 483 102.946 5.029 4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 483 103.977 5.731 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 483 103.958 4.097 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 483 102.205 7.194 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 483 101.589 2.997 1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 483 100.012 7.614 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 483 99.398 3.417 0.667 1.00 0.00 H new ATOM 0 HH TYR A 483 97.925 4.919 0.009 1.00 0.00 H new ATOM 743 N VAL A 484 101.143 3.348 4.619 1.00 0.00 N ATOM 744 CA VAL A 484 100.104 2.329 4.712 1.00 0.00 C ATOM 745 C VAL A 484 99.132 2.436 3.542 1.00 0.00 C ATOM 746 O VAL A 484 98.486 3.467 3.351 1.00 0.00 O ATOM 747 CB VAL A 484 99.317 2.447 6.029 1.00 0.00 C ATOM 748 CG1 VAL A 484 98.853 3.879 6.247 1.00 0.00 C ATOM 749 CG2 VAL A 484 98.135 1.490 6.033 1.00 0.00 C ATOM 0 H VAL A 484 100.880 4.254 5.006 1.00 0.00 H new ATOM 0 HA VAL A 484 100.604 1.361 4.684 1.00 0.00 H new ATOM 0 HB VAL A 484 99.978 2.174 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 484 98.298 3.943 7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 484 99.719 4.539 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 484 98.209 4.182 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 484 97.591 1.588 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 484 97.471 1.729 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 484 98.495 0.467 5.927 1.00 0.00 H new ATOM 759 N ASP A 485 99.039 1.369 2.754 1.00 0.00 N ATOM 760 CA ASP A 485 98.153 1.350 1.594 1.00 0.00 C ATOM 761 C ASP A 485 96.829 0.656 1.910 1.00 0.00 C ATOM 762 O ASP A 485 96.807 -0.440 2.466 1.00 0.00 O ATOM 763 CB ASP A 485 98.836 0.654 0.415 1.00 0.00 C ATOM 764 CG ASP A 485 98.195 1.009 -0.913 1.00 0.00 C ATOM 765 OD1 ASP A 485 98.938 1.341 -1.861 1.00 0.00 O ATOM 766 OD2 ASP A 485 96.951 0.956 -1.004 1.00 0.00 O ATOM 0 H ASP A 485 99.565 0.507 2.897 1.00 0.00 H new ATOM 0 HA ASP A 485 97.937 2.385 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 485 99.890 0.932 0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 485 98.794 -0.426 0.559 1.00 0.00 H new ATOM 771 N LEU A 486 95.730 1.303 1.541 1.00 0.00 N ATOM 772 CA LEU A 486 94.396 0.753 1.771 1.00 0.00 C ATOM 773 C LEU A 486 93.619 0.691 0.462 1.00 0.00 C ATOM 774 O LEU A 486 93.464 1.705 -0.220 1.00 0.00 O ATOM 775 CB LEU A 486 93.640 1.613 2.786 1.00 0.00 C ATOM 776 CG LEU A 486 93.384 0.947 4.139 1.00 0.00 C ATOM 777 CD1 LEU A 486 94.405 1.417 5.163 1.00 0.00 C ATOM 778 CD2 LEU A 486 91.970 1.244 4.617 1.00 0.00 C ATOM 0 H LEU A 486 95.735 2.213 1.079 1.00 0.00 H new ATOM 0 HA LEU A 486 94.498 -0.257 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 486 94.203 2.531 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 486 92.682 1.900 2.353 1.00 0.00 H new ATOM 0 HG LEU A 486 93.488 -0.132 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 486 94.209 0.934 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 486 95.407 1.156 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 486 94.331 2.498 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 486 91.803 0.763 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 486 91.840 2.321 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 486 91.253 0.861 3.891 1.00 0.00 H new ATOM 790 N LEU A 487 93.137 -0.497 0.099 1.00 0.00 N ATOM 791 CA LEU A 487 92.389 -0.658 -1.145 1.00 0.00 C ATOM 792 C LEU A 487 90.945 -0.185 -0.989 1.00 0.00 C ATOM 793 O LEU A 487 90.117 -0.870 -0.389 1.00 0.00 O ATOM 794 CB LEU A 487 92.410 -2.121 -1.594 1.00 0.00 C ATOM 795 CG LEU A 487 93.581 -2.508 -2.503 1.00 0.00 C ATOM 796 CD1 LEU A 487 93.561 -4.001 -2.793 1.00 0.00 C ATOM 797 CD2 LEU A 487 93.539 -1.712 -3.800 1.00 0.00 C ATOM 0 H LEU A 487 93.250 -1.353 0.642 1.00 0.00 H new ATOM 0 HA LEU A 487 92.871 -0.042 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 487 92.433 -2.756 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 487 91.478 -2.337 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 487 94.510 -2.270 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 487 94.400 -4.257 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 487 93.642 -4.554 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 487 92.627 -4.263 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 487 94.379 -2.001 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 487 92.604 -1.917 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 487 93.604 -0.647 -3.576 1.00 0.00 H new ATOM 809 N GLU A 488 90.651 0.986 -1.545 1.00 0.00 N ATOM 810 CA GLU A 488 89.309 1.554 -1.486 1.00 0.00 C ATOM 811 C GLU A 488 88.747 1.516 -0.067 1.00 0.00 C ATOM 812 O GLU A 488 87.542 1.355 0.127 1.00 0.00 O ATOM 813 CB GLU A 488 88.375 0.802 -2.435 1.00 0.00 C ATOM 814 CG GLU A 488 87.289 1.678 -3.042 1.00 0.00 C ATOM 815 CD GLU A 488 85.965 0.952 -3.174 1.00 0.00 C ATOM 816 OE1 GLU A 488 84.990 1.368 -2.513 1.00 0.00 O ATOM 817 OE2 GLU A 488 85.902 -0.033 -3.940 1.00 0.00 O ATOM 0 H GLU A 488 91.328 1.563 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 488 89.377 2.597 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 488 88.965 0.361 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 488 87.907 -0.021 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 488 87.153 2.565 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 488 87.611 2.022 -4.025 1.00 0.00 H new ATOM 824 N GLY A 489 89.622 1.668 0.921 1.00 0.00 N ATOM 825 CA GLY A 489 89.184 1.654 2.306 1.00 0.00 C ATOM 826 C GLY A 489 88.634 0.308 2.731 1.00 0.00 C ATOM 827 O GLY A 489 88.012 0.191 3.788 1.00 0.00 O ATOM 0 H GLY A 489 90.625 1.800 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 489 90.022 1.920 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 489 88.418 2.416 2.448 1.00 0.00 H new ATOM 831 N ASP A 490 88.862 -0.709 1.911 1.00 0.00 N ATOM 832 CA ASP A 490 88.386 -2.054 2.212 1.00 0.00 C ATOM 833 C ASP A 490 89.024 -2.580 3.493 1.00 0.00 C ATOM 834 O ASP A 490 89.522 -1.807 4.311 1.00 0.00 O ATOM 835 CB ASP A 490 88.701 -2.992 1.047 1.00 0.00 C ATOM 836 CG ASP A 490 87.638 -4.056 0.856 1.00 0.00 C ATOM 837 OD1 ASP A 490 87.324 -4.765 1.835 1.00 0.00 O ATOM 838 OD2 ASP A 490 87.120 -4.181 -0.274 1.00 0.00 O ATOM 0 H ASP A 490 89.373 -0.629 1.032 1.00 0.00 H new ATOM 0 HA ASP A 490 87.307 -2.013 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 490 88.796 -2.409 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 490 89.664 -3.472 1.221 1.00 0.00 H new ATOM 843 N THR A 491 89.009 -3.898 3.660 1.00 0.00 N ATOM 844 CA THR A 491 89.590 -4.527 4.840 1.00 0.00 C ATOM 845 C THR A 491 90.976 -5.081 4.533 1.00 0.00 C ATOM 846 O THR A 491 91.534 -5.852 5.314 1.00 0.00 O ATOM 847 CB THR A 491 88.701 -5.668 5.367 1.00 0.00 C ATOM 848 OG1 THR A 491 88.457 -6.654 4.353 1.00 0.00 O ATOM 849 CG2 THR A 491 87.363 -5.133 5.857 1.00 0.00 C ATOM 0 H THR A 491 88.600 -4.552 2.992 1.00 0.00 H new ATOM 0 HA THR A 491 89.666 -3.755 5.606 1.00 0.00 H new ATOM 0 HB THR A 491 89.238 -6.130 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 491 87.891 -7.366 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 491 86.753 -5.959 6.224 1.00 0.00 H new ATOM 0 HG22 THR A 491 87.530 -4.419 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 491 86.846 -4.638 5.035 1.00 0.00 H new ATOM 857 N GLU A 492 91.522 -4.691 3.386 1.00 0.00 N ATOM 858 CA GLU A 492 92.838 -5.156 2.973 1.00 0.00 C ATOM 859 C GLU A 492 93.782 -3.982 2.722 1.00 0.00 C ATOM 860 O GLU A 492 93.607 -3.217 1.769 1.00 0.00 O ATOM 861 CB GLU A 492 92.722 -6.015 1.711 1.00 0.00 C ATOM 862 CG GLU A 492 91.579 -7.015 1.763 1.00 0.00 C ATOM 863 CD GLU A 492 90.735 -7.007 0.503 1.00 0.00 C ATOM 864 OE1 GLU A 492 90.349 -5.907 0.054 1.00 0.00 O ATOM 865 OE2 GLU A 492 90.461 -8.100 -0.035 1.00 0.00 O ATOM 0 H GLU A 492 91.073 -4.055 2.727 1.00 0.00 H new ATOM 0 HA GLU A 492 93.252 -5.760 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 492 92.585 -5.363 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 492 93.658 -6.552 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 492 91.984 -8.015 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 492 90.945 -6.791 2.621 1.00 0.00 H new ATOM 872 N CYS A 493 94.780 -3.845 3.589 1.00 0.00 N ATOM 873 CA CYS A 493 95.758 -2.768 3.473 1.00 0.00 C ATOM 874 C CYS A 493 97.176 -3.334 3.485 1.00 0.00 C ATOM 875 O CYS A 493 97.469 -4.263 4.230 1.00 0.00 O ATOM 876 CB CYS A 493 95.586 -1.764 4.617 1.00 0.00 C ATOM 877 SG CYS A 493 94.154 -2.071 5.681 1.00 0.00 S ATOM 0 H CYS A 493 94.933 -4.468 4.382 1.00 0.00 H new ATOM 0 HA CYS A 493 95.592 -2.254 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 493 96.487 -1.775 5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 493 95.500 -0.763 4.194 1.00 0.00 H new ATOM 0 HG CYS A 493 94.541 -2.673 6.766 1.00 0.00 H new ATOM 883 N HIS A 494 98.055 -2.767 2.666 1.00 0.00 N ATOM 884 CA HIS A 494 99.440 -3.225 2.599 1.00 0.00 C ATOM 885 C HIS A 494 100.402 -2.097 2.964 1.00 0.00 C ATOM 886 O HIS A 494 100.642 -1.191 2.166 1.00 0.00 O ATOM 887 CB HIS A 494 99.760 -3.747 1.197 1.00 0.00 C ATOM 888 CG HIS A 494 98.964 -4.955 0.808 1.00 0.00 C ATOM 889 ND1 HIS A 494 97.590 -5.020 0.925 1.00 0.00 N ATOM 890 CD2 HIS A 494 99.354 -6.148 0.301 1.00 0.00 C ATOM 891 CE1 HIS A 494 97.172 -6.201 0.508 1.00 0.00 C ATOM 892 NE2 HIS A 494 98.221 -6.903 0.123 1.00 0.00 N ATOM 0 H HIS A 494 97.835 -1.992 2.041 1.00 0.00 H new ATOM 0 HA HIS A 494 99.564 -4.035 3.318 1.00 0.00 H new ATOM 0 HB2 HIS A 494 99.577 -2.953 0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 494 100.821 -3.989 1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 494 100.367 -6.450 0.078 1.00 0.00 H new ATOM 0 HE1 HIS A 494 96.145 -6.536 0.486 1.00 0.00 H new ATOM 0 HE2 HIS A 494 98.194 -7.853 -0.247 1.00 0.00 H new ATOM 901 N ALA A 495 100.939 -2.150 4.180 1.00 0.00 N ATOM 902 CA ALA A 495 101.861 -1.124 4.653 1.00 0.00 C ATOM 903 C ALA A 495 103.292 -1.389 4.191 1.00 0.00 C ATOM 904 O ALA A 495 103.832 -2.477 4.390 1.00 0.00 O ATOM 905 CB ALA A 495 101.815 -1.019 6.170 1.00 0.00 C ATOM 0 H ALA A 495 100.751 -2.892 4.854 1.00 0.00 H new ATOM 0 HA ALA A 495 101.539 -0.177 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 495 102.510 -0.248 6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 495 100.805 -0.758 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 495 102.097 -1.976 6.610 1.00 0.00 H new ATOM 911 N ARG A 496 103.901 -0.376 3.580 1.00 0.00 N ATOM 912 CA ARG A 496 105.273 -0.473 3.092 1.00 0.00 C ATOM 913 C ARG A 496 106.255 -0.039 4.175 1.00 0.00 C ATOM 914 O ARG A 496 106.093 1.023 4.782 1.00 0.00 O ATOM 915 CB ARG A 496 105.455 0.399 1.849 1.00 0.00 C ATOM 916 CG ARG A 496 104.146 0.895 1.256 1.00 0.00 C ATOM 917 CD ARG A 496 104.272 1.163 -0.233 1.00 0.00 C ATOM 918 NE ARG A 496 103.118 1.890 -0.754 1.00 0.00 N ATOM 919 CZ ARG A 496 103.026 3.216 -0.771 1.00 0.00 C ATOM 920 NH1 ARG A 496 104.022 3.961 -0.311 1.00 0.00 N ATOM 921 NH2 ARG A 496 101.936 3.799 -1.251 1.00 0.00 N ATOM 0 H ARG A 496 103.461 0.528 3.410 1.00 0.00 H new ATOM 0 HA ARG A 496 105.473 -1.512 2.831 1.00 0.00 H new ATOM 0 HB2 ARG A 496 106.076 1.257 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 496 105.994 -0.170 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 496 103.365 0.155 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 496 103.838 1.808 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 496 105.179 1.737 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 496 104.376 0.217 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 496 102.337 1.349 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 496 104.863 3.517 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 496 103.947 4.978 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 496 101.168 3.230 -1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 496 101.865 4.816 -1.264 1.00 0.00 H new ATOM 935 N PHE A 497 107.270 -0.866 4.419 1.00 0.00 N ATOM 936 CA PHE A 497 108.272 -0.568 5.438 1.00 0.00 C ATOM 937 C PHE A 497 109.616 -0.209 4.814 1.00 0.00 C ATOM 938 O PHE A 497 109.964 -0.689 3.736 1.00 0.00 O ATOM 939 CB PHE A 497 108.436 -1.760 6.382 1.00 0.00 C ATOM 940 CG PHE A 497 107.243 -1.985 7.265 1.00 0.00 C ATOM 941 CD1 PHE A 497 107.391 -2.117 8.638 1.00 0.00 C ATOM 942 CD2 PHE A 497 105.971 -2.055 6.724 1.00 0.00 C ATOM 943 CE1 PHE A 497 106.291 -2.314 9.451 1.00 0.00 C ATOM 944 CE2 PHE A 497 104.869 -2.254 7.529 1.00 0.00 C ATOM 945 CZ PHE A 497 105.028 -2.383 8.895 1.00 0.00 C ATOM 0 H PHE A 497 107.419 -1.746 3.925 1.00 0.00 H new ATOM 0 HA PHE A 497 107.923 0.296 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 497 108.618 -2.659 5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 497 109.316 -1.603 7.005 1.00 0.00 H new ATOM 0 HD1 PHE A 497 108.377 -2.065 9.076 1.00 0.00 H new ATOM 0 HD2 PHE A 497 105.840 -1.952 5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 497 106.418 -2.414 10.519 1.00 0.00 H new ATOM 0 HE2 PHE A 497 103.883 -2.309 7.092 1.00 0.00 H new ATOM 0 HZ PHE A 497 104.166 -2.538 9.528 1.00 0.00 H new ATOM 955 N LYS A 498 110.367 0.642 5.504 1.00 0.00 N ATOM 956 CA LYS A 498 111.676 1.072 5.026 1.00 0.00 C ATOM 957 C LYS A 498 112.604 -0.124 4.834 1.00 0.00 C ATOM 958 O LYS A 498 113.609 -0.033 4.130 1.00 0.00 O ATOM 959 CB LYS A 498 112.299 2.062 6.011 1.00 0.00 C ATOM 960 CG LYS A 498 111.534 3.370 6.120 1.00 0.00 C ATOM 961 CD LYS A 498 112.281 4.507 5.442 1.00 0.00 C ATOM 962 CE LYS A 498 112.533 5.657 6.404 1.00 0.00 C ATOM 963 NZ LYS A 498 112.083 6.959 5.841 1.00 0.00 N ATOM 0 H LYS A 498 110.091 1.048 6.398 1.00 0.00 H new ATOM 0 HA LYS A 498 111.542 1.563 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 498 112.352 1.598 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 498 113.323 2.274 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 498 110.550 3.257 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 498 111.374 3.613 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 498 113.231 4.140 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 498 111.705 4.864 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 498 112.011 5.467 7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 498 113.597 5.710 6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 112.272 7.718 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 112.599 7.153 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 111.063 6.918 5.643 1.00 0.00 H new ATOM 977 N THR A 499 112.259 -1.241 5.464 1.00 0.00 N ATOM 978 CA THR A 499 113.061 -2.453 5.364 1.00 0.00 C ATOM 979 C THR A 499 112.202 -3.700 5.540 1.00 0.00 C ATOM 980 O THR A 499 111.175 -3.670 6.219 1.00 0.00 O ATOM 981 CB THR A 499 114.187 -2.468 6.413 1.00 0.00 C ATOM 982 OG1 THR A 499 113.750 -1.898 7.654 1.00 0.00 O ATOM 983 CG2 THR A 499 115.396 -1.686 5.923 1.00 0.00 C ATOM 0 H THR A 499 111.429 -1.332 6.050 1.00 0.00 H new ATOM 0 HA THR A 499 113.501 -2.458 4.367 1.00 0.00 H new ATOM 0 HB THR A 499 114.461 -3.511 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 499 114.117 -2.418 8.400 1.00 0.00 H new ATOM 0 HG21 THR A 499 116.178 -1.712 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 499 115.770 -2.133 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 499 115.108 -0.652 5.733 1.00 0.00 H new ATOM 991 N PRO A 500 112.618 -4.818 4.927 1.00 0.00 N ATOM 992 CA PRO A 500 111.891 -6.089 5.012 1.00 0.00 C ATOM 993 C PRO A 500 111.999 -6.723 6.394 1.00 0.00 C ATOM 994 O PRO A 500 111.037 -7.300 6.901 1.00 0.00 O ATOM 995 CB PRO A 500 112.588 -6.963 3.967 1.00 0.00 C ATOM 996 CG PRO A 500 113.967 -6.408 3.872 1.00 0.00 C ATOM 997 CD PRO A 500 113.833 -4.928 4.101 1.00 0.00 C ATOM 0 HA PRO A 500 110.822 -5.963 4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 500 112.602 -8.010 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 500 112.075 -6.917 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 500 114.622 -6.861 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 500 114.404 -6.614 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 500 114.705 -4.520 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 500 113.731 -4.384 3.162 1.00 0.00 H new ATOM 1005 N GLU A 501 113.177 -6.609 6.998 1.00 0.00 N ATOM 1006 CA GLU A 501 113.413 -7.167 8.325 1.00 0.00 C ATOM 1007 C GLU A 501 112.551 -6.466 9.370 1.00 0.00 C ATOM 1008 O GLU A 501 112.052 -7.096 10.302 1.00 0.00 O ATOM 1009 CB GLU A 501 114.892 -7.039 8.696 1.00 0.00 C ATOM 1010 CG GLU A 501 115.389 -5.603 8.727 1.00 0.00 C ATOM 1011 CD GLU A 501 114.991 -4.876 9.997 1.00 0.00 C ATOM 1012 OE1 GLU A 501 114.694 -5.555 11.002 1.00 0.00 O ATOM 1013 OE2 GLU A 501 114.979 -3.626 9.987 1.00 0.00 O ATOM 0 H GLU A 501 113.983 -6.135 6.590 1.00 0.00 H new ATOM 0 HA GLU A 501 113.140 -8.222 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 501 115.053 -7.492 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 501 115.488 -7.606 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 501 116.475 -5.596 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 501 114.992 -5.066 7.866 1.00 0.00 H new ATOM 1020 N ASP A 502 112.381 -5.157 9.208 1.00 0.00 N ATOM 1021 CA ASP A 502 111.582 -4.367 10.139 1.00 0.00 C ATOM 1022 C ASP A 502 110.131 -4.844 10.156 1.00 0.00 C ATOM 1023 O ASP A 502 109.502 -4.906 11.213 1.00 0.00 O ATOM 1024 CB ASP A 502 111.635 -2.886 9.761 1.00 0.00 C ATOM 1025 CG ASP A 502 112.637 -2.113 10.595 1.00 0.00 C ATOM 1026 OD1 ASP A 502 112.480 -2.081 11.834 1.00 0.00 O ATOM 1027 OD2 ASP A 502 113.579 -1.538 10.009 1.00 0.00 O ATOM 0 H ASP A 502 112.786 -4.621 8.441 1.00 0.00 H new ATOM 0 HA ASP A 502 112.002 -4.498 11.136 1.00 0.00 H new ATOM 0 HB2 ASP A 502 111.894 -2.792 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 502 110.646 -2.446 9.886 1.00 0.00 H new ATOM 1032 N ALA A 503 109.608 -5.179 8.982 1.00 0.00 N ATOM 1033 CA ALA A 503 108.232 -5.649 8.865 1.00 0.00 C ATOM 1034 C ALA A 503 108.021 -6.923 9.675 1.00 0.00 C ATOM 1035 O ALA A 503 106.940 -7.156 10.217 1.00 0.00 O ATOM 1036 CB ALA A 503 107.862 -5.885 7.409 1.00 0.00 C ATOM 0 H ALA A 503 110.115 -5.134 8.098 1.00 0.00 H new ATOM 0 HA ALA A 503 107.580 -4.873 9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 503 106.832 -6.235 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 503 107.963 -4.953 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 503 108.526 -6.636 6.982 1.00 0.00 H new ATOM 1042 N GLN A 504 109.062 -7.744 9.751 1.00 0.00 N ATOM 1043 CA GLN A 504 108.999 -8.999 10.491 1.00 0.00 C ATOM 1044 C GLN A 504 108.725 -8.748 11.972 1.00 0.00 C ATOM 1045 O GLN A 504 108.014 -9.514 12.622 1.00 0.00 O ATOM 1046 CB GLN A 504 110.308 -9.774 10.331 1.00 0.00 C ATOM 1047 CG GLN A 504 110.126 -11.282 10.304 1.00 0.00 C ATOM 1048 CD GLN A 504 110.337 -11.868 8.922 1.00 0.00 C ATOM 1049 OE1 GLN A 504 111.454 -12.227 8.551 1.00 0.00 O ATOM 1050 NE2 GLN A 504 109.259 -11.968 8.153 1.00 0.00 N ATOM 0 H GLN A 504 109.963 -7.562 9.308 1.00 0.00 H new ATOM 0 HA GLN A 504 108.179 -9.590 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 504 110.796 -9.459 9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 504 110.977 -9.512 11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 504 110.827 -11.742 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 504 109.123 -11.530 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 504 108.353 -11.657 8.503 1.00 0.00 H new ATOM 0 HE22 GLN A 504 109.337 -12.355 7.213 1.00 0.00 H new ATOM 1059 N ALA A 505 109.306 -7.679 12.505 1.00 0.00 N ATOM 1060 CA ALA A 505 109.132 -7.335 13.911 1.00 0.00 C ATOM 1061 C ALA A 505 107.691 -6.933 14.229 1.00 0.00 C ATOM 1062 O ALA A 505 107.162 -7.288 15.282 1.00 0.00 O ATOM 1063 CB ALA A 505 110.084 -6.221 14.315 1.00 0.00 C ATOM 0 H ALA A 505 109.902 -7.035 11.984 1.00 0.00 H new ATOM 0 HA ALA A 505 109.363 -8.230 14.489 1.00 0.00 H new ATOM 0 HB1 ALA A 505 109.937 -5.981 15.368 1.00 0.00 H new ATOM 0 HB2 ALA A 505 111.112 -6.546 14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 505 109.887 -5.336 13.710 1.00 0.00 H new ATOM 1069 N VAL A 506 107.067 -6.175 13.330 1.00 0.00 N ATOM 1070 CA VAL A 506 105.697 -5.715 13.545 1.00 0.00 C ATOM 1071 C VAL A 506 104.690 -6.862 13.505 1.00 0.00 C ATOM 1072 O VAL A 506 103.779 -6.924 14.331 1.00 0.00 O ATOM 1073 CB VAL A 506 105.288 -4.657 12.503 1.00 0.00 C ATOM 1074 CG1 VAL A 506 105.613 -5.133 11.095 1.00 0.00 C ATOM 1075 CG2 VAL A 506 103.808 -4.327 12.634 1.00 0.00 C ATOM 0 H VAL A 506 107.485 -5.868 12.452 1.00 0.00 H new ATOM 0 HA VAL A 506 105.682 -5.271 14.540 1.00 0.00 H new ATOM 0 HB VAL A 506 105.860 -3.749 12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 506 105.316 -4.370 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 506 106.685 -5.314 11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 506 105.072 -6.057 10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 506 103.535 -3.578 11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 506 103.218 -5.230 12.473 1.00 0.00 H new ATOM 0 HG23 VAL A 506 103.609 -3.937 13.632 1.00 0.00 H new ATOM 1085 N ILE A 507 104.851 -7.764 12.546 1.00 0.00 N ATOM 1086 CA ILE A 507 103.943 -8.898 12.416 1.00 0.00 C ATOM 1087 C ILE A 507 104.057 -9.832 13.612 1.00 0.00 C ATOM 1088 O ILE A 507 103.076 -10.450 14.028 1.00 0.00 O ATOM 1089 CB ILE A 507 104.205 -9.700 11.129 1.00 0.00 C ATOM 1090 CG1 ILE A 507 105.686 -10.062 11.010 1.00 0.00 C ATOM 1091 CG2 ILE A 507 103.747 -8.913 9.911 1.00 0.00 C ATOM 1092 CD1 ILE A 507 106.026 -11.415 11.596 1.00 0.00 C ATOM 0 H ILE A 507 105.596 -7.734 11.850 1.00 0.00 H new ATOM 0 HA ILE A 507 102.936 -8.483 12.371 1.00 0.00 H new ATOM 0 HB ILE A 507 103.631 -10.626 11.178 1.00 0.00 H new ATOM 0 HG12 ILE A 507 105.972 -10.048 9.958 1.00 0.00 H new ATOM 0 HG13 ILE A 507 106.280 -9.298 11.512 1.00 0.00 H new ATOM 0 HG21 ILE A 507 103.939 -9.494 9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 507 102.679 -8.709 9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 507 104.294 -7.971 9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 507 107.093 -11.606 11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 507 105.772 -11.427 12.656 1.00 0.00 H new ATOM 0 HD13 ILE A 507 105.459 -12.189 11.078 1.00 0.00 H new ATOM 1104 N ASN A 508 105.256 -9.914 14.174 1.00 0.00 N ATOM 1105 CA ASN A 508 105.490 -10.754 15.339 1.00 0.00 C ATOM 1106 C ASN A 508 104.803 -10.156 16.560 1.00 0.00 C ATOM 1107 O ASN A 508 104.214 -10.867 17.375 1.00 0.00 O ATOM 1108 CB ASN A 508 106.989 -10.897 15.600 1.00 0.00 C ATOM 1109 CG ASN A 508 107.682 -11.740 14.546 1.00 0.00 C ATOM 1110 OD1 ASN A 508 107.155 -12.763 14.109 1.00 0.00 O ATOM 1111 ND2 ASN A 508 108.871 -11.314 14.134 1.00 0.00 N ATOM 0 H ASN A 508 106.079 -9.410 13.842 1.00 0.00 H new ATOM 0 HA ASN A 508 105.074 -11.743 15.145 1.00 0.00 H new ATOM 0 HB2 ASN A 508 107.446 -9.908 15.628 1.00 0.00 H new ATOM 0 HB3 ASN A 508 107.143 -11.347 16.581 1.00 0.00 H new ATOM 0 HD21 ASN A 508 109.385 -11.841 13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 508 109.270 -10.460 14.524 1.00 0.00 H new ATOM 1118 N ALA A 509 104.888 -8.836 16.668 1.00 0.00 N ATOM 1119 CA ALA A 509 104.283 -8.105 17.775 1.00 0.00 C ATOM 1120 C ALA A 509 102.775 -7.972 17.601 1.00 0.00 C ATOM 1121 O ALA A 509 102.037 -7.812 18.573 1.00 0.00 O ATOM 1122 CB ALA A 509 104.913 -6.729 17.918 1.00 0.00 C ATOM 0 H ALA A 509 105.375 -8.244 15.995 1.00 0.00 H new ATOM 0 HA ALA A 509 104.470 -8.678 18.684 1.00 0.00 H new ATOM 0 HB1 ALA A 509 104.447 -6.200 18.750 1.00 0.00 H new ATOM 0 HB2 ALA A 509 105.981 -6.836 18.108 1.00 0.00 H new ATOM 0 HB3 ALA A 509 104.763 -6.163 16.999 1.00 0.00 H new ATOM 1128 N TYR A 510 102.328 -8.011 16.352 1.00 0.00 N ATOM 1129 CA TYR A 510 100.912 -7.867 16.037 1.00 0.00 C ATOM 1130 C TYR A 510 100.074 -9.010 16.592 1.00 0.00 C ATOM 1131 O TYR A 510 98.846 -8.925 16.616 1.00 0.00 O ATOM 1132 CB TYR A 510 100.714 -7.783 14.530 1.00 0.00 C ATOM 1133 CG TYR A 510 100.189 -6.446 14.065 1.00 0.00 C ATOM 1134 CD1 TYR A 510 99.330 -6.352 12.978 1.00 0.00 C ATOM 1135 CD2 TYR A 510 100.555 -5.279 14.718 1.00 0.00 C ATOM 1136 CE1 TYR A 510 98.851 -5.127 12.553 1.00 0.00 C ATOM 1137 CE2 TYR A 510 100.080 -4.050 14.301 1.00 0.00 C ATOM 1138 CZ TYR A 510 99.228 -3.979 13.218 1.00 0.00 C ATOM 1139 OH TYR A 510 98.753 -2.757 12.801 1.00 0.00 O ATOM 0 H TYR A 510 102.928 -8.142 15.538 1.00 0.00 H new ATOM 0 HA TYR A 510 100.575 -6.946 16.512 1.00 0.00 H new ATOM 0 HB2 TYR A 510 101.664 -7.983 14.035 1.00 0.00 H new ATOM 0 HB3 TYR A 510 100.021 -8.565 14.218 1.00 0.00 H new ATOM 0 HD1 TYR A 510 99.032 -7.250 12.457 1.00 0.00 H new ATOM 0 HD2 TYR A 510 101.222 -5.331 15.566 1.00 0.00 H new ATOM 0 HE1 TYR A 510 98.185 -5.069 11.705 1.00 0.00 H new ATOM 0 HE2 TYR A 510 100.374 -3.150 14.820 1.00 0.00 H new ATOM 0 HH TYR A 510 97.782 -2.807 12.682 1.00 0.00 H new ATOM 1149 N THR A 511 100.722 -10.074 17.048 1.00 0.00 N ATOM 1150 CA THR A 511 99.992 -11.204 17.602 1.00 0.00 C ATOM 1151 C THR A 511 98.990 -10.714 18.637 1.00 0.00 C ATOM 1152 O THR A 511 97.882 -11.238 18.753 1.00 0.00 O ATOM 1153 CB THR A 511 100.940 -12.224 18.259 1.00 0.00 C ATOM 1154 OG1 THR A 511 101.788 -11.598 19.229 1.00 0.00 O ATOM 1155 CG2 THR A 511 101.817 -12.900 17.217 1.00 0.00 C ATOM 0 H THR A 511 101.737 -10.177 17.046 1.00 0.00 H new ATOM 0 HA THR A 511 99.473 -11.698 16.780 1.00 0.00 H new ATOM 0 HB THR A 511 100.313 -12.967 18.752 1.00 0.00 H new ATOM 0 HG1 THR A 511 102.610 -11.289 18.794 1.00 0.00 H new ATOM 0 HG21 THR A 511 102.478 -13.616 17.706 1.00 0.00 H new ATOM 0 HG22 THR A 511 101.188 -13.421 16.495 1.00 0.00 H new ATOM 0 HG23 THR A 511 102.415 -12.148 16.702 1.00 0.00 H new ATOM 1163 N GLU A 512 99.406 -9.708 19.397 1.00 0.00 N ATOM 1164 CA GLU A 512 98.569 -9.135 20.446 1.00 0.00 C ATOM 1165 C GLU A 512 97.187 -8.772 19.916 1.00 0.00 C ATOM 1166 O GLU A 512 96.178 -9.016 20.578 1.00 0.00 O ATOM 1167 CB GLU A 512 99.238 -7.895 21.041 1.00 0.00 C ATOM 1168 CG GLU A 512 98.659 -7.478 22.384 1.00 0.00 C ATOM 1169 CD GLU A 512 97.729 -6.287 22.273 1.00 0.00 C ATOM 1170 OE1 GLU A 512 97.867 -5.511 21.304 1.00 0.00 O ATOM 1171 OE2 GLU A 512 96.860 -6.128 23.156 1.00 0.00 O ATOM 0 H GLU A 512 100.323 -9.270 19.306 1.00 0.00 H new ATOM 0 HA GLU A 512 98.449 -9.889 21.224 1.00 0.00 H new ATOM 0 HB2 GLU A 512 100.304 -8.088 21.158 1.00 0.00 H new ATOM 0 HB3 GLU A 512 99.140 -7.067 20.339 1.00 0.00 H new ATOM 0 HG2 GLU A 512 98.117 -8.318 22.819 1.00 0.00 H new ATOM 0 HG3 GLU A 512 99.473 -7.236 23.067 1.00 0.00 H new ATOM 1178 N ILE A 513 97.143 -8.185 18.727 1.00 0.00 N ATOM 1179 CA ILE A 513 95.877 -7.789 18.127 1.00 0.00 C ATOM 1180 C ILE A 513 94.816 -8.861 18.340 1.00 0.00 C ATOM 1181 O ILE A 513 93.683 -8.559 18.715 1.00 0.00 O ATOM 1182 CB ILE A 513 96.024 -7.518 16.618 1.00 0.00 C ATOM 1183 CG1 ILE A 513 97.127 -6.489 16.366 1.00 0.00 C ATOM 1184 CG2 ILE A 513 94.702 -7.040 16.036 1.00 0.00 C ATOM 1185 CD1 ILE A 513 96.859 -5.146 17.010 1.00 0.00 C ATOM 0 H ILE A 513 97.965 -7.974 18.162 1.00 0.00 H new ATOM 0 HA ILE A 513 95.568 -6.867 18.620 1.00 0.00 H new ATOM 0 HB ILE A 513 96.303 -8.448 16.122 1.00 0.00 H new ATOM 0 HG12 ILE A 513 98.072 -6.881 16.742 1.00 0.00 H new ATOM 0 HG13 ILE A 513 97.245 -6.351 15.291 1.00 0.00 H new ATOM 0 HG21 ILE A 513 94.821 -6.852 14.969 1.00 0.00 H new ATOM 0 HG22 ILE A 513 93.940 -7.805 16.187 1.00 0.00 H new ATOM 0 HG23 ILE A 513 94.397 -6.120 16.534 1.00 0.00 H new ATOM 0 HD11 ILE A 513 97.682 -4.466 16.790 1.00 0.00 H new ATOM 0 HD12 ILE A 513 95.931 -4.732 16.616 1.00 0.00 H new ATOM 0 HD13 ILE A 513 96.771 -5.271 18.089 1.00 0.00 H new ATOM 1197 N ASN A 514 95.182 -10.114 18.090 1.00 0.00 N ATOM 1198 CA ASN A 514 94.252 -11.226 18.248 1.00 0.00 C ATOM 1199 C ASN A 514 93.460 -11.099 19.547 1.00 0.00 C ATOM 1200 O ASN A 514 92.299 -11.501 19.616 1.00 0.00 O ATOM 1201 CB ASN A 514 95.008 -12.556 18.228 1.00 0.00 C ATOM 1202 CG ASN A 514 94.094 -13.743 18.457 1.00 0.00 C ATOM 1203 OD1 ASN A 514 94.366 -14.599 19.299 1.00 0.00 O ATOM 1204 ND2 ASN A 514 93.003 -13.801 17.704 1.00 0.00 N ATOM 0 H ASN A 514 96.115 -10.384 17.778 1.00 0.00 H new ATOM 0 HA ASN A 514 93.551 -11.199 17.414 1.00 0.00 H new ATOM 0 HB2 ASN A 514 95.513 -12.669 17.269 1.00 0.00 H new ATOM 0 HB3 ASN A 514 95.781 -12.543 18.996 1.00 0.00 H new ATOM 0 HD21 ASN A 514 92.350 -14.577 17.811 1.00 0.00 H new ATOM 0 HD22 ASN A 514 92.817 -13.069 17.018 1.00 0.00 H new ATOM 1211 N LYS A 515 94.092 -10.538 20.573 1.00 0.00 N ATOM 1212 CA LYS A 515 93.438 -10.361 21.865 1.00 0.00 C ATOM 1213 C LYS A 515 92.160 -9.543 21.714 1.00 0.00 C ATOM 1214 O LYS A 515 91.256 -9.620 22.546 1.00 0.00 O ATOM 1215 CB LYS A 515 94.385 -9.675 22.851 1.00 0.00 C ATOM 1216 CG LYS A 515 95.449 -10.600 23.418 1.00 0.00 C ATOM 1217 CD LYS A 515 95.205 -10.893 24.889 1.00 0.00 C ATOM 1218 CE LYS A 515 94.384 -12.158 25.073 1.00 0.00 C ATOM 1219 NZ LYS A 515 93.639 -12.153 26.362 1.00 0.00 N ATOM 0 H LYS A 515 95.053 -10.199 20.535 1.00 0.00 H new ATOM 0 HA LYS A 515 93.177 -11.346 22.253 1.00 0.00 H new ATOM 0 HB2 LYS A 515 94.872 -8.838 22.351 1.00 0.00 H new ATOM 0 HB3 LYS A 515 93.802 -9.260 23.673 1.00 0.00 H new ATOM 0 HG2 LYS A 515 95.458 -11.534 22.856 1.00 0.00 H new ATOM 0 HG3 LYS A 515 96.432 -10.145 23.295 1.00 0.00 H new ATOM 0 HD2 LYS A 515 96.160 -10.999 25.404 1.00 0.00 H new ATOM 0 HD3 LYS A 515 94.687 -10.051 25.348 1.00 0.00 H new ATOM 0 HE2 LYS A 515 93.680 -12.257 24.247 1.00 0.00 H new ATOM 0 HE3 LYS A 515 95.042 -13.026 25.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 515 93.091 -13.033 26.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 515 94.312 -12.084 27.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 515 92.992 -11.339 26.386 1.00 0.00 H new ATOM 1233 N LYS A 516 92.097 -8.760 20.643 1.00 0.00 N ATOM 1234 CA LYS A 516 90.935 -7.924 20.370 1.00 0.00 C ATOM 1235 C LYS A 516 90.227 -8.381 19.100 1.00 0.00 C ATOM 1236 O LYS A 516 89.016 -8.604 19.096 1.00 0.00 O ATOM 1237 CB LYS A 516 91.361 -6.461 20.234 1.00 0.00 C ATOM 1238 CG LYS A 516 90.206 -5.479 20.331 1.00 0.00 C ATOM 1239 CD LYS A 516 89.858 -5.170 21.777 1.00 0.00 C ATOM 1240 CE LYS A 516 88.760 -6.087 22.289 1.00 0.00 C ATOM 1241 NZ LYS A 516 87.412 -5.465 22.170 1.00 0.00 N ATOM 0 H LYS A 516 92.840 -8.687 19.948 1.00 0.00 H new ATOM 0 HA LYS A 516 90.240 -8.018 21.205 1.00 0.00 H new ATOM 0 HB2 LYS A 516 92.090 -6.230 21.011 1.00 0.00 H new ATOM 0 HB3 LYS A 516 91.863 -6.325 19.276 1.00 0.00 H new ATOM 0 HG2 LYS A 516 90.467 -4.556 19.813 1.00 0.00 H new ATOM 0 HG3 LYS A 516 89.333 -5.892 19.826 1.00 0.00 H new ATOM 0 HD2 LYS A 516 90.746 -5.281 22.399 1.00 0.00 H new ATOM 0 HD3 LYS A 516 89.537 -4.132 21.862 1.00 0.00 H new ATOM 0 HE2 LYS A 516 88.778 -7.022 21.729 1.00 0.00 H new ATOM 0 HE3 LYS A 516 88.953 -6.336 23.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 86.693 -6.124 22.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 87.385 -4.586 22.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 87.216 -5.250 21.172 1.00 0.00 H new ATOM 1255 N HIS A 517 90.994 -8.522 18.025 1.00 0.00 N ATOM 1256 CA HIS A 517 90.450 -8.959 16.745 1.00 0.00 C ATOM 1257 C HIS A 517 91.476 -9.788 15.979 1.00 0.00 C ATOM 1258 O HIS A 517 92.637 -9.398 15.859 1.00 0.00 O ATOM 1259 CB HIS A 517 90.021 -7.756 15.901 1.00 0.00 C ATOM 1260 CG HIS A 517 89.659 -6.547 16.708 1.00 0.00 C ATOM 1261 ND1 HIS A 517 88.387 -6.316 17.188 1.00 0.00 N ATOM 1262 CD2 HIS A 517 90.408 -5.493 17.112 1.00 0.00 C ATOM 1263 CE1 HIS A 517 88.368 -5.172 17.851 1.00 0.00 C ATOM 1264 NE2 HIS A 517 89.582 -4.654 17.820 1.00 0.00 N ATOM 0 H HIS A 517 91.997 -8.339 18.015 1.00 0.00 H new ATOM 0 HA HIS A 517 89.576 -9.578 16.945 1.00 0.00 H new ATOM 0 HB2 HIS A 517 90.830 -7.496 15.218 1.00 0.00 H new ATOM 0 HB3 HIS A 517 89.166 -8.041 15.288 1.00 0.00 H new ATOM 0 HD1 HIS A 517 87.585 -6.932 17.053 1.00 0.00 H new ATOM 0 HD2 HIS A 517 91.459 -5.341 16.914 1.00 0.00 H new ATOM 0 HE1 HIS A 517 87.507 -4.736 18.335 1.00 0.00 H new ATOM 1273 N CYS A 518 91.041 -10.932 15.460 1.00 0.00 N ATOM 1274 CA CYS A 518 91.925 -11.812 14.703 1.00 0.00 C ATOM 1275 C CYS A 518 92.429 -11.118 13.442 1.00 0.00 C ATOM 1276 O CYS A 518 91.704 -11.009 12.452 1.00 0.00 O ATOM 1277 CB CYS A 518 91.197 -13.106 14.332 1.00 0.00 C ATOM 1278 SG CYS A 518 92.271 -14.556 14.234 1.00 0.00 S ATOM 0 H CYS A 518 90.083 -11.271 15.549 1.00 0.00 H new ATOM 0 HA CYS A 518 92.782 -12.055 15.331 1.00 0.00 H new ATOM 0 HB2 CYS A 518 90.416 -13.295 15.069 1.00 0.00 H new ATOM 0 HB3 CYS A 518 90.702 -12.969 13.371 1.00 0.00 H new ATOM 0 HG CYS A 518 91.563 -15.599 13.917 1.00 0.00 H new ATOM 1284 N TRP A 519 93.671 -10.646 13.482 1.00 0.00 N ATOM 1285 CA TRP A 519 94.260 -9.958 12.338 1.00 0.00 C ATOM 1286 C TRP A 519 95.321 -10.810 11.659 1.00 0.00 C ATOM 1287 O TRP A 519 96.014 -11.601 12.298 1.00 0.00 O ATOM 1288 CB TRP A 519 94.856 -8.621 12.764 1.00 0.00 C ATOM 1289 CG TRP A 519 94.478 -7.508 11.843 1.00 0.00 C ATOM 1290 CD1 TRP A 519 93.824 -7.625 10.651 1.00 0.00 C ATOM 1291 CD2 TRP A 519 94.726 -6.112 12.031 1.00 0.00 C ATOM 1292 NE1 TRP A 519 93.646 -6.393 10.087 1.00 0.00 N ATOM 1293 CE2 TRP A 519 94.191 -5.440 10.914 1.00 0.00 C ATOM 1294 CE3 TRP A 519 95.344 -5.362 13.036 1.00 0.00 C ATOM 1295 CZ2 TRP A 519 94.258 -4.053 10.779 1.00 0.00 C ATOM 1296 CZ3 TRP A 519 95.412 -3.989 12.898 1.00 0.00 C ATOM 1297 CH2 TRP A 519 94.870 -3.347 11.779 1.00 0.00 C ATOM 0 H TRP A 519 94.287 -10.727 14.291 1.00 0.00 H new ATOM 0 HA TRP A 519 93.461 -9.777 11.619 1.00 0.00 H new ATOM 0 HB2 TRP A 519 94.521 -8.383 13.774 1.00 0.00 H new ATOM 0 HB3 TRP A 519 95.942 -8.706 12.800 1.00 0.00 H new ATOM 0 HD1 TRP A 519 93.495 -8.557 10.216 1.00 0.00 H new ATOM 0 HE1 TRP A 519 93.184 -6.210 9.196 1.00 0.00 H new ATOM 0 HE3 TRP A 519 95.761 -5.848 13.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 93.842 -3.554 9.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 95.892 -3.401 13.667 1.00 0.00 H new ATOM 0 HH2 TRP A 519 94.936 -2.272 11.703 1.00 0.00 H new ATOM 1308 N LYS A 520 95.423 -10.642 10.348 1.00 0.00 N ATOM 1309 CA LYS A 520 96.374 -11.388 9.541 1.00 0.00 C ATOM 1310 C LYS A 520 97.498 -10.490 9.033 1.00 0.00 C ATOM 1311 O LYS A 520 97.251 -9.380 8.558 1.00 0.00 O ATOM 1312 CB LYS A 520 95.644 -12.007 8.360 1.00 0.00 C ATOM 1313 CG LYS A 520 94.248 -12.501 8.708 1.00 0.00 C ATOM 1314 CD LYS A 520 94.296 -13.622 9.732 1.00 0.00 C ATOM 1315 CE LYS A 520 93.184 -13.486 10.762 1.00 0.00 C ATOM 1316 NZ LYS A 520 92.019 -12.729 10.226 1.00 0.00 N ATOM 0 H LYS A 520 94.850 -9.986 9.817 1.00 0.00 H new ATOM 0 HA LYS A 520 96.819 -12.166 10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 520 95.572 -11.271 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 520 96.231 -12.840 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 520 93.655 -11.674 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 520 93.749 -12.852 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 520 94.208 -14.583 9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 520 95.263 -13.615 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 520 92.859 -14.477 11.078 1.00 0.00 H new ATOM 0 HE3 LYS A 520 93.569 -12.980 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 520 91.157 -13.015 10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 520 92.176 -11.710 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 520 91.909 -12.933 9.212 1.00 0.00 H new ATOM 1330 N LEU A 521 98.730 -10.983 9.119 1.00 0.00 N ATOM 1331 CA LEU A 521 99.886 -10.227 8.654 1.00 0.00 C ATOM 1332 C LEU A 521 100.816 -11.108 7.827 1.00 0.00 C ATOM 1333 O LEU A 521 101.307 -12.131 8.306 1.00 0.00 O ATOM 1334 CB LEU A 521 100.648 -9.630 9.838 1.00 0.00 C ATOM 1335 CG LEU A 521 99.786 -8.893 10.864 1.00 0.00 C ATOM 1336 CD1 LEU A 521 98.889 -7.872 10.178 1.00 0.00 C ATOM 1337 CD2 LEU A 521 98.955 -9.883 11.667 1.00 0.00 C ATOM 0 H LEU A 521 98.952 -11.900 9.506 1.00 0.00 H new ATOM 0 HA LEU A 521 99.524 -9.416 8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 521 101.183 -10.432 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 521 101.399 -8.939 9.455 1.00 0.00 H new ATOM 0 HG LEU A 521 100.446 -8.360 11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 521 98.284 -7.359 10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 521 99.504 -7.145 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 521 98.235 -8.380 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 521 98.347 -9.343 12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 521 98.305 -10.443 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 521 99.617 -10.573 12.190 1.00 0.00 H new ATOM 1349 N GLU A 522 101.055 -10.704 6.584 1.00 0.00 N ATOM 1350 CA GLU A 522 101.927 -11.453 5.689 1.00 0.00 C ATOM 1351 C GLU A 522 102.815 -10.510 4.883 1.00 0.00 C ATOM 1352 O GLU A 522 102.327 -9.579 4.246 1.00 0.00 O ATOM 1353 CB GLU A 522 101.095 -12.326 4.746 1.00 0.00 C ATOM 1354 CG GLU A 522 101.932 -13.156 3.787 1.00 0.00 C ATOM 1355 CD GLU A 522 102.184 -12.449 2.470 1.00 0.00 C ATOM 1356 OE1 GLU A 522 101.199 -12.052 1.812 1.00 0.00 O ATOM 1357 OE2 GLU A 522 103.365 -12.293 2.096 1.00 0.00 O ATOM 0 H GLU A 522 100.656 -9.860 6.173 1.00 0.00 H new ATOM 0 HA GLU A 522 102.567 -12.095 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 522 100.469 -12.993 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 522 100.424 -11.688 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 522 102.887 -13.393 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 522 101.427 -14.103 3.596 1.00 0.00 H new ATOM 1364 N ILE A 523 104.119 -10.758 4.917 1.00 0.00 N ATOM 1365 CA ILE A 523 105.073 -9.929 4.191 1.00 0.00 C ATOM 1366 C ILE A 523 105.279 -10.441 2.772 1.00 0.00 C ATOM 1367 O ILE A 523 105.712 -11.574 2.567 1.00 0.00 O ATOM 1368 CB ILE A 523 106.436 -9.880 4.906 1.00 0.00 C ATOM 1369 CG1 ILE A 523 106.305 -9.156 6.246 1.00 0.00 C ATOM 1370 CG2 ILE A 523 107.473 -9.197 4.026 1.00 0.00 C ATOM 1371 CD1 ILE A 523 106.481 -10.065 7.441 1.00 0.00 C ATOM 0 H ILE A 523 104.540 -11.526 5.440 1.00 0.00 H new ATOM 0 HA ILE A 523 104.652 -8.924 4.156 1.00 0.00 H new ATOM 0 HB ILE A 523 106.768 -10.901 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 523 107.047 -8.359 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 523 105.324 -8.683 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 523 108.431 -9.170 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 523 107.581 -9.752 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 523 107.151 -8.179 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 523 106.375 -9.485 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 523 105.723 -10.848 7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 523 107.472 -10.518 7.410 1.00 0.00 H new ATOM 1383 N LEU A 524 104.970 -9.597 1.794 1.00 0.00 N ATOM 1384 CA LEU A 524 105.128 -9.965 0.393 1.00 0.00 C ATOM 1385 C LEU A 524 106.601 -10.174 0.058 1.00 0.00 C ATOM 1386 O LEU A 524 107.467 -9.452 0.551 1.00 0.00 O ATOM 1387 CB LEU A 524 104.532 -8.886 -0.509 1.00 0.00 C ATOM 1388 CG LEU A 524 103.031 -9.011 -0.770 1.00 0.00 C ATOM 1389 CD1 LEU A 524 102.759 -10.098 -1.798 1.00 0.00 C ATOM 1390 CD2 LEU A 524 102.287 -9.299 0.524 1.00 0.00 C ATOM 0 H LEU A 524 104.609 -8.655 1.946 1.00 0.00 H new ATOM 0 HA LEU A 524 104.596 -10.901 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 524 104.726 -7.912 -0.060 1.00 0.00 H new ATOM 0 HB3 LEU A 524 105.054 -8.906 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 524 102.670 -8.063 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 524 101.686 -10.174 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 524 103.261 -9.849 -2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 524 103.135 -11.052 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 524 101.220 -9.385 0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 524 102.650 -10.233 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 524 102.457 -8.486 1.230 1.00 0.00 H new ATOM 1402 N SER A 525 106.881 -11.174 -0.771 1.00 0.00 N ATOM 1403 CA SER A 525 108.255 -11.482 -1.154 1.00 0.00 C ATOM 1404 C SER A 525 108.338 -11.964 -2.597 1.00 0.00 C ATOM 1405 O SER A 525 107.340 -12.379 -3.187 1.00 0.00 O ATOM 1406 CB SER A 525 108.847 -12.535 -0.215 1.00 0.00 C ATOM 1407 OG SER A 525 110.258 -12.416 -0.142 1.00 0.00 O ATOM 0 H SER A 525 106.178 -11.783 -1.189 1.00 0.00 H new ATOM 0 HA SER A 525 108.835 -10.563 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 525 108.417 -12.422 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 525 108.580 -13.532 -0.566 1.00 0.00 H new ATOM 0 HG SER A 525 110.613 -13.098 0.465 1.00 0.00 H new ATOM 1413 N GLY A 526 109.543 -11.905 -3.154 1.00 0.00 N ATOM 1414 CA GLY A 526 109.755 -12.341 -4.521 1.00 0.00 C ATOM 1415 C GLY A 526 108.826 -11.655 -5.498 1.00 0.00 C ATOM 1416 O GLY A 526 108.243 -10.617 -5.186 1.00 0.00 O ATOM 0 H GLY A 526 110.379 -11.562 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 526 110.788 -12.142 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 526 109.609 -13.419 -4.582 1.00 0.00 H new ATOM 1420 N ASP A 527 108.685 -12.234 -6.685 1.00 0.00 N ATOM 1421 CA ASP A 527 107.816 -11.663 -7.703 1.00 0.00 C ATOM 1422 C ASP A 527 106.549 -11.105 -7.069 1.00 0.00 C ATOM 1423 O ASP A 527 105.968 -10.141 -7.566 1.00 0.00 O ATOM 1424 CB ASP A 527 107.455 -12.718 -8.750 1.00 0.00 C ATOM 1425 CG ASP A 527 108.633 -13.596 -9.119 1.00 0.00 C ATOM 1426 OD1 ASP A 527 108.487 -14.836 -9.074 1.00 0.00 O ATOM 1427 OD2 ASP A 527 109.702 -13.044 -9.456 1.00 0.00 O ATOM 0 H ASP A 527 109.159 -13.093 -6.964 1.00 0.00 H new ATOM 0 HA ASP A 527 108.351 -10.850 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 527 106.646 -13.342 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 527 107.080 -12.223 -9.646 1.00 0.00 H new ATOM 1432 N HIS A 528 106.126 -11.715 -5.967 1.00 0.00 N ATOM 1433 CA HIS A 528 104.929 -11.271 -5.264 1.00 0.00 C ATOM 1434 C HIS A 528 105.118 -9.864 -4.704 1.00 0.00 C ATOM 1435 O HIS A 528 104.247 -9.005 -4.854 1.00 0.00 O ATOM 1436 CB HIS A 528 104.585 -12.244 -4.135 1.00 0.00 C ATOM 1437 CG HIS A 528 103.164 -12.716 -4.165 1.00 0.00 C ATOM 1438 ND1 HIS A 528 102.527 -13.261 -3.069 1.00 0.00 N ATOM 1439 CD2 HIS A 528 102.253 -12.719 -5.167 1.00 0.00 C ATOM 1440 CE1 HIS A 528 101.287 -13.578 -3.396 1.00 0.00 C ATOM 1441 NE2 HIS A 528 101.097 -13.259 -4.663 1.00 0.00 N ATOM 0 H HIS A 528 106.593 -12.516 -5.543 1.00 0.00 H new ATOM 0 HA HIS A 528 104.105 -11.249 -5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 528 105.248 -13.107 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS A 528 104.779 -11.760 -3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 528 102.408 -12.363 -6.175 1.00 0.00 H new ATOM 0 HE1 HIS A 528 100.554 -14.022 -2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 528 100.230 -13.393 -5.183 1.00 0.00 H new ATOM 1450 N GLU A 529 106.263 -9.630 -4.067 1.00 0.00 N ATOM 1451 CA GLU A 529 106.559 -8.318 -3.499 1.00 0.00 C ATOM 1452 C GLU A 529 106.723 -7.290 -4.610 1.00 0.00 C ATOM 1453 O GLU A 529 106.176 -6.188 -4.544 1.00 0.00 O ATOM 1454 CB GLU A 529 107.826 -8.385 -2.634 1.00 0.00 C ATOM 1455 CG GLU A 529 109.108 -8.056 -3.386 1.00 0.00 C ATOM 1456 CD GLU A 529 110.352 -8.347 -2.569 1.00 0.00 C ATOM 1457 OE1 GLU A 529 111.427 -7.811 -2.912 1.00 0.00 O ATOM 1458 OE2 GLU A 529 110.251 -9.110 -1.586 1.00 0.00 O ATOM 0 H GLU A 529 106.996 -10.326 -3.932 1.00 0.00 H new ATOM 0 HA GLU A 529 105.726 -8.013 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 529 107.720 -7.693 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 529 107.912 -9.386 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 529 109.141 -8.633 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 529 109.100 -7.003 -3.667 1.00 0.00 H new ATOM 1465 N GLN A 530 107.464 -7.673 -5.641 1.00 0.00 N ATOM 1466 CA GLN A 530 107.690 -6.802 -6.787 1.00 0.00 C ATOM 1467 C GLN A 530 106.377 -6.525 -7.507 1.00 0.00 C ATOM 1468 O GLN A 530 106.172 -5.448 -8.067 1.00 0.00 O ATOM 1469 CB GLN A 530 108.695 -7.435 -7.752 1.00 0.00 C ATOM 1470 CG GLN A 530 108.665 -6.832 -9.146 1.00 0.00 C ATOM 1471 CD GLN A 530 108.274 -7.840 -10.209 1.00 0.00 C ATOM 1472 OE1 GLN A 530 109.107 -8.275 -11.005 1.00 0.00 O ATOM 1473 NE2 GLN A 530 107.000 -8.218 -10.229 1.00 0.00 N ATOM 0 H GLN A 530 107.920 -8.583 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 530 108.100 -5.859 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 530 109.698 -7.327 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 530 108.493 -8.504 -7.823 1.00 0.00 H new ATOM 0 HG2 GLN A 530 107.961 -6.000 -9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 530 109.647 -6.423 -9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 530 106.343 -7.832 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 530 106.679 -8.894 -10.923 1.00 0.00 H new ATOM 1482 N ARG A 531 105.492 -7.516 -7.491 1.00 0.00 N ATOM 1483 CA ARG A 531 104.193 -7.401 -8.143 1.00 0.00 C ATOM 1484 C ARG A 531 103.357 -6.290 -7.515 1.00 0.00 C ATOM 1485 O ARG A 531 102.848 -5.417 -8.216 1.00 0.00 O ATOM 1486 CB ARG A 531 103.442 -8.731 -8.063 1.00 0.00 C ATOM 1487 CG ARG A 531 102.204 -8.789 -8.942 1.00 0.00 C ATOM 1488 CD ARG A 531 101.079 -7.941 -8.374 1.00 0.00 C ATOM 1489 NE ARG A 531 99.789 -8.622 -8.450 1.00 0.00 N ATOM 1490 CZ ARG A 531 99.096 -8.766 -9.574 1.00 0.00 C ATOM 1491 NH1 ARG A 531 99.567 -8.280 -10.715 1.00 0.00 N ATOM 1492 NH2 ARG A 531 97.931 -9.399 -9.557 1.00 0.00 N ATOM 0 H ARG A 531 105.652 -8.412 -7.031 1.00 0.00 H new ATOM 0 HA ARG A 531 104.363 -7.148 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 531 104.118 -9.537 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 531 103.151 -8.912 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 531 102.452 -8.442 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 531 101.871 -9.823 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 531 101.299 -7.696 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 531 101.024 -6.999 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 531 99.398 -9.009 -7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 531 100.464 -7.794 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 531 99.032 -8.392 -11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 531 97.568 -9.775 -8.681 1.00 0.00 H new ATOM 0 HH22 ARG A 531 97.398 -9.510 -10.420 1.00 0.00 H new ATOM 1506 N TYR A 532 103.217 -6.325 -6.192 1.00 0.00 N ATOM 1507 CA TYR A 532 102.438 -5.310 -5.491 1.00 0.00 C ATOM 1508 C TYR A 532 103.024 -3.923 -5.735 1.00 0.00 C ATOM 1509 O TYR A 532 102.294 -2.965 -6.002 1.00 0.00 O ATOM 1510 CB TYR A 532 102.398 -5.613 -3.992 1.00 0.00 C ATOM 1511 CG TYR A 532 101.769 -4.512 -3.168 1.00 0.00 C ATOM 1512 CD1 TYR A 532 102.450 -3.328 -2.922 1.00 0.00 C ATOM 1513 CD2 TYR A 532 100.494 -4.657 -2.636 1.00 0.00 C ATOM 1514 CE1 TYR A 532 101.881 -2.319 -2.169 1.00 0.00 C ATOM 1515 CE2 TYR A 532 99.917 -3.652 -1.881 1.00 0.00 C ATOM 1516 CZ TYR A 532 100.615 -2.485 -1.652 1.00 0.00 C ATOM 1517 OH TYR A 532 100.046 -1.479 -0.905 1.00 0.00 O ATOM 0 H TYR A 532 103.629 -7.038 -5.590 1.00 0.00 H new ATOM 0 HA TYR A 532 101.419 -5.328 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 532 101.843 -6.537 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 532 103.414 -5.785 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 532 103.442 -3.193 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 532 99.944 -5.569 -2.815 1.00 0.00 H new ATOM 0 HE1 TYR A 532 102.426 -1.405 -1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 532 98.925 -3.781 -1.473 1.00 0.00 H new ATOM 0 HH TYR A 532 100.681 -1.179 -0.222 1.00 0.00 H new ATOM 1527 N TRP A 533 104.348 -3.823 -5.660 1.00 0.00 N ATOM 1528 CA TRP A 533 105.021 -2.552 -5.894 1.00 0.00 C ATOM 1529 C TRP A 533 104.742 -2.062 -7.309 1.00 0.00 C ATOM 1530 O TRP A 533 104.602 -0.863 -7.546 1.00 0.00 O ATOM 1531 CB TRP A 533 106.527 -2.693 -5.669 1.00 0.00 C ATOM 1532 CG TRP A 533 106.927 -2.481 -4.241 1.00 0.00 C ATOM 1533 CD1 TRP A 533 107.345 -3.432 -3.356 1.00 0.00 C ATOM 1534 CD2 TRP A 533 106.939 -1.238 -3.533 1.00 0.00 C ATOM 1535 NE1 TRP A 533 107.616 -2.856 -2.139 1.00 0.00 N ATOM 1536 CE2 TRP A 533 107.376 -1.509 -2.222 1.00 0.00 C ATOM 1537 CE3 TRP A 533 106.625 0.079 -3.880 1.00 0.00 C ATOM 1538 CZ2 TRP A 533 107.503 -0.513 -1.260 1.00 0.00 C ATOM 1539 CZ3 TRP A 533 106.753 1.067 -2.923 1.00 0.00 C ATOM 1540 CH2 TRP A 533 107.190 0.768 -1.628 1.00 0.00 C ATOM 0 H TRP A 533 104.971 -4.601 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 533 104.634 -1.819 -5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 533 106.845 -3.686 -5.986 1.00 0.00 H new ATOM 0 HB3 TRP A 533 107.052 -1.974 -6.298 1.00 0.00 H new ATOM 0 HD1 TRP A 533 107.448 -4.484 -3.580 1.00 0.00 H new ATOM 0 HE1 TRP A 533 107.943 -3.350 -1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 533 106.289 0.320 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 533 107.837 -0.742 -0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 533 106.512 2.088 -3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 533 107.282 1.564 -0.904 1.00 0.00 H new ATOM 1551 N GLN A 534 104.643 -3.005 -8.242 1.00 0.00 N ATOM 1552 CA GLN A 534 104.358 -2.675 -9.633 1.00 0.00 C ATOM 1553 C GLN A 534 103.024 -1.950 -9.729 1.00 0.00 C ATOM 1554 O GLN A 534 102.890 -0.963 -10.453 1.00 0.00 O ATOM 1555 CB GLN A 534 104.322 -3.942 -10.490 1.00 0.00 C ATOM 1556 CG GLN A 534 105.696 -4.517 -10.790 1.00 0.00 C ATOM 1557 CD GLN A 534 106.243 -4.051 -12.125 1.00 0.00 C ATOM 1558 OE1 GLN A 534 105.523 -3.470 -12.937 1.00 0.00 O ATOM 1559 NE2 GLN A 534 107.525 -4.304 -12.360 1.00 0.00 N ATOM 0 H GLN A 534 104.756 -4.002 -8.059 1.00 0.00 H new ATOM 0 HA GLN A 534 105.150 -2.025 -10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 534 103.725 -4.698 -9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 534 103.818 -3.719 -11.430 1.00 0.00 H new ATOM 0 HG2 GLN A 534 106.387 -4.229 -9.998 1.00 0.00 H new ATOM 0 HG3 GLN A 534 105.640 -5.606 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 534 108.086 -4.788 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 534 107.949 -4.014 -13.241 1.00 0.00 H new ATOM 1568 N LYS A 535 102.042 -2.445 -8.983 1.00 0.00 N ATOM 1569 CA LYS A 535 100.718 -1.844 -8.970 1.00 0.00 C ATOM 1570 C LYS A 535 100.794 -0.419 -8.435 1.00 0.00 C ATOM 1571 O LYS A 535 100.117 0.482 -8.932 1.00 0.00 O ATOM 1572 CB LYS A 535 99.756 -2.693 -8.128 1.00 0.00 C ATOM 1573 CG LYS A 535 99.545 -2.189 -6.707 1.00 0.00 C ATOM 1574 CD LYS A 535 98.915 -3.260 -5.833 1.00 0.00 C ATOM 1575 CE LYS A 535 98.789 -2.806 -4.388 1.00 0.00 C ATOM 1576 NZ LYS A 535 97.715 -1.789 -4.215 1.00 0.00 N ATOM 0 H LYS A 535 102.141 -3.262 -8.380 1.00 0.00 H new ATOM 0 HA LYS A 535 100.336 -1.808 -9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 535 98.791 -2.733 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 535 100.136 -3.714 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 535 100.501 -1.884 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 535 98.906 -1.306 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 535 97.929 -3.513 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 535 99.518 -4.167 -5.878 1.00 0.00 H new ATOM 0 HE2 LYS A 535 98.578 -3.667 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 535 99.740 -2.390 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 535 97.662 -1.506 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 535 97.928 -0.956 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 535 96.803 -2.194 -4.509 1.00 0.00 H new ATOM 1590 N ILE A 536 101.631 -0.222 -7.421 1.00 0.00 N ATOM 1591 CA ILE A 536 101.803 1.096 -6.826 1.00 0.00 C ATOM 1592 C ILE A 536 102.204 2.118 -7.884 1.00 0.00 C ATOM 1593 O ILE A 536 101.507 3.107 -8.104 1.00 0.00 O ATOM 1594 CB ILE A 536 102.875 1.084 -5.718 1.00 0.00 C ATOM 1595 CG1 ILE A 536 102.615 -0.056 -4.731 1.00 0.00 C ATOM 1596 CG2 ILE A 536 102.904 2.422 -4.996 1.00 0.00 C ATOM 1597 CD1 ILE A 536 103.537 -0.030 -3.531 1.00 0.00 C ATOM 0 H ILE A 536 102.198 -0.956 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 536 100.844 1.373 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 536 103.849 0.920 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 536 101.582 -0.002 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 536 102.730 -1.009 -5.248 1.00 0.00 H new ATOM 0 HG21 ILE A 536 103.666 2.398 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 536 103.137 3.214 -5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 536 101.930 2.614 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 536 103.299 -0.865 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 536 104.571 -0.114 -3.865 1.00 0.00 H new ATOM 0 HD13 ILE A 536 103.405 0.908 -2.991 1.00 0.00 H new ATOM 1609 N LEU A 537 103.336 1.867 -8.536 1.00 0.00 N ATOM 1610 CA LEU A 537 103.838 2.760 -9.573 1.00 0.00 C ATOM 1611 C LEU A 537 102.773 3.016 -10.635 1.00 0.00 C ATOM 1612 O LEU A 537 102.441 4.164 -10.930 1.00 0.00 O ATOM 1613 CB LEU A 537 105.088 2.164 -10.226 1.00 0.00 C ATOM 1614 CG LEU A 537 106.394 2.900 -9.922 1.00 0.00 C ATOM 1615 CD1 LEU A 537 106.700 2.850 -8.433 1.00 0.00 C ATOM 1616 CD2 LEU A 537 107.541 2.304 -10.725 1.00 0.00 C ATOM 0 H LEU A 537 103.923 1.051 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 537 104.095 3.710 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 537 105.189 1.128 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 537 104.942 2.147 -11.306 1.00 0.00 H new ATOM 0 HG LEU A 537 106.277 3.944 -10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 537 107.633 3.379 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 537 105.890 3.324 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 537 106.797 1.812 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 537 108.462 2.840 -10.496 1.00 0.00 H new ATOM 0 HD22 LEU A 537 107.659 1.252 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 537 107.324 2.393 -11.790 1.00 0.00 H new ATOM 1628 N VAL A 538 102.244 1.940 -11.209 1.00 0.00 N ATOM 1629 CA VAL A 538 101.221 2.053 -12.241 1.00 0.00 C ATOM 1630 C VAL A 538 100.051 2.908 -11.766 1.00 0.00 C ATOM 1631 O VAL A 538 99.498 3.696 -12.533 1.00 0.00 O ATOM 1632 CB VAL A 538 100.699 0.668 -12.664 1.00 0.00 C ATOM 1633 CG1 VAL A 538 99.597 0.803 -13.704 1.00 0.00 C ATOM 1634 CG2 VAL A 538 101.837 -0.191 -13.194 1.00 0.00 C ATOM 0 H VAL A 538 102.507 0.982 -10.977 1.00 0.00 H new ATOM 0 HA VAL A 538 101.688 2.534 -13.101 1.00 0.00 H new ATOM 0 HB VAL A 538 100.279 0.177 -11.786 1.00 0.00 H new ATOM 0 HG11 VAL A 538 99.242 -0.188 -13.989 1.00 0.00 H new ATOM 0 HG12 VAL A 538 98.771 1.378 -13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 538 99.987 1.316 -14.583 1.00 0.00 H new ATOM 0 HG21 VAL A 538 101.450 -1.167 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 538 102.288 0.296 -14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 538 102.589 -0.319 -12.416 1.00 0.00 H new ATOM 1644 N ASP A 539 99.676 2.753 -10.499 1.00 0.00 N ATOM 1645 CA ASP A 539 98.572 3.522 -9.935 1.00 0.00 C ATOM 1646 C ASP A 539 98.910 5.008 -9.907 1.00 0.00 C ATOM 1647 O ASP A 539 98.061 5.856 -10.185 1.00 0.00 O ATOM 1648 CB ASP A 539 98.248 3.037 -8.522 1.00 0.00 C ATOM 1649 CG ASP A 539 96.981 3.663 -7.974 1.00 0.00 C ATOM 1650 OD1 ASP A 539 96.098 4.020 -8.783 1.00 0.00 O ATOM 1651 OD2 ASP A 539 96.870 3.796 -6.738 1.00 0.00 O ATOM 0 H ASP A 539 100.118 2.105 -9.847 1.00 0.00 H new ATOM 0 HA ASP A 539 97.698 3.373 -10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 539 98.141 1.952 -8.528 1.00 0.00 H new ATOM 0 HB3 ASP A 539 99.082 3.271 -7.860 1.00 0.00 H new ATOM 1656 N ARG A 540 100.161 5.316 -9.581 1.00 0.00 N ATOM 1657 CA ARG A 540 100.617 6.698 -9.528 1.00 0.00 C ATOM 1658 C ARG A 540 100.532 7.338 -10.907 1.00 0.00 C ATOM 1659 O ARG A 540 100.138 8.496 -11.045 1.00 0.00 O ATOM 1660 CB ARG A 540 102.050 6.768 -8.999 1.00 0.00 C ATOM 1661 CG ARG A 540 102.186 6.312 -7.554 1.00 0.00 C ATOM 1662 CD ARG A 540 102.494 7.477 -6.628 1.00 0.00 C ATOM 1663 NE ARG A 540 101.609 7.500 -5.465 1.00 0.00 N ATOM 1664 CZ ARG A 540 101.961 7.984 -4.276 1.00 0.00 C ATOM 1665 NH1 ARG A 540 103.173 8.493 -4.094 1.00 0.00 N ATOM 1666 NH2 ARG A 540 101.100 7.962 -3.268 1.00 0.00 N ATOM 0 H ARG A 540 100.876 4.626 -9.350 1.00 0.00 H new ATOM 0 HA ARG A 540 99.968 7.249 -8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 540 102.692 6.151 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 540 102.411 7.793 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 540 101.263 5.828 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 540 102.979 5.567 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 540 103.530 7.411 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 540 102.395 8.413 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 540 100.667 7.123 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 540 103.838 8.514 -4.867 1.00 0.00 H new ATOM 0 HH12 ARG A 540 103.439 8.863 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 540 100.166 7.574 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 540 101.371 8.333 -2.357 1.00 0.00 H new ATOM 1680 N GLN A 541 100.898 6.569 -11.928 1.00 0.00 N ATOM 1681 CA GLN A 541 100.858 7.052 -13.300 1.00 0.00 C ATOM 1682 C GLN A 541 99.428 7.393 -13.702 1.00 0.00 C ATOM 1683 O GLN A 541 99.177 8.415 -14.340 1.00 0.00 O ATOM 1684 CB GLN A 541 101.433 6.000 -14.250 1.00 0.00 C ATOM 1685 CG GLN A 541 102.951 5.946 -14.252 1.00 0.00 C ATOM 1686 CD GLN A 541 103.508 5.168 -13.076 1.00 0.00 C ATOM 1687 OE1 GLN A 541 103.480 3.938 -13.061 1.00 0.00 O ATOM 1688 NE2 GLN A 541 104.016 5.885 -12.079 1.00 0.00 N ATOM 0 H GLN A 541 101.226 5.608 -11.829 1.00 0.00 H new ATOM 0 HA GLN A 541 101.465 7.955 -13.366 1.00 0.00 H new ATOM 0 HB2 GLN A 541 101.043 5.021 -13.972 1.00 0.00 H new ATOM 0 HB3 GLN A 541 101.084 6.207 -15.262 1.00 0.00 H new ATOM 0 HG2 GLN A 541 103.293 5.489 -15.180 1.00 0.00 H new ATOM 0 HG3 GLN A 541 103.347 6.961 -14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 541 104.019 6.904 -12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 541 104.403 5.417 -11.260 1.00 0.00 H new ATOM 1697 N ALA A 542 98.493 6.531 -13.315 1.00 0.00 N ATOM 1698 CA ALA A 542 97.088 6.744 -13.626 1.00 0.00 C ATOM 1699 C ALA A 542 96.591 8.034 -12.988 1.00 0.00 C ATOM 1700 O ALA A 542 95.784 8.759 -13.571 1.00 0.00 O ATOM 1701 CB ALA A 542 96.241 5.567 -13.164 1.00 0.00 C ATOM 0 H ALA A 542 98.685 5.680 -12.786 1.00 0.00 H new ATOM 0 HA ALA A 542 96.992 6.828 -14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 542 95.195 5.753 -13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 542 96.575 4.659 -13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 542 96.345 5.445 -12.086 1.00 0.00 H new ATOM 1707 N LYS A 543 97.086 8.319 -11.787 1.00 0.00 N ATOM 1708 CA LYS A 543 96.700 9.528 -11.070 1.00 0.00 C ATOM 1709 C LYS A 543 97.072 10.769 -11.874 1.00 0.00 C ATOM 1710 O LYS A 543 96.352 11.768 -11.863 1.00 0.00 O ATOM 1711 CB LYS A 543 97.376 9.571 -9.698 1.00 0.00 C ATOM 1712 CG LYS A 543 96.897 8.485 -8.749 1.00 0.00 C ATOM 1713 CD LYS A 543 97.234 8.817 -7.304 1.00 0.00 C ATOM 1714 CE LYS A 543 97.823 7.618 -6.580 1.00 0.00 C ATOM 1715 NZ LYS A 543 97.139 7.357 -5.285 1.00 0.00 N ATOM 0 H LYS A 543 97.754 7.729 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 543 95.619 9.514 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 543 98.454 9.477 -9.830 1.00 0.00 H new ATOM 0 HB3 LYS A 543 97.195 10.545 -9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 543 95.819 8.360 -8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 543 97.356 7.535 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 543 97.943 9.645 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 543 96.334 9.150 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 543 97.744 6.736 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 543 98.885 7.788 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 97.572 6.531 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 97.236 8.188 -4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 96.131 7.169 -5.457 1.00 0.00 H new ATOM 1729 N LEU A 544 98.199 10.697 -12.574 1.00 0.00 N ATOM 1730 CA LEU A 544 98.666 11.812 -13.387 1.00 0.00 C ATOM 1731 C LEU A 544 97.669 12.127 -14.498 1.00 0.00 C ATOM 1732 O LEU A 544 97.654 13.234 -15.037 1.00 0.00 O ATOM 1733 CB LEU A 544 100.037 11.492 -13.989 1.00 0.00 C ATOM 1734 CG LEU A 544 100.781 12.687 -14.590 1.00 0.00 C ATOM 1735 CD1 LEU A 544 100.368 13.980 -13.902 1.00 0.00 C ATOM 1736 CD2 LEU A 544 102.285 12.483 -14.487 1.00 0.00 C ATOM 0 H LEU A 544 98.806 9.877 -12.594 1.00 0.00 H new ATOM 0 HA LEU A 544 98.756 12.688 -12.744 1.00 0.00 H new ATOM 0 HB2 LEU A 544 100.662 11.048 -13.214 1.00 0.00 H new ATOM 0 HB3 LEU A 544 99.908 10.737 -14.765 1.00 0.00 H new ATOM 0 HG LEU A 544 100.514 12.762 -15.644 1.00 0.00 H new ATOM 0 HD11 LEU A 544 100.909 14.816 -14.345 1.00 0.00 H new ATOM 0 HD12 LEU A 544 99.296 14.133 -14.028 1.00 0.00 H new ATOM 0 HD13 LEU A 544 100.603 13.918 -12.839 1.00 0.00 H new ATOM 0 HD21 LEU A 544 102.799 13.342 -14.919 1.00 0.00 H new ATOM 0 HD22 LEU A 544 102.567 12.380 -13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 544 102.568 11.581 -15.029 1.00 0.00 H new ATOM 1748 N ASN A 545 96.836 11.146 -14.835 1.00 0.00 N ATOM 1749 CA ASN A 545 95.834 11.318 -15.881 1.00 0.00 C ATOM 1750 C ASN A 545 96.473 11.846 -17.162 1.00 0.00 C ATOM 1751 O ASN A 545 96.956 11.072 -17.989 1.00 0.00 O ATOM 1752 CB ASN A 545 94.735 12.274 -15.412 1.00 0.00 C ATOM 1753 CG ASN A 545 93.684 11.582 -14.567 1.00 0.00 C ATOM 1754 OD1 ASN A 545 92.508 11.945 -14.599 1.00 0.00 O ATOM 1755 ND2 ASN A 545 94.102 10.580 -13.804 1.00 0.00 N ATOM 0 H ASN A 545 96.836 10.224 -14.399 1.00 0.00 H new ATOM 0 HA ASN A 545 95.392 10.344 -16.091 1.00 0.00 H new ATOM 0 HB2 ASN A 545 95.184 13.084 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN A 545 94.257 12.727 -16.281 1.00 0.00 H new ATOM 0 HD21 ASN A 545 93.439 10.078 -13.213 1.00 0.00 H new ATOM 0 HD22 ASN A 545 95.086 10.312 -13.808 1.00 0.00 H new ATOM 1762 N GLN A 546 96.475 13.166 -17.319 1.00 0.00 N ATOM 1763 CA GLN A 546 97.058 13.796 -18.497 1.00 0.00 C ATOM 1764 C GLN A 546 96.529 13.162 -19.779 1.00 0.00 C ATOM 1765 O GLN A 546 97.071 12.168 -20.262 1.00 0.00 O ATOM 1766 CB GLN A 546 98.582 13.685 -18.456 1.00 0.00 C ATOM 1767 CG GLN A 546 99.289 14.718 -19.317 1.00 0.00 C ATOM 1768 CD GLN A 546 100.578 15.213 -18.692 1.00 0.00 C ATOM 1769 OE1 GLN A 546 101.027 14.693 -17.671 1.00 0.00 O ATOM 1770 NE2 GLN A 546 101.181 16.226 -19.305 1.00 0.00 N ATOM 0 H GLN A 546 96.079 13.820 -16.644 1.00 0.00 H new ATOM 0 HA GLN A 546 96.772 14.848 -18.491 1.00 0.00 H new ATOM 0 HB2 GLN A 546 98.918 13.792 -17.425 1.00 0.00 H new ATOM 0 HB3 GLN A 546 98.875 12.688 -18.785 1.00 0.00 H new ATOM 0 HG2 GLN A 546 99.506 14.285 -20.293 1.00 0.00 H new ATOM 0 HG3 GLN A 546 98.622 15.564 -19.484 1.00 0.00 H new ATOM 0 HE21 GLN A 546 100.773 16.627 -20.150 1.00 0.00 H new ATOM 0 HE22 GLN A 546 102.052 16.603 -18.931 1.00 0.00 H new ATOM 1779 N PRO A 547 95.459 13.737 -20.350 1.00 0.00 N ATOM 1780 CA PRO A 547 94.856 13.232 -21.586 1.00 0.00 C ATOM 1781 C PRO A 547 95.728 13.513 -22.806 1.00 0.00 C ATOM 1782 O PRO A 547 95.539 14.511 -23.501 1.00 0.00 O ATOM 1783 CB PRO A 547 93.539 14.007 -21.677 1.00 0.00 C ATOM 1784 CG PRO A 547 93.797 15.275 -20.938 1.00 0.00 C ATOM 1785 CD PRO A 547 94.760 14.928 -19.834 1.00 0.00 C ATOM 0 HA PRO A 547 94.728 12.150 -21.570 1.00 0.00 H new ATOM 0 HB2 PRO A 547 93.264 14.201 -22.714 1.00 0.00 H new ATOM 0 HB3 PRO A 547 92.718 13.447 -21.229 1.00 0.00 H new ATOM 0 HG2 PRO A 547 94.219 16.032 -21.599 1.00 0.00 H new ATOM 0 HG3 PRO A 547 92.872 15.685 -20.533 1.00 0.00 H new ATOM 0 HD2 PRO A 547 95.453 15.745 -19.634 1.00 0.00 H new ATOM 0 HD3 PRO A 547 94.240 14.715 -18.900 1.00 0.00 H new ATOM 1793 N ARG A 548 96.688 12.628 -23.058 1.00 0.00 N ATOM 1794 CA ARG A 548 97.594 12.784 -24.190 1.00 0.00 C ATOM 1795 C ARG A 548 98.489 14.005 -24.000 1.00 0.00 C ATOM 1796 O ARG A 548 98.080 14.999 -23.400 1.00 0.00 O ATOM 1797 CB ARG A 548 96.803 12.914 -25.496 1.00 0.00 C ATOM 1798 CG ARG A 548 95.549 12.057 -25.538 1.00 0.00 C ATOM 1799 CD ARG A 548 95.887 10.583 -25.695 1.00 0.00 C ATOM 1800 NE ARG A 548 95.738 10.129 -27.075 1.00 0.00 N ATOM 1801 CZ ARG A 548 94.565 9.851 -27.637 1.00 0.00 C ATOM 1802 NH1 ARG A 548 93.445 9.986 -26.940 1.00 0.00 N ATOM 1803 NH2 ARG A 548 94.511 9.441 -28.897 1.00 0.00 N ATOM 0 H ARG A 548 96.858 11.796 -22.493 1.00 0.00 H new ATOM 0 HA ARG A 548 98.223 11.896 -24.245 1.00 0.00 H new ATOM 0 HB2 ARG A 548 96.524 13.958 -25.639 1.00 0.00 H new ATOM 0 HB3 ARG A 548 97.448 12.639 -26.330 1.00 0.00 H new ATOM 0 HG2 ARG A 548 94.975 12.204 -24.623 1.00 0.00 H new ATOM 0 HG3 ARG A 548 94.916 12.377 -26.366 1.00 0.00 H new ATOM 0 HD2 ARG A 548 96.911 10.409 -25.365 1.00 0.00 H new ATOM 0 HD3 ARG A 548 95.239 9.992 -25.047 1.00 0.00 H new ATOM 0 HE ARG A 548 96.580 10.019 -27.639 1.00 0.00 H new ATOM 0 HH11 ARG A 548 93.482 10.303 -25.971 1.00 0.00 H new ATOM 0 HH12 ARG A 548 92.546 9.772 -27.373 1.00 0.00 H new ATOM 0 HH21 ARG A 548 95.370 9.338 -29.437 1.00 0.00 H new ATOM 0 HH22 ARG A 548 93.610 9.228 -29.326 1.00 0.00 H new ATOM 1817 N GLU A 549 99.712 13.925 -24.514 1.00 0.00 N ATOM 1818 CA GLU A 549 100.663 15.025 -24.399 1.00 0.00 C ATOM 1819 C GLU A 549 100.058 16.326 -24.917 1.00 0.00 C ATOM 1820 O GLU A 549 99.087 16.313 -25.673 1.00 0.00 O ATOM 1821 CB GLU A 549 101.945 14.700 -25.168 1.00 0.00 C ATOM 1822 CG GLU A 549 102.613 13.410 -24.720 1.00 0.00 C ATOM 1823 CD GLU A 549 103.723 12.973 -25.656 1.00 0.00 C ATOM 1824 OE1 GLU A 549 103.554 11.938 -26.334 1.00 0.00 O ATOM 1825 OE2 GLU A 549 104.760 13.667 -25.711 1.00 0.00 O ATOM 0 H GLU A 549 100.068 13.110 -25.014 1.00 0.00 H new ATOM 0 HA GLU A 549 100.904 15.155 -23.344 1.00 0.00 H new ATOM 0 HB2 GLU A 549 101.713 14.629 -26.231 1.00 0.00 H new ATOM 0 HB3 GLU A 549 102.649 15.524 -25.049 1.00 0.00 H new ATOM 0 HG2 GLU A 549 103.020 13.545 -23.718 1.00 0.00 H new ATOM 0 HG3 GLU A 549 101.864 12.620 -24.657 1.00 0.00 H new ATOM 1832 N LYS A 550 100.639 17.450 -24.506 1.00 0.00 N ATOM 1833 CA LYS A 550 100.158 18.760 -24.929 1.00 0.00 C ATOM 1834 C LYS A 550 100.639 19.088 -26.339 1.00 0.00 C ATOM 1835 O LYS A 550 101.282 20.113 -26.564 1.00 0.00 O ATOM 1836 CB LYS A 550 100.627 19.842 -23.955 1.00 0.00 C ATOM 1837 CG LYS A 550 99.584 20.918 -23.696 1.00 0.00 C ATOM 1838 CD LYS A 550 99.973 22.238 -24.342 1.00 0.00 C ATOM 1839 CE LYS A 550 98.848 22.791 -25.201 1.00 0.00 C ATOM 1840 NZ LYS A 550 99.111 22.598 -26.654 1.00 0.00 N ATOM 0 H LYS A 550 101.444 17.479 -23.880 1.00 0.00 H new ATOM 0 HA LYS A 550 99.068 18.732 -24.932 1.00 0.00 H new ATOM 0 HB2 LYS A 550 100.898 19.375 -23.008 1.00 0.00 H new ATOM 0 HB3 LYS A 550 101.529 20.309 -24.350 1.00 0.00 H new ATOM 0 HG2 LYS A 550 98.619 20.592 -24.085 1.00 0.00 H new ATOM 0 HG3 LYS A 550 99.464 21.059 -22.622 1.00 0.00 H new ATOM 0 HD2 LYS A 550 100.230 22.961 -23.568 1.00 0.00 H new ATOM 0 HD3 LYS A 550 100.864 22.096 -24.954 1.00 0.00 H new ATOM 0 HE2 LYS A 550 97.912 22.300 -24.933 1.00 0.00 H new ATOM 0 HE3 LYS A 550 98.721 23.853 -24.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 550 99.323 23.516 -27.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 550 99.922 21.959 -26.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 550 98.272 22.183 -27.107 1.00 0.00 H new ATOM 1854 N LYS A 551 100.322 18.211 -27.284 1.00 0.00 N ATOM 1855 CA LYS A 551 100.722 18.406 -28.672 1.00 0.00 C ATOM 1856 C LYS A 551 99.504 18.403 -29.592 1.00 0.00 C ATOM 1857 O LYS A 551 98.827 17.384 -29.740 1.00 0.00 O ATOM 1858 CB LYS A 551 101.703 17.314 -29.099 1.00 0.00 C ATOM 1859 CG LYS A 551 103.163 17.728 -28.986 1.00 0.00 C ATOM 1860 CD LYS A 551 103.928 17.421 -30.263 1.00 0.00 C ATOM 1861 CE LYS A 551 103.986 15.925 -30.531 1.00 0.00 C ATOM 1862 NZ LYS A 551 103.392 15.570 -31.851 1.00 0.00 N ATOM 0 H LYS A 551 99.789 17.358 -27.114 1.00 0.00 H new ATOM 0 HA LYS A 551 101.213 19.376 -28.752 1.00 0.00 H new ATOM 0 HB2 LYS A 551 101.537 16.428 -28.486 1.00 0.00 H new ATOM 0 HB3 LYS A 551 101.493 17.032 -30.131 1.00 0.00 H new ATOM 0 HG2 LYS A 551 103.224 18.795 -28.771 1.00 0.00 H new ATOM 0 HG3 LYS A 551 103.627 17.207 -28.148 1.00 0.00 H new ATOM 0 HD2 LYS A 551 103.451 17.924 -31.104 1.00 0.00 H new ATOM 0 HD3 LYS A 551 104.940 17.818 -30.186 1.00 0.00 H new ATOM 0 HE2 LYS A 551 105.023 15.591 -30.499 1.00 0.00 H new ATOM 0 HE3 LYS A 551 103.455 15.394 -29.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 551 103.452 14.542 -31.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 551 102.395 15.865 -31.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 551 103.914 16.055 -32.608 1.00 0.00 H new ATOM 1876 N ARG A 552 99.232 19.548 -30.211 1.00 0.00 N ATOM 1877 CA ARG A 552 98.097 19.678 -31.117 1.00 0.00 C ATOM 1878 C ARG A 552 98.518 19.397 -32.556 1.00 0.00 C ATOM 1879 O ARG A 552 98.381 18.276 -33.047 1.00 0.00 O ATOM 1880 CB ARG A 552 97.493 21.080 -31.017 1.00 0.00 C ATOM 1881 CG ARG A 552 96.671 21.304 -29.758 1.00 0.00 C ATOM 1882 CD ARG A 552 95.810 22.552 -29.869 1.00 0.00 C ATOM 1883 NE ARG A 552 96.220 23.587 -28.925 1.00 0.00 N ATOM 1884 CZ ARG A 552 96.029 23.503 -27.612 1.00 0.00 C ATOM 1885 NH1 ARG A 552 95.437 22.437 -27.091 1.00 0.00 N ATOM 1886 NH2 ARG A 552 96.429 24.487 -26.819 1.00 0.00 N ATOM 0 H ARG A 552 99.783 20.399 -30.101 1.00 0.00 H new ATOM 0 HA ARG A 552 97.345 18.945 -30.825 1.00 0.00 H new ATOM 0 HB2 ARG A 552 98.297 21.815 -31.051 1.00 0.00 H new ATOM 0 HB3 ARG A 552 96.862 21.257 -31.888 1.00 0.00 H new ATOM 0 HG2 ARG A 552 96.035 20.437 -29.578 1.00 0.00 H new ATOM 0 HG3 ARG A 552 97.336 21.395 -28.899 1.00 0.00 H new ATOM 0 HD2 ARG A 552 95.869 22.944 -30.884 1.00 0.00 H new ATOM 0 HD3 ARG A 552 94.767 22.290 -29.689 1.00 0.00 H new ATOM 0 HE ARG A 552 96.678 24.421 -29.293 1.00 0.00 H new ATOM 0 HH11 ARG A 552 95.127 21.678 -27.698 1.00 0.00 H new ATOM 0 HH12 ARG A 552 95.292 22.376 -26.083 1.00 0.00 H new ATOM 0 HH21 ARG A 552 96.884 25.309 -27.216 1.00 0.00 H new ATOM 0 HH22 ARG A 552 96.282 24.422 -25.812 1.00 0.00 H new ATOM 1900 N GLY A 553 99.029 20.424 -33.224 1.00 0.00 N ATOM 1901 CA GLY A 553 99.463 20.270 -34.601 1.00 0.00 C ATOM 1902 C GLY A 553 100.525 21.279 -34.991 1.00 0.00 C ATOM 1903 O GLY A 553 100.417 22.461 -34.665 1.00 0.00 O ATOM 0 H GLY A 553 99.151 21.360 -32.838 1.00 0.00 H new ATOM 0 HA2 GLY A 553 99.853 19.262 -34.745 1.00 0.00 H new ATOM 0 HA3 GLY A 553 98.604 20.377 -35.263 1.00 0.00 H new ATOM 1907 N THR A 554 101.554 20.814 -35.694 1.00 0.00 N ATOM 1908 CA THR A 554 102.637 21.687 -36.130 1.00 0.00 C ATOM 1909 C THR A 554 102.148 22.682 -37.177 1.00 0.00 C ATOM 1910 O THR A 554 102.811 23.680 -37.458 1.00 0.00 O ATOM 1911 CB THR A 554 103.811 20.880 -36.718 1.00 0.00 C ATOM 1912 OG1 THR A 554 103.589 20.568 -38.099 1.00 0.00 O ATOM 1913 CG2 THR A 554 104.016 19.581 -35.955 1.00 0.00 C ATOM 0 H THR A 554 101.660 19.839 -35.973 1.00 0.00 H new ATOM 0 HA THR A 554 102.983 22.226 -35.248 1.00 0.00 H new ATOM 0 HB THR A 554 104.700 21.504 -36.627 1.00 0.00 H new ATOM 0 HG1 THR A 554 104.350 20.058 -38.446 1.00 0.00 H new ATOM 0 HG21 THR A 554 104.850 19.031 -36.390 1.00 0.00 H new ATOM 0 HG22 THR A 554 104.234 19.803 -34.910 1.00 0.00 H new ATOM 0 HG23 THR A 554 103.111 18.976 -36.016 1.00 0.00 H new ATOM 1921 N GLU A 555 100.981 22.403 -37.749 1.00 0.00 N ATOM 1922 CA GLU A 555 100.399 23.274 -38.764 1.00 0.00 C ATOM 1923 C GLU A 555 98.975 22.847 -39.095 1.00 0.00 C ATOM 1924 O GLU A 555 98.693 22.401 -40.208 1.00 0.00 O ATOM 1925 CB GLU A 555 101.255 23.258 -40.032 1.00 0.00 C ATOM 1926 CG GLU A 555 100.832 24.290 -41.063 1.00 0.00 C ATOM 1927 CD GLU A 555 101.708 25.528 -41.039 1.00 0.00 C ATOM 1928 OE1 GLU A 555 101.230 26.602 -41.461 1.00 0.00 O ATOM 1929 OE2 GLU A 555 102.873 25.422 -40.601 1.00 0.00 O ATOM 0 H GLU A 555 100.420 21.581 -37.527 1.00 0.00 H new ATOM 0 HA GLU A 555 100.372 24.288 -38.364 1.00 0.00 H new ATOM 0 HB2 GLU A 555 102.296 23.433 -39.760 1.00 0.00 H new ATOM 0 HB3 GLU A 555 101.206 22.266 -40.481 1.00 0.00 H new ATOM 0 HG2 GLU A 555 100.868 23.842 -42.056 1.00 0.00 H new ATOM 0 HG3 GLU A 555 99.797 24.578 -40.881 1.00 0.00 H new ATOM 1936 N LYS A 556 98.079 22.986 -38.124 1.00 0.00 N ATOM 1937 CA LYS A 556 96.683 22.613 -38.318 1.00 0.00 C ATOM 1938 C LYS A 556 95.855 23.812 -38.766 1.00 0.00 C ATOM 1939 O LYS A 556 94.821 24.122 -38.173 1.00 0.00 O ATOM 1940 CB LYS A 556 96.102 22.030 -37.029 1.00 0.00 C ATOM 1941 CG LYS A 556 94.884 21.150 -37.260 1.00 0.00 C ATOM 1942 CD LYS A 556 94.914 19.913 -36.378 1.00 0.00 C ATOM 1943 CE LYS A 556 96.031 18.965 -36.784 1.00 0.00 C ATOM 1944 NZ LYS A 556 95.630 18.084 -37.915 1.00 0.00 N ATOM 0 H LYS A 556 98.294 23.353 -37.197 1.00 0.00 H new ATOM 0 HA LYS A 556 96.643 21.855 -39.100 1.00 0.00 H new ATOM 0 HB2 LYS A 556 96.872 21.447 -36.523 1.00 0.00 H new ATOM 0 HB3 LYS A 556 95.830 22.846 -36.360 1.00 0.00 H new ATOM 0 HG2 LYS A 556 93.978 21.721 -37.057 1.00 0.00 H new ATOM 0 HG3 LYS A 556 94.844 20.850 -38.307 1.00 0.00 H new ATOM 0 HD2 LYS A 556 95.048 20.210 -35.338 1.00 0.00 H new ATOM 0 HD3 LYS A 556 93.956 19.397 -36.441 1.00 0.00 H new ATOM 0 HE2 LYS A 556 96.911 19.542 -37.068 1.00 0.00 H new ATOM 0 HE3 LYS A 556 96.315 18.351 -35.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 556 96.420 17.453 -38.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 556 94.806 17.514 -37.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 556 95.384 18.668 -38.740 1.00 0.00 H new ATOM 1958 N LEU A 557 96.314 24.482 -39.817 1.00 0.00 N ATOM 1959 CA LEU A 557 95.612 25.645 -40.345 1.00 0.00 C ATOM 1960 C LEU A 557 95.005 26.472 -39.217 1.00 0.00 C ATOM 1961 O LEU A 557 93.910 27.017 -39.353 1.00 0.00 O ATOM 1962 CB LEU A 557 94.518 25.202 -41.319 1.00 0.00 C ATOM 1963 CG LEU A 557 94.874 23.991 -42.182 1.00 0.00 C ATOM 1964 CD1 LEU A 557 94.415 22.703 -41.514 1.00 0.00 C ATOM 1965 CD2 LEU A 557 94.256 24.124 -43.567 1.00 0.00 C ATOM 0 H LEU A 557 97.168 24.240 -40.319 1.00 0.00 H new ATOM 0 HA LEU A 557 96.332 26.267 -40.876 1.00 0.00 H new ATOM 0 HB2 LEU A 557 93.617 24.972 -40.750 1.00 0.00 H new ATOM 0 HB3 LEU A 557 94.276 26.038 -41.975 1.00 0.00 H new ATOM 0 HG LEU A 557 95.958 23.953 -42.290 1.00 0.00 H new ATOM 0 HD11 LEU A 557 94.678 21.853 -42.144 1.00 0.00 H new ATOM 0 HD12 LEU A 557 94.904 22.601 -40.545 1.00 0.00 H new ATOM 0 HD13 LEU A 557 93.334 22.731 -41.374 1.00 0.00 H new ATOM 0 HD21 LEU A 557 94.519 23.254 -44.168 1.00 0.00 H new ATOM 0 HD22 LEU A 557 93.172 24.188 -43.477 1.00 0.00 H new ATOM 0 HD23 LEU A 557 94.634 25.026 -44.049 1.00 0.00 H new ATOM 1977 N ILE A 558 95.722 26.560 -38.101 1.00 0.00 N ATOM 1978 CA ILE A 558 95.252 27.321 -36.950 1.00 0.00 C ATOM 1979 C ILE A 558 93.954 26.738 -36.400 1.00 0.00 C ATOM 1980 O ILE A 558 93.153 26.168 -37.141 1.00 0.00 O ATOM 1981 CB ILE A 558 95.021 28.801 -37.310 1.00 0.00 C ATOM 1982 CG1 ILE A 558 96.346 29.479 -37.657 1.00 0.00 C ATOM 1983 CG2 ILE A 558 94.332 29.524 -36.162 1.00 0.00 C ATOM 1984 CD1 ILE A 558 96.721 29.362 -39.119 1.00 0.00 C ATOM 0 H ILE A 558 96.630 26.114 -37.970 1.00 0.00 H new ATOM 0 HA ILE A 558 96.030 27.256 -36.190 1.00 0.00 H new ATOM 0 HB ILE A 558 94.373 28.849 -38.185 1.00 0.00 H new ATOM 0 HG12 ILE A 558 96.286 30.534 -37.389 1.00 0.00 H new ATOM 0 HG13 ILE A 558 97.139 29.041 -37.051 1.00 0.00 H new ATOM 0 HG21 ILE A 558 94.176 30.569 -36.431 1.00 0.00 H new ATOM 0 HG22 ILE A 558 93.370 29.053 -35.961 1.00 0.00 H new ATOM 0 HG23 ILE A 558 94.956 29.469 -35.270 1.00 0.00 H new ATOM 0 HD11 ILE A 558 97.672 29.866 -39.292 1.00 0.00 H new ATOM 0 HD12 ILE A 558 96.814 28.310 -39.388 1.00 0.00 H new ATOM 0 HD13 ILE A 558 95.948 29.826 -39.731 1.00 0.00 H new ATOM 1996 N THR A 559 93.751 26.887 -35.094 1.00 0.00 N ATOM 1997 CA THR A 559 92.548 26.380 -34.444 1.00 0.00 C ATOM 1998 C THR A 559 91.850 27.478 -33.652 1.00 0.00 C ATOM 1999 O THR A 559 90.839 28.027 -34.091 1.00 0.00 O ATOM 2000 CB THR A 559 92.869 25.207 -33.499 1.00 0.00 C ATOM 2001 OG1 THR A 559 93.428 24.098 -34.214 1.00 0.00 O ATOM 2002 CG2 THR A 559 91.614 24.734 -32.780 1.00 0.00 C ATOM 0 H THR A 559 94.404 27.355 -34.466 1.00 0.00 H new ATOM 0 HA THR A 559 91.887 26.027 -35.235 1.00 0.00 H new ATOM 0 HB THR A 559 93.597 25.573 -32.775 1.00 0.00 H new ATOM 0 HG1 THR A 559 93.623 23.370 -33.588 1.00 0.00 H new ATOM 0 HG21 THR A 559 91.864 23.905 -32.118 1.00 0.00 H new ATOM 0 HG22 THR A 559 91.200 25.554 -32.194 1.00 0.00 H new ATOM 0 HG23 THR A 559 90.878 24.403 -33.513 1.00 0.00 H new ATOM 2010 N LYS A 560 92.396 27.793 -32.486 1.00 0.00 N ATOM 2011 CA LYS A 560 91.829 28.827 -31.629 1.00 0.00 C ATOM 2012 C LYS A 560 90.475 28.394 -31.078 1.00 0.00 C ATOM 2013 O LYS A 560 89.463 28.449 -31.777 1.00 0.00 O ATOM 2014 CB LYS A 560 91.680 30.137 -32.404 1.00 0.00 C ATOM 2015 CG LYS A 560 92.940 30.552 -33.147 1.00 0.00 C ATOM 2016 CD LYS A 560 93.681 31.656 -32.411 1.00 0.00 C ATOM 2017 CE LYS A 560 94.435 31.116 -31.206 1.00 0.00 C ATOM 2018 NZ LYS A 560 95.461 32.076 -30.716 1.00 0.00 N ATOM 0 H LYS A 560 93.233 27.347 -32.110 1.00 0.00 H new ATOM 0 HA LYS A 560 92.510 28.983 -30.792 1.00 0.00 H new ATOM 0 HB2 LYS A 560 90.864 30.035 -33.119 1.00 0.00 H new ATOM 0 HB3 LYS A 560 91.400 30.930 -31.710 1.00 0.00 H new ATOM 0 HG2 LYS A 560 93.595 29.689 -33.266 1.00 0.00 H new ATOM 0 HG3 LYS A 560 92.678 30.893 -34.148 1.00 0.00 H new ATOM 0 HD2 LYS A 560 94.381 32.142 -33.091 1.00 0.00 H new ATOM 0 HD3 LYS A 560 92.972 32.417 -32.086 1.00 0.00 H new ATOM 0 HE2 LYS A 560 93.729 30.899 -30.404 1.00 0.00 H new ATOM 0 HE3 LYS A 560 94.916 30.175 -31.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 560 95.952 31.670 -29.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 560 96.149 32.264 -31.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 560 94.999 32.966 -30.438 1.00 0.00 H new ATOM 2032 N ALA A 561 90.464 27.962 -29.821 1.00 0.00 N ATOM 2033 CA ALA A 561 89.234 27.519 -29.176 1.00 0.00 C ATOM 2034 C ALA A 561 89.264 27.816 -27.682 1.00 0.00 C ATOM 2035 O ALA A 561 89.183 26.856 -26.887 1.00 0.00 O ATOM 2036 CB ALA A 561 89.002 26.035 -29.414 1.00 0.00 C ATOM 2037 OXT ALA A 561 89.369 29.006 -27.317 1.00 0.00 O ATOM 0 H ALA A 561 91.293 27.909 -29.229 1.00 0.00 H new ATOM 0 HA ALA A 561 88.407 28.074 -29.620 1.00 0.00 H new ATOM 0 HB1 ALA A 561 88.079 25.728 -28.923 1.00 0.00 H new ATOM 0 HB2 ALA A 561 88.924 25.846 -30.485 1.00 0.00 H new ATOM 0 HB3 ALA A 561 89.837 25.466 -29.005 1.00 0.00 H new TER 2043 ALA A 561