USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 151:sc= -0.143 (180deg=-1.92!) USER MOD Single : A 487 GLN : amide:sc= -2.42 K(o=-2.4,f=-3.8!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS :FLIP no HD1:sc= -2.47! C(o=-3!,f=-2.5!) USER MOD Single : A 510 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.9) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot -79:sc= 0.0194 USER MOD Single : A 521 ASN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 523 LYS NZ :NH3+ -177:sc= 0.0657 (180deg=0.0298) USER MOD Single : A 527 SER OG : rot -50:sc= 0.361 USER MOD Single : A 528 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 529 SER OG : rot -88:sc= -0.474 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0854 K(o=-0.085,f=-0.64) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN :FLIP amide:sc= -3.36 F(o=-4.2,f=-3.4) USER MOD Single : A 553 LYS NZ :NH3+ -130:sc= -0.402 (180deg=-1.94) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.0774 K(o=-0.077,f=-2!) USER MOD Single : A 557 MET CE :methyl -138:sc= -0.247 (180deg=-1.8!) USER MOD Single : A 558 GLN : amide:sc= -1.28 K(o=-1.3,f=-2) USER MOD Single : A 564 GLN : amide:sc= -0.066 X(o=-0.066,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 1.296 -0.273 -0.037 1.00 43.21 N ATOM 2 CA MET A 480 2.481 -0.197 -0.884 1.00 70.32 C ATOM 3 C MET A 480 2.961 -1.592 -1.273 1.00 50.02 C ATOM 4 O MET A 480 3.873 -2.140 -0.654 1.00 52.43 O ATOM 5 CB MET A 480 3.601 0.558 -0.166 1.00 14.22 C ATOM 6 CG MET A 480 3.506 2.068 -0.312 1.00 12.30 C ATOM 7 SD MET A 480 4.419 2.687 -1.738 1.00 61.34 S ATOM 8 CE MET A 480 3.303 3.956 -2.330 1.00 41.35 C ATOM 0 HA MET A 480 2.213 0.343 -1.792 1.00 70.32 H new ATOM 0 HB2 MET A 480 3.580 0.301 0.893 1.00 14.22 H new ATOM 0 HB3 MET A 480 4.562 0.223 -0.556 1.00 14.22 H new ATOM 0 HG2 MET A 480 2.458 2.355 -0.404 1.00 12.30 H new ATOM 0 HG3 MET A 480 3.888 2.541 0.592 1.00 12.30 H new ATOM 0 HE1 MET A 480 3.730 4.433 -3.213 1.00 41.35 H new ATOM 0 HE2 MET A 480 2.344 3.506 -2.588 1.00 41.35 H new ATOM 0 HE3 MET A 480 3.155 4.703 -1.550 1.00 41.35 H new ATOM 18 N ALA A 481 2.341 -2.161 -2.302 1.00 12.13 N ATOM 19 CA ALA A 481 2.706 -3.491 -2.774 1.00 3.34 C ATOM 20 C ALA A 481 3.346 -3.426 -4.156 1.00 72.04 C ATOM 21 O ALA A 481 3.538 -2.344 -4.712 1.00 25.23 O ATOM 22 CB ALA A 481 1.484 -4.397 -2.797 1.00 2.10 C ATOM 0 H ALA A 481 1.583 -1.721 -2.825 1.00 12.13 H new ATOM 0 HA ALA A 481 3.439 -3.907 -2.083 1.00 3.34 H new ATOM 0 HB1 ALA A 481 1.772 -5.387 -3.152 1.00 2.10 H new ATOM 0 HB2 ALA A 481 1.072 -4.477 -1.791 1.00 2.10 H new ATOM 0 HB3 ALA A 481 0.732 -3.977 -3.465 1.00 2.10 H new ATOM 28 N ASP A 482 3.673 -4.590 -4.707 1.00 4.05 N ATOM 29 CA ASP A 482 4.291 -4.665 -6.025 1.00 63.43 C ATOM 30 C ASP A 482 3.252 -4.989 -7.094 1.00 64.24 C ATOM 31 O ASP A 482 3.354 -4.531 -8.233 1.00 12.25 O ATOM 32 CB ASP A 482 5.397 -5.722 -6.034 1.00 70.12 C ATOM 33 CG ASP A 482 6.600 -5.295 -6.852 1.00 52.41 C ATOM 34 OD1 ASP A 482 7.035 -6.078 -7.722 1.00 60.10 O ATOM 35 OD2 ASP A 482 7.105 -4.176 -6.623 1.00 24.22 O ATOM 0 H ASP A 482 3.520 -5.494 -4.261 1.00 4.05 H new ATOM 0 HA ASP A 482 4.727 -3.692 -6.251 1.00 63.43 H new ATOM 0 HB2 ASP A 482 5.711 -5.924 -5.010 1.00 70.12 H new ATOM 0 HB3 ASP A 482 5.001 -6.655 -6.436 1.00 70.12 H new ATOM 40 N VAL A 483 2.254 -5.783 -6.721 1.00 31.21 N ATOM 41 CA VAL A 483 1.196 -6.169 -7.647 1.00 42.34 C ATOM 42 C VAL A 483 -0.177 -6.038 -6.999 1.00 13.42 C ATOM 43 O VAL A 483 -1.134 -5.593 -7.631 1.00 51.51 O ATOM 44 CB VAL A 483 1.383 -7.616 -8.141 1.00 55.44 C ATOM 45 CG1 VAL A 483 1.497 -8.572 -6.964 1.00 13.53 C ATOM 46 CG2 VAL A 483 0.235 -8.018 -9.056 1.00 3.12 C ATOM 0 H VAL A 483 2.156 -6.172 -5.783 1.00 31.21 H new ATOM 0 HA VAL A 483 1.258 -5.491 -8.498 1.00 42.34 H new ATOM 0 HB VAL A 483 2.310 -7.670 -8.712 1.00 55.44 H new ATOM 0 HG11 VAL A 483 1.629 -9.589 -7.333 1.00 13.53 H new ATOM 0 HG12 VAL A 483 2.355 -8.294 -6.351 1.00 13.53 H new ATOM 0 HG13 VAL A 483 0.589 -8.519 -6.363 1.00 13.53 H new ATOM 0 HG21 VAL A 483 0.383 -9.043 -9.396 1.00 3.12 H new ATOM 0 HG22 VAL A 483 -0.706 -7.949 -8.511 1.00 3.12 H new ATOM 0 HG23 VAL A 483 0.205 -7.351 -9.917 1.00 3.12 H new ATOM 56 N GLY A 484 -0.267 -6.428 -5.731 1.00 61.40 N ATOM 57 CA GLY A 484 -1.528 -6.346 -5.017 1.00 24.41 C ATOM 58 C GLY A 484 -1.978 -7.690 -4.479 1.00 62.21 C ATOM 59 O GLY A 484 -3.174 -7.933 -4.318 1.00 40.03 O ATOM 0 H GLY A 484 0.511 -6.799 -5.186 1.00 61.40 H new ATOM 0 HA2 GLY A 484 -1.429 -5.642 -4.191 1.00 24.41 H new ATOM 0 HA3 GLY A 484 -2.294 -5.950 -5.683 1.00 24.41 H new ATOM 63 N ASP A 485 -1.018 -8.566 -4.202 1.00 33.11 N ATOM 64 CA ASP A 485 -1.322 -9.893 -3.680 1.00 32.43 C ATOM 65 C ASP A 485 -2.240 -9.802 -2.464 1.00 65.22 C ATOM 66 O ASP A 485 -1.796 -9.480 -1.363 1.00 1.44 O ATOM 67 CB ASP A 485 -0.032 -10.626 -3.307 1.00 13.22 C ATOM 68 CG ASP A 485 -0.138 -12.124 -3.511 1.00 21.44 C ATOM 69 OD1 ASP A 485 -1.082 -12.732 -2.964 1.00 52.14 O ATOM 70 OD2 ASP A 485 0.724 -12.690 -4.215 1.00 44.14 O ATOM 0 H ASP A 485 -0.023 -8.381 -4.330 1.00 33.11 H new ATOM 0 HA ASP A 485 -1.837 -10.454 -4.460 1.00 32.43 H new ATOM 0 HB2 ASP A 485 0.790 -10.238 -3.908 1.00 13.22 H new ATOM 0 HB3 ASP A 485 0.211 -10.420 -2.264 1.00 13.22 H new ATOM 75 N MET A 486 -3.521 -10.087 -2.673 1.00 64.43 N ATOM 76 CA MET A 486 -4.500 -10.037 -1.594 1.00 72.51 C ATOM 77 C MET A 486 -5.208 -11.380 -1.440 1.00 55.33 C ATOM 78 O MET A 486 -5.861 -11.856 -2.368 1.00 73.22 O ATOM 79 CB MET A 486 -5.526 -8.934 -1.858 1.00 51.35 C ATOM 80 CG MET A 486 -6.145 -8.364 -0.593 1.00 13.34 C ATOM 81 SD MET A 486 -6.306 -6.569 -0.645 1.00 41.44 S ATOM 82 CE MET A 486 -5.488 -6.110 0.881 1.00 61.43 C ATOM 0 H MET A 486 -3.905 -10.355 -3.579 1.00 64.43 H new ATOM 0 HA MET A 486 -3.971 -9.816 -0.667 1.00 72.51 H new ATOM 0 HB2 MET A 486 -5.046 -8.128 -2.413 1.00 51.35 H new ATOM 0 HB3 MET A 486 -6.318 -9.330 -2.493 1.00 51.35 H new ATOM 0 HG2 MET A 486 -7.129 -8.809 -0.443 1.00 13.34 H new ATOM 0 HG3 MET A 486 -5.534 -8.645 0.264 1.00 13.34 H new ATOM 0 HE1 MET A 486 -5.049 -5.118 0.774 1.00 61.43 H new ATOM 0 HE2 MET A 486 -6.214 -6.100 1.694 1.00 61.43 H new ATOM 0 HE3 MET A 486 -4.703 -6.832 1.104 1.00 61.43 H new ATOM 92 N GLN A 487 -5.074 -11.983 -0.264 1.00 31.22 N ATOM 93 CA GLN A 487 -5.701 -13.271 0.010 1.00 61.04 C ATOM 94 C GLN A 487 -6.000 -13.426 1.497 1.00 53.00 C ATOM 95 O GLN A 487 -5.628 -12.577 2.308 1.00 43.12 O ATOM 96 CB GLN A 487 -4.798 -14.412 -0.463 1.00 0.04 C ATOM 97 CG GLN A 487 -4.375 -14.291 -1.918 1.00 13.13 C ATOM 98 CD GLN A 487 -3.479 -15.430 -2.362 1.00 3.13 C ATOM 99 OE1 GLN A 487 -2.685 -15.952 -1.579 1.00 5.45 O ATOM 100 NE2 GLN A 487 -3.601 -15.823 -3.624 1.00 53.43 N ATOM 0 H GLN A 487 -4.537 -11.601 0.515 1.00 31.22 H new ATOM 0 HA GLN A 487 -6.643 -13.312 -0.537 1.00 61.04 H new ATOM 0 HB2 GLN A 487 -3.907 -14.443 0.164 1.00 0.04 H new ATOM 0 HB3 GLN A 487 -5.319 -15.359 -0.323 1.00 0.04 H new ATOM 0 HG2 GLN A 487 -5.263 -14.265 -2.550 1.00 13.13 H new ATOM 0 HG3 GLN A 487 -3.853 -13.345 -2.063 1.00 13.13 H new ATOM 0 HE21 GLN A 487 -4.272 -15.363 -4.239 1.00 53.43 H new ATOM 0 HE22 GLN A 487 -3.024 -16.585 -3.979 1.00 53.43 H new ATOM 109 N LEU A 488 -6.675 -14.514 1.849 1.00 34.51 N ATOM 110 CA LEU A 488 -7.026 -14.781 3.240 1.00 64.11 C ATOM 111 C LEU A 488 -6.392 -16.083 3.721 1.00 12.52 C ATOM 112 O LEU A 488 -6.774 -17.169 3.285 1.00 3.10 O ATOM 113 CB LEU A 488 -8.545 -14.851 3.399 1.00 14.34 C ATOM 114 CG LEU A 488 -9.069 -14.877 4.836 1.00 70.32 C ATOM 115 CD1 LEU A 488 -8.915 -13.511 5.486 1.00 65.04 C ATOM 116 CD2 LEU A 488 -10.524 -15.322 4.865 1.00 60.31 C ATOM 0 H LEU A 488 -6.991 -15.226 1.191 1.00 34.51 H new ATOM 0 HA LEU A 488 -6.641 -13.964 3.850 1.00 64.11 H new ATOM 0 HB2 LEU A 488 -8.984 -13.993 2.889 1.00 14.34 H new ATOM 0 HB3 LEU A 488 -8.903 -15.744 2.887 1.00 14.34 H new ATOM 0 HG LEU A 488 -8.478 -15.595 5.404 1.00 70.32 H new ATOM 0 HD11 LEU A 488 -9.293 -13.549 6.508 1.00 65.04 H new ATOM 0 HD12 LEU A 488 -7.862 -13.231 5.499 1.00 65.04 H new ATOM 0 HD13 LEU A 488 -9.480 -12.772 4.918 1.00 65.04 H new ATOM 0 HD21 LEU A 488 -10.880 -15.335 5.895 1.00 60.31 H new ATOM 0 HD22 LEU A 488 -11.128 -14.628 4.281 1.00 60.31 H new ATOM 0 HD23 LEU A 488 -10.607 -16.322 4.440 1.00 60.31 H new ATOM 128 N TYR A 489 -5.425 -15.965 4.624 1.00 63.03 N ATOM 129 CA TYR A 489 -4.738 -17.132 5.164 1.00 31.15 C ATOM 130 C TYR A 489 -5.109 -17.353 6.628 1.00 74.34 C ATOM 131 O TYR A 489 -4.964 -16.457 7.459 1.00 43.11 O ATOM 132 CB TYR A 489 -3.223 -16.966 5.031 1.00 74.35 C ATOM 133 CG TYR A 489 -2.814 -16.001 3.941 1.00 21.11 C ATOM 134 CD1 TYR A 489 -2.723 -14.638 4.192 1.00 3.55 C ATOM 135 CD2 TYR A 489 -2.519 -16.452 2.660 1.00 33.15 C ATOM 136 CE1 TYR A 489 -2.350 -13.752 3.200 1.00 4.42 C ATOM 137 CE2 TYR A 489 -2.144 -15.574 1.663 1.00 51.25 C ATOM 138 CZ TYR A 489 -2.061 -14.225 1.937 1.00 1.31 C ATOM 139 OH TYR A 489 -1.689 -13.346 0.945 1.00 22.33 O ATOM 0 H TYR A 489 -5.099 -15.073 4.997 1.00 63.03 H new ATOM 0 HA TYR A 489 -5.053 -18.004 4.591 1.00 31.15 H new ATOM 0 HB2 TYR A 489 -2.819 -16.619 5.982 1.00 74.35 H new ATOM 0 HB3 TYR A 489 -2.775 -17.939 4.830 1.00 74.35 H new ATOM 0 HD1 TYR A 489 -2.948 -14.264 5.180 1.00 3.55 H new ATOM 0 HD2 TYR A 489 -2.584 -17.508 2.441 1.00 33.15 H new ATOM 0 HE1 TYR A 489 -2.285 -12.695 3.412 1.00 4.42 H new ATOM 0 HE2 TYR A 489 -1.917 -15.942 0.673 1.00 51.25 H new ATOM 0 HH TYR A 489 -1.520 -13.841 0.116 1.00 22.33 H new ATOM 149 N ARG A 490 -5.589 -18.554 6.934 1.00 14.04 N ATOM 150 CA ARG A 490 -5.982 -18.894 8.296 1.00 35.45 C ATOM 151 C ARG A 490 -4.962 -19.830 8.939 1.00 55.01 C ATOM 152 O ARG A 490 -4.566 -20.834 8.346 1.00 53.44 O ATOM 153 CB ARG A 490 -7.365 -19.549 8.302 1.00 13.34 C ATOM 154 CG ARG A 490 -7.432 -20.840 7.503 1.00 43.43 C ATOM 155 CD ARG A 490 -7.520 -22.055 8.413 1.00 53.33 C ATOM 156 NE ARG A 490 -8.268 -23.147 7.796 1.00 63.22 N ATOM 157 CZ ARG A 490 -9.589 -23.148 7.657 1.00 2.35 C ATOM 158 NH1 ARG A 490 -10.304 -22.119 8.090 1.00 53.43 N ATOM 159 NH2 ARG A 490 -10.197 -24.179 7.085 1.00 22.02 N ATOM 0 H ARG A 490 -5.715 -19.307 6.258 1.00 14.04 H new ATOM 0 HA ARG A 490 -6.021 -17.972 8.877 1.00 35.45 H new ATOM 0 HB2 ARG A 490 -7.656 -19.754 9.332 1.00 13.34 H new ATOM 0 HB3 ARG A 490 -8.093 -18.845 7.899 1.00 13.34 H new ATOM 0 HG2 ARG A 490 -8.299 -20.816 6.842 1.00 43.43 H new ATOM 0 HG3 ARG A 490 -6.550 -20.923 6.868 1.00 43.43 H new ATOM 0 HD2 ARG A 490 -6.515 -22.397 8.659 1.00 53.33 H new ATOM 0 HD3 ARG A 490 -7.999 -21.772 9.351 1.00 53.33 H new ATOM 0 HE ARG A 490 -7.747 -23.954 7.453 1.00 63.22 H new ATOM 0 HH11 ARG A 490 -9.840 -21.325 8.531 1.00 53.43 H new ATOM 0 HH12 ARG A 490 -11.318 -22.121 7.982 1.00 53.43 H new ATOM 0 HH21 ARG A 490 -9.650 -24.973 6.751 1.00 22.02 H new ATOM 0 HH22 ARG A 490 -11.211 -24.178 6.979 1.00 22.02 H new ATOM 173 N ILE A 491 -4.542 -19.494 10.154 1.00 43.45 N ATOM 174 CA ILE A 491 -3.569 -20.304 10.876 1.00 41.40 C ATOM 175 C ILE A 491 -4.256 -21.221 11.881 1.00 20.35 C ATOM 176 O ILE A 491 -5.446 -21.073 12.159 1.00 64.30 O ATOM 177 CB ILE A 491 -2.544 -19.425 11.617 1.00 41.21 C ATOM 178 CG1 ILE A 491 -3.227 -18.644 12.741 1.00 13.40 C ATOM 179 CG2 ILE A 491 -1.859 -18.475 10.645 1.00 74.41 C ATOM 180 CD1 ILE A 491 -2.275 -17.792 13.551 1.00 41.24 C ATOM 0 H ILE A 491 -4.860 -18.667 10.659 1.00 43.45 H new ATOM 0 HA ILE A 491 -3.048 -20.908 10.133 1.00 41.40 H new ATOM 0 HB ILE A 491 -1.785 -20.071 12.058 1.00 41.21 H new ATOM 0 HG12 ILE A 491 -3.998 -18.004 12.311 1.00 13.40 H new ATOM 0 HG13 ILE A 491 -3.729 -19.346 13.407 1.00 13.40 H new ATOM 0 HG21 ILE A 491 -1.138 -17.861 11.184 1.00 74.41 H new ATOM 0 HG22 ILE A 491 -1.343 -19.050 9.876 1.00 74.41 H new ATOM 0 HG23 ILE A 491 -2.605 -17.832 10.177 1.00 74.41 H new ATOM 0 HD11 ILE A 491 -2.829 -17.267 14.329 1.00 41.24 H new ATOM 0 HD12 ILE A 491 -1.518 -18.428 14.010 1.00 41.24 H new ATOM 0 HD13 ILE A 491 -1.791 -17.066 12.898 1.00 41.24 H new ATOM 192 N GLU A 492 -3.497 -22.168 12.425 1.00 34.12 N ATOM 193 CA GLU A 492 -4.034 -23.109 13.401 1.00 30.22 C ATOM 194 C GLU A 492 -3.711 -22.661 14.824 1.00 62.13 C ATOM 195 O GLU A 492 -3.205 -23.440 15.632 1.00 42.20 O ATOM 196 CB GLU A 492 -3.470 -24.510 13.155 1.00 20.15 C ATOM 197 CG GLU A 492 -4.170 -25.597 13.954 1.00 51.11 C ATOM 198 CD GLU A 492 -4.021 -26.969 13.327 1.00 24.50 C ATOM 199 OE1 GLU A 492 -4.260 -27.972 14.032 1.00 25.22 O ATOM 200 OE2 GLU A 492 -3.665 -27.041 12.132 1.00 24.24 O ATOM 0 H GLU A 492 -2.510 -22.303 12.207 1.00 34.12 H new ATOM 0 HA GLU A 492 -5.117 -23.136 13.284 1.00 30.22 H new ATOM 0 HB2 GLU A 492 -3.549 -24.743 12.093 1.00 20.15 H new ATOM 0 HB3 GLU A 492 -2.409 -24.514 13.404 1.00 20.15 H new ATOM 0 HG2 GLU A 492 -3.764 -25.618 14.965 1.00 51.11 H new ATOM 0 HG3 GLU A 492 -5.229 -25.354 14.041 1.00 51.11 H new ATOM 207 N VAL A 493 -4.006 -21.400 15.122 1.00 14.02 N ATOM 208 CA VAL A 493 -3.748 -20.847 16.446 1.00 33.14 C ATOM 209 C VAL A 493 -4.848 -19.876 16.861 1.00 75.43 C ATOM 210 O VAL A 493 -5.335 -19.090 16.049 1.00 32.31 O ATOM 211 CB VAL A 493 -2.392 -20.120 16.496 1.00 4.24 C ATOM 212 CG1 VAL A 493 -1.975 -19.864 17.937 1.00 72.22 C ATOM 213 CG2 VAL A 493 -1.330 -20.923 15.760 1.00 3.23 C ATOM 0 H VAL A 493 -4.424 -20.742 14.464 1.00 14.02 H new ATOM 0 HA VAL A 493 -3.728 -21.687 17.141 1.00 33.14 H new ATOM 0 HB VAL A 493 -2.498 -19.157 15.997 1.00 4.24 H new ATOM 0 HG11 VAL A 493 -1.014 -19.349 17.952 1.00 72.22 H new ATOM 0 HG12 VAL A 493 -2.726 -19.245 18.429 1.00 72.22 H new ATOM 0 HG13 VAL A 493 -1.886 -20.814 18.464 1.00 72.22 H new ATOM 0 HG21 VAL A 493 -0.378 -20.394 15.805 1.00 3.23 H new ATOM 0 HG22 VAL A 493 -1.224 -21.902 16.228 1.00 3.23 H new ATOM 0 HG23 VAL A 493 -1.626 -21.049 14.719 1.00 3.23 H new ATOM 223 N GLY A 494 -5.236 -19.937 18.131 1.00 12.21 N ATOM 224 CA GLY A 494 -6.276 -19.057 18.632 1.00 74.51 C ATOM 225 C GLY A 494 -6.095 -18.721 20.099 1.00 43.04 C ATOM 226 O GLY A 494 -5.055 -19.019 20.687 1.00 71.34 O ATOM 0 H GLY A 494 -4.849 -20.580 18.822 1.00 12.21 H new ATOM 0 HA2 GLY A 494 -6.280 -18.136 18.049 1.00 74.51 H new ATOM 0 HA3 GLY A 494 -7.248 -19.529 18.488 1.00 74.51 H new ATOM 230 N ARG A 495 -7.108 -18.097 20.691 1.00 45.53 N ATOM 231 CA ARG A 495 -7.053 -17.716 22.097 1.00 35.42 C ATOM 232 C ARG A 495 -6.750 -18.926 22.976 1.00 32.31 C ATOM 233 O ARG A 495 -6.028 -18.820 23.968 1.00 74.43 O ATOM 234 CB ARG A 495 -8.376 -17.079 22.527 1.00 74.55 C ATOM 235 CG ARG A 495 -9.598 -17.905 22.157 1.00 51.34 C ATOM 236 CD ARG A 495 -10.866 -17.326 22.765 1.00 31.40 C ATOM 237 NE ARG A 495 -11.855 -18.361 23.055 1.00 73.03 N ATOM 238 CZ ARG A 495 -11.766 -19.195 24.085 1.00 55.11 C ATOM 239 NH1 ARG A 495 -10.739 -19.116 24.919 1.00 12.03 N ATOM 240 NH2 ARG A 495 -12.707 -20.110 24.282 1.00 1.03 N ATOM 0 H ARG A 495 -7.976 -17.845 20.219 1.00 45.53 H new ATOM 0 HA ARG A 495 -6.251 -16.989 22.219 1.00 35.42 H new ATOM 0 HB2 ARG A 495 -8.363 -16.928 23.606 1.00 74.55 H new ATOM 0 HB3 ARG A 495 -8.461 -16.094 22.068 1.00 74.55 H new ATOM 0 HG2 ARG A 495 -9.698 -17.943 21.072 1.00 51.34 H new ATOM 0 HG3 ARG A 495 -9.463 -18.930 22.501 1.00 51.34 H new ATOM 0 HD2 ARG A 495 -10.618 -16.794 23.683 1.00 31.40 H new ATOM 0 HD3 ARG A 495 -11.296 -16.595 22.080 1.00 31.40 H new ATOM 0 HE ARG A 495 -12.658 -18.448 22.432 1.00 73.03 H new ATOM 0 HH11 ARG A 495 -10.014 -18.414 24.771 1.00 12.03 H new ATOM 0 HH12 ARG A 495 -10.673 -19.758 25.709 1.00 12.03 H new ATOM 0 HH21 ARG A 495 -13.499 -20.173 23.642 1.00 1.03 H new ATOM 0 HH22 ARG A 495 -12.638 -20.750 25.073 1.00 1.03 H new ATOM 254 N ASP A 496 -7.307 -20.074 22.606 1.00 63.33 N ATOM 255 CA ASP A 496 -7.096 -21.305 23.360 1.00 43.44 C ATOM 256 C ASP A 496 -5.659 -21.795 23.209 1.00 50.24 C ATOM 257 O ASP A 496 -5.184 -22.608 24.001 1.00 4.04 O ATOM 258 CB ASP A 496 -8.069 -22.388 22.892 1.00 11.21 C ATOM 259 CG ASP A 496 -8.474 -23.325 24.013 1.00 71.13 C ATOM 260 OD1 ASP A 496 -8.632 -22.849 25.156 1.00 5.12 O ATOM 261 OD2 ASP A 496 -8.633 -24.535 23.747 1.00 63.15 O ATOM 0 H ASP A 496 -7.908 -20.178 21.789 1.00 63.33 H new ATOM 0 HA ASP A 496 -7.280 -21.093 24.413 1.00 43.44 H new ATOM 0 HB2 ASP A 496 -8.960 -21.917 22.476 1.00 11.21 H new ATOM 0 HB3 ASP A 496 -7.609 -22.964 22.089 1.00 11.21 H new ATOM 266 N ASP A 497 -4.974 -21.296 22.186 1.00 44.20 N ATOM 267 CA ASP A 497 -3.591 -21.683 21.931 1.00 41.23 C ATOM 268 C ASP A 497 -2.623 -20.687 22.562 1.00 64.32 C ATOM 269 O ASP A 497 -1.594 -21.072 23.116 1.00 62.34 O ATOM 270 CB ASP A 497 -3.335 -21.778 20.426 1.00 72.03 C ATOM 271 CG ASP A 497 -2.109 -22.607 20.098 1.00 20.22 C ATOM 272 OD1 ASP A 497 -1.174 -22.635 20.925 1.00 30.22 O ATOM 273 OD2 ASP A 497 -2.084 -23.228 19.014 1.00 0.53 O ATOM 0 H ASP A 497 -5.353 -20.623 21.520 1.00 44.20 H new ATOM 0 HA ASP A 497 -3.424 -22.661 22.383 1.00 41.23 H new ATOM 0 HB2 ASP A 497 -4.207 -22.216 19.939 1.00 72.03 H new ATOM 0 HB3 ASP A 497 -3.212 -20.775 20.017 1.00 72.03 H new ATOM 278 N GLY A 498 -2.959 -19.404 22.473 1.00 53.01 N ATOM 279 CA GLY A 498 -2.109 -18.373 23.038 1.00 2.03 C ATOM 280 C GLY A 498 -1.886 -17.217 22.084 1.00 54.24 C ATOM 281 O GLY A 498 -0.808 -16.623 22.056 1.00 33.13 O ATOM 0 H GLY A 498 -3.805 -19.060 22.019 1.00 53.01 H new ATOM 0 HA2 GLY A 498 -2.559 -17.999 23.958 1.00 2.03 H new ATOM 0 HA3 GLY A 498 -1.147 -18.808 23.308 1.00 2.03 H new ATOM 285 N VAL A 499 -2.908 -16.896 21.296 1.00 35.43 N ATOM 286 CA VAL A 499 -2.820 -15.804 20.335 1.00 43.12 C ATOM 287 C VAL A 499 -4.081 -14.948 20.357 1.00 32.14 C ATOM 288 O VAL A 499 -5.172 -15.441 20.644 1.00 43.12 O ATOM 289 CB VAL A 499 -2.596 -16.331 18.905 1.00 21.41 C ATOM 290 CG1 VAL A 499 -3.900 -16.846 18.315 1.00 12.32 C ATOM 291 CG2 VAL A 499 -1.995 -15.246 18.025 1.00 3.22 C ATOM 0 H VAL A 499 -3.807 -17.378 21.305 1.00 35.43 H new ATOM 0 HA VAL A 499 -1.965 -15.194 20.628 1.00 43.12 H new ATOM 0 HB VAL A 499 -1.892 -17.162 18.949 1.00 21.41 H new ATOM 0 HG11 VAL A 499 -3.722 -17.214 17.305 1.00 12.32 H new ATOM 0 HG12 VAL A 499 -4.284 -17.657 18.934 1.00 12.32 H new ATOM 0 HG13 VAL A 499 -4.630 -16.037 18.283 1.00 12.32 H new ATOM 0 HG21 VAL A 499 -1.844 -15.636 17.019 1.00 3.22 H new ATOM 0 HG22 VAL A 499 -2.672 -14.393 17.985 1.00 3.22 H new ATOM 0 HG23 VAL A 499 -1.038 -14.930 18.439 1.00 3.22 H new ATOM 301 N GLU A 500 -3.924 -13.664 20.053 1.00 41.31 N ATOM 302 CA GLU A 500 -5.051 -12.739 20.039 1.00 74.13 C ATOM 303 C GLU A 500 -5.123 -11.989 18.712 1.00 51.31 C ATOM 304 O GLU A 500 -4.379 -12.286 17.777 1.00 55.22 O ATOM 305 CB GLU A 500 -4.937 -11.743 21.195 1.00 74.22 C ATOM 306 CG GLU A 500 -4.494 -12.377 22.503 1.00 61.04 C ATOM 307 CD GLU A 500 -5.109 -11.705 23.715 1.00 44.42 C ATOM 308 OE1 GLU A 500 -5.714 -10.625 23.552 1.00 74.14 O ATOM 309 OE2 GLU A 500 -4.984 -12.259 24.827 1.00 44.10 O ATOM 0 H GLU A 500 -3.028 -13.241 19.813 1.00 41.31 H new ATOM 0 HA GLU A 500 -5.966 -13.320 20.158 1.00 74.13 H new ATOM 0 HB2 GLU A 500 -4.228 -10.961 20.921 1.00 74.22 H new ATOM 0 HB3 GLU A 500 -5.903 -11.260 21.344 1.00 74.22 H new ATOM 0 HG2 GLU A 500 -4.765 -13.433 22.501 1.00 61.04 H new ATOM 0 HG3 GLU A 500 -3.408 -12.327 22.577 1.00 61.04 H new ATOM 316 N VAL A 501 -6.024 -11.015 18.638 1.00 54.54 N ATOM 317 CA VAL A 501 -6.194 -10.221 17.427 1.00 51.45 C ATOM 318 C VAL A 501 -5.079 -9.191 17.284 1.00 50.12 C ATOM 319 O VAL A 501 -4.669 -8.855 16.173 1.00 52.34 O ATOM 320 CB VAL A 501 -7.553 -9.495 17.417 1.00 45.21 C ATOM 321 CG1 VAL A 501 -7.675 -8.607 16.188 1.00 10.10 C ATOM 322 CG2 VAL A 501 -8.693 -10.499 17.475 1.00 73.52 C ATOM 0 H VAL A 501 -6.648 -10.757 19.403 1.00 54.54 H new ATOM 0 HA VAL A 501 -6.155 -10.914 16.587 1.00 51.45 H new ATOM 0 HB VAL A 501 -7.613 -8.860 18.301 1.00 45.21 H new ATOM 0 HG11 VAL A 501 -8.641 -8.102 16.198 1.00 10.10 H new ATOM 0 HG12 VAL A 501 -6.878 -7.864 16.195 1.00 10.10 H new ATOM 0 HG13 VAL A 501 -7.594 -9.217 15.289 1.00 10.10 H new ATOM 0 HG21 VAL A 501 -9.645 -9.969 17.467 1.00 73.52 H new ATOM 0 HG22 VAL A 501 -8.639 -11.161 16.611 1.00 73.52 H new ATOM 0 HG23 VAL A 501 -8.613 -11.088 18.389 1.00 73.52 H new ATOM 332 N ARG A 502 -4.592 -8.694 18.416 1.00 43.31 N ATOM 333 CA ARG A 502 -3.524 -7.701 18.417 1.00 22.23 C ATOM 334 C ARG A 502 -2.155 -8.375 18.415 1.00 21.44 C ATOM 335 O ARG A 502 -1.122 -7.706 18.383 1.00 24.24 O ATOM 336 CB ARG A 502 -3.651 -6.785 19.636 1.00 74.31 C ATOM 337 CG ARG A 502 -3.710 -7.534 20.957 1.00 20.32 C ATOM 338 CD ARG A 502 -3.459 -6.606 22.135 1.00 22.13 C ATOM 339 NE ARG A 502 -4.618 -5.767 22.428 1.00 62.11 N ATOM 340 CZ ARG A 502 -4.623 -4.819 23.358 1.00 3.02 C ATOM 341 NH1 ARG A 502 -3.536 -4.590 24.082 1.00 24.31 N ATOM 342 NH2 ARG A 502 -5.716 -4.097 23.566 1.00 54.13 N ATOM 0 H ARG A 502 -4.920 -8.962 19.344 1.00 43.31 H new ATOM 0 HA ARG A 502 -3.617 -7.103 17.510 1.00 22.23 H new ATOM 0 HB2 ARG A 502 -2.804 -6.099 19.654 1.00 74.31 H new ATOM 0 HB3 ARG A 502 -4.550 -6.178 19.532 1.00 74.31 H new ATOM 0 HG2 ARG A 502 -4.687 -8.006 21.066 1.00 20.32 H new ATOM 0 HG3 ARG A 502 -2.968 -8.333 20.957 1.00 20.32 H new ATOM 0 HD2 ARG A 502 -3.208 -7.198 23.015 1.00 22.13 H new ATOM 0 HD3 ARG A 502 -2.598 -5.973 21.921 1.00 22.13 H new ATOM 0 HE ARG A 502 -5.471 -5.917 21.889 1.00 62.11 H new ATOM 0 HH11 ARG A 502 -2.693 -5.143 23.925 1.00 24.31 H new ATOM 0 HH12 ARG A 502 -3.543 -3.861 24.796 1.00 24.31 H new ATOM 0 HH21 ARG A 502 -6.554 -4.270 23.011 1.00 54.13 H new ATOM 0 HH22 ARG A 502 -5.718 -3.369 24.281 1.00 54.13 H new ATOM 356 N HIS A 503 -2.155 -9.704 18.450 1.00 33.24 N ATOM 357 CA HIS A 503 -0.913 -10.469 18.453 1.00 75.34 C ATOM 358 C HIS A 503 -0.393 -10.664 17.032 1.00 43.12 C ATOM 359 O HIS A 503 0.732 -10.276 16.714 1.00 22.35 O ATOM 360 CB HIS A 503 -1.128 -11.828 19.120 1.00 11.13 C ATOM 361 CG HIS A 503 0.091 -12.354 19.813 1.00 63.44 C ATOM 362 ND1 HIS A 503 0.219 -13.116 20.924 1.00 14.51 N flip ATOM 363 CD2 HIS A 503 1.374 -12.109 19.369 1.00 73.40 C flip ATOM 364 CE1 HIS A 503 1.562 -13.316 21.129 1.00 50.12 C flip ATOM 365 NE2 HIS A 503 2.237 -12.698 20.177 1.00 32.00 N flip ATOM 0 H HIS A 503 -3.001 -10.273 18.477 1.00 33.24 H new ATOM 0 HA HIS A 503 -0.170 -9.908 19.020 1.00 75.34 H new ATOM 0 HB2 HIS A 503 -1.939 -11.744 19.843 1.00 11.13 H new ATOM 0 HB3 HIS A 503 -1.446 -12.548 18.366 1.00 11.13 H new ATOM 0 HD2 HIS A 503 1.632 -11.527 18.497 1.00 73.40 H new ATOM 0 HE1 HIS A 503 1.996 -13.886 21.937 1.00 50.12 H new ATOM 0 HE2 HIS A 503 3.252 -12.679 20.082 1.00 32.00 H new ATOM 373 N ILE A 504 -1.217 -11.267 16.182 1.00 12.11 N ATOM 374 CA ILE A 504 -0.839 -11.512 14.796 1.00 74.21 C ATOM 375 C ILE A 504 -0.788 -10.212 14.002 1.00 53.45 C ATOM 376 O ILE A 504 -0.073 -10.108 13.005 1.00 1.31 O ATOM 377 CB ILE A 504 -1.819 -12.482 14.109 1.00 63.23 C ATOM 378 CG1 ILE A 504 -3.107 -11.753 13.724 1.00 54.32 C ATOM 379 CG2 ILE A 504 -2.123 -13.662 15.020 1.00 12.52 C ATOM 380 CD1 ILE A 504 -3.971 -11.384 14.910 1.00 24.31 C ATOM 0 H ILE A 504 -2.151 -11.595 16.429 1.00 12.11 H new ATOM 0 HA ILE A 504 0.153 -11.963 14.814 1.00 74.21 H new ATOM 0 HB ILE A 504 -1.353 -12.861 13.199 1.00 63.23 H new ATOM 0 HG12 ILE A 504 -2.852 -10.847 13.175 1.00 54.32 H new ATOM 0 HG13 ILE A 504 -3.683 -12.384 13.047 1.00 54.32 H new ATOM 0 HG21 ILE A 504 -2.817 -14.338 14.520 1.00 12.52 H new ATOM 0 HG22 ILE A 504 -1.199 -14.193 15.248 1.00 12.52 H new ATOM 0 HG23 ILE A 504 -2.571 -13.301 15.946 1.00 12.52 H new ATOM 0 HD11 ILE A 504 -4.867 -10.870 14.562 1.00 24.31 H new ATOM 0 HD12 ILE A 504 -4.257 -12.288 15.447 1.00 24.31 H new ATOM 0 HD13 ILE A 504 -3.412 -10.727 15.577 1.00 24.31 H new ATOM 392 N VAL A 505 -1.551 -9.220 14.451 1.00 52.14 N ATOM 393 CA VAL A 505 -1.591 -7.924 13.784 1.00 50.11 C ATOM 394 C VAL A 505 -0.385 -7.072 14.165 1.00 71.50 C ATOM 395 O VAL A 505 0.369 -6.624 13.302 1.00 13.15 O ATOM 396 CB VAL A 505 -2.879 -7.154 14.130 1.00 13.13 C ATOM 397 CG1 VAL A 505 -2.799 -5.722 13.623 1.00 63.21 C ATOM 398 CG2 VAL A 505 -4.095 -7.864 13.555 1.00 31.51 C ATOM 0 H VAL A 505 -2.150 -9.289 15.274 1.00 52.14 H new ATOM 0 HA VAL A 505 -1.570 -8.119 12.712 1.00 50.11 H new ATOM 0 HB VAL A 505 -2.983 -7.125 15.215 1.00 13.13 H new ATOM 0 HG11 VAL A 505 -3.718 -5.194 13.877 1.00 63.21 H new ATOM 0 HG12 VAL A 505 -1.951 -5.218 14.087 1.00 63.21 H new ATOM 0 HG13 VAL A 505 -2.670 -5.726 12.541 1.00 63.21 H new ATOM 0 HG21 VAL A 505 -4.996 -7.306 13.809 1.00 31.51 H new ATOM 0 HG22 VAL A 505 -4.001 -7.927 12.471 1.00 31.51 H new ATOM 0 HG23 VAL A 505 -4.161 -8.869 13.972 1.00 31.51 H new ATOM 408 N GLY A 506 -0.209 -6.854 15.465 1.00 44.14 N ATOM 409 CA GLY A 506 0.908 -6.057 15.938 1.00 40.11 C ATOM 410 C GLY A 506 2.247 -6.619 15.503 1.00 51.10 C ATOM 411 O GLY A 506 3.249 -5.905 15.478 1.00 53.33 O ATOM 0 H GLY A 506 -0.819 -7.215 16.198 1.00 44.14 H new ATOM 0 HA2 GLY A 506 0.807 -5.038 15.565 1.00 40.11 H new ATOM 0 HA3 GLY A 506 0.877 -6.003 17.026 1.00 40.11 H new ATOM 415 N ALA A 507 2.265 -7.903 15.161 1.00 20.13 N ATOM 416 CA ALA A 507 3.491 -8.560 14.725 1.00 32.43 C ATOM 417 C ALA A 507 3.798 -8.238 13.267 1.00 52.22 C ATOM 418 O ALA A 507 4.843 -7.667 12.954 1.00 23.25 O ATOM 419 CB ALA A 507 3.382 -10.065 14.923 1.00 21.05 C ATOM 0 H ALA A 507 1.445 -8.509 15.177 1.00 20.13 H new ATOM 0 HA ALA A 507 4.312 -8.182 15.334 1.00 32.43 H new ATOM 0 HB1 ALA A 507 4.304 -10.543 14.593 1.00 21.05 H new ATOM 0 HB2 ALA A 507 3.218 -10.282 15.978 1.00 21.05 H new ATOM 0 HB3 ALA A 507 2.545 -10.449 14.339 1.00 21.05 H new ATOM 425 N ILE A 508 2.881 -8.607 12.379 1.00 62.05 N ATOM 426 CA ILE A 508 3.055 -8.356 10.953 1.00 32.22 C ATOM 427 C ILE A 508 3.027 -6.862 10.651 1.00 52.24 C ATOM 428 O ILE A 508 3.502 -6.421 9.605 1.00 43.02 O ATOM 429 CB ILE A 508 1.965 -9.058 10.121 1.00 11.53 C ATOM 430 CG1 ILE A 508 0.582 -8.520 10.495 1.00 1.41 C ATOM 431 CG2 ILE A 508 2.027 -10.563 10.329 1.00 62.44 C ATOM 432 CD1 ILE A 508 0.114 -7.388 9.607 1.00 12.13 C ATOM 0 H ILE A 508 2.011 -9.080 12.621 1.00 62.05 H new ATOM 0 HA ILE A 508 4.028 -8.762 10.677 1.00 32.22 H new ATOM 0 HB ILE A 508 2.143 -8.849 9.066 1.00 11.53 H new ATOM 0 HG12 ILE A 508 -0.141 -9.334 10.444 1.00 1.41 H new ATOM 0 HG13 ILE A 508 0.602 -8.175 11.529 1.00 1.41 H new ATOM 0 HG21 ILE A 508 1.251 -11.045 9.735 1.00 62.44 H new ATOM 0 HG22 ILE A 508 3.004 -10.933 10.018 1.00 62.44 H new ATOM 0 HG23 ILE A 508 1.871 -10.791 11.383 1.00 62.44 H new ATOM 0 HD11 ILE A 508 -0.873 -7.056 9.930 1.00 12.13 H new ATOM 0 HD12 ILE A 508 0.816 -6.557 9.676 1.00 12.13 H new ATOM 0 HD13 ILE A 508 0.061 -7.734 8.575 1.00 12.13 H new ATOM 444 N ALA A 509 2.468 -6.087 11.574 1.00 34.14 N ATOM 445 CA ALA A 509 2.381 -4.642 11.409 1.00 40.55 C ATOM 446 C ALA A 509 3.628 -3.951 11.951 1.00 34.03 C ATOM 447 O ALA A 509 3.894 -2.792 11.636 1.00 73.24 O ATOM 448 CB ALA A 509 1.135 -4.105 12.098 1.00 5.22 C ATOM 0 H ALA A 509 2.068 -6.436 12.445 1.00 34.14 H new ATOM 0 HA ALA A 509 2.313 -4.427 10.343 1.00 40.55 H new ATOM 0 HB1 ALA A 509 1.084 -3.024 11.966 1.00 5.22 H new ATOM 0 HB2 ALA A 509 0.250 -4.566 11.660 1.00 5.22 H new ATOM 0 HB3 ALA A 509 1.178 -4.339 13.162 1.00 5.22 H new ATOM 454 N ASN A 510 4.388 -4.671 12.770 1.00 10.31 N ATOM 455 CA ASN A 510 5.606 -4.126 13.358 1.00 45.01 C ATOM 456 C ASN A 510 6.840 -4.618 12.607 1.00 71.02 C ATOM 457 O ASN A 510 7.884 -3.966 12.614 1.00 34.32 O ATOM 458 CB ASN A 510 5.705 -4.517 14.834 1.00 75.22 C ATOM 459 CG ASN A 510 6.894 -3.877 15.524 1.00 74.11 C ATOM 460 OD1 ASN A 510 7.511 -2.954 14.992 1.00 31.13 O ATOM 461 ND2 ASN A 510 7.220 -4.366 16.714 1.00 23.15 N ATOM 0 H ASN A 510 4.182 -5.632 13.041 1.00 10.31 H new ATOM 0 HA ASN A 510 5.563 -3.040 13.279 1.00 45.01 H new ATOM 0 HB2 ASN A 510 4.789 -4.223 15.347 1.00 75.22 H new ATOM 0 HB3 ASN A 510 5.782 -5.601 14.915 1.00 75.22 H new ATOM 0 HD21 ASN A 510 8.011 -3.976 17.226 1.00 23.15 H new ATOM 0 HD22 ASN A 510 6.680 -5.132 17.116 1.00 23.15 H new ATOM 468 N GLU A 511 6.711 -5.772 11.959 1.00 14.22 N ATOM 469 CA GLU A 511 7.815 -6.351 11.203 1.00 2.35 C ATOM 470 C GLU A 511 8.119 -5.519 9.961 1.00 42.22 C ATOM 471 O GLU A 511 9.279 -5.311 9.608 1.00 4.12 O ATOM 472 CB GLU A 511 7.487 -7.790 10.800 1.00 42.34 C ATOM 473 CG GLU A 511 6.419 -7.891 9.723 1.00 25.53 C ATOM 474 CD GLU A 511 6.068 -9.327 9.384 1.00 12.03 C ATOM 475 OE1 GLU A 511 5.452 -9.553 8.322 1.00 44.44 O ATOM 476 OE2 GLU A 511 6.409 -10.225 10.183 1.00 71.05 O ATOM 0 H GLU A 511 5.853 -6.324 11.943 1.00 14.22 H new ATOM 0 HA GLU A 511 8.698 -6.353 11.842 1.00 2.35 H new ATOM 0 HB2 GLU A 511 8.396 -8.275 10.445 1.00 42.34 H new ATOM 0 HB3 GLU A 511 7.156 -8.339 11.681 1.00 42.34 H new ATOM 0 HG2 GLU A 511 5.521 -7.370 10.056 1.00 25.53 H new ATOM 0 HG3 GLU A 511 6.766 -7.383 8.823 1.00 25.53 H new ATOM 483 N GLY A 512 7.067 -5.046 9.300 1.00 13.43 N ATOM 484 CA GLY A 512 7.241 -4.243 8.104 1.00 2.31 C ATOM 485 C GLY A 512 6.624 -2.865 8.236 1.00 52.44 C ATOM 486 O GLY A 512 6.824 -2.180 9.239 1.00 25.31 O ATOM 0 H GLY A 512 6.097 -5.205 9.572 1.00 13.43 H new ATOM 0 HA2 GLY A 512 8.305 -4.142 7.889 1.00 2.31 H new ATOM 0 HA3 GLY A 512 6.792 -4.759 7.255 1.00 2.31 H new ATOM 490 N ASP A 513 5.872 -2.456 7.220 1.00 40.44 N ATOM 491 CA ASP A 513 5.224 -1.149 7.225 1.00 34.45 C ATOM 492 C ASP A 513 3.717 -1.292 7.416 1.00 53.44 C ATOM 493 O ASP A 513 3.016 -0.307 7.651 1.00 35.24 O ATOM 494 CB ASP A 513 5.518 -0.404 5.923 1.00 72.45 C ATOM 495 CG ASP A 513 6.730 0.499 6.033 1.00 1.22 C ATOM 496 OD1 ASP A 513 7.477 0.615 5.039 1.00 62.21 O ATOM 497 OD2 ASP A 513 6.931 1.091 7.114 1.00 44.31 O ATOM 0 H ASP A 513 5.696 -3.011 6.382 1.00 40.44 H new ATOM 0 HA ASP A 513 5.626 -0.575 8.060 1.00 34.45 H new ATOM 0 HB2 ASP A 513 5.679 -1.127 5.123 1.00 72.45 H new ATOM 0 HB3 ASP A 513 4.649 0.192 5.645 1.00 72.45 H new ATOM 502 N ILE A 514 3.226 -2.522 7.310 1.00 12.23 N ATOM 503 CA ILE A 514 1.802 -2.792 7.471 1.00 65.13 C ATOM 504 C ILE A 514 1.269 -2.183 8.763 1.00 44.41 C ATOM 505 O ILE A 514 1.928 -2.230 9.802 1.00 60.13 O ATOM 506 CB ILE A 514 1.513 -4.305 7.472 1.00 3.23 C ATOM 507 CG1 ILE A 514 1.980 -4.937 6.159 1.00 3.34 C ATOM 508 CG2 ILE A 514 0.030 -4.560 7.691 1.00 34.22 C ATOM 509 CD1 ILE A 514 2.543 -6.331 6.326 1.00 33.03 C ATOM 0 H ILE A 514 3.793 -3.347 7.113 1.00 12.23 H new ATOM 0 HA ILE A 514 1.296 -2.334 6.621 1.00 65.13 H new ATOM 0 HB ILE A 514 2.066 -4.765 8.291 1.00 3.23 H new ATOM 0 HG12 ILE A 514 1.141 -4.974 5.464 1.00 3.34 H new ATOM 0 HG13 ILE A 514 2.740 -4.299 5.708 1.00 3.34 H new ATOM 0 HG21 ILE A 514 -0.159 -5.634 7.689 1.00 34.22 H new ATOM 0 HG22 ILE A 514 -0.274 -4.140 8.650 1.00 34.22 H new ATOM 0 HG23 ILE A 514 -0.542 -4.090 6.891 1.00 34.22 H new ATOM 0 HD11 ILE A 514 2.854 -6.717 5.355 1.00 33.03 H new ATOM 0 HD12 ILE A 514 3.402 -6.298 6.996 1.00 33.03 H new ATOM 0 HD13 ILE A 514 1.779 -6.984 6.748 1.00 33.03 H new ATOM 521 N SER A 515 0.071 -1.612 8.691 1.00 2.51 N ATOM 522 CA SER A 515 -0.551 -0.991 9.855 1.00 45.31 C ATOM 523 C SER A 515 -1.777 -1.780 10.302 1.00 70.43 C ATOM 524 O SER A 515 -2.255 -2.662 9.588 1.00 22.53 O ATOM 525 CB SER A 515 -0.947 0.453 9.539 1.00 62.25 C ATOM 526 OG SER A 515 -0.871 1.268 10.695 1.00 23.33 O ATOM 0 H SER A 515 -0.488 -1.566 7.839 1.00 2.51 H new ATOM 0 HA SER A 515 0.176 -0.992 10.667 1.00 45.31 H new ATOM 0 HB2 SER A 515 -0.291 0.852 8.765 1.00 62.25 H new ATOM 0 HB3 SER A 515 -1.961 0.476 9.140 1.00 62.25 H new ATOM 0 HG SER A 515 -1.127 2.186 10.466 1.00 23.33 H new ATOM 532 N SER A 516 -2.282 -1.457 11.488 1.00 4.30 N ATOM 533 CA SER A 516 -3.450 -2.138 12.033 1.00 11.43 C ATOM 534 C SER A 516 -4.692 -1.839 11.199 1.00 42.53 C ATOM 535 O SER A 516 -5.650 -2.611 11.193 1.00 32.20 O ATOM 536 CB SER A 516 -3.683 -1.713 13.485 1.00 61.24 C ATOM 537 OG SER A 516 -2.699 -2.267 14.342 1.00 54.43 O ATOM 0 H SER A 516 -1.900 -0.728 12.090 1.00 4.30 H new ATOM 0 HA SER A 516 -3.262 -3.211 12.001 1.00 11.43 H new ATOM 0 HB2 SER A 516 -3.662 -0.626 13.557 1.00 61.24 H new ATOM 0 HB3 SER A 516 -4.673 -2.035 13.807 1.00 61.24 H new ATOM 0 HG SER A 516 -2.868 -1.980 15.263 1.00 54.43 H new ATOM 543 N ARG A 517 -4.666 -0.712 10.495 1.00 54.43 N ATOM 544 CA ARG A 517 -5.790 -0.309 9.657 1.00 4.41 C ATOM 545 C ARG A 517 -5.599 -0.791 8.222 1.00 24.53 C ATOM 546 O ARG A 517 -6.567 -1.084 7.521 1.00 53.22 O ATOM 547 CB ARG A 517 -5.948 1.213 9.678 1.00 75.24 C ATOM 548 CG ARG A 517 -4.670 1.963 9.342 1.00 51.32 C ATOM 549 CD ARG A 517 -4.961 3.387 8.895 1.00 11.52 C ATOM 550 NE ARG A 517 -5.074 3.494 7.443 1.00 63.50 N ATOM 551 CZ ARG A 517 -5.687 4.497 6.825 1.00 63.33 C ATOM 552 NH1 ARG A 517 -6.239 5.475 7.529 1.00 51.24 N ATOM 553 NH2 ARG A 517 -5.748 4.523 5.499 1.00 23.25 N ATOM 0 H ARG A 517 -3.880 -0.062 10.488 1.00 54.43 H new ATOM 0 HA ARG A 517 -6.693 -0.768 10.059 1.00 4.41 H new ATOM 0 HB2 ARG A 517 -6.724 1.499 8.968 1.00 75.24 H new ATOM 0 HB3 ARG A 517 -6.291 1.521 10.666 1.00 75.24 H new ATOM 0 HG2 ARG A 517 -4.017 1.981 10.215 1.00 51.32 H new ATOM 0 HG3 ARG A 517 -4.134 1.435 8.553 1.00 51.32 H new ATOM 0 HD2 ARG A 517 -5.887 3.729 9.357 1.00 11.52 H new ATOM 0 HD3 ARG A 517 -4.167 4.046 9.246 1.00 11.52 H new ATOM 0 HE ARG A 517 -4.659 2.758 6.872 1.00 63.50 H new ATOM 0 HH11 ARG A 517 -6.194 5.458 8.548 1.00 51.24 H new ATOM 0 HH12 ARG A 517 -6.709 6.244 7.052 1.00 51.24 H new ATOM 0 HH21 ARG A 517 -5.324 3.772 4.954 1.00 23.25 H new ATOM 0 HH22 ARG A 517 -6.219 5.294 5.025 1.00 23.25 H new ATOM 567 N TYR A 518 -4.344 -0.872 7.793 1.00 72.01 N ATOM 568 CA TYR A 518 -4.026 -1.316 6.441 1.00 31.41 C ATOM 569 C TYR A 518 -4.448 -2.767 6.231 1.00 31.52 C ATOM 570 O TYR A 518 -4.932 -3.136 5.160 1.00 24.14 O ATOM 571 CB TYR A 518 -2.528 -1.165 6.171 1.00 31.12 C ATOM 572 CG TYR A 518 -2.215 -0.458 4.872 1.00 74.12 C ATOM 573 CD1 TYR A 518 -2.609 -0.996 3.653 1.00 53.01 C ATOM 574 CD2 TYR A 518 -1.527 0.749 4.863 1.00 24.33 C ATOM 575 CE1 TYR A 518 -2.325 -0.354 2.463 1.00 1.34 C ATOM 576 CE2 TYR A 518 -1.239 1.399 3.679 1.00 71.23 C ATOM 577 CZ TYR A 518 -1.640 0.843 2.481 1.00 1.35 C ATOM 578 OH TYR A 518 -1.356 1.487 1.299 1.00 60.12 O ATOM 0 H TYR A 518 -3.531 -0.636 8.362 1.00 72.01 H new ATOM 0 HA TYR A 518 -4.580 -0.690 5.741 1.00 31.41 H new ATOM 0 HB2 TYR A 518 -2.073 -0.614 6.994 1.00 31.12 H new ATOM 0 HB3 TYR A 518 -2.069 -2.153 6.157 1.00 31.12 H new ATOM 0 HD1 TYR A 518 -3.147 -1.932 3.635 1.00 53.01 H new ATOM 0 HD2 TYR A 518 -1.212 1.187 5.799 1.00 24.33 H new ATOM 0 HE1 TYR A 518 -2.638 -0.787 1.524 1.00 1.34 H new ATOM 0 HE2 TYR A 518 -0.703 2.337 3.690 1.00 71.23 H new ATOM 0 HH TYR A 518 -0.584 1.061 0.872 1.00 60.12 H new ATOM 588 N ILE A 519 -4.262 -3.586 7.261 1.00 1.34 N ATOM 589 CA ILE A 519 -4.624 -4.996 7.192 1.00 54.24 C ATOM 590 C ILE A 519 -6.082 -5.169 6.779 1.00 13.24 C ATOM 591 O ILE A 519 -6.944 -4.378 7.161 1.00 73.30 O ATOM 592 CB ILE A 519 -4.397 -5.703 8.541 1.00 64.14 C ATOM 593 CG1 ILE A 519 -2.927 -5.601 8.953 1.00 2.31 C ATOM 594 CG2 ILE A 519 -4.828 -7.159 8.455 1.00 71.45 C ATOM 595 CD1 ILE A 519 -2.729 -5.394 10.438 1.00 11.35 C ATOM 0 H ILE A 519 -3.862 -3.297 8.154 1.00 1.34 H new ATOM 0 HA ILE A 519 -3.979 -5.451 6.440 1.00 54.24 H new ATOM 0 HB ILE A 519 -5.004 -5.209 9.300 1.00 64.14 H new ATOM 0 HG12 ILE A 519 -2.409 -6.510 8.649 1.00 2.31 H new ATOM 0 HG13 ILE A 519 -2.463 -4.775 8.414 1.00 2.31 H new ATOM 0 HG21 ILE A 519 -4.661 -7.645 9.416 1.00 71.45 H new ATOM 0 HG22 ILE A 519 -5.887 -7.211 8.201 1.00 71.45 H new ATOM 0 HG23 ILE A 519 -4.245 -7.666 7.686 1.00 71.45 H new ATOM 0 HD11 ILE A 519 -1.663 -5.331 10.658 1.00 11.35 H new ATOM 0 HD12 ILE A 519 -3.218 -4.470 10.745 1.00 11.35 H new ATOM 0 HD13 ILE A 519 -3.163 -6.232 10.983 1.00 11.35 H new ATOM 607 N GLY A 520 -6.351 -6.211 5.998 1.00 12.41 N ATOM 608 CA GLY A 520 -7.706 -6.470 5.548 1.00 33.22 C ATOM 609 C GLY A 520 -8.588 -7.021 6.651 1.00 22.52 C ATOM 610 O GLY A 520 -8.771 -6.382 7.686 1.00 22.43 O ATOM 0 H GLY A 520 -5.655 -6.880 5.669 1.00 12.41 H new ATOM 0 HA2 GLY A 520 -8.141 -5.547 5.166 1.00 33.22 H new ATOM 0 HA3 GLY A 520 -7.681 -7.178 4.719 1.00 33.22 H new ATOM 614 N ASN A 521 -9.137 -8.211 6.429 1.00 60.22 N ATOM 615 CA ASN A 521 -10.006 -8.847 7.412 1.00 75.53 C ATOM 616 C ASN A 521 -9.213 -9.790 8.311 1.00 64.21 C ATOM 617 O ASN A 521 -8.532 -10.696 7.830 1.00 64.33 O ATOM 618 CB ASN A 521 -11.127 -9.617 6.710 1.00 61.34 C ATOM 619 CG ASN A 521 -11.981 -8.723 5.832 1.00 11.11 C ATOM 620 OD1 ASN A 521 -13.084 -8.331 6.213 1.00 11.24 O ATOM 621 ND2 ASN A 521 -11.474 -8.396 4.649 1.00 22.21 N ATOM 0 H ASN A 521 -8.995 -8.754 5.577 1.00 60.22 H new ATOM 0 HA ASN A 521 -10.444 -8.065 8.032 1.00 75.53 H new ATOM 0 HB2 ASN A 521 -10.693 -10.411 6.102 1.00 61.34 H new ATOM 0 HB3 ASN A 521 -11.758 -10.097 7.458 1.00 61.34 H new ATOM 0 HD21 ASN A 521 -12.003 -7.797 4.015 1.00 22.21 H new ATOM 0 HD22 ASN A 521 -10.555 -8.744 4.374 1.00 22.21 H new ATOM 628 N ILE A 522 -9.306 -9.570 9.618 1.00 22.40 N ATOM 629 CA ILE A 522 -8.598 -10.401 10.584 1.00 21.12 C ATOM 630 C ILE A 522 -9.574 -11.144 11.490 1.00 71.11 C ATOM 631 O ILE A 522 -10.525 -10.559 12.009 1.00 31.21 O ATOM 632 CB ILE A 522 -7.643 -9.563 11.455 1.00 55.20 C ATOM 633 CG1 ILE A 522 -6.777 -8.659 10.576 1.00 40.04 C ATOM 634 CG2 ILE A 522 -6.773 -10.470 12.311 1.00 21.41 C ATOM 635 CD1 ILE A 522 -7.106 -7.189 10.711 1.00 3.35 C ATOM 0 H ILE A 522 -9.864 -8.824 10.032 1.00 22.40 H new ATOM 0 HA ILE A 522 -8.015 -11.123 10.012 1.00 21.12 H new ATOM 0 HB ILE A 522 -8.237 -8.933 12.117 1.00 55.20 H new ATOM 0 HG12 ILE A 522 -5.729 -8.813 10.832 1.00 40.04 H new ATOM 0 HG13 ILE A 522 -6.898 -8.956 9.534 1.00 40.04 H new ATOM 0 HG21 ILE A 522 -6.104 -9.863 12.921 1.00 21.41 H new ATOM 0 HG22 ILE A 522 -7.406 -11.075 12.960 1.00 21.41 H new ATOM 0 HG23 ILE A 522 -6.184 -11.123 11.667 1.00 21.41 H new ATOM 0 HD11 ILE A 522 -6.453 -6.609 10.059 1.00 3.35 H new ATOM 0 HD12 ILE A 522 -8.145 -7.021 10.427 1.00 3.35 H new ATOM 0 HD13 ILE A 522 -6.958 -6.876 11.745 1.00 3.35 H new ATOM 647 N LYS A 523 -9.332 -12.437 11.677 1.00 2.04 N ATOM 648 CA LYS A 523 -10.187 -13.261 12.523 1.00 23.42 C ATOM 649 C LYS A 523 -9.392 -13.863 13.678 1.00 12.31 C ATOM 650 O LYS A 523 -8.181 -14.060 13.575 1.00 23.42 O ATOM 651 CB LYS A 523 -10.831 -14.377 11.698 1.00 35.41 C ATOM 652 CG LYS A 523 -12.085 -14.955 12.331 1.00 34.13 C ATOM 653 CD LYS A 523 -12.435 -16.310 11.740 1.00 74.24 C ATOM 654 CE LYS A 523 -13.939 -16.478 11.581 1.00 2.25 C ATOM 655 NZ LYS A 523 -14.661 -16.244 12.863 1.00 62.22 N ATOM 0 H LYS A 523 -8.550 -12.937 11.254 1.00 2.04 H new ATOM 0 HA LYS A 523 -10.969 -12.624 12.936 1.00 23.42 H new ATOM 0 HB2 LYS A 523 -11.078 -13.990 10.709 1.00 35.41 H new ATOM 0 HB3 LYS A 523 -10.105 -15.177 11.555 1.00 35.41 H new ATOM 0 HG2 LYS A 523 -11.938 -15.053 13.407 1.00 34.13 H new ATOM 0 HG3 LYS A 523 -12.918 -14.267 12.184 1.00 34.13 H new ATOM 0 HD2 LYS A 523 -11.951 -16.421 10.770 1.00 74.24 H new ATOM 0 HD3 LYS A 523 -12.046 -17.100 12.382 1.00 74.24 H new ATOM 0 HE2 LYS A 523 -14.305 -15.782 10.826 1.00 2.25 H new ATOM 0 HE3 LYS A 523 -14.156 -17.483 11.220 1.00 2.25 H new ATOM 0 HZ1 LYS A 523 -15.677 -16.417 12.726 1.00 62.22 H new ATOM 0 HZ2 LYS A 523 -14.295 -16.890 13.591 1.00 62.22 H new ATOM 0 HZ3 LYS A 523 -14.516 -15.261 13.169 1.00 62.22 H new ATOM 669 N LEU A 524 -10.081 -14.153 14.776 1.00 11.22 N ATOM 670 CA LEU A 524 -9.440 -14.734 15.951 1.00 42.43 C ATOM 671 C LEU A 524 -10.366 -15.731 16.639 1.00 24.33 C ATOM 672 O LEU A 524 -11.169 -15.360 17.496 1.00 63.25 O ATOM 673 CB LEU A 524 -9.037 -13.632 16.933 1.00 22.51 C ATOM 674 CG LEU A 524 -8.057 -14.041 18.034 1.00 52.40 C ATOM 675 CD1 LEU A 524 -8.754 -14.901 19.077 1.00 52.24 C ATOM 676 CD2 LEU A 524 -6.866 -14.779 17.441 1.00 2.40 C ATOM 0 H LEU A 524 -11.084 -13.995 14.877 1.00 11.22 H new ATOM 0 HA LEU A 524 -8.546 -15.264 15.623 1.00 42.43 H new ATOM 0 HB2 LEU A 524 -8.595 -12.812 16.367 1.00 22.51 H new ATOM 0 HB3 LEU A 524 -9.940 -13.244 17.404 1.00 22.51 H new ATOM 0 HG LEU A 524 -7.692 -13.138 18.523 1.00 52.40 H new ATOM 0 HD11 LEU A 524 -8.041 -15.182 19.852 1.00 52.24 H new ATOM 0 HD12 LEU A 524 -9.573 -14.338 19.524 1.00 52.24 H new ATOM 0 HD13 LEU A 524 -9.148 -15.800 18.603 1.00 52.24 H new ATOM 0 HD21 LEU A 524 -6.179 -15.062 18.239 1.00 2.40 H new ATOM 0 HD22 LEU A 524 -7.213 -15.675 16.926 1.00 2.40 H new ATOM 0 HD23 LEU A 524 -6.351 -14.129 16.733 1.00 2.40 H new ATOM 688 N PHE A 525 -10.246 -17.000 16.261 1.00 14.31 N ATOM 689 CA PHE A 525 -11.072 -18.052 16.843 1.00 43.30 C ATOM 690 C PHE A 525 -10.389 -18.668 18.060 1.00 23.03 C ATOM 691 O PHE A 525 -9.411 -18.128 18.576 1.00 23.03 O ATOM 692 CB PHE A 525 -11.361 -19.136 15.803 1.00 32.10 C ATOM 693 CG PHE A 525 -12.809 -19.528 15.733 1.00 54.13 C ATOM 694 CD1 PHE A 525 -13.211 -20.810 16.071 1.00 31.05 C ATOM 695 CD2 PHE A 525 -13.769 -18.614 15.328 1.00 32.14 C ATOM 696 CE1 PHE A 525 -14.543 -21.173 16.007 1.00 60.22 C ATOM 697 CE2 PHE A 525 -15.103 -18.972 15.262 1.00 2.52 C ATOM 698 CZ PHE A 525 -15.490 -20.253 15.603 1.00 52.41 C ATOM 0 H PHE A 525 -9.585 -17.324 15.555 1.00 14.31 H new ATOM 0 HA PHE A 525 -12.013 -17.606 17.164 1.00 43.30 H new ATOM 0 HB2 PHE A 525 -11.041 -18.783 14.823 1.00 32.10 H new ATOM 0 HB3 PHE A 525 -10.765 -20.019 16.034 1.00 32.10 H new ATOM 0 HD1 PHE A 525 -12.475 -21.534 16.388 1.00 31.05 H new ATOM 0 HD2 PHE A 525 -13.472 -17.611 15.061 1.00 32.14 H new ATOM 0 HE1 PHE A 525 -14.843 -22.176 16.273 1.00 60.22 H new ATOM 0 HE2 PHE A 525 -15.841 -18.251 14.944 1.00 2.52 H new ATOM 0 HZ PHE A 525 -16.531 -20.535 15.554 1.00 52.41 H new ATOM 708 N ALA A 526 -10.912 -19.802 18.514 1.00 34.11 N ATOM 709 CA ALA A 526 -10.353 -20.493 19.669 1.00 33.33 C ATOM 710 C ALA A 526 -8.991 -21.095 19.342 1.00 30.44 C ATOM 711 O ALA A 526 -8.087 -21.099 20.178 1.00 61.33 O ATOM 712 CB ALA A 526 -11.309 -21.575 20.150 1.00 20.05 C ATOM 0 H ALA A 526 -11.723 -20.262 18.099 1.00 34.11 H new ATOM 0 HA ALA A 526 -10.216 -19.763 20.467 1.00 33.33 H new ATOM 0 HB1 ALA A 526 -10.879 -22.083 21.013 1.00 20.05 H new ATOM 0 HB2 ALA A 526 -12.259 -21.122 20.432 1.00 20.05 H new ATOM 0 HB3 ALA A 526 -11.475 -22.296 19.350 1.00 20.05 H new ATOM 718 N SER A 527 -8.851 -21.604 18.122 1.00 33.24 N ATOM 719 CA SER A 527 -7.600 -22.213 17.687 1.00 71.41 C ATOM 720 C SER A 527 -7.317 -21.886 16.224 1.00 70.42 C ATOM 721 O SER A 527 -6.720 -22.685 15.501 1.00 5.05 O ATOM 722 CB SER A 527 -7.652 -23.730 17.882 1.00 41.05 C ATOM 723 OG SER A 527 -6.365 -24.307 17.738 1.00 55.22 O ATOM 0 H SER A 527 -9.589 -21.607 17.418 1.00 33.24 H new ATOM 0 HA SER A 527 -6.794 -21.803 18.295 1.00 71.41 H new ATOM 0 HB2 SER A 527 -8.048 -23.959 18.871 1.00 41.05 H new ATOM 0 HB3 SER A 527 -8.335 -24.170 17.155 1.00 41.05 H new ATOM 0 HG SER A 527 -5.955 -23.988 16.907 1.00 55.22 H new ATOM 729 N HIS A 528 -7.751 -20.706 15.793 1.00 2.12 N ATOM 730 CA HIS A 528 -7.544 -20.271 14.416 1.00 31.52 C ATOM 731 C HIS A 528 -7.553 -18.749 14.320 1.00 53.22 C ATOM 732 O HIS A 528 -7.998 -18.062 15.239 1.00 3.43 O ATOM 733 CB HIS A 528 -8.624 -20.858 13.507 1.00 62.35 C ATOM 734 CG HIS A 528 -8.415 -22.306 13.185 1.00 24.24 C ATOM 735 ND1 HIS A 528 -8.951 -23.329 13.939 1.00 63.23 N ATOM 736 CD2 HIS A 528 -7.724 -22.900 12.184 1.00 31.12 C ATOM 737 CE1 HIS A 528 -8.598 -24.490 13.416 1.00 44.23 C ATOM 738 NE2 HIS A 528 -7.853 -24.257 12.350 1.00 72.23 N ATOM 0 H HIS A 528 -8.248 -20.034 16.377 1.00 2.12 H new ATOM 0 HA HIS A 528 -6.569 -20.632 14.089 1.00 31.52 H new ATOM 0 HB2 HIS A 528 -9.595 -20.738 13.986 1.00 62.35 H new ATOM 0 HB3 HIS A 528 -8.654 -20.289 12.578 1.00 62.35 H new ATOM 0 HD2 HIS A 528 -7.174 -22.400 11.401 1.00 31.12 H new ATOM 0 HE1 HIS A 528 -8.872 -25.463 13.795 1.00 44.23 H new ATOM 0 HE2 HIS A 528 -7.441 -24.970 11.748 1.00 72.23 H new ATOM 746 N SER A 529 -7.059 -18.229 13.201 1.00 52.51 N ATOM 747 CA SER A 529 -7.006 -16.787 12.986 1.00 34.14 C ATOM 748 C SER A 529 -6.687 -16.466 11.530 1.00 65.04 C ATOM 749 O SER A 529 -5.768 -17.039 10.942 1.00 53.32 O ATOM 750 CB SER A 529 -5.959 -16.152 13.902 1.00 4.05 C ATOM 751 OG SER A 529 -5.053 -17.125 14.393 1.00 21.21 O ATOM 0 H SER A 529 -6.690 -18.784 12.429 1.00 52.51 H new ATOM 0 HA SER A 529 -7.986 -16.373 13.224 1.00 34.14 H new ATOM 0 HB2 SER A 529 -5.412 -15.384 13.356 1.00 4.05 H new ATOM 0 HB3 SER A 529 -6.454 -15.657 14.738 1.00 4.05 H new ATOM 0 HG SER A 529 -5.410 -17.518 15.217 1.00 21.21 H new ATOM 757 N THR A 530 -7.451 -15.545 10.951 1.00 13.04 N ATOM 758 CA THR A 530 -7.252 -15.147 9.564 1.00 63.34 C ATOM 759 C THR A 530 -6.695 -13.731 9.472 1.00 23.31 C ATOM 760 O THR A 530 -6.718 -12.981 10.448 1.00 23.14 O ATOM 761 CB THR A 530 -8.566 -15.223 8.763 1.00 4.41 C ATOM 762 OG1 THR A 530 -9.422 -14.133 9.123 1.00 44.41 O ATOM 763 CG2 THR A 530 -9.280 -16.541 9.019 1.00 71.03 C ATOM 0 H THR A 530 -8.214 -15.060 11.423 1.00 13.04 H new ATOM 0 HA THR A 530 -6.533 -15.845 9.136 1.00 63.34 H new ATOM 0 HB THR A 530 -8.324 -15.160 7.702 1.00 4.41 H new ATOM 0 HG1 THR A 530 -10.254 -14.187 8.609 1.00 44.41 H new ATOM 0 HG21 THR A 530 -10.205 -16.572 8.443 1.00 71.03 H new ATOM 0 HG22 THR A 530 -8.637 -17.368 8.717 1.00 71.03 H new ATOM 0 HG23 THR A 530 -9.511 -16.630 10.081 1.00 71.03 H new ATOM 771 N ILE A 531 -6.196 -13.372 8.294 1.00 3.34 N ATOM 772 CA ILE A 531 -5.635 -12.044 8.076 1.00 25.31 C ATOM 773 C ILE A 531 -5.274 -11.834 6.609 1.00 30.34 C ATOM 774 O ILE A 531 -4.769 -12.741 5.949 1.00 73.34 O ATOM 775 CB ILE A 531 -4.380 -11.814 8.939 1.00 31.54 C ATOM 776 CG1 ILE A 531 -3.771 -10.444 8.638 1.00 42.33 C ATOM 777 CG2 ILE A 531 -3.361 -12.918 8.697 1.00 11.05 C ATOM 778 CD1 ILE A 531 -2.948 -9.884 9.777 1.00 64.41 C ATOM 0 H ILE A 531 -6.169 -13.981 7.477 1.00 3.34 H new ATOM 0 HA ILE A 531 -6.402 -11.326 8.366 1.00 25.31 H new ATOM 0 HB ILE A 531 -4.670 -11.838 9.989 1.00 31.54 H new ATOM 0 HG12 ILE A 531 -3.143 -10.522 7.751 1.00 42.33 H new ATOM 0 HG13 ILE A 531 -4.572 -9.744 8.401 1.00 42.33 H new ATOM 0 HG21 ILE A 531 -2.480 -12.741 9.314 1.00 11.05 H new ATOM 0 HG22 ILE A 531 -3.799 -13.881 8.958 1.00 11.05 H new ATOM 0 HG23 ILE A 531 -3.073 -12.923 7.646 1.00 11.05 H new ATOM 0 HD11 ILE A 531 -2.548 -8.911 9.492 1.00 64.41 H new ATOM 0 HD12 ILE A 531 -3.577 -9.773 10.660 1.00 64.41 H new ATOM 0 HD13 ILE A 531 -2.126 -10.564 10.000 1.00 64.41 H new ATOM 790 N GLU A 532 -5.535 -10.631 6.108 1.00 73.23 N ATOM 791 CA GLU A 532 -5.237 -10.302 4.719 1.00 61.21 C ATOM 792 C GLU A 532 -4.218 -9.169 4.635 1.00 73.11 C ATOM 793 O GLU A 532 -4.441 -8.078 5.162 1.00 21.30 O ATOM 794 CB GLU A 532 -6.517 -9.908 3.979 1.00 42.03 C ATOM 795 CG GLU A 532 -6.313 -9.678 2.491 1.00 41.53 C ATOM 796 CD GLU A 532 -7.543 -10.021 1.673 1.00 20.22 C ATOM 797 OE1 GLU A 532 -7.673 -11.194 1.263 1.00 13.40 O ATOM 798 OE2 GLU A 532 -8.375 -9.119 1.443 1.00 4.44 O ATOM 0 H GLU A 532 -5.952 -9.869 6.642 1.00 73.23 H new ATOM 0 HA GLU A 532 -4.811 -11.187 4.246 1.00 61.21 H new ATOM 0 HB2 GLU A 532 -7.263 -10.691 4.118 1.00 42.03 H new ATOM 0 HB3 GLU A 532 -6.921 -9.000 4.427 1.00 42.03 H new ATOM 0 HG2 GLU A 532 -6.048 -8.634 2.322 1.00 41.53 H new ATOM 0 HG3 GLU A 532 -5.472 -10.280 2.146 1.00 41.53 H new ATOM 805 N LEU A 533 -3.100 -9.435 3.969 1.00 21.33 N ATOM 806 CA LEU A 533 -2.045 -8.439 3.816 1.00 73.11 C ATOM 807 C LEU A 533 -2.009 -7.900 2.390 1.00 51.35 C ATOM 808 O LEU A 533 -2.059 -8.650 1.415 1.00 44.14 O ATOM 809 CB LEU A 533 -0.688 -9.044 4.179 1.00 31.20 C ATOM 810 CG LEU A 533 -0.147 -8.695 5.566 1.00 41.22 C ATOM 811 CD1 LEU A 533 -1.192 -8.977 6.634 1.00 73.35 C ATOM 812 CD2 LEU A 533 1.131 -9.470 5.850 1.00 5.22 C ATOM 0 H LEU A 533 -2.900 -10.332 3.526 1.00 21.33 H new ATOM 0 HA LEU A 533 -2.259 -7.612 4.493 1.00 73.11 H new ATOM 0 HB2 LEU A 533 -0.764 -10.129 4.103 1.00 31.20 H new ATOM 0 HB3 LEU A 533 0.041 -8.723 3.435 1.00 31.20 H new ATOM 0 HG LEU A 533 0.085 -7.630 5.587 1.00 41.22 H new ATOM 0 HD11 LEU A 533 -0.789 -8.722 7.614 1.00 73.35 H new ATOM 0 HD12 LEU A 533 -2.081 -8.377 6.441 1.00 73.35 H new ATOM 0 HD13 LEU A 533 -1.457 -10.034 6.614 1.00 73.35 H new ATOM 0 HD21 LEU A 533 1.502 -9.209 6.841 1.00 5.22 H new ATOM 0 HD22 LEU A 533 0.925 -10.540 5.810 1.00 5.22 H new ATOM 0 HD23 LEU A 533 1.883 -9.217 5.103 1.00 5.22 H new ATOM 824 N PRO A 534 -1.918 -6.568 2.262 1.00 14.45 N ATOM 825 CA PRO A 534 -1.870 -5.898 0.959 1.00 35.13 C ATOM 826 C PRO A 534 -0.560 -6.156 0.223 1.00 12.30 C ATOM 827 O PRO A 534 -0.394 -5.756 -0.930 1.00 15.04 O ATOM 828 CB PRO A 534 -2.000 -4.415 1.317 1.00 32.51 C ATOM 829 CG PRO A 534 -1.488 -4.316 2.713 1.00 72.44 C ATOM 830 CD PRO A 534 -1.855 -5.612 3.381 1.00 32.33 C ATOM 0 HA PRO A 534 -2.649 -6.258 0.287 1.00 35.13 H new ATOM 0 HB2 PRO A 534 -1.419 -3.791 0.637 1.00 32.51 H new ATOM 0 HB3 PRO A 534 -3.035 -4.081 1.250 1.00 32.51 H new ATOM 0 HG2 PRO A 534 -0.409 -4.164 2.723 1.00 72.44 H new ATOM 0 HG3 PRO A 534 -1.934 -3.469 3.233 1.00 72.44 H new ATOM 0 HD2 PRO A 534 -1.111 -5.908 4.120 1.00 32.33 H new ATOM 0 HD3 PRO A 534 -2.810 -5.539 3.901 1.00 32.33 H new ATOM 838 N LYS A 535 0.369 -6.826 0.896 1.00 70.44 N ATOM 839 CA LYS A 535 1.665 -7.140 0.305 1.00 11.43 C ATOM 840 C LYS A 535 1.502 -7.662 -1.119 1.00 3.43 C ATOM 841 O LYS A 535 0.516 -8.323 -1.439 1.00 34.02 O ATOM 842 CB LYS A 535 2.400 -8.176 1.159 1.00 41.42 C ATOM 843 CG LYS A 535 2.650 -7.721 2.586 1.00 15.14 C ATOM 844 CD LYS A 535 3.625 -6.557 2.639 1.00 63.34 C ATOM 845 CE LYS A 535 5.048 -7.009 2.344 1.00 55.11 C ATOM 846 NZ LYS A 535 5.786 -7.364 3.587 1.00 35.35 N ATOM 0 H LYS A 535 0.249 -7.162 1.851 1.00 70.44 H new ATOM 0 HA LYS A 535 2.253 -6.223 0.271 1.00 11.43 H new ATOM 0 HB2 LYS A 535 1.819 -9.098 1.177 1.00 41.42 H new ATOM 0 HB3 LYS A 535 3.355 -8.411 0.689 1.00 41.42 H new ATOM 0 HG2 LYS A 535 1.706 -7.427 3.045 1.00 15.14 H new ATOM 0 HG3 LYS A 535 3.043 -8.553 3.170 1.00 15.14 H new ATOM 0 HD2 LYS A 535 3.326 -5.797 1.917 1.00 63.34 H new ATOM 0 HD3 LYS A 535 3.586 -6.093 3.624 1.00 63.34 H new ATOM 0 HE2 LYS A 535 5.024 -7.871 1.677 1.00 55.11 H new ATOM 0 HE3 LYS A 535 5.580 -6.215 1.820 1.00 55.11 H new ATOM 0 HZ1 LYS A 535 6.751 -7.667 3.344 1.00 35.35 H new ATOM 0 HZ2 LYS A 535 5.831 -6.535 4.213 1.00 35.35 H new ATOM 0 HZ3 LYS A 535 5.293 -8.139 4.074 1.00 35.35 H new ATOM 860 N GLY A 536 2.479 -7.361 -1.970 1.00 14.32 N ATOM 861 CA GLY A 536 2.425 -7.809 -3.349 1.00 54.20 C ATOM 862 C GLY A 536 3.704 -8.493 -3.787 1.00 22.43 C ATOM 863 O GLY A 536 4.214 -8.233 -4.876 1.00 52.01 O ATOM 0 H GLY A 536 3.306 -6.815 -1.729 1.00 14.32 H new ATOM 0 HA2 GLY A 536 1.588 -8.497 -3.472 1.00 54.20 H new ATOM 0 HA3 GLY A 536 2.233 -6.955 -3.998 1.00 54.20 H new ATOM 867 N MET A 537 4.226 -9.370 -2.935 1.00 34.12 N ATOM 868 CA MET A 537 5.454 -10.094 -3.240 1.00 5.30 C ATOM 869 C MET A 537 5.781 -11.098 -2.140 1.00 24.24 C ATOM 870 O MET A 537 6.756 -10.952 -1.402 1.00 2.31 O ATOM 871 CB MET A 537 6.617 -9.115 -3.415 1.00 65.35 C ATOM 872 CG MET A 537 7.694 -9.615 -4.364 1.00 65.55 C ATOM 873 SD MET A 537 9.039 -10.457 -3.507 1.00 61.24 S ATOM 874 CE MET A 537 10.452 -9.534 -4.106 1.00 25.12 C ATOM 0 H MET A 537 3.817 -9.596 -2.028 1.00 34.12 H new ATOM 0 HA MET A 537 5.303 -10.639 -4.172 1.00 5.30 H new ATOM 0 HB2 MET A 537 6.230 -8.166 -3.786 1.00 65.35 H new ATOM 0 HB3 MET A 537 7.065 -8.918 -2.441 1.00 65.35 H new ATOM 0 HG2 MET A 537 7.247 -10.296 -5.088 1.00 65.55 H new ATOM 0 HG3 MET A 537 8.097 -8.773 -4.926 1.00 65.55 H new ATOM 0 HE1 MET A 537 11.363 -9.937 -3.664 1.00 25.12 H new ATOM 0 HE2 MET A 537 10.507 -9.617 -5.191 1.00 25.12 H new ATOM 0 HE3 MET A 537 10.346 -8.486 -3.827 1.00 25.12 H new ATOM 884 N PRO A 538 4.949 -12.143 -2.025 1.00 33.43 N ATOM 885 CA PRO A 538 5.130 -13.193 -1.017 1.00 14.51 C ATOM 886 C PRO A 538 6.345 -14.067 -1.303 1.00 24.44 C ATOM 887 O PRO A 538 7.146 -13.765 -2.186 1.00 4.41 O ATOM 888 CB PRO A 538 3.842 -14.014 -1.125 1.00 44.11 C ATOM 889 CG PRO A 538 3.364 -13.787 -2.518 1.00 23.23 C ATOM 890 CD PRO A 538 3.767 -12.382 -2.870 1.00 52.20 C ATOM 0 HA PRO A 538 5.306 -12.779 -0.024 1.00 14.51 H new ATOM 0 HB2 PRO A 538 4.030 -15.071 -0.938 1.00 44.11 H new ATOM 0 HB3 PRO A 538 3.102 -13.688 -0.394 1.00 44.11 H new ATOM 0 HG2 PRO A 538 3.811 -14.505 -3.206 1.00 23.23 H new ATOM 0 HG3 PRO A 538 2.283 -13.911 -2.585 1.00 23.23 H new ATOM 0 HD2 PRO A 538 4.005 -12.286 -3.929 1.00 52.20 H new ATOM 0 HD3 PRO A 538 2.970 -11.670 -2.656 1.00 52.20 H new ATOM 898 N GLY A 539 6.477 -15.155 -0.549 1.00 13.11 N ATOM 899 CA GLY A 539 7.598 -16.057 -0.737 1.00 73.13 C ATOM 900 C GLY A 539 8.837 -15.607 0.011 1.00 54.51 C ATOM 901 O GLY A 539 9.883 -16.250 -0.064 1.00 74.32 O ATOM 0 H GLY A 539 5.827 -15.427 0.189 1.00 13.11 H new ATOM 0 HA2 GLY A 539 7.317 -17.055 -0.401 1.00 73.13 H new ATOM 0 HA3 GLY A 539 7.826 -16.131 -1.800 1.00 73.13 H new ATOM 905 N GLU A 540 8.719 -14.497 0.733 1.00 1.32 N ATOM 906 CA GLU A 540 9.840 -13.960 1.496 1.00 62.13 C ATOM 907 C GLU A 540 10.004 -14.703 2.818 1.00 21.43 C ATOM 908 O GLU A 540 11.065 -15.259 3.104 1.00 71.13 O ATOM 909 CB GLU A 540 9.638 -12.466 1.759 1.00 21.42 C ATOM 910 CG GLU A 540 9.107 -11.703 0.558 1.00 51.23 C ATOM 911 CD GLU A 540 10.032 -11.784 -0.641 1.00 3.22 C ATOM 912 OE1 GLU A 540 10.752 -10.798 -0.903 1.00 52.33 O ATOM 913 OE2 GLU A 540 10.037 -12.834 -1.316 1.00 72.51 O ATOM 0 H GLU A 540 7.859 -13.953 0.806 1.00 1.32 H new ATOM 0 HA GLU A 540 10.747 -14.098 0.907 1.00 62.13 H new ATOM 0 HB2 GLU A 540 8.946 -12.343 2.592 1.00 21.42 H new ATOM 0 HB3 GLU A 540 10.588 -12.028 2.066 1.00 21.42 H new ATOM 0 HG2 GLU A 540 8.129 -12.099 0.285 1.00 51.23 H new ATOM 0 HG3 GLU A 540 8.963 -10.658 0.831 1.00 51.23 H new ATOM 920 N VAL A 541 8.946 -14.708 3.623 1.00 71.22 N ATOM 921 CA VAL A 541 8.971 -15.383 4.915 1.00 0.11 C ATOM 922 C VAL A 541 8.797 -16.889 4.752 1.00 1.33 C ATOM 923 O VAL A 541 9.351 -17.676 5.521 1.00 1.42 O ATOM 924 CB VAL A 541 7.869 -14.848 5.849 1.00 3.01 C ATOM 925 CG1 VAL A 541 7.967 -15.502 7.219 1.00 15.20 C ATOM 926 CG2 VAL A 541 7.958 -13.334 5.964 1.00 1.33 C ATOM 0 H VAL A 541 8.061 -14.252 3.403 1.00 71.22 H new ATOM 0 HA VAL A 541 9.945 -15.179 5.360 1.00 0.11 H new ATOM 0 HB VAL A 541 6.899 -15.101 5.421 1.00 3.01 H new ATOM 0 HG11 VAL A 541 7.181 -15.112 7.865 1.00 15.20 H new ATOM 0 HG12 VAL A 541 7.850 -16.581 7.116 1.00 15.20 H new ATOM 0 HG13 VAL A 541 8.940 -15.282 7.658 1.00 15.20 H new ATOM 0 HG21 VAL A 541 7.172 -12.973 6.627 1.00 1.33 H new ATOM 0 HG22 VAL A 541 8.931 -13.056 6.369 1.00 1.33 H new ATOM 0 HG23 VAL A 541 7.834 -12.886 4.978 1.00 1.33 H new ATOM 936 N LEU A 542 8.025 -17.284 3.746 1.00 33.04 N ATOM 937 CA LEU A 542 7.777 -18.697 3.481 1.00 24.12 C ATOM 938 C LEU A 542 9.055 -19.398 3.031 1.00 21.44 C ATOM 939 O LEU A 542 9.179 -20.617 3.148 1.00 73.20 O ATOM 940 CB LEU A 542 6.693 -18.854 2.414 1.00 41.34 C ATOM 941 CG LEU A 542 5.252 -18.670 2.889 1.00 35.21 C ATOM 942 CD1 LEU A 542 4.875 -17.197 2.894 1.00 15.11 C ATOM 943 CD2 LEU A 542 4.295 -19.464 2.011 1.00 22.43 C ATOM 0 H LEU A 542 7.560 -16.646 3.100 1.00 33.04 H new ATOM 0 HA LEU A 542 7.436 -19.161 4.407 1.00 24.12 H new ATOM 0 HB2 LEU A 542 6.887 -18.134 1.619 1.00 41.34 H new ATOM 0 HB3 LEU A 542 6.785 -19.847 1.974 1.00 41.34 H new ATOM 0 HG LEU A 542 5.176 -19.047 3.909 1.00 35.21 H new ATOM 0 HD11 LEU A 542 3.846 -17.086 3.235 1.00 15.11 H new ATOM 0 HD12 LEU A 542 5.540 -16.653 3.565 1.00 15.11 H new ATOM 0 HD13 LEU A 542 4.969 -16.794 1.886 1.00 15.11 H new ATOM 0 HD21 LEU A 542 3.274 -19.321 2.364 1.00 22.43 H new ATOM 0 HD22 LEU A 542 4.375 -19.118 0.980 1.00 22.43 H new ATOM 0 HD23 LEU A 542 4.551 -20.523 2.059 1.00 22.43 H new ATOM 955 N GLN A 543 10.003 -18.620 2.519 1.00 14.44 N ATOM 956 CA GLN A 543 11.271 -19.167 2.054 1.00 45.32 C ATOM 957 C GLN A 543 12.245 -19.347 3.214 1.00 71.11 C ATOM 958 O GLN A 543 12.706 -20.457 3.484 1.00 1.52 O ATOM 959 CB GLN A 543 11.887 -18.252 0.994 1.00 41.05 C ATOM 960 CG GLN A 543 11.505 -18.627 -0.429 1.00 41.23 C ATOM 961 CD GLN A 543 12.405 -19.698 -1.012 1.00 64.22 C ATOM 962 OE1 GLN A 543 13.623 -19.667 -0.833 1.00 22.44 O ATOM 963 NE2 GLN A 543 11.810 -20.654 -1.715 1.00 74.34 N ATOM 0 H GLN A 543 9.917 -17.609 2.416 1.00 14.44 H new ATOM 0 HA GLN A 543 11.076 -20.144 1.612 1.00 45.32 H new ATOM 0 HB2 GLN A 543 11.575 -17.225 1.187 1.00 41.05 H new ATOM 0 HB3 GLN A 543 12.973 -18.279 1.089 1.00 41.05 H new ATOM 0 HG2 GLN A 543 10.473 -18.978 -0.444 1.00 41.23 H new ATOM 0 HG3 GLN A 543 11.549 -17.739 -1.059 1.00 41.23 H new ATOM 0 HE21 GLN A 543 10.798 -20.641 -1.839 1.00 74.34 H new ATOM 0 HE22 GLN A 543 12.365 -21.401 -2.132 1.00 74.34 H new ATOM 972 N HIS A 544 12.554 -18.249 3.897 1.00 61.32 N ATOM 973 CA HIS A 544 13.473 -18.287 5.029 1.00 42.42 C ATOM 974 C HIS A 544 12.836 -18.989 6.223 1.00 35.35 C ATOM 975 O HIS A 544 13.390 -19.948 6.761 1.00 20.03 O ATOM 976 CB HIS A 544 13.892 -16.869 5.420 1.00 53.01 C ATOM 977 CG HIS A 544 15.001 -16.318 4.578 1.00 24.33 C ATOM 978 ND1 HIS A 544 14.817 -15.877 3.285 1.00 63.32 N ATOM 979 CD2 HIS A 544 16.314 -16.137 4.853 1.00 43.22 C ATOM 980 CE1 HIS A 544 15.969 -15.450 2.799 1.00 23.05 C ATOM 981 NE2 HIS A 544 16.894 -15.596 3.731 1.00 31.23 N ATOM 0 H HIS A 544 12.182 -17.323 3.686 1.00 61.32 H new ATOM 0 HA HIS A 544 14.357 -18.850 4.729 1.00 42.42 H new ATOM 0 HB2 HIS A 544 13.027 -16.210 5.344 1.00 53.01 H new ATOM 0 HB3 HIS A 544 14.204 -16.866 6.464 1.00 53.01 H new ATOM 0 HD2 HIS A 544 16.813 -16.374 5.781 1.00 43.22 H new ATOM 0 HE1 HIS A 544 16.128 -15.050 1.809 1.00 23.05 H new ATOM 0 HE2 HIS A 544 17.878 -15.348 3.633 1.00 31.23 H new ATOM 989 N PHE A 545 11.668 -18.506 6.634 1.00 12.21 N ATOM 990 CA PHE A 545 10.956 -19.086 7.766 1.00 35.44 C ATOM 991 C PHE A 545 10.036 -20.215 7.310 1.00 61.34 C ATOM 992 O PHE A 545 8.879 -20.295 7.722 1.00 35.23 O ATOM 993 CB PHE A 545 10.141 -18.011 8.490 1.00 65.54 C ATOM 994 CG PHE A 545 10.949 -17.203 9.465 1.00 35.30 C ATOM 995 CD1 PHE A 545 10.571 -17.120 10.796 1.00 70.44 C ATOM 996 CD2 PHE A 545 12.085 -16.527 9.052 1.00 71.04 C ATOM 997 CE1 PHE A 545 11.311 -16.377 11.695 1.00 44.30 C ATOM 998 CE2 PHE A 545 12.830 -15.782 9.947 1.00 73.14 C ATOM 999 CZ PHE A 545 12.443 -15.708 11.270 1.00 12.23 C ATOM 0 H PHE A 545 11.195 -17.714 6.199 1.00 12.21 H new ATOM 0 HA PHE A 545 11.695 -19.497 8.454 1.00 35.44 H new ATOM 0 HB2 PHE A 545 9.701 -17.341 7.752 1.00 65.54 H new ATOM 0 HB3 PHE A 545 9.316 -18.487 9.020 1.00 65.54 H new ATOM 0 HD1 PHE A 545 9.688 -17.642 11.134 1.00 70.44 H new ATOM 0 HD2 PHE A 545 12.393 -16.583 8.018 1.00 71.04 H new ATOM 0 HE1 PHE A 545 11.005 -16.319 12.729 1.00 44.30 H new ATOM 0 HE2 PHE A 545 13.713 -15.259 9.612 1.00 73.14 H new ATOM 0 HZ PHE A 545 13.024 -15.128 11.972 1.00 12.23 H new ATOM 1009 N THR A 546 10.560 -21.087 6.453 1.00 33.23 N ATOM 1010 CA THR A 546 9.787 -22.211 5.938 1.00 2.42 C ATOM 1011 C THR A 546 9.611 -23.290 7.000 1.00 11.34 C ATOM 1012 O THR A 546 8.611 -24.008 7.009 1.00 62.23 O ATOM 1013 CB THR A 546 10.457 -22.832 4.698 1.00 4.41 C ATOM 1014 OG1 THR A 546 9.559 -23.747 4.062 1.00 34.34 O ATOM 1015 CG2 THR A 546 11.740 -23.555 5.081 1.00 34.11 C ATOM 0 H THR A 546 11.516 -21.036 6.101 1.00 33.23 H new ATOM 0 HA THR A 546 8.810 -21.820 5.656 1.00 2.42 H new ATOM 0 HB THR A 546 10.705 -22.028 4.005 1.00 4.41 H new ATOM 0 HG1 THR A 546 9.992 -24.136 3.274 1.00 34.34 H new ATOM 0 HG21 THR A 546 12.195 -23.985 4.189 1.00 34.11 H new ATOM 0 HG22 THR A 546 12.433 -22.849 5.538 1.00 34.11 H new ATOM 0 HG23 THR A 546 11.512 -24.350 5.791 1.00 34.11 H new ATOM 1023 N ARG A 547 10.587 -23.398 7.895 1.00 4.34 N ATOM 1024 CA ARG A 547 10.540 -24.390 8.962 1.00 34.22 C ATOM 1025 C ARG A 547 10.368 -23.719 10.322 1.00 72.12 C ATOM 1026 O ARG A 547 9.908 -24.341 11.280 1.00 10.02 O ATOM 1027 CB ARG A 547 11.813 -25.237 8.957 1.00 24.40 C ATOM 1028 CG ARG A 547 13.087 -24.421 8.814 1.00 44.20 C ATOM 1029 CD ARG A 547 14.318 -25.243 9.162 1.00 22.15 C ATOM 1030 NE ARG A 547 14.800 -26.018 8.022 1.00 50.41 N ATOM 1031 CZ ARG A 547 15.983 -26.620 7.990 1.00 64.01 C ATOM 1032 NH1 ARG A 547 16.801 -26.538 9.030 1.00 21.14 N ATOM 1033 NH2 ARG A 547 16.351 -27.307 6.916 1.00 52.24 N ATOM 0 H ARG A 547 11.421 -22.810 7.902 1.00 4.34 H new ATOM 0 HA ARG A 547 9.681 -25.037 8.784 1.00 34.22 H new ATOM 0 HB2 ARG A 547 11.861 -25.811 9.883 1.00 24.40 H new ATOM 0 HB3 ARG A 547 11.758 -25.955 8.139 1.00 24.40 H new ATOM 0 HG2 ARG A 547 13.171 -24.053 7.792 1.00 44.20 H new ATOM 0 HG3 ARG A 547 13.036 -23.548 9.464 1.00 44.20 H new ATOM 0 HD2 ARG A 547 15.110 -24.580 9.510 1.00 22.15 H new ATOM 0 HD3 ARG A 547 14.082 -25.918 9.985 1.00 22.15 H new ATOM 0 HE ARG A 547 14.195 -26.101 7.205 1.00 50.41 H new ATOM 0 HH11 ARG A 547 16.522 -26.011 9.858 1.00 21.14 H new ATOM 0 HH12 ARG A 547 17.709 -27.002 9.002 1.00 21.14 H new ATOM 0 HH21 ARG A 547 15.725 -27.373 6.114 1.00 52.24 H new ATOM 0 HH22 ARG A 547 17.260 -27.769 6.893 1.00 52.24 H new ATOM 1047 N THR A 548 10.741 -22.445 10.399 1.00 71.42 N ATOM 1048 CA THR A 548 10.630 -21.690 11.640 1.00 20.23 C ATOM 1049 C THR A 548 9.382 -20.815 11.642 1.00 41.43 C ATOM 1050 O THR A 548 9.264 -19.885 10.844 1.00 50.24 O ATOM 1051 CB THR A 548 11.867 -20.802 11.870 1.00 41.53 C ATOM 1052 OG1 THR A 548 13.047 -21.610 11.929 1.00 62.43 O ATOM 1053 CG2 THR A 548 11.729 -20.003 13.157 1.00 35.11 C ATOM 0 H THR A 548 11.123 -21.915 9.616 1.00 71.42 H new ATOM 0 HA THR A 548 10.560 -22.419 12.448 1.00 20.23 H new ATOM 0 HB THR A 548 11.946 -20.105 11.035 1.00 41.53 H new ATOM 0 HG1 THR A 548 13.829 -21.037 12.074 1.00 62.43 H new ATOM 0 HG21 THR A 548 12.615 -19.384 13.298 1.00 35.11 H new ATOM 0 HG22 THR A 548 10.847 -19.366 13.097 1.00 35.11 H new ATOM 0 HG23 THR A 548 11.626 -20.686 14.000 1.00 35.11 H new ATOM 1061 N ARG A 549 8.454 -21.117 12.543 1.00 34.31 N ATOM 1062 CA ARG A 549 7.214 -20.357 12.648 1.00 72.45 C ATOM 1063 C ARG A 549 6.695 -20.358 14.082 1.00 32.34 C ATOM 1064 O ARG A 549 7.278 -20.991 14.963 1.00 1.23 O ATOM 1065 CB ARG A 549 6.154 -20.939 11.710 1.00 12.21 C ATOM 1066 CG ARG A 549 6.442 -20.694 10.238 1.00 2.40 C ATOM 1067 CD ARG A 549 7.248 -21.832 9.631 1.00 15.20 C ATOM 1068 NE ARG A 549 6.754 -22.207 8.309 1.00 74.50 N ATOM 1069 CZ ARG A 549 5.752 -23.058 8.113 1.00 50.31 C ATOM 1070 NH1 ARG A 549 5.141 -23.617 9.148 1.00 74.01 N ATOM 1071 NH2 ARG A 549 5.360 -23.349 6.879 1.00 34.54 N ATOM 0 H ARG A 549 8.537 -21.883 13.211 1.00 34.31 H new ATOM 0 HA ARG A 549 7.422 -19.328 12.357 1.00 72.45 H new ATOM 0 HB2 ARG A 549 6.078 -22.013 11.883 1.00 12.21 H new ATOM 0 HB3 ARG A 549 5.185 -20.507 11.959 1.00 12.21 H new ATOM 0 HG2 ARG A 549 5.503 -20.582 9.696 1.00 2.40 H new ATOM 0 HG3 ARG A 549 6.989 -19.758 10.124 1.00 2.40 H new ATOM 0 HD2 ARG A 549 8.294 -21.536 9.557 1.00 15.20 H new ATOM 0 HD3 ARG A 549 7.208 -22.698 10.292 1.00 15.20 H new ATOM 0 HE ARG A 549 7.202 -21.793 7.491 1.00 74.50 H new ATOM 0 HH11 ARG A 549 5.440 -23.394 10.098 1.00 74.01 H new ATOM 0 HH12 ARG A 549 4.372 -24.270 8.995 1.00 74.01 H new ATOM 0 HH21 ARG A 549 5.828 -22.920 6.081 1.00 34.54 H new ATOM 0 HH22 ARG A 549 4.591 -24.002 6.729 1.00 34.54 H new ATOM 1085 N ILE A 550 5.596 -19.646 14.309 1.00 4.12 N ATOM 1086 CA ILE A 550 4.999 -19.565 15.636 1.00 22.34 C ATOM 1087 C ILE A 550 3.598 -18.967 15.573 1.00 31.13 C ATOM 1088 O ILE A 550 3.097 -18.644 14.496 1.00 51.44 O ATOM 1089 CB ILE A 550 5.863 -18.721 16.592 1.00 30.21 C ATOM 1090 CG1 ILE A 550 5.644 -19.166 18.040 1.00 52.23 C ATOM 1091 CG2 ILE A 550 5.540 -17.243 16.432 1.00 64.13 C ATOM 1092 CD1 ILE A 550 6.929 -19.371 18.810 1.00 4.41 C ATOM 0 H ILE A 550 5.101 -19.117 13.591 1.00 4.12 H new ATOM 0 HA ILE A 550 4.940 -20.584 16.018 1.00 22.34 H new ATOM 0 HB ILE A 550 6.912 -18.873 16.340 1.00 30.21 H new ATOM 0 HG12 ILE A 550 5.038 -18.420 18.553 1.00 52.23 H new ATOM 0 HG13 ILE A 550 5.075 -20.096 18.044 1.00 52.23 H new ATOM 0 HG21 ILE A 550 6.158 -16.660 17.114 1.00 64.13 H new ATOM 0 HG22 ILE A 550 5.742 -16.935 15.406 1.00 64.13 H new ATOM 0 HG23 ILE A 550 4.488 -17.074 16.661 1.00 64.13 H new ATOM 0 HD11 ILE A 550 6.697 -19.685 19.828 1.00 4.41 H new ATOM 0 HD12 ILE A 550 7.528 -20.139 18.320 1.00 4.41 H new ATOM 0 HD13 ILE A 550 7.490 -18.437 18.838 1.00 4.41 H new ATOM 1104 N LEU A 551 2.970 -18.821 16.735 1.00 63.00 N ATOM 1105 CA LEU A 551 1.626 -18.259 16.813 1.00 23.21 C ATOM 1106 C LEU A 551 1.440 -17.148 15.785 1.00 71.22 C ATOM 1107 O LEU A 551 0.402 -17.064 15.129 1.00 5.20 O ATOM 1108 CB LEU A 551 1.359 -17.719 18.219 1.00 41.31 C ATOM 1109 CG LEU A 551 2.213 -16.527 18.653 1.00 12.22 C ATOM 1110 CD1 LEU A 551 1.511 -15.219 18.322 1.00 43.22 C ATOM 1111 CD2 LEU A 551 2.522 -16.606 20.141 1.00 31.21 C ATOM 0 H LEU A 551 3.370 -19.084 17.636 1.00 63.00 H new ATOM 0 HA LEU A 551 0.913 -19.054 16.594 1.00 23.21 H new ATOM 0 HB2 LEU A 551 0.310 -17.431 18.283 1.00 41.31 H new ATOM 0 HB3 LEU A 551 1.511 -18.529 18.933 1.00 41.31 H new ATOM 0 HG LEU A 551 3.154 -16.560 18.104 1.00 12.22 H new ATOM 0 HD11 LEU A 551 2.133 -14.382 18.638 1.00 43.22 H new ATOM 0 HD12 LEU A 551 1.341 -15.159 17.247 1.00 43.22 H new ATOM 0 HD13 LEU A 551 0.555 -15.177 18.843 1.00 43.22 H new ATOM 0 HD21 LEU A 551 3.130 -15.750 20.432 1.00 31.21 H new ATOM 0 HD22 LEU A 551 1.590 -16.598 20.707 1.00 31.21 H new ATOM 0 HD23 LEU A 551 3.067 -17.526 20.351 1.00 31.21 H new ATOM 1123 N ASN A 552 2.453 -16.299 15.648 1.00 22.14 N ATOM 1124 CA ASN A 552 2.402 -15.194 14.698 1.00 14.23 C ATOM 1125 C ASN A 552 2.640 -15.689 13.275 1.00 52.52 C ATOM 1126 O ASN A 552 1.774 -15.563 12.409 1.00 50.24 O ATOM 1127 CB ASN A 552 3.442 -14.132 15.062 1.00 73.30 C ATOM 1128 CG ASN A 552 3.593 -13.078 13.983 1.00 45.23 C ATOM 1129 OD1 ASN A 552 2.470 -12.585 13.475 1.00 10.43 O flip ATOM 1130 ND2 ASN A 552 4.708 -12.711 13.610 1.00 74.20 N flip ATOM 0 H ASN A 552 3.320 -16.355 16.183 1.00 22.14 H new ATOM 0 HA ASN A 552 1.408 -14.750 14.748 1.00 14.23 H new ATOM 0 HB2 ASN A 552 3.155 -13.652 15.998 1.00 73.30 H new ATOM 0 HB3 ASN A 552 4.405 -14.614 15.233 1.00 73.30 H new ATOM 0 HD21 ASN A 552 5.545 -13.117 14.028 1.00 74.20 H new ATOM 0 HD22 ASN A 552 4.794 -12.001 12.883 1.00 74.20 H new ATOM 1137 N LYS A 553 3.820 -16.252 13.040 1.00 32.41 N ATOM 1138 CA LYS A 553 4.173 -16.769 11.723 1.00 2.40 C ATOM 1139 C LYS A 553 3.234 -17.898 11.311 1.00 23.25 C ATOM 1140 O LYS A 553 2.528 -18.482 12.134 1.00 3.32 O ATOM 1141 CB LYS A 553 5.620 -17.267 11.719 1.00 21.03 C ATOM 1142 CG LYS A 553 6.557 -16.422 12.566 1.00 74.32 C ATOM 1143 CD LYS A 553 6.465 -14.951 12.199 1.00 13.54 C ATOM 1144 CE LYS A 553 6.817 -14.717 10.738 1.00 5.24 C ATOM 1145 NZ LYS A 553 8.210 -15.144 10.429 1.00 60.11 N ATOM 0 H LYS A 553 4.549 -16.362 13.745 1.00 32.41 H new ATOM 0 HA LYS A 553 4.073 -15.957 11.003 1.00 2.40 H new ATOM 0 HB2 LYS A 553 5.643 -18.294 12.082 1.00 21.03 H new ATOM 0 HB3 LYS A 553 5.987 -17.283 10.693 1.00 21.03 H new ATOM 0 HG2 LYS A 553 6.312 -16.551 13.620 1.00 74.32 H new ATOM 0 HG3 LYS A 553 7.582 -16.768 12.432 1.00 74.32 H new ATOM 0 HD2 LYS A 553 5.455 -14.589 12.393 1.00 13.54 H new ATOM 0 HD3 LYS A 553 7.138 -14.374 12.833 1.00 13.54 H new ATOM 0 HE2 LYS A 553 6.120 -15.265 10.104 1.00 5.24 H new ATOM 0 HE3 LYS A 553 6.700 -13.660 10.501 1.00 5.24 H new ATOM 0 HZ1 LYS A 553 8.704 -14.379 9.927 1.00 60.11 H new ATOM 0 HZ2 LYS A 553 8.712 -15.359 11.314 1.00 60.11 H new ATOM 0 HZ3 LYS A 553 8.188 -15.993 9.829 1.00 60.11 H new ATOM 1159 N PRO A 554 3.225 -18.216 10.008 1.00 23.25 N ATOM 1160 CA PRO A 554 2.379 -19.280 9.459 1.00 0.40 C ATOM 1161 C PRO A 554 2.836 -20.668 9.895 1.00 11.41 C ATOM 1162 O PRO A 554 3.444 -21.403 9.118 1.00 30.45 O ATOM 1163 CB PRO A 554 2.540 -19.115 7.946 1.00 52.32 C ATOM 1164 CG PRO A 554 3.865 -18.457 7.775 1.00 5.31 C ATOM 1165 CD PRO A 554 4.041 -17.563 8.971 1.00 11.53 C ATOM 0 HA PRO A 554 1.348 -19.200 9.804 1.00 0.40 H new ATOM 0 HB2 PRO A 554 2.508 -20.078 7.437 1.00 52.32 H new ATOM 0 HB3 PRO A 554 1.739 -18.506 7.527 1.00 52.32 H new ATOM 0 HG2 PRO A 554 4.664 -19.197 7.720 1.00 5.31 H new ATOM 0 HG3 PRO A 554 3.899 -17.882 6.850 1.00 5.31 H new ATOM 0 HD2 PRO A 554 5.087 -17.491 9.269 1.00 11.53 H new ATOM 0 HD3 PRO A 554 3.697 -16.549 8.769 1.00 11.53 H new ATOM 1173 N MET A 555 2.538 -21.019 11.142 1.00 44.21 N ATOM 1174 CA MET A 555 2.918 -22.320 11.680 1.00 73.11 C ATOM 1175 C MET A 555 2.218 -23.446 10.925 1.00 52.42 C ATOM 1176 O MET A 555 2.850 -24.420 10.520 1.00 72.15 O ATOM 1177 CB MET A 555 2.576 -22.400 13.169 1.00 53.50 C ATOM 1178 CG MET A 555 2.718 -23.796 13.752 1.00 71.35 C ATOM 1179 SD MET A 555 4.413 -24.407 13.686 1.00 3.32 S ATOM 1180 CE MET A 555 4.918 -24.189 15.391 1.00 15.30 C ATOM 0 H MET A 555 2.035 -20.421 11.798 1.00 44.21 H new ATOM 0 HA MET A 555 3.995 -22.436 11.555 1.00 73.11 H new ATOM 0 HB2 MET A 555 3.224 -21.718 13.719 1.00 53.50 H new ATOM 0 HB3 MET A 555 1.552 -22.056 13.317 1.00 53.50 H new ATOM 0 HG2 MET A 555 2.378 -23.789 14.788 1.00 71.35 H new ATOM 0 HG3 MET A 555 2.068 -24.481 13.208 1.00 71.35 H new ATOM 0 HE1 MET A 555 5.949 -24.523 15.511 1.00 15.30 H new ATOM 0 HE2 MET A 555 4.845 -23.135 15.660 1.00 15.30 H new ATOM 0 HE3 MET A 555 4.268 -24.776 16.041 1.00 15.30 H new ATOM 1190 N ASN A 556 0.909 -23.304 10.740 1.00 43.11 N ATOM 1191 CA ASN A 556 0.124 -24.310 10.034 1.00 52.20 C ATOM 1192 C ASN A 556 -1.107 -23.683 9.387 1.00 54.12 C ATOM 1193 O ASN A 556 -2.240 -24.008 9.741 1.00 53.32 O ATOM 1194 CB ASN A 556 -0.302 -25.422 10.995 1.00 3.52 C ATOM 1195 CG ASN A 556 -0.714 -26.687 10.269 1.00 61.41 C ATOM 1196 OD1 ASN A 556 -1.025 -26.660 9.078 1.00 1.31 O ATOM 1197 ND2 ASN A 556 -0.718 -27.806 10.985 1.00 11.42 N ATOM 0 H ASN A 556 0.370 -22.503 11.069 1.00 43.11 H new ATOM 0 HA ASN A 556 0.748 -24.737 9.249 1.00 52.20 H new ATOM 0 HB2 ASN A 556 0.521 -25.647 11.673 1.00 3.52 H new ATOM 0 HB3 ASN A 556 -1.133 -25.071 11.607 1.00 3.52 H new ATOM 0 HD21 ASN A 556 -0.986 -28.689 10.550 1.00 11.42 H new ATOM 0 HD22 ASN A 556 -0.453 -27.782 11.970 1.00 11.42 H new ATOM 1204 N MET A 557 -0.876 -22.783 8.436 1.00 31.32 N ATOM 1205 CA MET A 557 -1.967 -22.112 7.738 1.00 25.22 C ATOM 1206 C MET A 557 -2.075 -22.605 6.299 1.00 74.13 C ATOM 1207 O MET A 557 -1.215 -23.343 5.820 1.00 43.22 O ATOM 1208 CB MET A 557 -1.756 -20.597 7.756 1.00 11.02 C ATOM 1209 CG MET A 557 -0.478 -20.153 7.063 1.00 11.34 C ATOM 1210 SD MET A 557 -0.733 -19.757 5.323 1.00 52.41 S ATOM 1211 CE MET A 557 0.360 -20.941 4.542 1.00 23.03 C ATOM 0 H MET A 557 0.056 -22.502 8.131 1.00 31.32 H new ATOM 0 HA MET A 557 -2.897 -22.348 8.255 1.00 25.22 H new ATOM 0 HB2 MET A 557 -2.607 -20.114 7.275 1.00 11.02 H new ATOM 0 HB3 MET A 557 -1.737 -20.253 8.790 1.00 11.02 H new ATOM 0 HG2 MET A 557 -0.076 -19.279 7.575 1.00 11.34 H new ATOM 0 HG3 MET A 557 0.269 -20.942 7.146 1.00 11.34 H new ATOM 0 HE1 MET A 557 0.896 -20.458 3.725 1.00 23.03 H new ATOM 0 HE2 MET A 557 1.075 -21.314 5.275 1.00 23.03 H new ATOM 0 HE3 MET A 557 -0.225 -21.773 4.150 1.00 23.03 H new ATOM 1221 N GLN A 558 -3.138 -22.193 5.615 1.00 13.35 N ATOM 1222 CA GLN A 558 -3.359 -22.594 4.231 1.00 23.11 C ATOM 1223 C GLN A 558 -4.016 -21.470 3.437 1.00 72.43 C ATOM 1224 O GLN A 558 -4.766 -20.663 3.987 1.00 2.23 O ATOM 1225 CB GLN A 558 -4.228 -23.851 4.175 1.00 75.12 C ATOM 1226 CG GLN A 558 -3.783 -24.943 5.134 1.00 1.34 C ATOM 1227 CD GLN A 558 -2.470 -25.581 4.724 1.00 53.51 C ATOM 1228 OE1 GLN A 558 -2.137 -25.635 3.540 1.00 60.42 O ATOM 1229 NE2 GLN A 558 -1.717 -26.067 5.703 1.00 64.01 N ATOM 0 H GLN A 558 -3.860 -21.582 5.997 1.00 13.35 H new ATOM 0 HA GLN A 558 -2.390 -22.811 3.783 1.00 23.11 H new ATOM 0 HB2 GLN A 558 -5.259 -23.580 4.400 1.00 75.12 H new ATOM 0 HB3 GLN A 558 -4.217 -24.245 3.159 1.00 75.12 H new ATOM 0 HG2 GLN A 558 -3.682 -24.523 6.135 1.00 1.34 H new ATOM 0 HG3 GLN A 558 -4.555 -25.711 5.187 1.00 1.34 H new ATOM 0 HE21 GLN A 558 -2.033 -26.000 6.671 1.00 64.01 H new ATOM 0 HE22 GLN A 558 -0.822 -26.507 5.488 1.00 64.01 H new ATOM 1238 N LEU A 559 -3.731 -21.424 2.140 1.00 21.01 N ATOM 1239 CA LEU A 559 -4.294 -20.399 1.269 1.00 54.41 C ATOM 1240 C LEU A 559 -5.715 -20.762 0.848 1.00 63.22 C ATOM 1241 O LEU A 559 -5.939 -21.784 0.198 1.00 24.51 O ATOM 1242 CB LEU A 559 -3.415 -20.213 0.031 1.00 21.41 C ATOM 1243 CG LEU A 559 -3.855 -19.125 -0.948 1.00 52.14 C ATOM 1244 CD1 LEU A 559 -4.946 -19.646 -1.871 1.00 21.50 C ATOM 1245 CD2 LEU A 559 -4.335 -17.892 -0.196 1.00 31.53 C ATOM 0 H LEU A 559 -3.113 -22.085 1.669 1.00 21.01 H new ATOM 0 HA LEU A 559 -4.328 -19.463 1.826 1.00 54.41 H new ATOM 0 HB2 LEU A 559 -2.401 -19.988 0.361 1.00 21.41 H new ATOM 0 HB3 LEU A 559 -3.373 -21.161 -0.506 1.00 21.41 H new ATOM 0 HG LEU A 559 -2.996 -18.843 -1.557 1.00 52.14 H new ATOM 0 HD11 LEU A 559 -5.246 -18.857 -2.561 1.00 21.50 H new ATOM 0 HD12 LEU A 559 -4.568 -20.498 -2.436 1.00 21.50 H new ATOM 0 HD13 LEU A 559 -5.806 -19.957 -1.278 1.00 21.50 H new ATOM 0 HD21 LEU A 559 -4.644 -17.128 -0.909 1.00 31.53 H new ATOM 0 HD22 LEU A 559 -5.180 -18.159 0.439 1.00 31.53 H new ATOM 0 HD23 LEU A 559 -3.525 -17.505 0.422 1.00 31.53 H new ATOM 1257 N LEU A 560 -6.671 -19.918 1.220 1.00 62.40 N ATOM 1258 CA LEU A 560 -8.070 -20.149 0.879 1.00 73.20 C ATOM 1259 C LEU A 560 -8.602 -19.037 -0.019 1.00 75.22 C ATOM 1260 O LEU A 560 -9.542 -19.241 -0.787 1.00 20.33 O ATOM 1261 CB LEU A 560 -8.917 -20.243 2.150 1.00 45.22 C ATOM 1262 CG LEU A 560 -9.348 -18.913 2.769 1.00 42.34 C ATOM 1263 CD1 LEU A 560 -10.756 -18.548 2.323 1.00 24.44 C ATOM 1264 CD2 LEU A 560 -9.267 -18.980 4.287 1.00 50.43 C ATOM 0 H LEU A 560 -6.503 -19.068 1.758 1.00 62.40 H new ATOM 0 HA LEU A 560 -8.135 -21.092 0.336 1.00 73.20 H new ATOM 0 HB2 LEU A 560 -9.812 -20.823 1.924 1.00 45.22 H new ATOM 0 HB3 LEU A 560 -8.354 -20.803 2.897 1.00 45.22 H new ATOM 0 HG LEU A 560 -8.667 -18.135 2.423 1.00 42.34 H new ATOM 0 HD11 LEU A 560 -11.046 -17.599 2.773 1.00 24.44 H new ATOM 0 HD12 LEU A 560 -10.782 -18.457 1.237 1.00 24.44 H new ATOM 0 HD13 LEU A 560 -11.451 -19.326 2.639 1.00 24.44 H new ATOM 0 HD21 LEU A 560 -9.577 -18.025 4.710 1.00 50.43 H new ATOM 0 HD22 LEU A 560 -9.924 -19.769 4.652 1.00 50.43 H new ATOM 0 HD23 LEU A 560 -8.241 -19.194 4.588 1.00 50.43 H new ATOM 1276 N GLY A 561 -7.993 -17.860 0.081 1.00 51.40 N ATOM 1277 CA GLY A 561 -8.418 -16.733 -0.729 1.00 61.24 C ATOM 1278 C GLY A 561 -7.772 -16.729 -2.101 1.00 30.23 C ATOM 1279 O GLY A 561 -7.361 -17.775 -2.604 1.00 3.04 O ATOM 0 H GLY A 561 -7.213 -17.666 0.709 1.00 51.40 H new ATOM 0 HA2 GLY A 561 -9.502 -16.758 -0.841 1.00 61.24 H new ATOM 0 HA3 GLY A 561 -8.173 -15.805 -0.212 1.00 61.24 H new ATOM 1283 N ASP A 562 -7.684 -15.551 -2.708 1.00 1.01 N ATOM 1284 CA ASP A 562 -7.084 -15.415 -4.030 1.00 70.21 C ATOM 1285 C ASP A 562 -6.889 -13.946 -4.390 1.00 52.41 C ATOM 1286 O ASP A 562 -7.664 -13.086 -3.971 1.00 44.11 O ATOM 1287 CB ASP A 562 -7.958 -16.099 -5.083 1.00 24.53 C ATOM 1288 CG ASP A 562 -7.297 -16.138 -6.447 1.00 34.01 C ATOM 1289 OD1 ASP A 562 -6.130 -16.574 -6.529 1.00 62.03 O ATOM 1290 OD2 ASP A 562 -7.949 -15.733 -7.432 1.00 65.02 O ATOM 0 H ASP A 562 -8.021 -14.676 -2.306 1.00 1.01 H new ATOM 0 HA ASP A 562 -6.107 -15.898 -4.010 1.00 70.21 H new ATOM 0 HB2 ASP A 562 -8.181 -17.116 -4.761 1.00 24.53 H new ATOM 0 HB3 ASP A 562 -8.910 -15.573 -5.159 1.00 24.53 H new ATOM 1295 N ALA A 563 -5.849 -13.665 -5.168 1.00 71.24 N ATOM 1296 CA ALA A 563 -5.553 -12.300 -5.585 1.00 71.24 C ATOM 1297 C ALA A 563 -6.561 -11.811 -6.620 1.00 31.40 C ATOM 1298 O ALA A 563 -6.666 -12.372 -7.710 1.00 65.34 O ATOM 1299 CB ALA A 563 -4.139 -12.213 -6.141 1.00 13.12 C ATOM 0 H ALA A 563 -5.197 -14.365 -5.522 1.00 71.24 H new ATOM 0 HA ALA A 563 -5.628 -11.655 -4.710 1.00 71.24 H new ATOM 0 HB1 ALA A 563 -3.931 -11.188 -6.449 1.00 13.12 H new ATOM 0 HB2 ALA A 563 -3.427 -12.513 -5.372 1.00 13.12 H new ATOM 0 HB3 ALA A 563 -4.045 -12.876 -7.001 1.00 13.12 H new ATOM 1305 N GLN A 564 -7.301 -10.764 -6.270 1.00 23.10 N ATOM 1306 CA GLN A 564 -8.301 -10.202 -7.169 1.00 15.41 C ATOM 1307 C GLN A 564 -7.681 -9.834 -8.513 1.00 1.13 C ATOM 1308 O GLN A 564 -6.817 -8.959 -8.591 1.00 74.21 O ATOM 1309 CB GLN A 564 -8.949 -8.968 -6.538 1.00 4.42 C ATOM 1310 CG GLN A 564 -10.441 -8.858 -6.807 1.00 44.15 C ATOM 1311 CD GLN A 564 -11.248 -9.893 -6.050 1.00 72.40 C ATOM 1312 OE1 GLN A 564 -11.576 -10.954 -6.583 1.00 40.35 O ATOM 1313 NE2 GLN A 564 -11.574 -9.591 -4.799 1.00 22.24 N ATOM 0 H GLN A 564 -7.227 -10.288 -5.371 1.00 23.10 H new ATOM 0 HA GLN A 564 -9.066 -10.959 -7.338 1.00 15.41 H new ATOM 0 HB2 GLN A 564 -8.784 -8.992 -5.461 1.00 4.42 H new ATOM 0 HB3 GLN A 564 -8.453 -8.074 -6.917 1.00 4.42 H new ATOM 0 HG2 GLN A 564 -10.784 -7.861 -6.529 1.00 44.15 H new ATOM 0 HG3 GLN A 564 -10.623 -8.971 -7.876 1.00 44.15 H new ATOM 0 HE21 GLN A 564 -11.282 -8.701 -4.397 1.00 22.24 H new ATOM 0 HE22 GLN A 564 -12.117 -10.249 -4.240 1.00 22.24 H new TER 1322 GLN A 564