USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 799 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 506 THR OG1 : rot 103:sc= 0.757 USER MOD Single : A 512 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 513 HIS : no HE2:sc= 0.952 K(o=0.95,f=-5.7!) USER MOD Single : A 515 SER OG : rot 180:sc= 0.287 USER MOD Single : A 517 SER OG : rot -29:sc= 1.23 USER MOD Single : A 521 MET CE :methyl -111:sc= -0.29 (180deg=-4.94!) USER MOD Single : A 524 LYS NZ :NH3+ -158:sc= 1.06 (180deg=-0.614) USER MOD Single : A 528 THR OG1 : rot -72:sc= 0.181 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -1.6 F(o=-2.6,f=-1.6) USER MOD Single : A 539 TYR OH : rot 180:sc= 0 USER MOD Single : A 540 LYS NZ :NH3+ -168:sc=-0.00403 (180deg=-0.133) USER MOD Single : A 541 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 545 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 ASN : amide:sc=-0.00282 X(o=-0.0028,f=-0.0028) USER MOD Single : A 569 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 SER OG : rot -103:sc= 1.22 USER MOD Single : A 574 LYS NZ :NH3+ -164:sc= -0.0284 (180deg=-0.226) USER MOD Single : A 585 LYS NZ :NH3+ -117:sc= -0.0363 (180deg=-1.08!) USER MOD Single : A 586 THR OG1 : rot 20:sc= 0.729 USER MOD Single : A 639 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.0027) USER MOD Single : A 640 THR OG1 : rot 50:sc= 0.113 USER MOD Single : A 641 LYS NZ :NH3+ -147:sc= -1.57! (180deg=-3.63!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 502 2.483 -2.349 -0.558 1.00 54.23 N ATOM 19 CA ALA A 502 2.229 -3.748 -0.768 1.00 61.42 C ATOM 20 C ALA A 502 0.741 -4.056 -0.853 1.00 51.52 C ATOM 21 O ALA A 502 0.307 -4.733 -1.772 1.00 41.33 O ATOM 22 CB ALA A 502 2.879 -4.572 0.322 1.00 51.13 C ATOM 0 HA ALA A 502 2.669 -4.016 -1.728 1.00 61.42 H new ATOM 0 HB1 ALA A 502 2.677 -5.629 0.148 1.00 51.13 H new ATOM 0 HB2 ALA A 502 3.956 -4.402 0.314 1.00 51.13 H new ATOM 0 HB3 ALA A 502 2.473 -4.279 1.290 1.00 51.13 H new ATOM 28 N GLY A 503 -0.044 -3.608 0.100 1.00 64.41 N ATOM 29 CA GLY A 503 -1.457 -3.920 0.047 1.00 61.53 C ATOM 30 C GLY A 503 -2.029 -4.348 1.381 1.00 12.22 C ATOM 31 O GLY A 503 -1.680 -3.799 2.428 1.00 13.13 O ATOM 0 H GLY A 503 0.256 -3.045 0.896 1.00 64.41 H new ATOM 0 HA2 GLY A 503 -2.001 -3.046 -0.309 1.00 61.53 H new ATOM 0 HA3 GLY A 503 -1.619 -4.715 -0.681 1.00 61.53 H new ATOM 35 N ILE A 504 -2.921 -5.318 1.340 1.00 5.30 N ATOM 36 CA ILE A 504 -3.614 -5.791 2.507 1.00 23.43 C ATOM 37 C ILE A 504 -3.482 -7.312 2.624 1.00 3.52 C ATOM 38 O ILE A 504 -3.869 -8.045 1.712 1.00 25.24 O ATOM 39 CB ILE A 504 -5.164 -5.435 2.480 1.00 35.44 C ATOM 40 CG1 ILE A 504 -5.465 -3.917 2.393 1.00 22.22 C ATOM 41 CG2 ILE A 504 -5.897 -6.040 3.654 1.00 45.34 C ATOM 42 CD1 ILE A 504 -5.233 -3.290 1.031 1.00 32.35 C ATOM 0 H ILE A 504 -3.183 -5.802 0.481 1.00 5.30 H new ATOM 0 HA ILE A 504 -3.154 -5.292 3.360 1.00 23.43 H new ATOM 0 HB ILE A 504 -5.533 -5.880 1.556 1.00 35.44 H new ATOM 0 HG12 ILE A 504 -6.504 -3.752 2.679 1.00 22.22 H new ATOM 0 HG13 ILE A 504 -4.846 -3.398 3.125 1.00 22.22 H new ATOM 0 HG21 ILE A 504 -6.953 -5.774 3.600 1.00 45.34 H new ATOM 0 HG22 ILE A 504 -5.794 -7.125 3.627 1.00 45.34 H new ATOM 0 HG23 ILE A 504 -5.474 -5.658 4.583 1.00 45.34 H new ATOM 0 HD11 ILE A 504 -5.472 -2.227 1.074 1.00 32.35 H new ATOM 0 HD12 ILE A 504 -4.189 -3.416 0.746 1.00 32.35 H new ATOM 0 HD13 ILE A 504 -5.872 -3.776 0.293 1.00 32.35 H new ATOM 54 N PHE A 505 -2.901 -7.773 3.696 1.00 71.34 N ATOM 55 CA PHE A 505 -2.937 -9.188 4.018 1.00 61.33 C ATOM 56 C PHE A 505 -4.023 -9.386 5.020 1.00 65.54 C ATOM 57 O PHE A 505 -4.133 -8.584 5.957 1.00 63.35 O ATOM 58 CB PHE A 505 -1.636 -9.685 4.644 1.00 73.35 C ATOM 59 CG PHE A 505 -0.484 -9.821 3.721 1.00 34.31 C ATOM 60 CD1 PHE A 505 0.378 -8.768 3.509 1.00 23.30 C ATOM 61 CD2 PHE A 505 -0.245 -11.024 3.084 1.00 21.21 C ATOM 62 CE1 PHE A 505 1.456 -8.901 2.678 1.00 43.34 C ATOM 63 CE2 PHE A 505 0.836 -11.165 2.252 1.00 13.20 C ATOM 64 CZ PHE A 505 1.688 -10.099 2.052 1.00 65.41 C ATOM 0 H PHE A 505 -2.394 -7.196 4.367 1.00 71.34 H new ATOM 0 HA PHE A 505 -3.096 -9.743 3.094 1.00 61.33 H new ATOM 0 HB2 PHE A 505 -1.356 -9.001 5.445 1.00 73.35 H new ATOM 0 HB3 PHE A 505 -1.824 -10.655 5.105 1.00 73.35 H new ATOM 0 HD1 PHE A 505 0.200 -7.825 4.005 1.00 23.30 H new ATOM 0 HD2 PHE A 505 -0.913 -11.858 3.242 1.00 21.21 H new ATOM 0 HE1 PHE A 505 2.122 -8.066 2.515 1.00 43.34 H new ATOM 0 HE2 PHE A 505 1.019 -12.106 1.756 1.00 13.20 H new ATOM 0 HZ PHE A 505 2.542 -10.208 1.400 1.00 65.41 H new ATOM 74 N THR A 506 -4.829 -10.392 4.838 1.00 52.01 N ATOM 75 CA THR A 506 -5.857 -10.697 5.790 1.00 24.31 C ATOM 76 C THR A 506 -6.454 -12.050 5.454 1.00 1.23 C ATOM 77 O THR A 506 -6.029 -12.699 4.502 1.00 72.32 O ATOM 78 CB THR A 506 -6.969 -9.581 5.862 1.00 65.54 C ATOM 79 OG1 THR A 506 -7.835 -9.805 7.002 1.00 51.42 O ATOM 80 CG2 THR A 506 -7.807 -9.542 4.581 1.00 43.22 C ATOM 0 H THR A 506 -4.793 -11.018 4.034 1.00 52.01 H new ATOM 0 HA THR A 506 -5.406 -10.730 6.782 1.00 24.31 H new ATOM 0 HB THR A 506 -6.464 -8.621 5.972 1.00 65.54 H new ATOM 0 HG1 THR A 506 -7.598 -9.182 7.720 1.00 51.42 H new ATOM 0 HG21 THR A 506 -8.564 -8.762 4.665 1.00 43.22 H new ATOM 0 HG22 THR A 506 -7.160 -9.330 3.729 1.00 43.22 H new ATOM 0 HG23 THR A 506 -8.294 -10.506 4.436 1.00 43.22 H new ATOM 88 N PHE A 507 -7.399 -12.469 6.223 1.00 0.20 N ATOM 89 CA PHE A 507 -8.049 -13.716 6.017 1.00 75.03 C ATOM 90 C PHE A 507 -9.154 -13.558 5.009 1.00 24.45 C ATOM 91 O PHE A 507 -9.710 -12.469 4.855 1.00 62.44 O ATOM 92 CB PHE A 507 -8.589 -14.245 7.327 1.00 3.34 C ATOM 93 CG PHE A 507 -7.542 -14.796 8.231 1.00 21.32 C ATOM 94 CD1 PHE A 507 -7.162 -16.111 8.115 1.00 12.24 C ATOM 95 CD2 PHE A 507 -6.964 -14.017 9.209 1.00 65.11 C ATOM 96 CE1 PHE A 507 -6.228 -16.652 8.956 1.00 44.21 C ATOM 97 CE2 PHE A 507 -6.019 -14.546 10.055 1.00 13.53 C ATOM 98 CZ PHE A 507 -5.653 -15.865 9.931 1.00 61.45 C ATOM 0 H PHE A 507 -7.747 -11.945 7.026 1.00 0.20 H new ATOM 0 HA PHE A 507 -7.328 -14.435 5.629 1.00 75.03 H new ATOM 0 HB2 PHE A 507 -9.115 -13.442 7.843 1.00 3.34 H new ATOM 0 HB3 PHE A 507 -9.322 -15.024 7.119 1.00 3.34 H new ATOM 0 HD1 PHE A 507 -7.607 -16.727 7.348 1.00 12.24 H new ATOM 0 HD2 PHE A 507 -7.256 -12.982 9.312 1.00 65.11 H new ATOM 0 HE1 PHE A 507 -5.943 -17.689 8.857 1.00 44.21 H new ATOM 0 HE2 PHE A 507 -5.565 -13.927 10.815 1.00 13.53 H new ATOM 0 HZ PHE A 507 -4.915 -16.285 10.598 1.00 61.45 H new ATOM 108 N GLU A 508 -9.450 -14.626 4.304 1.00 5.53 N ATOM 109 CA GLU A 508 -10.498 -14.626 3.308 1.00 13.32 C ATOM 110 C GLU A 508 -11.860 -14.452 3.980 1.00 34.25 C ATOM 111 O GLU A 508 -12.776 -13.856 3.424 1.00 14.22 O ATOM 112 CB GLU A 508 -10.442 -15.926 2.533 1.00 10.12 C ATOM 113 CG GLU A 508 -11.366 -15.975 1.353 1.00 4.04 C ATOM 114 CD GLU A 508 -11.337 -17.308 0.668 1.00 62.45 C ATOM 115 OE1 GLU A 508 -11.789 -18.305 1.269 1.00 34.01 O ATOM 116 OE2 GLU A 508 -10.875 -17.390 -0.493 1.00 45.42 O ATOM 0 H GLU A 508 -8.970 -15.521 4.405 1.00 5.53 H new ATOM 0 HA GLU A 508 -10.354 -13.794 2.619 1.00 13.32 H new ATOM 0 HB2 GLU A 508 -9.421 -16.087 2.188 1.00 10.12 H new ATOM 0 HB3 GLU A 508 -10.685 -16.748 3.206 1.00 10.12 H new ATOM 0 HG2 GLU A 508 -12.383 -15.758 1.680 1.00 4.04 H new ATOM 0 HG3 GLU A 508 -11.087 -15.197 0.642 1.00 4.04 H new ATOM 123 N GLU A 509 -11.963 -14.959 5.169 1.00 3.35 N ATOM 124 CA GLU A 509 -13.147 -14.840 5.957 1.00 21.02 C ATOM 125 C GLU A 509 -12.725 -14.462 7.359 1.00 25.23 C ATOM 126 O GLU A 509 -11.679 -14.899 7.815 1.00 11.31 O ATOM 127 CB GLU A 509 -13.949 -16.156 5.924 1.00 20.01 C ATOM 128 CG GLU A 509 -13.165 -17.378 6.378 1.00 12.25 C ATOM 129 CD GLU A 509 -13.776 -18.679 5.925 1.00 71.10 C ATOM 130 OE1 GLU A 509 -14.835 -19.094 6.446 1.00 51.34 O ATOM 131 OE2 GLU A 509 -13.210 -19.317 5.013 1.00 40.44 O ATOM 0 H GLU A 509 -11.212 -15.476 5.626 1.00 3.35 H new ATOM 0 HA GLU A 509 -13.807 -14.069 5.560 1.00 21.02 H new ATOM 0 HB2 GLU A 509 -14.829 -16.047 6.558 1.00 20.01 H new ATOM 0 HB3 GLU A 509 -14.306 -16.325 4.908 1.00 20.01 H new ATOM 0 HG2 GLU A 509 -12.146 -17.310 5.996 1.00 12.25 H new ATOM 0 HG3 GLU A 509 -13.098 -17.375 7.466 1.00 12.25 H new ATOM 138 N PRO A 510 -13.470 -13.597 8.024 1.00 15.33 N ATOM 139 CA PRO A 510 -13.138 -13.160 9.380 1.00 62.14 C ATOM 140 C PRO A 510 -13.506 -14.207 10.440 1.00 22.23 C ATOM 141 O PRO A 510 -12.902 -14.266 11.526 1.00 43.33 O ATOM 142 CB PRO A 510 -13.980 -11.897 9.553 1.00 73.22 C ATOM 143 CG PRO A 510 -15.154 -12.092 8.648 1.00 34.11 C ATOM 144 CD PRO A 510 -14.664 -12.919 7.489 1.00 53.12 C ATOM 0 HA PRO A 510 -12.068 -12.998 9.509 1.00 62.14 H new ATOM 0 HB2 PRO A 510 -14.296 -11.771 10.589 1.00 73.22 H new ATOM 0 HB3 PRO A 510 -13.415 -11.005 9.281 1.00 73.22 H new ATOM 0 HG2 PRO A 510 -15.967 -12.597 9.170 1.00 34.11 H new ATOM 0 HG3 PRO A 510 -15.543 -11.134 8.304 1.00 34.11 H new ATOM 0 HD2 PRO A 510 -15.418 -13.635 7.161 1.00 53.12 H new ATOM 0 HD3 PRO A 510 -14.419 -12.297 6.628 1.00 53.12 H new ATOM 152 N VAL A 511 -14.486 -15.025 10.121 1.00 60.23 N ATOM 153 CA VAL A 511 -14.976 -16.062 11.005 1.00 40.53 C ATOM 154 C VAL A 511 -15.242 -17.271 10.153 1.00 5.32 C ATOM 155 O VAL A 511 -15.861 -17.143 9.092 1.00 65.40 O ATOM 156 CB VAL A 511 -16.319 -15.663 11.714 1.00 12.44 C ATOM 157 CG1 VAL A 511 -16.792 -16.758 12.659 1.00 3.11 C ATOM 158 CG2 VAL A 511 -16.204 -14.339 12.456 1.00 3.02 C ATOM 0 H VAL A 511 -14.973 -14.988 9.225 1.00 60.23 H new ATOM 0 HA VAL A 511 -14.233 -16.239 11.782 1.00 40.53 H new ATOM 0 HB VAL A 511 -17.062 -15.539 10.926 1.00 12.44 H new ATOM 0 HG11 VAL A 511 -17.724 -16.451 13.134 1.00 3.11 H new ATOM 0 HG12 VAL A 511 -16.957 -17.677 12.097 1.00 3.11 H new ATOM 0 HG13 VAL A 511 -16.035 -16.931 13.424 1.00 3.11 H new ATOM 0 HG21 VAL A 511 -17.157 -14.104 12.931 1.00 3.02 H new ATOM 0 HG22 VAL A 511 -15.428 -14.415 13.218 1.00 3.02 H new ATOM 0 HG23 VAL A 511 -15.945 -13.549 11.752 1.00 3.02 H new ATOM 168 N THR A 512 -14.782 -18.410 10.571 1.00 72.21 N ATOM 169 CA THR A 512 -15.002 -19.587 9.818 1.00 33.12 C ATOM 170 C THR A 512 -15.612 -20.672 10.709 1.00 14.13 C ATOM 171 O THR A 512 -15.264 -20.802 11.895 1.00 21.20 O ATOM 172 CB THR A 512 -13.693 -20.079 9.114 1.00 70.53 C ATOM 173 OG1 THR A 512 -14.001 -21.048 8.114 1.00 62.41 O ATOM 174 CG2 THR A 512 -12.693 -20.666 10.095 1.00 32.12 C ATOM 0 H THR A 512 -14.252 -18.541 11.433 1.00 72.21 H new ATOM 0 HA THR A 512 -15.712 -19.359 9.023 1.00 33.12 H new ATOM 0 HB THR A 512 -13.234 -19.203 8.655 1.00 70.53 H new ATOM 0 HG1 THR A 512 -14.416 -20.604 7.345 1.00 62.41 H new ATOM 0 HG21 THR A 512 -11.803 -20.992 9.556 1.00 32.12 H new ATOM 0 HG22 THR A 512 -12.416 -19.909 10.829 1.00 32.12 H new ATOM 0 HG23 THR A 512 -13.141 -21.519 10.605 1.00 32.12 H new ATOM 182 N HIS A 513 -16.564 -21.378 10.175 1.00 44.32 N ATOM 183 CA HIS A 513 -17.172 -22.485 10.876 1.00 62.42 C ATOM 184 C HIS A 513 -16.638 -23.757 10.308 1.00 64.32 C ATOM 185 O HIS A 513 -16.834 -24.040 9.115 1.00 61.43 O ATOM 186 CB HIS A 513 -18.702 -22.489 10.754 1.00 53.22 C ATOM 187 CG HIS A 513 -19.416 -21.415 11.502 1.00 54.51 C ATOM 188 ND1 HIS A 513 -20.350 -21.672 12.477 1.00 71.02 N ATOM 189 CD2 HIS A 513 -19.370 -20.071 11.371 1.00 74.35 C ATOM 190 CE1 HIS A 513 -20.838 -20.512 12.898 1.00 52.35 C ATOM 191 NE2 HIS A 513 -20.276 -19.497 12.257 1.00 24.41 N ATOM 0 H HIS A 513 -16.945 -21.209 9.244 1.00 44.32 H new ATOM 0 HA HIS A 513 -16.928 -22.386 11.934 1.00 62.42 H new ATOM 0 HB2 HIS A 513 -18.964 -22.406 9.699 1.00 53.22 H new ATOM 0 HB3 HIS A 513 -19.073 -23.454 11.100 1.00 53.22 H new ATOM 0 HD1 HIS A 513 -20.621 -22.594 12.818 1.00 71.02 H new ATOM 0 HD2 HIS A 513 -18.732 -19.529 10.688 1.00 74.35 H new ATOM 0 HE1 HIS A 513 -21.594 -20.409 13.662 1.00 52.35 H new ATOM 199 N VAL A 514 -15.948 -24.504 11.118 1.00 23.12 N ATOM 200 CA VAL A 514 -15.405 -25.758 10.694 1.00 44.24 C ATOM 201 C VAL A 514 -16.034 -26.856 11.523 1.00 24.53 C ATOM 202 O VAL A 514 -16.656 -26.588 12.563 1.00 22.35 O ATOM 203 CB VAL A 514 -13.843 -25.821 10.806 1.00 12.13 C ATOM 204 CG1 VAL A 514 -13.195 -24.680 10.031 1.00 75.11 C ATOM 205 CG2 VAL A 514 -13.375 -25.824 12.261 1.00 13.25 C ATOM 0 H VAL A 514 -15.747 -24.261 12.088 1.00 23.12 H new ATOM 0 HA VAL A 514 -15.637 -25.885 9.637 1.00 44.24 H new ATOM 0 HB VAL A 514 -13.525 -26.764 10.360 1.00 12.13 H new ATOM 0 HG11 VAL A 514 -12.111 -24.746 10.125 1.00 75.11 H new ATOM 0 HG12 VAL A 514 -13.473 -24.750 8.980 1.00 75.11 H new ATOM 0 HG13 VAL A 514 -13.536 -23.726 10.434 1.00 75.11 H new ATOM 0 HG21 VAL A 514 -12.286 -25.868 12.293 1.00 13.25 H new ATOM 0 HG22 VAL A 514 -13.716 -24.914 12.755 1.00 13.25 H new ATOM 0 HG23 VAL A 514 -13.789 -26.692 12.774 1.00 13.25 H new ATOM 215 N SER A 515 -15.883 -28.061 11.090 1.00 32.34 N ATOM 216 CA SER A 515 -16.459 -29.154 11.785 1.00 51.52 C ATOM 217 C SER A 515 -15.439 -29.768 12.703 1.00 64.20 C ATOM 218 O SER A 515 -14.245 -29.659 12.479 1.00 31.21 O ATOM 219 CB SER A 515 -16.942 -30.213 10.800 1.00 40.33 C ATOM 220 OG SER A 515 -17.644 -31.277 11.459 1.00 62.21 O ATOM 0 H SER A 515 -15.361 -28.312 10.251 1.00 32.34 H new ATOM 0 HA SER A 515 -17.306 -28.788 12.365 1.00 51.52 H new ATOM 0 HB2 SER A 515 -17.596 -29.750 10.061 1.00 40.33 H new ATOM 0 HB3 SER A 515 -16.089 -30.622 10.259 1.00 40.33 H new ATOM 0 HG SER A 515 -17.939 -31.935 10.795 1.00 62.21 H new ATOM 226 N GLU A 516 -15.914 -30.380 13.733 1.00 14.13 N ATOM 227 CA GLU A 516 -15.089 -31.189 14.580 1.00 23.44 C ATOM 228 C GLU A 516 -14.667 -32.437 13.788 1.00 42.43 C ATOM 229 O GLU A 516 -13.534 -32.907 13.865 1.00 23.13 O ATOM 230 CB GLU A 516 -15.878 -31.530 15.872 1.00 41.04 C ATOM 231 CG GLU A 516 -15.223 -32.535 16.811 1.00 40.03 C ATOM 232 CD GLU A 516 -15.756 -33.948 16.634 1.00 53.31 C ATOM 233 OE1 GLU A 516 -15.719 -34.486 15.523 1.00 2.35 O ATOM 234 OE2 GLU A 516 -16.248 -34.528 17.610 1.00 70.13 O ATOM 0 H GLU A 516 -16.892 -30.336 14.018 1.00 14.13 H new ATOM 0 HA GLU A 516 -14.183 -30.666 14.886 1.00 23.44 H new ATOM 0 HB2 GLU A 516 -16.049 -30.606 16.424 1.00 41.04 H new ATOM 0 HB3 GLU A 516 -16.856 -31.915 15.585 1.00 41.04 H new ATOM 0 HG2 GLU A 516 -14.146 -32.535 16.641 1.00 40.03 H new ATOM 0 HG3 GLU A 516 -15.383 -32.219 17.842 1.00 40.03 H new ATOM 241 N SER A 517 -15.572 -32.888 12.947 1.00 30.21 N ATOM 242 CA SER A 517 -15.400 -34.104 12.200 1.00 3.42 C ATOM 243 C SER A 517 -14.908 -33.834 10.764 1.00 12.50 C ATOM 244 O SER A 517 -15.060 -34.676 9.883 1.00 2.23 O ATOM 245 CB SER A 517 -16.737 -34.811 12.160 1.00 75.24 C ATOM 246 OG SER A 517 -17.295 -34.931 13.470 1.00 42.13 O ATOM 0 H SER A 517 -16.455 -32.412 12.764 1.00 30.21 H new ATOM 0 HA SER A 517 -14.641 -34.718 12.686 1.00 3.42 H new ATOM 0 HB2 SER A 517 -17.424 -34.260 11.518 1.00 75.24 H new ATOM 0 HB3 SER A 517 -16.615 -35.801 11.721 1.00 75.24 H new ATOM 0 HG SER A 517 -16.572 -34.980 14.130 1.00 42.13 H new ATOM 252 N ILE A 518 -14.324 -32.664 10.525 1.00 73.22 N ATOM 253 CA ILE A 518 -13.805 -32.359 9.191 1.00 63.34 C ATOM 254 C ILE A 518 -12.410 -32.970 9.037 1.00 62.24 C ATOM 255 O ILE A 518 -11.971 -33.320 7.929 1.00 31.32 O ATOM 256 CB ILE A 518 -13.747 -30.813 8.912 1.00 22.01 C ATOM 257 CG1 ILE A 518 -13.292 -30.517 7.482 1.00 1.14 C ATOM 258 CG2 ILE A 518 -12.850 -30.093 9.904 1.00 2.13 C ATOM 259 CD1 ILE A 518 -13.181 -29.035 7.183 1.00 11.01 C ATOM 0 H ILE A 518 -14.199 -31.926 11.217 1.00 73.22 H new ATOM 0 HA ILE A 518 -14.489 -32.792 8.461 1.00 63.34 H new ATOM 0 HB ILE A 518 -14.762 -30.436 9.036 1.00 22.01 H new ATOM 0 HG12 ILE A 518 -12.324 -30.989 7.311 1.00 1.14 H new ATOM 0 HG13 ILE A 518 -13.995 -30.970 6.783 1.00 1.14 H new ATOM 0 HG21 ILE A 518 -12.837 -29.027 9.676 1.00 2.13 H new ATOM 0 HG22 ILE A 518 -13.230 -30.244 10.914 1.00 2.13 H new ATOM 0 HG23 ILE A 518 -11.838 -30.491 9.834 1.00 2.13 H new ATOM 0 HD11 ILE A 518 -12.854 -28.895 6.153 1.00 11.01 H new ATOM 0 HD12 ILE A 518 -14.153 -28.562 7.323 1.00 11.01 H new ATOM 0 HD13 ILE A 518 -12.456 -28.581 7.859 1.00 11.01 H new ATOM 271 N GLY A 519 -11.736 -33.130 10.153 1.00 44.11 N ATOM 272 CA GLY A 519 -10.395 -33.613 10.129 1.00 4.55 C ATOM 273 C GLY A 519 -9.437 -32.475 10.072 1.00 70.45 C ATOM 274 O GLY A 519 -8.904 -32.043 11.094 1.00 53.42 O ATOM 0 H GLY A 519 -12.104 -32.930 11.083 1.00 44.11 H new ATOM 0 HA2 GLY A 519 -10.202 -34.215 11.017 1.00 4.55 H new ATOM 0 HA3 GLY A 519 -10.251 -34.262 9.266 1.00 4.55 H new ATOM 278 N ILE A 520 -9.285 -31.931 8.907 1.00 73.44 N ATOM 279 CA ILE A 520 -8.356 -30.867 8.674 1.00 21.11 C ATOM 280 C ILE A 520 -9.116 -29.769 7.976 1.00 43.10 C ATOM 281 O ILE A 520 -9.984 -30.053 7.151 1.00 53.33 O ATOM 282 CB ILE A 520 -7.195 -31.325 7.743 1.00 42.24 C ATOM 283 CG1 ILE A 520 -6.493 -32.591 8.260 1.00 50.53 C ATOM 284 CG2 ILE A 520 -6.174 -30.206 7.559 1.00 21.21 C ATOM 285 CD1 ILE A 520 -5.754 -32.414 9.562 1.00 14.45 C ATOM 0 H ILE A 520 -9.808 -32.215 8.079 1.00 73.44 H new ATOM 0 HA ILE A 520 -7.926 -30.542 9.621 1.00 21.11 H new ATOM 0 HB ILE A 520 -7.645 -31.566 6.780 1.00 42.24 H new ATOM 0 HG12 ILE A 520 -7.237 -33.378 8.384 1.00 50.53 H new ATOM 0 HG13 ILE A 520 -5.789 -32.935 7.502 1.00 50.53 H new ATOM 0 HG21 ILE A 520 -5.372 -30.549 6.905 1.00 21.21 H new ATOM 0 HG22 ILE A 520 -6.661 -29.339 7.112 1.00 21.21 H new ATOM 0 HG23 ILE A 520 -5.759 -29.930 8.528 1.00 21.21 H new ATOM 0 HD11 ILE A 520 -5.291 -33.358 9.849 1.00 14.45 H new ATOM 0 HD12 ILE A 520 -4.983 -31.653 9.442 1.00 14.45 H new ATOM 0 HD13 ILE A 520 -6.453 -32.103 10.338 1.00 14.45 H new ATOM 297 N MET A 521 -8.841 -28.554 8.314 1.00 35.13 N ATOM 298 CA MET A 521 -9.482 -27.433 7.683 1.00 51.41 C ATOM 299 C MET A 521 -8.429 -26.528 7.083 1.00 23.30 C ATOM 300 O MET A 521 -7.328 -26.433 7.629 1.00 22.24 O ATOM 301 CB MET A 521 -10.380 -26.695 8.699 1.00 54.42 C ATOM 302 CG MET A 521 -9.672 -25.990 9.865 1.00 22.23 C ATOM 303 SD MET A 521 -9.096 -24.348 9.411 1.00 74.15 S ATOM 304 CE MET A 521 -8.689 -23.652 10.998 1.00 2.13 C ATOM 0 H MET A 521 -8.166 -28.302 9.036 1.00 35.13 H new ATOM 0 HA MET A 521 -10.129 -27.775 6.875 1.00 51.41 H new ATOM 0 HB2 MET A 521 -10.965 -25.952 8.158 1.00 54.42 H new ATOM 0 HB3 MET A 521 -11.085 -27.415 9.115 1.00 54.42 H new ATOM 0 HG2 MET A 521 -10.355 -25.913 10.711 1.00 22.23 H new ATOM 0 HG3 MET A 521 -8.825 -26.593 10.193 1.00 22.23 H new ATOM 0 HE1 MET A 521 -9.398 -22.860 11.240 1.00 2.13 H new ATOM 0 HE2 MET A 521 -8.739 -24.430 11.760 1.00 2.13 H new ATOM 0 HE3 MET A 521 -7.681 -23.239 10.967 1.00 2.13 H new ATOM 314 N GLU A 522 -8.742 -25.926 5.949 1.00 71.20 N ATOM 315 CA GLU A 522 -7.855 -25.002 5.279 1.00 72.22 C ATOM 316 C GLU A 522 -8.474 -23.627 5.265 1.00 2.22 C ATOM 317 O GLU A 522 -9.647 -23.472 4.917 1.00 74.33 O ATOM 318 CB GLU A 522 -7.571 -25.411 3.823 1.00 42.12 C ATOM 319 CG GLU A 522 -6.532 -26.509 3.602 1.00 3.12 C ATOM 320 CD GLU A 522 -6.879 -27.840 4.203 1.00 12.42 C ATOM 321 OE1 GLU A 522 -8.003 -28.355 3.951 1.00 41.31 O ATOM 322 OE2 GLU A 522 -6.015 -28.426 4.873 1.00 4.42 O ATOM 0 H GLU A 522 -9.629 -26.069 5.466 1.00 71.20 H new ATOM 0 HA GLU A 522 -6.915 -25.010 5.830 1.00 72.22 H new ATOM 0 HB2 GLU A 522 -8.509 -25.737 3.373 1.00 42.12 H new ATOM 0 HB3 GLU A 522 -7.248 -24.524 3.279 1.00 42.12 H new ATOM 0 HG2 GLU A 522 -6.385 -26.639 2.530 1.00 3.12 H new ATOM 0 HG3 GLU A 522 -5.580 -26.177 4.017 1.00 3.12 H new ATOM 329 N VAL A 523 -7.721 -22.649 5.661 1.00 52.13 N ATOM 330 CA VAL A 523 -8.177 -21.271 5.608 1.00 73.44 C ATOM 331 C VAL A 523 -7.309 -20.494 4.644 1.00 64.51 C ATOM 332 O VAL A 523 -6.080 -20.538 4.743 1.00 1.01 O ATOM 333 CB VAL A 523 -8.153 -20.593 6.995 1.00 20.04 C ATOM 334 CG1 VAL A 523 -8.643 -19.156 6.904 1.00 52.13 C ATOM 335 CG2 VAL A 523 -9.012 -21.371 7.961 1.00 35.45 C ATOM 0 H VAL A 523 -6.777 -22.768 6.030 1.00 52.13 H new ATOM 0 HA VAL A 523 -9.212 -21.276 5.267 1.00 73.44 H new ATOM 0 HB VAL A 523 -7.124 -20.582 7.355 1.00 20.04 H new ATOM 0 HG11 VAL A 523 -8.617 -18.699 7.893 1.00 52.13 H new ATOM 0 HG12 VAL A 523 -7.999 -18.594 6.228 1.00 52.13 H new ATOM 0 HG13 VAL A 523 -9.665 -19.143 6.525 1.00 52.13 H new ATOM 0 HG21 VAL A 523 -8.991 -20.887 8.938 1.00 35.45 H new ATOM 0 HG22 VAL A 523 -10.038 -21.401 7.593 1.00 35.45 H new ATOM 0 HG23 VAL A 523 -8.629 -22.388 8.051 1.00 35.45 H new ATOM 345 N LYS A 524 -7.945 -19.813 3.725 1.00 55.40 N ATOM 346 CA LYS A 524 -7.282 -19.038 2.693 1.00 1.34 C ATOM 347 C LYS A 524 -6.875 -17.676 3.249 1.00 11.43 C ATOM 348 O LYS A 524 -7.690 -16.977 3.875 1.00 32.12 O ATOM 349 CB LYS A 524 -8.268 -18.816 1.549 1.00 10.35 C ATOM 350 CG LYS A 524 -8.849 -20.092 0.957 1.00 20.01 C ATOM 351 CD LYS A 524 -8.132 -20.542 -0.288 1.00 73.41 C ATOM 352 CE LYS A 524 -8.520 -19.667 -1.471 1.00 74.33 C ATOM 353 NZ LYS A 524 -9.988 -19.659 -1.707 1.00 40.40 N ATOM 0 H LYS A 524 -8.963 -19.778 3.667 1.00 55.40 H new ATOM 0 HA LYS A 524 -6.396 -19.571 2.348 1.00 1.34 H new ATOM 0 HB2 LYS A 524 -9.087 -18.192 1.908 1.00 10.35 H new ATOM 0 HB3 LYS A 524 -7.767 -18.259 0.757 1.00 10.35 H new ATOM 0 HG2 LYS A 524 -8.804 -20.886 1.703 1.00 20.01 H new ATOM 0 HG3 LYS A 524 -9.902 -19.932 0.726 1.00 20.01 H new ATOM 0 HD2 LYS A 524 -7.054 -20.495 -0.131 1.00 73.41 H new ATOM 0 HD3 LYS A 524 -8.378 -21.582 -0.501 1.00 73.41 H new ATOM 0 HE2 LYS A 524 -8.177 -18.648 -1.295 1.00 74.33 H new ATOM 0 HE3 LYS A 524 -8.012 -20.024 -2.367 1.00 74.33 H new ATOM 0 HZ1 LYS A 524 -10.180 -19.383 -2.691 1.00 40.40 H new ATOM 0 HZ2 LYS A 524 -10.373 -20.609 -1.533 1.00 40.40 H new ATOM 0 HZ3 LYS A 524 -10.440 -18.979 -1.063 1.00 40.40 H new ATOM 367 N VAL A 525 -5.643 -17.312 3.050 1.00 71.33 N ATOM 368 CA VAL A 525 -5.165 -16.003 3.451 1.00 62.24 C ATOM 369 C VAL A 525 -4.994 -15.156 2.214 1.00 24.02 C ATOM 370 O VAL A 525 -4.207 -15.497 1.326 1.00 43.33 O ATOM 371 CB VAL A 525 -3.834 -16.071 4.235 1.00 72.15 C ATOM 372 CG1 VAL A 525 -3.380 -14.683 4.677 1.00 65.14 C ATOM 373 CG2 VAL A 525 -3.988 -16.965 5.436 1.00 60.20 C ATOM 0 H VAL A 525 -4.938 -17.902 2.609 1.00 71.33 H new ATOM 0 HA VAL A 525 -5.901 -15.563 4.124 1.00 62.24 H new ATOM 0 HB VAL A 525 -3.073 -16.482 3.571 1.00 72.15 H new ATOM 0 HG11 VAL A 525 -2.442 -14.765 5.226 1.00 65.14 H new ATOM 0 HG12 VAL A 525 -3.234 -14.052 3.801 1.00 65.14 H new ATOM 0 HG13 VAL A 525 -4.139 -14.240 5.321 1.00 65.14 H new ATOM 0 HG21 VAL A 525 -3.045 -17.007 5.982 1.00 60.20 H new ATOM 0 HG22 VAL A 525 -4.767 -16.569 6.087 1.00 60.20 H new ATOM 0 HG23 VAL A 525 -4.263 -17.968 5.110 1.00 60.20 H new ATOM 383 N LEU A 526 -5.729 -14.079 2.160 1.00 40.31 N ATOM 384 CA LEU A 526 -5.755 -13.207 1.019 1.00 4.13 C ATOM 385 C LEU A 526 -4.429 -12.496 0.834 1.00 52.31 C ATOM 386 O LEU A 526 -3.924 -11.812 1.747 1.00 50.54 O ATOM 387 CB LEU A 526 -6.905 -12.199 1.131 1.00 1.20 C ATOM 388 CG LEU A 526 -8.331 -12.778 1.087 1.00 20.24 C ATOM 389 CD1 LEU A 526 -9.356 -11.677 1.291 1.00 61.21 C ATOM 390 CD2 LEU A 526 -8.576 -13.491 -0.238 1.00 45.30 C ATOM 0 H LEU A 526 -6.337 -13.778 2.922 1.00 40.31 H new ATOM 0 HA LEU A 526 -5.924 -13.823 0.135 1.00 4.13 H new ATOM 0 HB2 LEU A 526 -6.788 -11.650 2.065 1.00 1.20 H new ATOM 0 HB3 LEU A 526 -6.805 -11.476 0.322 1.00 1.20 H new ATOM 0 HG LEU A 526 -8.434 -13.503 1.895 1.00 20.24 H new ATOM 0 HD11 LEU A 526 -10.359 -12.103 1.257 1.00 61.21 H new ATOM 0 HD12 LEU A 526 -9.195 -11.205 2.260 1.00 61.21 H new ATOM 0 HD13 LEU A 526 -9.251 -10.932 0.502 1.00 61.21 H new ATOM 0 HD21 LEU A 526 -9.589 -13.894 -0.252 1.00 45.30 H new ATOM 0 HD22 LEU A 526 -8.455 -12.784 -1.059 1.00 45.30 H new ATOM 0 HD23 LEU A 526 -7.860 -14.305 -0.351 1.00 45.30 H new ATOM 402 N ARG A 527 -3.861 -12.696 -0.335 1.00 50.40 N ATOM 403 CA ARG A 527 -2.619 -12.084 -0.730 1.00 70.12 C ATOM 404 C ARG A 527 -2.835 -10.592 -0.892 1.00 70.30 C ATOM 405 O ARG A 527 -3.922 -10.146 -1.282 1.00 13.21 O ATOM 406 CB ARG A 527 -2.128 -12.705 -2.063 1.00 14.54 C ATOM 407 CG ARG A 527 -0.767 -12.208 -2.623 1.00 75.44 C ATOM 408 CD ARG A 527 0.422 -12.508 -1.692 1.00 32.35 C ATOM 409 NE ARG A 527 1.739 -12.205 -2.339 1.00 41.41 N ATOM 410 CZ ARG A 527 2.839 -11.666 -1.739 1.00 13.21 C ATOM 411 NH1 ARG A 527 2.841 -11.410 -0.446 1.00 51.14 N ATOM 412 NH2 ARG A 527 3.943 -11.435 -2.447 1.00 62.44 N ATOM 0 H ARG A 527 -4.262 -13.303 -1.051 1.00 50.40 H new ATOM 0 HA ARG A 527 -1.860 -12.259 0.033 1.00 70.12 H new ATOM 0 HB2 ARG A 527 -2.063 -13.785 -1.928 1.00 14.54 H new ATOM 0 HB3 ARG A 527 -2.891 -12.524 -2.820 1.00 14.54 H new ATOM 0 HG2 ARG A 527 -0.588 -12.676 -3.591 1.00 75.44 H new ATOM 0 HG3 ARG A 527 -0.823 -11.133 -2.794 1.00 75.44 H new ATOM 0 HD2 ARG A 527 0.324 -11.920 -0.779 1.00 32.35 H new ATOM 0 HD3 ARG A 527 0.396 -13.558 -1.399 1.00 32.35 H new ATOM 0 HE ARG A 527 1.822 -12.425 -3.332 1.00 41.41 H new ATOM 0 HH11 ARG A 527 2.015 -11.615 0.116 1.00 51.14 H new ATOM 0 HH12 ARG A 527 3.669 -11.007 -0.007 1.00 51.14 H new ATOM 0 HH21 ARG A 527 3.968 -11.661 -3.441 1.00 62.44 H new ATOM 0 HH22 ARG A 527 4.764 -11.032 -1.995 1.00 62.44 H new ATOM 426 N THR A 528 -1.822 -9.858 -0.559 1.00 40.13 N ATOM 427 CA THR A 528 -1.768 -8.458 -0.680 1.00 63.52 C ATOM 428 C THR A 528 -2.040 -8.045 -2.138 1.00 72.31 C ATOM 429 O THR A 528 -1.671 -8.777 -3.081 1.00 53.34 O ATOM 430 CB THR A 528 -0.367 -8.018 -0.187 1.00 40.24 C ATOM 431 OG1 THR A 528 -0.300 -6.654 -0.030 1.00 52.04 O ATOM 432 CG2 THR A 528 0.752 -8.489 -1.109 1.00 72.33 C ATOM 0 H THR A 528 -0.965 -10.255 -0.174 1.00 40.13 H new ATOM 0 HA THR A 528 -2.532 -7.966 -0.078 1.00 63.52 H new ATOM 0 HB THR A 528 -0.221 -8.496 0.782 1.00 40.24 H new ATOM 0 HG1 THR A 528 -0.283 -6.224 -0.910 1.00 52.04 H new ATOM 0 HG21 THR A 528 1.712 -8.153 -0.717 1.00 72.33 H new ATOM 0 HG22 THR A 528 0.743 -9.578 -1.165 1.00 72.33 H new ATOM 0 HG23 THR A 528 0.602 -8.073 -2.105 1.00 72.33 H new ATOM 440 N SER A 529 -2.741 -6.924 -2.301 1.00 61.34 N ATOM 441 CA SER A 529 -3.138 -6.405 -3.592 1.00 52.41 C ATOM 442 C SER A 529 -1.941 -6.281 -4.537 1.00 42.12 C ATOM 443 O SER A 529 -2.046 -6.548 -5.730 1.00 51.14 O ATOM 444 CB SER A 529 -3.847 -5.047 -3.438 1.00 32.51 C ATOM 445 OG SER A 529 -4.421 -4.626 -4.668 1.00 21.43 O ATOM 0 H SER A 529 -3.051 -6.346 -1.519 1.00 61.34 H new ATOM 0 HA SER A 529 -3.838 -7.115 -4.032 1.00 52.41 H new ATOM 0 HB2 SER A 529 -4.624 -5.124 -2.678 1.00 32.51 H new ATOM 0 HB3 SER A 529 -3.134 -4.299 -3.091 1.00 32.51 H new ATOM 0 HG SER A 529 -4.866 -3.762 -4.542 1.00 21.43 H new ATOM 451 N GLY A 530 -0.820 -5.927 -3.989 1.00 51.14 N ATOM 452 CA GLY A 530 0.373 -5.797 -4.760 1.00 35.05 C ATOM 453 C GLY A 530 1.389 -6.792 -4.302 1.00 3.00 C ATOM 454 O GLY A 530 2.107 -6.561 -3.324 1.00 52.43 O ATOM 0 H GLY A 530 -0.708 -5.721 -2.996 1.00 51.14 H new ATOM 0 HA2 GLY A 530 0.152 -5.951 -5.816 1.00 35.05 H new ATOM 0 HA3 GLY A 530 0.771 -4.787 -4.662 1.00 35.05 H new ATOM 458 N ALA A 531 1.456 -7.905 -4.971 1.00 63.52 N ATOM 459 CA ALA A 531 2.377 -8.932 -4.597 1.00 52.11 C ATOM 460 C ALA A 531 3.704 -8.636 -5.223 1.00 63.25 C ATOM 461 O ALA A 531 3.890 -8.816 -6.426 1.00 14.03 O ATOM 462 CB ALA A 531 1.879 -10.296 -5.036 1.00 4.35 C ATOM 0 H ALA A 531 0.879 -8.124 -5.783 1.00 63.52 H new ATOM 0 HA ALA A 531 2.473 -8.951 -3.511 1.00 52.11 H new ATOM 0 HB1 ALA A 531 2.599 -11.059 -4.739 1.00 4.35 H new ATOM 0 HB2 ALA A 531 0.918 -10.501 -4.565 1.00 4.35 H new ATOM 0 HB3 ALA A 531 1.763 -10.309 -6.120 1.00 4.35 H new ATOM 468 N ARG A 532 4.595 -8.112 -4.431 1.00 24.01 N ATOM 469 CA ARG A 532 5.906 -7.761 -4.887 1.00 41.42 C ATOM 470 C ARG A 532 6.924 -8.452 -4.018 1.00 71.04 C ATOM 471 O ARG A 532 6.946 -8.242 -2.798 1.00 43.14 O ATOM 472 CB ARG A 532 6.117 -6.234 -4.827 1.00 62.51 C ATOM 473 CG ARG A 532 5.040 -5.414 -5.535 1.00 52.53 C ATOM 474 CD ARG A 532 4.913 -5.782 -7.004 1.00 2.31 C ATOM 475 NE ARG A 532 3.800 -5.078 -7.643 1.00 41.25 N ATOM 476 CZ ARG A 532 3.239 -5.413 -8.809 1.00 13.40 C ATOM 477 NH1 ARG A 532 3.664 -6.488 -9.483 1.00 64.34 N ATOM 478 NH2 ARG A 532 2.263 -4.667 -9.300 1.00 32.35 N ATOM 0 H ARG A 532 4.429 -7.916 -3.444 1.00 24.01 H new ATOM 0 HA ARG A 532 6.020 -8.078 -5.924 1.00 41.42 H new ATOM 0 HB2 ARG A 532 6.160 -5.927 -3.782 1.00 62.51 H new ATOM 0 HB3 ARG A 532 7.085 -5.997 -5.269 1.00 62.51 H new ATOM 0 HG2 ARG A 532 4.082 -5.570 -5.039 1.00 52.53 H new ATOM 0 HG3 ARG A 532 5.276 -4.354 -5.447 1.00 52.53 H new ATOM 0 HD2 ARG A 532 5.842 -5.541 -7.521 1.00 2.31 H new ATOM 0 HD3 ARG A 532 4.766 -6.858 -7.098 1.00 2.31 H new ATOM 0 HE ARG A 532 3.421 -4.264 -7.158 1.00 41.25 H new ATOM 0 HH11 ARG A 532 4.421 -7.059 -9.108 1.00 64.34 H new ATOM 0 HH12 ARG A 532 3.230 -6.737 -10.372 1.00 64.34 H new ATOM 0 HH21 ARG A 532 1.944 -3.844 -8.789 1.00 32.35 H new ATOM 0 HH22 ARG A 532 1.829 -4.915 -10.189 1.00 32.35 H new ATOM 492 N GLY A 533 7.699 -9.319 -4.620 1.00 52.45 N ATOM 493 CA GLY A 533 8.759 -9.988 -3.913 1.00 24.41 C ATOM 494 C GLY A 533 8.283 -11.127 -3.027 1.00 63.03 C ATOM 495 O GLY A 533 7.067 -11.439 -2.952 1.00 64.14 O ATOM 0 H GLY A 533 7.614 -9.578 -5.603 1.00 52.45 H new ATOM 0 HA2 GLY A 533 9.476 -10.378 -4.636 1.00 24.41 H new ATOM 0 HA3 GLY A 533 9.289 -9.260 -3.299 1.00 24.41 H new ATOM 499 N ASN A 534 9.229 -11.734 -2.353 1.00 60.04 N ATOM 500 CA ASN A 534 8.983 -12.853 -1.475 1.00 74.05 C ATOM 501 C ASN A 534 8.719 -12.345 -0.066 1.00 63.33 C ATOM 502 O ASN A 534 9.509 -11.577 0.498 1.00 25.25 O ATOM 503 CB ASN A 534 10.177 -13.825 -1.509 1.00 61.32 C ATOM 504 CG ASN A 534 10.015 -15.055 -0.620 1.00 61.10 C ATOM 505 OD1 ASN A 534 8.808 -15.532 -0.441 1.00 63.54 O flip ATOM 506 ND2 ASN A 534 10.995 -15.593 -0.122 1.00 12.15 N flip ATOM 0 H ASN A 534 10.210 -11.459 -2.400 1.00 60.04 H new ATOM 0 HA ASN A 534 8.102 -13.399 -1.813 1.00 74.05 H new ATOM 0 HB2 ASN A 534 10.334 -14.153 -2.537 1.00 61.32 H new ATOM 0 HB3 ASN A 534 11.076 -13.288 -1.205 1.00 61.32 H new ATOM 0 HD21 ASN A 534 11.925 -15.202 -0.276 1.00 12.15 H new ATOM 0 HD22 ASN A 534 10.882 -16.432 0.447 1.00 12.15 H new ATOM 513 N VAL A 535 7.602 -12.752 0.486 1.00 61.23 N ATOM 514 CA VAL A 535 7.149 -12.292 1.776 1.00 2.54 C ATOM 515 C VAL A 535 6.711 -13.479 2.603 1.00 54.31 C ATOM 516 O VAL A 535 6.010 -14.360 2.107 1.00 31.21 O ATOM 517 CB VAL A 535 5.941 -11.324 1.614 1.00 13.21 C ATOM 518 CG1 VAL A 535 5.418 -10.824 2.955 1.00 60.33 C ATOM 519 CG2 VAL A 535 6.301 -10.168 0.705 1.00 34.41 C ATOM 0 H VAL A 535 6.972 -13.422 0.045 1.00 61.23 H new ATOM 0 HA VAL A 535 7.968 -11.767 2.267 1.00 2.54 H new ATOM 0 HB VAL A 535 5.133 -11.890 1.151 1.00 13.21 H new ATOM 0 HG11 VAL A 535 4.576 -10.152 2.789 1.00 60.33 H new ATOM 0 HG12 VAL A 535 5.093 -11.672 3.558 1.00 60.33 H new ATOM 0 HG13 VAL A 535 6.211 -10.290 3.478 1.00 60.33 H new ATOM 0 HG21 VAL A 535 5.443 -9.503 0.605 1.00 34.41 H new ATOM 0 HG22 VAL A 535 7.139 -9.617 1.132 1.00 34.41 H new ATOM 0 HG23 VAL A 535 6.580 -10.550 -0.277 1.00 34.41 H new ATOM 529 N ILE A 536 7.120 -13.511 3.825 1.00 60.53 N ATOM 530 CA ILE A 536 6.730 -14.558 4.712 1.00 13.25 C ATOM 531 C ILE A 536 5.719 -14.020 5.705 1.00 75.40 C ATOM 532 O ILE A 536 5.887 -12.916 6.235 1.00 75.13 O ATOM 533 CB ILE A 536 7.942 -15.160 5.463 1.00 54.11 C ATOM 534 CG1 ILE A 536 8.917 -15.846 4.497 1.00 75.02 C ATOM 535 CG2 ILE A 536 7.479 -16.129 6.517 1.00 12.12 C ATOM 536 CD1 ILE A 536 8.294 -16.936 3.657 1.00 43.43 C ATOM 0 H ILE A 536 7.736 -12.812 4.240 1.00 60.53 H new ATOM 0 HA ILE A 536 6.285 -15.358 4.120 1.00 13.25 H new ATOM 0 HB ILE A 536 8.474 -14.340 5.947 1.00 54.11 H new ATOM 0 HG12 ILE A 536 9.345 -15.093 3.835 1.00 75.02 H new ATOM 0 HG13 ILE A 536 9.740 -16.271 5.071 1.00 75.02 H new ATOM 0 HG21 ILE A 536 8.344 -16.543 7.036 1.00 12.12 H new ATOM 0 HG22 ILE A 536 6.841 -15.611 7.233 1.00 12.12 H new ATOM 0 HG23 ILE A 536 6.917 -16.936 6.047 1.00 12.12 H new ATOM 0 HD11 ILE A 536 9.051 -17.368 3.003 1.00 43.43 H new ATOM 0 HD12 ILE A 536 7.891 -17.712 4.308 1.00 43.43 H new ATOM 0 HD13 ILE A 536 7.490 -16.515 3.053 1.00 43.43 H new ATOM 548 N VAL A 537 4.669 -14.758 5.926 1.00 44.33 N ATOM 549 CA VAL A 537 3.659 -14.357 6.863 1.00 44.22 C ATOM 550 C VAL A 537 3.488 -15.434 7.928 1.00 22.02 C ATOM 551 O VAL A 537 3.048 -16.545 7.626 1.00 72.23 O ATOM 552 CB VAL A 537 2.304 -14.068 6.168 1.00 62.25 C ATOM 553 CG1 VAL A 537 1.253 -13.613 7.176 1.00 4.13 C ATOM 554 CG2 VAL A 537 2.483 -13.021 5.091 1.00 35.53 C ATOM 0 H VAL A 537 4.489 -15.650 5.465 1.00 44.33 H new ATOM 0 HA VAL A 537 3.987 -13.429 7.331 1.00 44.22 H new ATOM 0 HB VAL A 537 1.954 -14.994 5.711 1.00 62.25 H new ATOM 0 HG11 VAL A 537 0.313 -13.418 6.659 1.00 4.13 H new ATOM 0 HG12 VAL A 537 1.102 -14.394 7.921 1.00 4.13 H new ATOM 0 HG13 VAL A 537 1.592 -12.702 7.669 1.00 4.13 H new ATOM 0 HG21 VAL A 537 1.524 -12.826 4.610 1.00 35.53 H new ATOM 0 HG22 VAL A 537 2.859 -12.100 5.537 1.00 35.53 H new ATOM 0 HG23 VAL A 537 3.195 -13.381 4.348 1.00 35.53 H new ATOM 564 N PRO A 538 3.902 -15.152 9.160 1.00 12.25 N ATOM 565 CA PRO A 538 3.737 -16.084 10.272 1.00 51.10 C ATOM 566 C PRO A 538 2.272 -16.209 10.688 1.00 14.32 C ATOM 567 O PRO A 538 1.461 -15.332 10.404 1.00 52.33 O ATOM 568 CB PRO A 538 4.552 -15.445 11.399 1.00 73.34 C ATOM 569 CG PRO A 538 4.615 -14.000 11.061 1.00 61.14 C ATOM 570 CD PRO A 538 4.571 -13.906 9.570 1.00 41.01 C ATOM 0 HA PRO A 538 4.061 -17.093 10.016 1.00 51.10 H new ATOM 0 HB2 PRO A 538 4.077 -15.603 12.367 1.00 73.34 H new ATOM 0 HB3 PRO A 538 5.550 -15.880 11.459 1.00 73.34 H new ATOM 0 HG2 PRO A 538 3.779 -13.461 11.508 1.00 61.14 H new ATOM 0 HG3 PRO A 538 5.529 -13.551 11.450 1.00 61.14 H new ATOM 0 HD2 PRO A 538 4.017 -13.027 9.241 1.00 41.01 H new ATOM 0 HD3 PRO A 538 5.571 -13.830 9.144 1.00 41.01 H new ATOM 578 N TYR A 539 1.936 -17.286 11.331 1.00 41.15 N ATOM 579 CA TYR A 539 0.596 -17.492 11.813 1.00 14.14 C ATOM 580 C TYR A 539 0.634 -18.375 13.018 1.00 41.43 C ATOM 581 O TYR A 539 1.586 -19.156 13.188 1.00 31.13 O ATOM 582 CB TYR A 539 -0.320 -18.097 10.733 1.00 5.33 C ATOM 583 CG TYR A 539 0.031 -19.503 10.276 1.00 35.43 C ATOM 584 CD1 TYR A 539 0.903 -19.707 9.228 1.00 72.43 C ATOM 585 CD2 TYR A 539 -0.544 -20.618 10.876 1.00 44.31 C ATOM 586 CE1 TYR A 539 1.197 -20.976 8.780 1.00 0.22 C ATOM 587 CE2 TYR A 539 -0.249 -21.890 10.440 1.00 2.02 C ATOM 588 CZ TYR A 539 0.622 -22.063 9.389 1.00 44.13 C ATOM 589 OH TYR A 539 0.898 -23.328 8.928 1.00 34.52 O ATOM 0 H TYR A 539 2.580 -18.049 11.538 1.00 41.15 H new ATOM 0 HA TYR A 539 0.178 -16.521 12.079 1.00 14.14 H new ATOM 0 HB2 TYR A 539 -1.342 -18.104 11.113 1.00 5.33 H new ATOM 0 HB3 TYR A 539 -0.308 -17.440 9.864 1.00 5.33 H new ATOM 0 HD1 TYR A 539 1.364 -18.856 8.749 1.00 72.43 H new ATOM 0 HD2 TYR A 539 -1.233 -20.484 11.697 1.00 44.31 H new ATOM 0 HE1 TYR A 539 1.877 -21.115 7.953 1.00 0.22 H new ATOM 0 HE2 TYR A 539 -0.698 -22.747 10.920 1.00 2.02 H new ATOM 0 HH TYR A 539 0.413 -23.986 9.468 1.00 34.52 H new ATOM 599 N LYS A 540 -0.373 -18.264 13.843 1.00 4.14 N ATOM 600 CA LYS A 540 -0.466 -19.069 15.038 1.00 4.44 C ATOM 601 C LYS A 540 -1.905 -19.288 15.471 1.00 44.54 C ATOM 602 O LYS A 540 -2.784 -18.448 15.196 1.00 35.35 O ATOM 603 CB LYS A 540 0.423 -18.490 16.184 1.00 64.42 C ATOM 604 CG LYS A 540 0.263 -16.990 16.527 1.00 31.44 C ATOM 605 CD LYS A 540 -1.082 -16.643 17.140 1.00 72.53 C ATOM 606 CE LYS A 540 -1.157 -15.176 17.520 1.00 34.31 C ATOM 607 NZ LYS A 540 -0.256 -14.838 18.638 1.00 30.44 N ATOM 0 H LYS A 540 -1.150 -17.617 13.709 1.00 4.14 H new ATOM 0 HA LYS A 540 -0.071 -20.056 14.797 1.00 4.44 H new ATOM 0 HB2 LYS A 540 0.222 -19.065 17.088 1.00 64.42 H new ATOM 0 HB3 LYS A 540 1.466 -18.665 15.921 1.00 64.42 H new ATOM 0 HG2 LYS A 540 1.053 -16.698 17.219 1.00 31.44 H new ATOM 0 HG3 LYS A 540 0.401 -16.402 15.619 1.00 31.44 H new ATOM 0 HD2 LYS A 540 -1.877 -16.878 16.432 1.00 72.53 H new ATOM 0 HD3 LYS A 540 -1.250 -17.258 18.024 1.00 72.53 H new ATOM 0 HE2 LYS A 540 -0.902 -14.566 16.654 1.00 34.31 H new ATOM 0 HE3 LYS A 540 -2.182 -14.927 17.795 1.00 34.31 H new ATOM 0 HZ1 LYS A 540 -0.486 -13.888 18.994 1.00 30.44 H new ATOM 0 HZ2 LYS A 540 -0.376 -15.533 19.403 1.00 30.44 H new ATOM 0 HZ3 LYS A 540 0.730 -14.854 18.307 1.00 30.44 H new ATOM 621 N THR A 541 -2.155 -20.419 16.081 1.00 75.54 N ATOM 622 CA THR A 541 -3.433 -20.709 16.654 1.00 42.15 C ATOM 623 C THR A 541 -3.529 -20.098 18.043 1.00 33.35 C ATOM 624 O THR A 541 -2.605 -20.225 18.856 1.00 5.31 O ATOM 625 CB THR A 541 -3.694 -22.234 16.712 1.00 23.40 C ATOM 626 OG1 THR A 541 -2.518 -22.933 17.137 1.00 31.01 O ATOM 627 CG2 THR A 541 -4.115 -22.776 15.370 1.00 2.43 C ATOM 0 H THR A 541 -1.469 -21.166 16.192 1.00 75.54 H new ATOM 0 HA THR A 541 -4.200 -20.268 16.017 1.00 42.15 H new ATOM 0 HB THR A 541 -4.500 -22.390 17.429 1.00 23.40 H new ATOM 0 HG1 THR A 541 -2.420 -22.848 18.108 1.00 31.01 H new ATOM 0 HG21 THR A 541 -4.289 -23.849 15.449 1.00 2.43 H new ATOM 0 HG22 THR A 541 -5.032 -22.282 15.050 1.00 2.43 H new ATOM 0 HG23 THR A 541 -3.328 -22.589 14.639 1.00 2.43 H new ATOM 635 N ILE A 542 -4.601 -19.408 18.287 1.00 13.52 N ATOM 636 CA ILE A 542 -4.844 -18.772 19.547 1.00 35.51 C ATOM 637 C ILE A 542 -5.847 -19.609 20.307 1.00 34.13 C ATOM 638 O ILE A 542 -6.972 -19.832 19.826 1.00 22.40 O ATOM 639 CB ILE A 542 -5.448 -17.359 19.353 1.00 12.21 C ATOM 640 CG1 ILE A 542 -4.574 -16.509 18.424 1.00 51.12 C ATOM 641 CG2 ILE A 542 -5.642 -16.656 20.702 1.00 53.14 C ATOM 642 CD1 ILE A 542 -5.168 -15.155 18.093 1.00 31.30 C ATOM 0 H ILE A 542 -5.345 -19.268 17.604 1.00 13.52 H new ATOM 0 HA ILE A 542 -3.900 -18.681 20.084 1.00 35.51 H new ATOM 0 HB ILE A 542 -6.425 -17.477 18.885 1.00 12.21 H new ATOM 0 HG12 ILE A 542 -3.600 -16.363 18.890 1.00 51.12 H new ATOM 0 HG13 ILE A 542 -4.405 -17.057 17.497 1.00 51.12 H new ATOM 0 HG21 ILE A 542 -6.067 -15.666 20.538 1.00 53.14 H new ATOM 0 HG22 ILE A 542 -6.318 -17.243 21.324 1.00 53.14 H new ATOM 0 HG23 ILE A 542 -4.679 -16.559 21.204 1.00 53.14 H new ATOM 0 HD11 ILE A 542 -4.492 -14.613 17.432 1.00 31.30 H new ATOM 0 HD12 ILE A 542 -6.129 -15.291 17.597 1.00 31.30 H new ATOM 0 HD13 ILE A 542 -5.311 -14.586 19.012 1.00 31.30 H new ATOM 654 N GLU A 543 -5.449 -20.080 21.452 1.00 33.22 N ATOM 655 CA GLU A 543 -6.312 -20.857 22.303 1.00 33.25 C ATOM 656 C GLU A 543 -7.244 -19.927 23.045 1.00 53.23 C ATOM 657 O GLU A 543 -6.970 -18.726 23.164 1.00 2.32 O ATOM 658 CB GLU A 543 -5.498 -21.653 23.307 1.00 24.34 C ATOM 659 CG GLU A 543 -4.586 -22.693 22.700 1.00 71.45 C ATOM 660 CD GLU A 543 -3.781 -23.400 23.749 1.00 54.41 C ATOM 661 OE1 GLU A 543 -4.363 -24.131 24.560 1.00 75.05 O ATOM 662 OE2 GLU A 543 -2.553 -23.202 23.812 1.00 62.02 O ATOM 0 H GLU A 543 -4.511 -19.937 21.827 1.00 33.22 H new ATOM 0 HA GLU A 543 -6.883 -21.551 21.686 1.00 33.25 H new ATOM 0 HB2 GLU A 543 -4.896 -20.961 23.896 1.00 24.34 H new ATOM 0 HB3 GLU A 543 -6.181 -22.148 23.997 1.00 24.34 H new ATOM 0 HG2 GLU A 543 -5.180 -23.419 22.145 1.00 71.45 H new ATOM 0 HG3 GLU A 543 -3.915 -22.217 21.985 1.00 71.45 H new ATOM 669 N GLY A 544 -8.316 -20.461 23.540 1.00 74.23 N ATOM 670 CA GLY A 544 -9.249 -19.672 24.269 1.00 71.42 C ATOM 671 C GLY A 544 -10.405 -20.488 24.680 1.00 53.15 C ATOM 672 O GLY A 544 -10.344 -21.215 25.666 1.00 33.32 O ATOM 0 H GLY A 544 -8.565 -21.446 23.450 1.00 74.23 H new ATOM 0 HA2 GLY A 544 -8.766 -19.247 25.148 1.00 71.42 H new ATOM 0 HA3 GLY A 544 -9.586 -18.837 23.655 1.00 71.42 H new ATOM 676 N THR A 545 -11.444 -20.395 23.909 1.00 43.42 N ATOM 677 CA THR A 545 -12.646 -21.110 24.154 1.00 74.32 C ATOM 678 C THR A 545 -12.418 -22.612 23.861 1.00 50.43 C ATOM 679 O THR A 545 -13.025 -23.479 24.476 1.00 54.12 O ATOM 680 CB THR A 545 -13.712 -20.537 23.232 1.00 62.45 C ATOM 681 OG1 THR A 545 -13.363 -19.161 22.952 1.00 4.11 O ATOM 682 CG2 THR A 545 -15.055 -20.553 23.909 1.00 70.45 C ATOM 0 H THR A 545 -11.475 -19.807 23.076 1.00 43.42 H new ATOM 0 HA THR A 545 -12.961 -21.013 25.193 1.00 74.32 H new ATOM 0 HB THR A 545 -13.764 -21.133 22.321 1.00 62.45 H new ATOM 0 HG1 THR A 545 -14.035 -18.768 22.357 1.00 4.11 H new ATOM 0 HG21 THR A 545 -15.807 -20.140 23.236 1.00 70.45 H new ATOM 0 HG22 THR A 545 -15.321 -21.579 24.165 1.00 70.45 H new ATOM 0 HG23 THR A 545 -15.012 -19.952 24.817 1.00 70.45 H new ATOM 690 N ALA A 546 -11.542 -22.885 22.906 1.00 31.41 N ATOM 691 CA ALA A 546 -11.130 -24.232 22.584 1.00 30.34 C ATOM 692 C ALA A 546 -9.698 -24.432 23.078 1.00 61.11 C ATOM 693 O ALA A 546 -8.940 -23.449 23.218 1.00 11.24 O ATOM 694 CB ALA A 546 -11.225 -24.482 21.084 1.00 22.50 C ATOM 0 H ALA A 546 -11.097 -22.169 22.332 1.00 31.41 H new ATOM 0 HA ALA A 546 -11.791 -24.946 23.075 1.00 30.34 H new ATOM 0 HB1 ALA A 546 -10.910 -25.502 20.864 1.00 22.50 H new ATOM 0 HB2 ALA A 546 -12.255 -24.342 20.756 1.00 22.50 H new ATOM 0 HB3 ALA A 546 -10.578 -23.781 20.557 1.00 22.50 H new ATOM 700 N ARG A 547 -9.325 -25.665 23.327 1.00 34.43 N ATOM 701 CA ARG A 547 -8.011 -25.986 23.883 1.00 22.43 C ATOM 702 C ARG A 547 -7.039 -26.475 22.827 1.00 20.04 C ATOM 703 O ARG A 547 -7.377 -27.299 21.968 1.00 1.34 O ATOM 704 CB ARG A 547 -8.148 -27.033 24.958 1.00 42.35 C ATOM 705 CG ARG A 547 -8.990 -26.591 26.111 1.00 75.22 C ATOM 706 CD ARG A 547 -9.130 -27.707 27.114 1.00 41.34 C ATOM 707 NE ARG A 547 -10.071 -27.399 28.187 1.00 72.04 N ATOM 708 CZ ARG A 547 -10.579 -28.316 29.019 1.00 30.41 C ATOM 709 NH1 ARG A 547 -10.167 -29.579 28.940 1.00 53.05 N ATOM 710 NH2 ARG A 547 -11.483 -27.970 29.936 1.00 5.14 N ATOM 0 H ARG A 547 -9.914 -26.479 23.154 1.00 34.43 H new ATOM 0 HA ARG A 547 -7.608 -25.064 24.303 1.00 22.43 H new ATOM 0 HB2 ARG A 547 -8.582 -27.934 24.525 1.00 42.35 H new ATOM 0 HB3 ARG A 547 -7.156 -27.301 25.323 1.00 42.35 H new ATOM 0 HG2 ARG A 547 -8.539 -25.720 26.586 1.00 75.22 H new ATOM 0 HG3 ARG A 547 -9.974 -26.287 25.756 1.00 75.22 H new ATOM 0 HD2 ARG A 547 -9.458 -28.610 26.600 1.00 41.34 H new ATOM 0 HD3 ARG A 547 -8.153 -27.923 27.547 1.00 41.34 H new ATOM 0 HE ARG A 547 -10.358 -26.428 28.310 1.00 72.04 H new ATOM 0 HH11 ARG A 547 -9.467 -29.845 28.247 1.00 53.05 H new ATOM 0 HH12 ARG A 547 -10.551 -30.281 29.572 1.00 53.05 H new ATOM 0 HH21 ARG A 547 -11.792 -27.001 30.007 1.00 5.14 H new ATOM 0 HH22 ARG A 547 -11.865 -28.675 30.566 1.00 5.14 H new ATOM 724 N GLY A 548 -5.830 -26.008 22.915 1.00 2.23 N ATOM 725 CA GLY A 548 -4.831 -26.361 21.934 1.00 42.21 C ATOM 726 C GLY A 548 -4.143 -27.666 22.247 1.00 5.33 C ATOM 727 O GLY A 548 -4.746 -28.577 22.811 1.00 73.30 O ATOM 0 H GLY A 548 -5.505 -25.382 23.652 1.00 2.23 H new ATOM 0 HA2 GLY A 548 -5.300 -26.429 20.952 1.00 42.21 H new ATOM 0 HA3 GLY A 548 -4.086 -25.567 21.878 1.00 42.21 H new ATOM 731 N GLY A 549 -2.896 -27.771 21.822 1.00 24.43 N ATOM 732 CA GLY A 549 -2.054 -28.935 22.090 1.00 65.01 C ATOM 733 C GLY A 549 -2.562 -30.265 21.532 1.00 44.50 C ATOM 734 O GLY A 549 -1.984 -31.309 21.824 1.00 63.23 O ATOM 0 H GLY A 549 -2.430 -27.046 21.276 1.00 24.43 H new ATOM 0 HA2 GLY A 549 -1.062 -28.745 21.679 1.00 65.01 H new ATOM 0 HA3 GLY A 549 -1.938 -29.036 23.169 1.00 65.01 H new ATOM 738 N GLY A 550 -3.616 -30.247 20.743 1.00 71.22 N ATOM 739 CA GLY A 550 -4.154 -31.473 20.224 1.00 73.35 C ATOM 740 C GLY A 550 -5.206 -32.034 21.146 1.00 4.44 C ATOM 741 O GLY A 550 -5.579 -33.196 21.038 1.00 40.41 O ATOM 0 H GLY A 550 -4.109 -29.402 20.453 1.00 71.22 H new ATOM 0 HA2 GLY A 550 -4.585 -31.297 19.239 1.00 73.35 H new ATOM 0 HA3 GLY A 550 -3.353 -32.200 20.095 1.00 73.35 H new ATOM 745 N GLU A 551 -5.673 -31.213 22.073 1.00 31.04 N ATOM 746 CA GLU A 551 -6.690 -31.640 23.006 1.00 14.21 C ATOM 747 C GLU A 551 -8.067 -31.398 22.392 1.00 12.33 C ATOM 748 O GLU A 551 -8.870 -32.314 22.268 1.00 21.35 O ATOM 749 CB GLU A 551 -6.544 -30.886 24.327 1.00 34.50 C ATOM 750 CG GLU A 551 -7.335 -31.493 25.477 1.00 45.24 C ATOM 751 CD GLU A 551 -7.157 -30.749 26.779 1.00 71.14 C ATOM 752 OE1 GLU A 551 -6.046 -30.243 27.057 1.00 71.53 O ATOM 753 OE2 GLU A 551 -8.127 -30.650 27.553 1.00 23.20 O ATOM 0 H GLU A 551 -5.361 -30.250 22.195 1.00 31.04 H new ATOM 0 HA GLU A 551 -6.575 -32.704 23.212 1.00 14.21 H new ATOM 0 HB2 GLU A 551 -5.490 -30.855 24.601 1.00 34.50 H new ATOM 0 HB3 GLU A 551 -6.866 -29.855 24.182 1.00 34.50 H new ATOM 0 HG2 GLU A 551 -8.393 -31.506 25.215 1.00 45.24 H new ATOM 0 HG3 GLU A 551 -7.028 -32.530 25.613 1.00 45.24 H new ATOM 760 N ASP A 552 -8.315 -30.162 21.996 1.00 73.22 N ATOM 761 CA ASP A 552 -9.579 -29.798 21.339 1.00 54.44 C ATOM 762 C ASP A 552 -9.270 -29.569 19.874 1.00 63.34 C ATOM 763 O ASP A 552 -9.984 -30.011 18.978 1.00 12.41 O ATOM 764 CB ASP A 552 -10.127 -28.507 21.942 1.00 50.34 C ATOM 765 CG ASP A 552 -11.582 -28.241 21.655 1.00 43.30 C ATOM 766 OD1 ASP A 552 -12.055 -28.450 20.537 1.00 4.11 O ATOM 767 OD2 ASP A 552 -12.292 -27.857 22.596 1.00 53.21 O ATOM 0 H ASP A 552 -7.664 -29.386 22.114 1.00 73.22 H new ATOM 0 HA ASP A 552 -10.320 -30.586 21.471 1.00 54.44 H new ATOM 0 HB2 ASP A 552 -9.985 -28.538 23.022 1.00 50.34 H new ATOM 0 HB3 ASP A 552 -9.539 -27.670 21.567 1.00 50.34 H new ATOM 772 N PHE A 553 -8.164 -28.899 19.643 1.00 11.24 N ATOM 773 CA PHE A 553 -7.665 -28.667 18.318 1.00 54.31 C ATOM 774 C PHE A 553 -6.165 -28.823 18.356 1.00 40.44 C ATOM 775 O PHE A 553 -5.539 -28.630 19.412 1.00 32.20 O ATOM 776 CB PHE A 553 -8.064 -27.271 17.759 1.00 31.11 C ATOM 777 CG PHE A 553 -7.435 -26.080 18.447 1.00 72.03 C ATOM 778 CD1 PHE A 553 -6.208 -25.589 18.024 1.00 75.44 C ATOM 779 CD2 PHE A 553 -8.068 -25.451 19.497 1.00 63.31 C ATOM 780 CE1 PHE A 553 -5.632 -24.503 18.635 1.00 23.33 C ATOM 781 CE2 PHE A 553 -7.494 -24.356 20.113 1.00 22.11 C ATOM 782 CZ PHE A 553 -6.271 -23.885 19.681 1.00 52.15 C ATOM 0 H PHE A 553 -7.584 -28.498 20.380 1.00 11.24 H new ATOM 0 HA PHE A 553 -8.113 -29.394 17.640 1.00 54.31 H new ATOM 0 HB2 PHE A 553 -7.801 -27.236 16.702 1.00 31.11 H new ATOM 0 HB3 PHE A 553 -9.148 -27.172 17.822 1.00 31.11 H new ATOM 0 HD1 PHE A 553 -5.698 -26.069 17.201 1.00 75.44 H new ATOM 0 HD2 PHE A 553 -9.023 -25.818 19.842 1.00 63.31 H new ATOM 0 HE1 PHE A 553 -4.676 -24.135 18.293 1.00 23.33 H new ATOM 0 HE2 PHE A 553 -8.002 -23.869 20.932 1.00 22.11 H new ATOM 0 HZ PHE A 553 -5.818 -23.032 20.165 1.00 52.15 H new ATOM 792 N GLU A 554 -5.598 -29.196 17.259 1.00 31.21 N ATOM 793 CA GLU A 554 -4.177 -29.376 17.151 1.00 44.52 C ATOM 794 C GLU A 554 -3.533 -27.999 16.869 1.00 22.44 C ATOM 795 O GLU A 554 -3.757 -27.395 15.809 1.00 33.02 O ATOM 796 CB GLU A 554 -3.934 -30.399 16.037 1.00 35.24 C ATOM 797 CG GLU A 554 -2.612 -31.141 16.054 1.00 61.13 C ATOM 798 CD GLU A 554 -1.427 -30.311 15.682 1.00 3.13 C ATOM 799 OE1 GLU A 554 -1.111 -30.209 14.472 1.00 43.01 O ATOM 800 OE2 GLU A 554 -0.774 -29.768 16.569 1.00 73.15 O ATOM 0 H GLU A 554 -6.108 -29.389 16.397 1.00 31.21 H new ATOM 0 HA GLU A 554 -3.723 -29.758 18.066 1.00 44.52 H new ATOM 0 HB2 GLU A 554 -4.736 -31.136 16.075 1.00 35.24 H new ATOM 0 HB3 GLU A 554 -4.020 -29.884 15.080 1.00 35.24 H new ATOM 0 HG2 GLU A 554 -2.453 -31.550 17.052 1.00 61.13 H new ATOM 0 HG3 GLU A 554 -2.676 -31.986 15.369 1.00 61.13 H new ATOM 807 N ASP A 555 -2.771 -27.522 17.842 1.00 23.54 N ATOM 808 CA ASP A 555 -2.139 -26.188 17.828 1.00 34.22 C ATOM 809 C ASP A 555 -1.069 -26.084 16.750 1.00 40.21 C ATOM 810 O ASP A 555 -0.098 -26.851 16.739 1.00 51.51 O ATOM 811 CB ASP A 555 -1.565 -25.877 19.229 1.00 43.02 C ATOM 812 CG ASP A 555 -0.621 -24.684 19.286 1.00 55.31 C ATOM 813 OD1 ASP A 555 -1.080 -23.534 19.336 1.00 34.10 O ATOM 814 OD2 ASP A 555 0.609 -24.898 19.352 1.00 51.12 O ATOM 0 H ASP A 555 -2.563 -28.054 18.687 1.00 23.54 H new ATOM 0 HA ASP A 555 -2.897 -25.444 17.584 1.00 34.22 H new ATOM 0 HB2 ASP A 555 -2.394 -25.698 19.914 1.00 43.02 H new ATOM 0 HB3 ASP A 555 -1.036 -26.758 19.592 1.00 43.02 H new ATOM 819 N THR A 556 -1.227 -25.134 15.866 1.00 61.43 N ATOM 820 CA THR A 556 -0.338 -25.007 14.759 1.00 5.05 C ATOM 821 C THR A 556 0.134 -23.566 14.614 1.00 42.33 C ATOM 822 O THR A 556 -0.609 -22.608 14.865 1.00 31.23 O ATOM 823 CB THR A 556 -0.973 -25.541 13.428 1.00 41.04 C ATOM 824 OG1 THR A 556 -0.001 -25.632 12.370 1.00 51.11 O ATOM 825 CG2 THR A 556 -2.140 -24.684 12.959 1.00 32.55 C ATOM 0 H THR A 556 -1.970 -24.436 15.899 1.00 61.43 H new ATOM 0 HA THR A 556 0.532 -25.632 14.961 1.00 5.05 H new ATOM 0 HB THR A 556 -1.345 -26.539 13.659 1.00 41.04 H new ATOM 0 HG1 THR A 556 -0.433 -25.970 11.558 1.00 51.11 H new ATOM 0 HG21 THR A 556 -2.545 -25.095 12.034 1.00 32.55 H new ATOM 0 HG22 THR A 556 -2.917 -24.677 13.724 1.00 32.55 H new ATOM 0 HG23 THR A 556 -1.795 -23.665 12.783 1.00 32.55 H new ATOM 833 N CYS A 557 1.360 -23.433 14.258 1.00 0.31 N ATOM 834 CA CYS A 557 1.985 -22.163 14.055 1.00 10.34 C ATOM 835 C CYS A 557 3.078 -22.352 13.034 1.00 70.15 C ATOM 836 O CYS A 557 3.629 -23.451 12.926 1.00 52.24 O ATOM 837 CB CYS A 557 2.545 -21.628 15.384 1.00 41.24 C ATOM 838 SG CYS A 557 3.692 -22.753 16.229 1.00 71.32 S ATOM 0 H CYS A 557 1.981 -24.225 14.093 1.00 0.31 H new ATOM 0 HA CYS A 557 1.266 -21.429 13.692 1.00 10.34 H new ATOM 0 HB2 CYS A 557 3.056 -20.684 15.194 1.00 41.24 H new ATOM 0 HB3 CYS A 557 1.712 -21.410 16.052 1.00 41.24 H new ATOM 0 HG CYS A 557 4.104 -22.204 17.333 1.00 71.32 H new ATOM 844 N GLY A 558 3.374 -21.346 12.271 1.00 5.54 N ATOM 845 CA GLY A 558 4.367 -21.478 11.255 1.00 14.55 C ATOM 846 C GLY A 558 4.395 -20.259 10.413 1.00 24.41 C ATOM 847 O GLY A 558 3.833 -19.236 10.804 1.00 70.13 O ATOM 0 H GLY A 558 2.941 -20.425 12.334 1.00 5.54 H new ATOM 0 HA2 GLY A 558 5.345 -21.639 11.709 1.00 14.55 H new ATOM 0 HA3 GLY A 558 4.154 -22.351 10.638 1.00 14.55 H new ATOM 851 N GLU A 559 5.007 -20.346 9.269 1.00 23.44 N ATOM 852 CA GLU A 559 5.140 -19.214 8.396 1.00 70.40 C ATOM 853 C GLU A 559 4.780 -19.581 6.962 1.00 64.40 C ATOM 854 O GLU A 559 5.313 -20.542 6.404 1.00 2.20 O ATOM 855 CB GLU A 559 6.560 -18.679 8.468 1.00 73.22 C ATOM 856 CG GLU A 559 6.965 -18.120 9.822 1.00 5.14 C ATOM 857 CD GLU A 559 8.390 -17.635 9.856 1.00 52.33 C ATOM 858 OE1 GLU A 559 9.295 -18.435 10.201 1.00 23.55 O ATOM 859 OE2 GLU A 559 8.642 -16.444 9.581 1.00 35.34 O ATOM 0 H GLU A 559 5.429 -21.204 8.913 1.00 23.44 H new ATOM 0 HA GLU A 559 4.447 -18.439 8.723 1.00 70.40 H new ATOM 0 HB2 GLU A 559 7.249 -19.481 8.201 1.00 73.22 H new ATOM 0 HB3 GLU A 559 6.676 -17.896 7.718 1.00 73.22 H new ATOM 0 HG2 GLU A 559 6.300 -17.296 10.082 1.00 5.14 H new ATOM 0 HG3 GLU A 559 6.831 -18.890 10.582 1.00 5.14 H new ATOM 866 N LEU A 560 3.899 -18.805 6.381 1.00 61.41 N ATOM 867 CA LEU A 560 3.429 -19.005 5.024 1.00 55.24 C ATOM 868 C LEU A 560 4.323 -18.259 4.077 1.00 23.21 C ATOM 869 O LEU A 560 4.759 -17.139 4.383 1.00 71.32 O ATOM 870 CB LEU A 560 2.012 -18.463 4.871 1.00 53.02 C ATOM 871 CG LEU A 560 0.927 -19.123 5.706 1.00 52.30 C ATOM 872 CD1 LEU A 560 -0.380 -18.382 5.542 1.00 2.31 C ATOM 873 CD2 LEU A 560 0.763 -20.586 5.321 1.00 41.34 C ATOM 0 H LEU A 560 3.477 -18.000 6.843 1.00 61.41 H new ATOM 0 HA LEU A 560 3.439 -20.072 4.804 1.00 55.24 H new ATOM 0 HB2 LEU A 560 2.028 -17.401 5.114 1.00 53.02 H new ATOM 0 HB3 LEU A 560 1.729 -18.546 3.822 1.00 53.02 H new ATOM 0 HG LEU A 560 1.225 -19.081 6.754 1.00 52.30 H new ATOM 0 HD11 LEU A 560 -1.150 -18.864 6.145 1.00 2.31 H new ATOM 0 HD12 LEU A 560 -0.256 -17.350 5.869 1.00 2.31 H new ATOM 0 HD13 LEU A 560 -0.678 -18.397 4.494 1.00 2.31 H new ATOM 0 HD21 LEU A 560 -0.019 -21.038 5.932 1.00 41.34 H new ATOM 0 HD22 LEU A 560 0.488 -20.657 4.269 1.00 41.34 H new ATOM 0 HD23 LEU A 560 1.703 -21.113 5.486 1.00 41.34 H new ATOM 885 N GLU A 561 4.596 -18.849 2.950 1.00 71.05 N ATOM 886 CA GLU A 561 5.437 -18.216 1.982 1.00 42.53 C ATOM 887 C GLU A 561 4.618 -17.652 0.843 1.00 52.31 C ATOM 888 O GLU A 561 3.923 -18.382 0.130 1.00 43.13 O ATOM 889 CB GLU A 561 6.473 -19.177 1.433 1.00 34.30 C ATOM 890 CG GLU A 561 7.542 -18.474 0.612 1.00 62.45 C ATOM 891 CD GLU A 561 8.543 -19.409 -0.003 1.00 5.02 C ATOM 892 OE1 GLU A 561 8.276 -19.978 -1.075 1.00 2.45 O ATOM 893 OE2 GLU A 561 9.627 -19.586 0.581 1.00 30.20 O ATOM 0 H GLU A 561 4.247 -19.769 2.680 1.00 71.05 H new ATOM 0 HA GLU A 561 5.954 -17.402 2.490 1.00 42.53 H new ATOM 0 HB2 GLU A 561 6.945 -19.708 2.259 1.00 34.30 H new ATOM 0 HB3 GLU A 561 5.978 -19.925 0.814 1.00 34.30 H new ATOM 0 HG2 GLU A 561 7.061 -17.900 -0.179 1.00 62.45 H new ATOM 0 HG3 GLU A 561 8.067 -17.762 1.249 1.00 62.45 H new ATOM 900 N PHE A 562 4.690 -16.368 0.687 1.00 34.33 N ATOM 901 CA PHE A 562 4.038 -15.693 -0.389 1.00 10.00 C ATOM 902 C PHE A 562 5.089 -15.053 -1.271 1.00 10.53 C ATOM 903 O PHE A 562 6.147 -14.647 -0.797 1.00 61.45 O ATOM 904 CB PHE A 562 3.097 -14.619 0.133 1.00 73.33 C ATOM 905 CG PHE A 562 1.911 -15.110 0.906 1.00 23.33 C ATOM 906 CD1 PHE A 562 0.765 -15.504 0.250 1.00 20.02 C ATOM 907 CD2 PHE A 562 1.925 -15.131 2.285 1.00 11.42 C ATOM 908 CE1 PHE A 562 -0.345 -15.912 0.952 1.00 1.21 C ATOM 909 CE2 PHE A 562 0.818 -15.548 2.993 1.00 42.24 C ATOM 910 CZ PHE A 562 -0.319 -15.933 2.327 1.00 20.03 C ATOM 0 H PHE A 562 5.210 -15.752 1.311 1.00 34.33 H new ATOM 0 HA PHE A 562 3.452 -16.416 -0.956 1.00 10.00 H new ATOM 0 HB2 PHE A 562 3.667 -13.942 0.769 1.00 73.33 H new ATOM 0 HB3 PHE A 562 2.738 -14.034 -0.714 1.00 73.33 H new ATOM 0 HD1 PHE A 562 0.738 -15.492 -0.830 1.00 20.02 H new ATOM 0 HD2 PHE A 562 2.812 -14.818 2.815 1.00 11.42 H new ATOM 0 HE1 PHE A 562 -1.237 -16.216 0.424 1.00 1.21 H new ATOM 0 HE2 PHE A 562 0.845 -15.572 4.072 1.00 42.24 H new ATOM 0 HZ PHE A 562 -1.190 -16.251 2.881 1.00 20.03 H new ATOM 920 N GLN A 563 4.816 -14.953 -2.530 1.00 51.35 N ATOM 921 CA GLN A 563 5.747 -14.375 -3.479 1.00 3.42 C ATOM 922 C GLN A 563 4.978 -13.547 -4.470 1.00 2.34 C ATOM 923 O GLN A 563 3.756 -13.423 -4.345 1.00 15.45 O ATOM 924 CB GLN A 563 6.545 -15.441 -4.207 1.00 24.41 C ATOM 925 CG GLN A 563 7.397 -16.318 -3.315 1.00 33.11 C ATOM 926 CD GLN A 563 8.318 -17.208 -4.092 1.00 44.45 C ATOM 927 OE1 GLN A 563 7.980 -18.340 -4.439 1.00 53.13 O ATOM 928 NE2 GLN A 563 9.468 -16.695 -4.410 1.00 13.12 N ATOM 0 H GLN A 563 3.939 -15.268 -2.945 1.00 51.35 H new ATOM 0 HA GLN A 563 6.456 -13.754 -2.932 1.00 3.42 H new ATOM 0 HB2 GLN A 563 5.854 -16.075 -4.763 1.00 24.41 H new ATOM 0 HB3 GLN A 563 7.191 -14.955 -4.938 1.00 24.41 H new ATOM 0 HG2 GLN A 563 7.984 -15.688 -2.647 1.00 33.11 H new ATOM 0 HG3 GLN A 563 6.749 -16.931 -2.688 1.00 33.11 H new ATOM 0 HE21 GLN A 563 9.709 -15.753 -4.102 1.00 13.12 H new ATOM 0 HE22 GLN A 563 10.130 -17.234 -4.968 1.00 13.12 H new ATOM 937 N ASN A 564 5.656 -12.958 -5.425 1.00 20.34 N ATOM 938 CA ASN A 564 4.978 -12.126 -6.412 1.00 25.31 C ATOM 939 C ASN A 564 4.160 -12.982 -7.361 1.00 1.53 C ATOM 940 O ASN A 564 3.060 -12.598 -7.775 1.00 74.32 O ATOM 941 CB ASN A 564 5.950 -11.196 -7.179 1.00 3.42 C ATOM 942 CG ASN A 564 6.977 -11.919 -8.027 1.00 22.21 C ATOM 943 OD1 ASN A 564 8.066 -12.249 -7.560 1.00 53.25 O ATOM 944 ND2 ASN A 564 6.662 -12.139 -9.271 1.00 41.53 N ATOM 0 H ASN A 564 6.666 -13.032 -5.547 1.00 20.34 H new ATOM 0 HA ASN A 564 4.299 -11.470 -5.867 1.00 25.31 H new ATOM 0 HB2 ASN A 564 5.368 -10.535 -7.821 1.00 3.42 H new ATOM 0 HB3 ASN A 564 6.472 -10.565 -6.460 1.00 3.42 H new ATOM 0 HD21 ASN A 564 7.328 -12.599 -9.892 1.00 41.53 H new ATOM 0 HD22 ASN A 564 5.749 -11.852 -9.624 1.00 41.53 H new ATOM 951 N ASP A 565 4.676 -14.147 -7.679 1.00 75.32 N ATOM 952 CA ASP A 565 3.963 -15.072 -8.547 1.00 12.01 C ATOM 953 C ASP A 565 2.901 -15.819 -7.757 1.00 3.34 C ATOM 954 O ASP A 565 1.784 -16.032 -8.237 1.00 1.55 O ATOM 955 CB ASP A 565 4.912 -16.065 -9.218 1.00 54.31 C ATOM 956 CG ASP A 565 4.204 -16.951 -10.217 1.00 2.23 C ATOM 957 OD1 ASP A 565 4.001 -16.511 -11.366 1.00 51.34 O ATOM 958 OD2 ASP A 565 3.833 -18.094 -9.878 1.00 30.34 O ATOM 0 H ASP A 565 5.583 -14.481 -7.354 1.00 75.32 H new ATOM 0 HA ASP A 565 3.485 -14.486 -9.332 1.00 12.01 H new ATOM 0 HB2 ASP A 565 5.709 -15.518 -9.722 1.00 54.31 H new ATOM 0 HB3 ASP A 565 5.383 -16.685 -8.456 1.00 54.31 H new ATOM 963 N GLU A 566 3.249 -16.181 -6.535 1.00 71.40 N ATOM 964 CA GLU A 566 2.365 -16.893 -5.630 1.00 73.12 C ATOM 965 C GLU A 566 1.143 -16.063 -5.267 1.00 72.20 C ATOM 966 O GLU A 566 1.197 -14.824 -5.238 1.00 43.04 O ATOM 967 CB GLU A 566 3.107 -17.230 -4.362 1.00 22.24 C ATOM 968 CG GLU A 566 4.218 -18.238 -4.512 1.00 52.44 C ATOM 969 CD GLU A 566 3.722 -19.566 -4.987 1.00 3.50 C ATOM 970 OE1 GLU A 566 2.951 -20.211 -4.268 1.00 64.31 O ATOM 971 OE2 GLU A 566 4.130 -20.008 -6.063 1.00 55.23 O ATOM 0 H GLU A 566 4.168 -15.985 -6.138 1.00 71.40 H new ATOM 0 HA GLU A 566 2.033 -17.798 -6.139 1.00 73.12 H new ATOM 0 HB2 GLU A 566 3.526 -16.311 -3.951 1.00 22.24 H new ATOM 0 HB3 GLU A 566 2.392 -17.609 -3.632 1.00 22.24 H new ATOM 0 HG2 GLU A 566 4.958 -17.857 -5.215 1.00 52.44 H new ATOM 0 HG3 GLU A 566 4.723 -18.363 -3.554 1.00 52.44 H new ATOM 978 N ILE A 567 0.067 -16.733 -4.968 1.00 2.30 N ATOM 979 CA ILE A 567 -1.157 -16.070 -4.626 1.00 63.44 C ATOM 980 C ILE A 567 -1.596 -16.309 -3.176 1.00 25.43 C ATOM 981 O ILE A 567 -1.151 -15.611 -2.277 1.00 31.24 O ATOM 982 CB ILE A 567 -2.309 -16.359 -5.630 1.00 12.15 C ATOM 983 CG1 ILE A 567 -2.329 -17.850 -6.046 1.00 22.51 C ATOM 984 CG2 ILE A 567 -2.187 -15.454 -6.849 1.00 12.01 C ATOM 985 CD1 ILE A 567 -3.555 -18.249 -6.818 1.00 4.42 C ATOM 0 H ILE A 567 0.014 -17.752 -4.955 1.00 2.30 H new ATOM 0 HA ILE A 567 -0.928 -15.007 -4.707 1.00 63.44 H new ATOM 0 HB ILE A 567 -3.256 -16.144 -5.134 1.00 12.15 H new ATOM 0 HG12 ILE A 567 -1.446 -18.061 -6.650 1.00 22.51 H new ATOM 0 HG13 ILE A 567 -2.258 -18.468 -5.151 1.00 22.51 H new ATOM 0 HG21 ILE A 567 -3.000 -15.667 -7.543 1.00 12.01 H new ATOM 0 HG22 ILE A 567 -2.242 -14.412 -6.535 1.00 12.01 H new ATOM 0 HG23 ILE A 567 -1.232 -15.635 -7.342 1.00 12.01 H new ATOM 0 HD11 ILE A 567 -3.496 -19.307 -7.073 1.00 4.42 H new ATOM 0 HD12 ILE A 567 -4.442 -18.072 -6.210 1.00 4.42 H new ATOM 0 HD13 ILE A 567 -3.618 -17.658 -7.732 1.00 4.42 H new ATOM 997 N VAL A 568 -2.405 -17.314 -2.954 1.00 3.04 N ATOM 998 CA VAL A 568 -2.984 -17.560 -1.654 1.00 72.15 C ATOM 999 C VAL A 568 -2.356 -18.786 -0.988 1.00 12.31 C ATOM 1000 O VAL A 568 -1.937 -19.727 -1.663 1.00 5.14 O ATOM 1001 CB VAL A 568 -4.534 -17.743 -1.785 1.00 42.34 C ATOM 1002 CG1 VAL A 568 -4.906 -18.939 -2.650 1.00 0.04 C ATOM 1003 CG2 VAL A 568 -5.220 -17.835 -0.440 1.00 61.23 C ATOM 0 H VAL A 568 -2.682 -17.986 -3.669 1.00 3.04 H new ATOM 0 HA VAL A 568 -2.778 -16.697 -1.021 1.00 72.15 H new ATOM 0 HB VAL A 568 -4.894 -16.843 -2.284 1.00 42.34 H new ATOM 0 HG11 VAL A 568 -5.991 -19.022 -2.709 1.00 0.04 H new ATOM 0 HG12 VAL A 568 -4.497 -18.805 -3.652 1.00 0.04 H new ATOM 0 HG13 VAL A 568 -4.496 -19.848 -2.210 1.00 0.04 H new ATOM 0 HG21 VAL A 568 -6.293 -17.961 -0.587 1.00 61.23 H new ATOM 0 HG22 VAL A 568 -4.826 -18.689 0.112 1.00 61.23 H new ATOM 0 HG23 VAL A 568 -5.036 -16.921 0.125 1.00 61.23 H new ATOM 1013 N LYS A 569 -2.253 -18.738 0.311 1.00 34.31 N ATOM 1014 CA LYS A 569 -1.821 -19.859 1.109 1.00 31.24 C ATOM 1015 C LYS A 569 -2.960 -20.305 1.994 1.00 64.24 C ATOM 1016 O LYS A 569 -3.943 -19.570 2.175 1.00 73.14 O ATOM 1017 CB LYS A 569 -0.639 -19.478 1.982 1.00 3.41 C ATOM 1018 CG LYS A 569 0.684 -19.298 1.260 1.00 21.22 C ATOM 1019 CD LYS A 569 1.579 -20.528 1.335 1.00 13.33 C ATOM 1020 CE LYS A 569 1.017 -21.722 0.572 1.00 22.45 C ATOM 1021 NZ LYS A 569 1.882 -22.917 0.699 1.00 1.11 N ATOM 0 H LYS A 569 -2.470 -17.905 0.858 1.00 34.31 H new ATOM 0 HA LYS A 569 -1.518 -20.665 0.440 1.00 31.24 H new ATOM 0 HB2 LYS A 569 -0.878 -18.549 2.500 1.00 3.41 H new ATOM 0 HB3 LYS A 569 -0.513 -20.245 2.746 1.00 3.41 H new ATOM 0 HG2 LYS A 569 0.491 -19.060 0.214 1.00 21.22 H new ATOM 0 HG3 LYS A 569 1.212 -18.446 1.688 1.00 21.22 H new ATOM 0 HD2 LYS A 569 2.563 -20.280 0.936 1.00 13.33 H new ATOM 0 HD3 LYS A 569 1.719 -20.805 2.380 1.00 13.33 H new ATOM 0 HE2 LYS A 569 0.020 -21.955 0.946 1.00 22.45 H new ATOM 0 HE3 LYS A 569 0.910 -21.462 -0.481 1.00 22.45 H new ATOM 0 HZ1 LYS A 569 1.464 -23.706 0.166 1.00 1.11 H new ATOM 0 HZ2 LYS A 569 2.826 -22.704 0.319 1.00 1.11 H new ATOM 0 HZ3 LYS A 569 1.964 -23.181 1.701 1.00 1.11 H new ATOM 1035 N THR A 570 -2.828 -21.472 2.545 1.00 22.31 N ATOM 1036 CA THR A 570 -3.838 -22.027 3.418 1.00 40.31 C ATOM 1037 C THR A 570 -3.244 -22.565 4.710 1.00 4.13 C ATOM 1038 O THR A 570 -2.148 -23.129 4.714 1.00 41.02 O ATOM 1039 CB THR A 570 -4.623 -23.154 2.722 1.00 13.53 C ATOM 1040 OG1 THR A 570 -3.752 -23.888 1.845 1.00 0.03 O ATOM 1041 CG2 THR A 570 -5.842 -22.637 1.967 1.00 51.11 C ATOM 0 H THR A 570 -2.017 -22.075 2.407 1.00 22.31 H new ATOM 0 HA THR A 570 -4.515 -21.207 3.659 1.00 40.31 H new ATOM 0 HB THR A 570 -4.999 -23.820 3.499 1.00 13.53 H new ATOM 0 HG1 THR A 570 -4.257 -24.604 1.407 1.00 0.03 H new ATOM 0 HG21 THR A 570 -6.359 -23.473 1.495 1.00 51.11 H new ATOM 0 HG22 THR A 570 -6.517 -22.139 2.663 1.00 51.11 H new ATOM 0 HG23 THR A 570 -5.523 -21.929 1.202 1.00 51.11 H new ATOM 1049 N ILE A 571 -3.934 -22.343 5.797 1.00 73.41 N ATOM 1050 CA ILE A 571 -3.553 -22.930 7.060 1.00 61.02 C ATOM 1051 C ILE A 571 -4.350 -24.201 7.238 1.00 11.51 C ATOM 1052 O ILE A 571 -5.574 -24.159 7.187 1.00 53.42 O ATOM 1053 CB ILE A 571 -3.815 -21.999 8.306 1.00 14.21 C ATOM 1054 CG1 ILE A 571 -2.929 -20.755 8.313 1.00 22.23 C ATOM 1055 CG2 ILE A 571 -3.608 -22.753 9.607 1.00 55.13 C ATOM 1056 CD1 ILE A 571 -3.278 -19.711 7.307 1.00 1.54 C ATOM 0 H ILE A 571 -4.768 -21.757 5.836 1.00 73.41 H new ATOM 0 HA ILE A 571 -2.478 -23.105 7.023 1.00 61.02 H new ATOM 0 HB ILE A 571 -4.853 -21.678 8.222 1.00 14.21 H new ATOM 0 HG12 ILE A 571 -2.971 -20.306 9.306 1.00 22.23 H new ATOM 0 HG13 ILE A 571 -1.897 -21.064 8.146 1.00 22.23 H new ATOM 0 HG21 ILE A 571 -3.796 -22.086 10.448 1.00 55.13 H new ATOM 0 HG22 ILE A 571 -4.297 -23.596 9.652 1.00 55.13 H new ATOM 0 HG23 ILE A 571 -2.583 -23.119 9.656 1.00 55.13 H new ATOM 0 HD11 ILE A 571 -2.587 -18.873 7.398 1.00 1.54 H new ATOM 0 HD12 ILE A 571 -3.206 -20.133 6.305 1.00 1.54 H new ATOM 0 HD13 ILE A 571 -4.296 -19.363 7.482 1.00 1.54 H new ATOM 1068 N SER A 572 -3.663 -25.302 7.378 1.00 62.24 N ATOM 1069 CA SER A 572 -4.284 -26.581 7.637 1.00 15.54 C ATOM 1070 C SER A 572 -4.252 -26.855 9.138 1.00 42.31 C ATOM 1071 O SER A 572 -3.179 -26.897 9.740 1.00 61.15 O ATOM 1072 CB SER A 572 -3.538 -27.685 6.877 1.00 64.31 C ATOM 1073 OG SER A 572 -3.610 -27.471 5.467 1.00 62.32 O ATOM 0 H SER A 572 -2.646 -25.341 7.316 1.00 62.24 H new ATOM 0 HA SER A 572 -5.319 -26.565 7.296 1.00 15.54 H new ATOM 0 HB2 SER A 572 -2.495 -27.708 7.193 1.00 64.31 H new ATOM 0 HB3 SER A 572 -3.967 -28.656 7.124 1.00 64.31 H new ATOM 0 HG SER A 572 -4.273 -28.079 5.077 1.00 62.32 H new ATOM 1079 N VAL A 573 -5.410 -26.971 9.747 1.00 4.23 N ATOM 1080 CA VAL A 573 -5.508 -27.258 11.177 1.00 32.23 C ATOM 1081 C VAL A 573 -6.243 -28.561 11.400 1.00 12.11 C ATOM 1082 O VAL A 573 -7.286 -28.802 10.786 1.00 71.14 O ATOM 1083 CB VAL A 573 -6.249 -26.121 11.954 1.00 15.32 C ATOM 1084 CG1 VAL A 573 -6.457 -26.464 13.424 1.00 4.34 C ATOM 1085 CG2 VAL A 573 -5.508 -24.815 11.837 1.00 40.33 C ATOM 0 H VAL A 573 -6.310 -26.872 9.277 1.00 4.23 H new ATOM 0 HA VAL A 573 -4.489 -27.329 11.558 1.00 32.23 H new ATOM 0 HB VAL A 573 -7.231 -26.020 11.492 1.00 15.32 H new ATOM 0 HG11 VAL A 573 -6.975 -25.643 13.919 1.00 4.34 H new ATOM 0 HG12 VAL A 573 -7.055 -27.372 13.505 1.00 4.34 H new ATOM 0 HG13 VAL A 573 -5.490 -26.623 13.901 1.00 4.34 H new ATOM 0 HG21 VAL A 573 -6.045 -24.042 12.386 1.00 40.33 H new ATOM 0 HG22 VAL A 573 -4.507 -24.926 12.253 1.00 40.33 H new ATOM 0 HG23 VAL A 573 -5.436 -24.531 10.787 1.00 40.33 H new ATOM 1095 N LYS A 574 -5.691 -29.393 12.252 1.00 51.31 N ATOM 1096 CA LYS A 574 -6.314 -30.626 12.639 1.00 65.15 C ATOM 1097 C LYS A 574 -7.259 -30.370 13.800 1.00 54.20 C ATOM 1098 O LYS A 574 -6.853 -29.866 14.855 1.00 55.22 O ATOM 1099 CB LYS A 574 -5.237 -31.661 13.001 1.00 64.14 C ATOM 1100 CG LYS A 574 -5.734 -32.954 13.645 1.00 63.32 C ATOM 1101 CD LYS A 574 -6.703 -33.718 12.769 1.00 51.42 C ATOM 1102 CE LYS A 574 -7.120 -35.019 13.424 1.00 51.31 C ATOM 1103 NZ LYS A 574 -5.983 -35.965 13.565 1.00 20.13 N ATOM 0 H LYS A 574 -4.788 -29.227 12.697 1.00 51.31 H new ATOM 0 HA LYS A 574 -6.896 -31.029 11.810 1.00 65.15 H new ATOM 0 HB2 LYS A 574 -4.690 -31.918 12.094 1.00 64.14 H new ATOM 0 HB3 LYS A 574 -4.525 -31.192 13.680 1.00 64.14 H new ATOM 0 HG2 LYS A 574 -4.880 -33.591 13.873 1.00 63.32 H new ATOM 0 HG3 LYS A 574 -6.218 -32.718 14.593 1.00 63.32 H new ATOM 0 HD2 LYS A 574 -7.584 -33.106 12.576 1.00 51.42 H new ATOM 0 HD3 LYS A 574 -6.240 -33.925 11.804 1.00 51.42 H new ATOM 0 HE2 LYS A 574 -7.541 -34.810 14.407 1.00 51.31 H new ATOM 0 HE3 LYS A 574 -7.908 -35.486 12.833 1.00 51.31 H new ATOM 0 HZ1 LYS A 574 -6.348 -36.920 13.758 1.00 20.13 H new ATOM 0 HZ2 LYS A 574 -5.430 -35.977 12.684 1.00 20.13 H new ATOM 0 HZ3 LYS A 574 -5.374 -35.661 14.351 1.00 20.13 H new ATOM 1117 N VAL A 575 -8.504 -30.678 13.598 1.00 5.41 N ATOM 1118 CA VAL A 575 -9.494 -30.497 14.619 1.00 64.13 C ATOM 1119 C VAL A 575 -9.670 -31.823 15.335 1.00 4.50 C ATOM 1120 O VAL A 575 -9.865 -32.865 14.692 1.00 14.54 O ATOM 1121 CB VAL A 575 -10.845 -30.013 14.033 1.00 52.31 C ATOM 1122 CG1 VAL A 575 -11.822 -29.688 15.148 1.00 62.30 C ATOM 1123 CG2 VAL A 575 -10.644 -28.800 13.126 1.00 4.33 C ATOM 0 H VAL A 575 -8.863 -31.061 12.724 1.00 5.41 H new ATOM 0 HA VAL A 575 -9.161 -29.725 15.313 1.00 64.13 H new ATOM 0 HB VAL A 575 -11.262 -30.820 13.431 1.00 52.31 H new ATOM 0 HG11 VAL A 575 -12.765 -29.350 14.718 1.00 62.30 H new ATOM 0 HG12 VAL A 575 -11.997 -30.580 15.750 1.00 62.30 H new ATOM 0 HG13 VAL A 575 -11.407 -28.901 15.777 1.00 62.30 H new ATOM 0 HG21 VAL A 575 -11.607 -28.480 12.728 1.00 4.33 H new ATOM 0 HG22 VAL A 575 -10.200 -27.986 13.700 1.00 4.33 H new ATOM 0 HG23 VAL A 575 -9.981 -29.067 12.303 1.00 4.33 H new ATOM 1133 N ILE A 576 -9.560 -31.798 16.636 1.00 54.42 N ATOM 1134 CA ILE A 576 -9.610 -33.005 17.426 1.00 41.22 C ATOM 1135 C ILE A 576 -11.070 -33.351 17.773 1.00 64.25 C ATOM 1136 O ILE A 576 -11.918 -32.465 17.909 1.00 45.03 O ATOM 1137 CB ILE A 576 -8.742 -32.845 18.716 1.00 62.21 C ATOM 1138 CG1 ILE A 576 -7.331 -32.345 18.354 1.00 33.14 C ATOM 1139 CG2 ILE A 576 -8.639 -34.144 19.504 1.00 2.25 C ATOM 1140 CD1 ILE A 576 -6.521 -33.276 17.472 1.00 54.01 C ATOM 0 H ILE A 576 -9.433 -30.944 17.180 1.00 54.42 H new ATOM 0 HA ILE A 576 -9.197 -33.829 16.845 1.00 41.22 H new ATOM 0 HB ILE A 576 -9.241 -32.111 19.348 1.00 62.21 H new ATOM 0 HG12 ILE A 576 -7.422 -31.382 17.851 1.00 33.14 H new ATOM 0 HG13 ILE A 576 -6.777 -32.171 19.276 1.00 33.14 H new ATOM 0 HG21 ILE A 576 -8.027 -33.984 20.391 1.00 2.25 H new ATOM 0 HG22 ILE A 576 -9.636 -34.467 19.805 1.00 2.25 H new ATOM 0 HG23 ILE A 576 -8.181 -34.912 18.881 1.00 2.25 H new ATOM 0 HD11 ILE A 576 -5.545 -32.833 17.275 1.00 54.01 H new ATOM 0 HD12 ILE A 576 -6.390 -34.233 17.977 1.00 54.01 H new ATOM 0 HD13 ILE A 576 -7.045 -33.432 16.529 1.00 54.01 H new ATOM 1278 N LYS A 585 -17.274 -24.426 20.953 1.00 64.44 N ATOM 1279 CA LYS A 585 -16.022 -23.778 21.197 1.00 72.32 C ATOM 1280 C LYS A 585 -15.385 -23.269 19.937 1.00 24.41 C ATOM 1281 O LYS A 585 -15.729 -23.682 18.831 1.00 2.02 O ATOM 1282 CB LYS A 585 -15.069 -24.642 22.066 1.00 51.22 C ATOM 1283 CG LYS A 585 -15.272 -26.160 21.983 1.00 11.02 C ATOM 1284 CD LYS A 585 -15.058 -26.736 20.593 1.00 4.21 C ATOM 1285 CE LYS A 585 -15.427 -28.215 20.565 1.00 4.11 C ATOM 1286 NZ LYS A 585 -14.600 -29.007 21.483 1.00 34.13 N ATOM 0 HA LYS A 585 -16.238 -22.891 21.793 1.00 72.32 H new ATOM 0 HB2 LYS A 585 -14.042 -24.417 21.777 1.00 51.22 H new ATOM 0 HB3 LYS A 585 -15.182 -24.337 23.106 1.00 51.22 H new ATOM 0 HG2 LYS A 585 -14.586 -26.647 22.677 1.00 11.02 H new ATOM 0 HG3 LYS A 585 -16.283 -26.400 22.313 1.00 11.02 H new ATOM 0 HD2 LYS A 585 -15.664 -26.190 19.870 1.00 4.21 H new ATOM 0 HD3 LYS A 585 -14.017 -26.609 20.297 1.00 4.21 H new ATOM 0 HE2 LYS A 585 -16.477 -28.331 20.832 1.00 4.11 H new ATOM 0 HE3 LYS A 585 -15.311 -28.598 19.551 1.00 4.11 H new ATOM 0 HZ1 LYS A 585 -14.041 -29.696 20.940 1.00 34.13 H new ATOM 0 HZ2 LYS A 585 -13.959 -28.376 22.005 1.00 34.13 H new ATOM 0 HZ3 LYS A 585 -15.213 -29.511 22.155 1.00 34.13 H new ATOM 1300 N THR A 586 -14.468 -22.380 20.101 1.00 20.14 N ATOM 1301 CA THR A 586 -13.870 -21.703 19.013 1.00 14.23 C ATOM 1302 C THR A 586 -12.470 -21.261 19.413 1.00 45.20 C ATOM 1303 O THR A 586 -12.171 -21.118 20.606 1.00 70.24 O ATOM 1304 CB THR A 586 -14.777 -20.478 18.596 1.00 52.31 C ATOM 1305 OG1 THR A 586 -14.197 -19.701 17.556 1.00 43.14 O ATOM 1306 CG2 THR A 586 -15.095 -19.579 19.779 1.00 70.21 C ATOM 0 H THR A 586 -14.109 -22.101 21.014 1.00 20.14 H new ATOM 0 HA THR A 586 -13.784 -22.363 18.150 1.00 14.23 H new ATOM 0 HB THR A 586 -15.704 -20.913 18.223 1.00 52.31 H new ATOM 0 HG1 THR A 586 -13.517 -20.232 17.091 1.00 43.14 H new ATOM 0 HG21 THR A 586 -15.720 -18.750 19.448 1.00 70.21 H new ATOM 0 HG22 THR A 586 -15.625 -20.152 20.539 1.00 70.21 H new ATOM 0 HG23 THR A 586 -14.168 -19.189 20.199 1.00 70.21 H new ATOM 1314 N PHE A 587 -11.616 -21.126 18.445 1.00 11.30 N ATOM 1315 CA PHE A 587 -10.290 -20.645 18.659 1.00 41.13 C ATOM 1316 C PHE A 587 -10.022 -19.603 17.616 1.00 2.44 C ATOM 1317 O PHE A 587 -10.779 -19.489 16.652 1.00 42.11 O ATOM 1318 CB PHE A 587 -9.249 -21.776 18.613 1.00 3.40 C ATOM 1319 CG PHE A 587 -9.091 -22.479 17.290 1.00 61.35 C ATOM 1320 CD1 PHE A 587 -9.954 -23.490 16.915 1.00 25.42 C ATOM 1321 CD2 PHE A 587 -8.050 -22.147 16.440 1.00 45.44 C ATOM 1322 CE1 PHE A 587 -9.779 -24.154 15.718 1.00 41.15 C ATOM 1323 CE2 PHE A 587 -7.877 -22.802 15.242 1.00 74.22 C ATOM 1324 CZ PHE A 587 -8.741 -23.808 14.882 1.00 70.44 C ATOM 0 H PHE A 587 -11.825 -21.350 17.472 1.00 11.30 H new ATOM 0 HA PHE A 587 -10.206 -20.215 19.657 1.00 41.13 H new ATOM 0 HB2 PHE A 587 -8.282 -21.364 18.900 1.00 3.40 H new ATOM 0 HB3 PHE A 587 -9.515 -22.518 19.366 1.00 3.40 H new ATOM 0 HD1 PHE A 587 -10.773 -23.763 17.564 1.00 25.42 H new ATOM 0 HD2 PHE A 587 -7.363 -21.362 16.721 1.00 45.44 H new ATOM 0 HE1 PHE A 587 -10.457 -24.946 15.437 1.00 41.15 H new ATOM 0 HE2 PHE A 587 -7.064 -22.526 14.587 1.00 74.22 H new ATOM 0 HZ PHE A 587 -8.606 -24.327 13.944 1.00 70.44 H new ATOM 1334 N PHE A 588 -8.976 -18.879 17.762 1.00 23.21 N ATOM 1335 CA PHE A 588 -8.732 -17.791 16.877 1.00 12.23 C ATOM 1336 C PHE A 588 -7.454 -18.034 16.126 1.00 74.03 C ATOM 1337 O PHE A 588 -6.581 -18.746 16.599 1.00 31.21 O ATOM 1338 CB PHE A 588 -8.700 -16.455 17.656 1.00 61.40 C ATOM 1339 CG PHE A 588 -9.971 -16.174 18.429 1.00 45.11 C ATOM 1340 CD1 PHE A 588 -10.170 -16.711 19.704 1.00 42.25 C ATOM 1341 CD2 PHE A 588 -10.964 -15.388 17.880 1.00 54.34 C ATOM 1342 CE1 PHE A 588 -11.338 -16.464 20.401 1.00 43.14 C ATOM 1343 CE2 PHE A 588 -12.130 -15.135 18.576 1.00 74.02 C ATOM 1344 CZ PHE A 588 -12.319 -15.674 19.836 1.00 23.11 C ATOM 0 H PHE A 588 -8.270 -19.016 18.486 1.00 23.21 H new ATOM 0 HA PHE A 588 -9.543 -17.719 16.152 1.00 12.23 H new ATOM 0 HB2 PHE A 588 -7.859 -16.468 18.349 1.00 61.40 H new ATOM 0 HB3 PHE A 588 -8.523 -15.639 16.955 1.00 61.40 H new ATOM 0 HD1 PHE A 588 -9.402 -17.326 20.150 1.00 42.25 H new ATOM 0 HD2 PHE A 588 -10.828 -14.966 16.895 1.00 54.34 H new ATOM 0 HE1 PHE A 588 -11.482 -16.888 21.384 1.00 43.14 H new ATOM 0 HE2 PHE A 588 -12.896 -14.515 18.135 1.00 74.02 H new ATOM 0 HZ PHE A 588 -13.233 -15.477 20.377 1.00 23.11 H new ATOM 1354 N LEU A 589 -7.367 -17.512 14.954 1.00 52.25 N ATOM 1355 CA LEU A 589 -6.183 -17.644 14.160 1.00 53.22 C ATOM 1356 C LEU A 589 -5.707 -16.244 13.871 1.00 31.53 C ATOM 1357 O LEU A 589 -6.496 -15.403 13.444 1.00 23.12 O ATOM 1358 CB LEU A 589 -6.514 -18.356 12.830 1.00 35.31 C ATOM 1359 CG LEU A 589 -5.471 -19.331 12.246 1.00 42.55 C ATOM 1360 CD1 LEU A 589 -4.104 -18.699 12.052 1.00 72.10 C ATOM 1361 CD2 LEU A 589 -5.381 -20.572 13.092 1.00 20.33 C ATOM 0 H LEU A 589 -8.115 -16.978 14.511 1.00 52.25 H new ATOM 0 HA LEU A 589 -5.425 -18.229 14.681 1.00 53.22 H new ATOM 0 HB2 LEU A 589 -7.444 -18.908 12.970 1.00 35.31 H new ATOM 0 HB3 LEU A 589 -6.708 -17.588 12.081 1.00 35.31 H new ATOM 0 HG LEU A 589 -5.819 -19.605 11.250 1.00 42.55 H new ATOM 0 HD11 LEU A 589 -3.417 -19.437 11.639 1.00 72.10 H new ATOM 0 HD12 LEU A 589 -4.187 -17.856 11.366 1.00 72.10 H new ATOM 0 HD13 LEU A 589 -3.725 -18.349 13.012 1.00 72.10 H new ATOM 0 HD21 LEU A 589 -4.641 -21.250 12.666 1.00 20.33 H new ATOM 0 HD22 LEU A 589 -5.085 -20.301 14.105 1.00 20.33 H new ATOM 0 HD23 LEU A 589 -6.352 -21.066 13.118 1.00 20.33 H new ATOM 1373 N GLU A 590 -4.474 -15.972 14.139 1.00 35.52 N ATOM 1374 CA GLU A 590 -3.929 -14.686 13.825 1.00 54.20 C ATOM 1375 C GLU A 590 -2.717 -14.867 12.973 1.00 73.23 C ATOM 1376 O GLU A 590 -1.885 -15.747 13.240 1.00 71.14 O ATOM 1377 CB GLU A 590 -3.566 -13.882 15.078 1.00 10.51 C ATOM 1378 CG GLU A 590 -2.976 -12.500 14.769 1.00 70.24 C ATOM 1379 CD GLU A 590 -2.560 -11.732 15.993 1.00 74.35 C ATOM 1380 OE1 GLU A 590 -3.411 -11.046 16.596 1.00 64.23 O ATOM 1381 OE2 GLU A 590 -1.376 -11.797 16.382 1.00 45.20 O ATOM 0 H GLU A 590 -3.820 -16.622 14.576 1.00 35.52 H new ATOM 0 HA GLU A 590 -4.693 -14.120 13.292 1.00 54.20 H new ATOM 0 HB2 GLU A 590 -4.458 -13.758 15.692 1.00 10.51 H new ATOM 0 HB3 GLU A 590 -2.848 -14.451 15.670 1.00 10.51 H new ATOM 0 HG2 GLU A 590 -2.112 -12.622 14.116 1.00 70.24 H new ATOM 0 HG3 GLU A 590 -3.712 -11.916 14.217 1.00 70.24 H new ATOM 1388 N ILE A 591 -2.640 -14.098 11.935 1.00 1.02 N ATOM 1389 CA ILE A 591 -1.479 -14.072 11.124 1.00 11.12 C ATOM 1390 C ILE A 591 -0.647 -12.900 11.549 1.00 42.13 C ATOM 1391 O ILE A 591 -1.180 -11.797 11.817 1.00 61.40 O ATOM 1392 CB ILE A 591 -1.781 -14.030 9.603 1.00 5.05 C ATOM 1393 CG1 ILE A 591 -2.760 -12.893 9.264 1.00 62.20 C ATOM 1394 CG2 ILE A 591 -2.308 -15.379 9.139 1.00 64.30 C ATOM 1395 CD1 ILE A 591 -3.100 -12.774 7.795 1.00 0.25 C ATOM 0 H ILE A 591 -3.385 -13.471 11.630 1.00 1.02 H new ATOM 0 HA ILE A 591 -0.937 -15.006 11.271 1.00 11.12 H new ATOM 0 HB ILE A 591 -0.854 -13.824 9.068 1.00 5.05 H new ATOM 0 HG12 ILE A 591 -3.682 -13.045 9.826 1.00 62.20 H new ATOM 0 HG13 ILE A 591 -2.332 -11.949 9.602 1.00 62.20 H new ATOM 0 HG21 ILE A 591 -2.517 -15.340 8.070 1.00 64.30 H new ATOM 0 HG22 ILE A 591 -1.561 -16.148 9.335 1.00 64.30 H new ATOM 0 HG23 ILE A 591 -3.224 -15.617 9.679 1.00 64.30 H new ATOM 0 HD11 ILE A 591 -3.795 -11.947 7.648 1.00 0.25 H new ATOM 0 HD12 ILE A 591 -2.190 -12.588 7.225 1.00 0.25 H new ATOM 0 HD13 ILE A 591 -3.560 -13.701 7.452 1.00 0.25 H new ATOM 1407 N GLY A 592 0.611 -13.130 11.664 1.00 13.42 N ATOM 1408 CA GLY A 592 1.497 -12.128 12.106 1.00 1.55 C ATOM 1409 C GLY A 592 1.874 -11.220 10.991 1.00 62.22 C ATOM 1410 O GLY A 592 1.515 -11.458 9.828 1.00 21.45 O ATOM 0 H GLY A 592 1.052 -14.025 11.452 1.00 13.42 H new ATOM 0 HA2 GLY A 592 1.031 -11.553 12.906 1.00 1.55 H new ATOM 0 HA3 GLY A 592 2.393 -12.588 12.524 1.00 1.55 H new ATOM 1414 N GLU A 593 2.570 -10.195 11.340 1.00 64.53 N ATOM 1415 CA GLU A 593 2.996 -9.180 10.439 1.00 74.33 C ATOM 1416 C GLU A 593 3.865 -9.772 9.331 1.00 44.32 C ATOM 1417 O GLU A 593 4.751 -10.606 9.594 1.00 11.03 O ATOM 1418 CB GLU A 593 3.730 -8.065 11.202 1.00 50.35 C ATOM 1419 CG GLU A 593 2.912 -7.454 12.354 1.00 33.51 C ATOM 1420 CD GLU A 593 2.768 -8.382 13.557 1.00 35.23 C ATOM 1421 OE1 GLU A 593 3.785 -8.714 14.173 1.00 52.54 O ATOM 1422 OE2 GLU A 593 1.645 -8.870 13.836 1.00 5.23 O ATOM 0 H GLU A 593 2.871 -10.034 12.301 1.00 64.53 H new ATOM 0 HA GLU A 593 2.119 -8.739 9.965 1.00 74.33 H new ATOM 0 HB2 GLU A 593 4.661 -8.465 11.603 1.00 50.35 H new ATOM 0 HB3 GLU A 593 3.998 -7.275 10.501 1.00 50.35 H new ATOM 0 HG2 GLU A 593 3.387 -6.527 12.675 1.00 33.51 H new ATOM 0 HG3 GLU A 593 1.920 -7.193 11.986 1.00 33.51 H new ATOM 1429 N PRO A 594 3.611 -9.368 8.086 1.00 62.32 N ATOM 1430 CA PRO A 594 4.310 -9.899 6.941 1.00 15.13 C ATOM 1431 C PRO A 594 5.740 -9.421 6.909 1.00 30.50 C ATOM 1432 O PRO A 594 6.020 -8.215 6.888 1.00 13.20 O ATOM 1433 CB PRO A 594 3.535 -9.369 5.738 1.00 53.50 C ATOM 1434 CG PRO A 594 2.778 -8.194 6.232 1.00 71.21 C ATOM 1435 CD PRO A 594 2.642 -8.330 7.720 1.00 63.03 C ATOM 0 HA PRO A 594 4.357 -10.988 6.958 1.00 15.13 H new ATOM 0 HB2 PRO A 594 4.211 -9.088 4.930 1.00 53.50 H new ATOM 0 HB3 PRO A 594 2.862 -10.129 5.340 1.00 53.50 H new ATOM 0 HG2 PRO A 594 3.298 -7.270 5.979 1.00 71.21 H new ATOM 0 HG3 PRO A 594 1.796 -8.146 5.761 1.00 71.21 H new ATOM 0 HD2 PRO A 594 2.859 -7.389 8.226 1.00 63.03 H new ATOM 0 HD3 PRO A 594 1.629 -8.617 8.001 1.00 63.03 H new ATOM 1443 N ARG A 595 6.628 -10.338 6.908 1.00 61.22 N ATOM 1444 CA ARG A 595 8.007 -10.036 6.941 1.00 33.25 C ATOM 1445 C ARG A 595 8.595 -10.252 5.564 1.00 3.43 C ATOM 1446 O ARG A 595 8.464 -11.335 4.971 1.00 34.32 O ATOM 1447 CB ARG A 595 8.701 -10.864 8.046 1.00 73.33 C ATOM 1448 CG ARG A 595 8.610 -12.374 7.868 1.00 64.11 C ATOM 1449 CD ARG A 595 8.889 -13.123 9.159 1.00 32.05 C ATOM 1450 NE ARG A 595 10.168 -12.762 9.774 1.00 75.41 N ATOM 1451 CZ ARG A 595 11.043 -13.634 10.283 1.00 54.41 C ATOM 1452 NH1 ARG A 595 10.815 -14.941 10.208 1.00 14.11 N ATOM 1453 NH2 ARG A 595 12.135 -13.188 10.900 1.00 24.01 N ATOM 0 H ARG A 595 6.416 -11.335 6.884 1.00 61.22 H new ATOM 0 HA ARG A 595 8.170 -8.989 7.197 1.00 33.25 H new ATOM 0 HB2 ARG A 595 9.753 -10.580 8.086 1.00 73.33 H new ATOM 0 HB3 ARG A 595 8.262 -10.599 9.008 1.00 73.33 H new ATOM 0 HG2 ARG A 595 7.616 -12.636 7.506 1.00 64.11 H new ATOM 0 HG3 ARG A 595 9.321 -12.691 7.105 1.00 64.11 H new ATOM 0 HD2 ARG A 595 8.085 -12.924 9.867 1.00 32.05 H new ATOM 0 HD3 ARG A 595 8.880 -14.194 8.958 1.00 32.05 H new ATOM 0 HE ARG A 595 10.409 -11.772 9.817 1.00 75.41 H new ATOM 0 HH11 ARG A 595 9.966 -15.286 9.759 1.00 14.11 H new ATOM 0 HH12 ARG A 595 11.489 -15.599 10.599 1.00 14.11 H new ATOM 0 HH21 ARG A 595 12.300 -12.185 10.982 1.00 24.01 H new ATOM 0 HH22 ARG A 595 12.806 -13.849 11.290 1.00 24.01 H new ATOM 1467 N LEU A 596 9.127 -9.195 5.014 1.00 43.51 N ATOM 1468 CA LEU A 596 9.754 -9.224 3.734 1.00 2.23 C ATOM 1469 C LEU A 596 10.993 -10.083 3.843 1.00 70.40 C ATOM 1470 O LEU A 596 11.750 -9.989 4.829 1.00 2.13 O ATOM 1471 CB LEU A 596 10.110 -7.769 3.326 1.00 31.01 C ATOM 1472 CG LEU A 596 10.407 -7.457 1.835 1.00 73.45 C ATOM 1473 CD1 LEU A 596 11.770 -7.940 1.396 1.00 42.04 C ATOM 1474 CD2 LEU A 596 9.336 -8.065 0.960 1.00 73.03 C ATOM 0 H LEU A 596 9.134 -8.276 5.456 1.00 43.51 H new ATOM 0 HA LEU A 596 9.097 -9.644 2.972 1.00 2.23 H new ATOM 0 HB2 LEU A 596 9.285 -7.129 3.638 1.00 31.01 H new ATOM 0 HB3 LEU A 596 10.983 -7.469 3.905 1.00 31.01 H new ATOM 0 HG LEU A 596 10.405 -6.372 1.728 1.00 73.45 H new ATOM 0 HD11 LEU A 596 11.922 -7.694 0.345 1.00 42.04 H new ATOM 0 HD12 LEU A 596 12.539 -7.455 1.997 1.00 42.04 H new ATOM 0 HD13 LEU A 596 11.834 -9.020 1.529 1.00 42.04 H new ATOM 0 HD21 LEU A 596 9.550 -7.842 -0.085 1.00 73.03 H new ATOM 0 HD22 LEU A 596 9.318 -9.145 1.105 1.00 73.03 H new ATOM 0 HD23 LEU A 596 8.366 -7.647 1.229 1.00 73.03 H new ATOM 1486 N VAL A 597 11.180 -10.946 2.893 1.00 53.55 N ATOM 1487 CA VAL A 597 12.374 -11.743 2.863 1.00 75.12 C ATOM 1488 C VAL A 597 13.430 -10.880 2.219 1.00 71.20 C ATOM 1489 O VAL A 597 13.588 -10.864 1.003 1.00 25.25 O ATOM 1490 CB VAL A 597 12.168 -13.057 2.082 1.00 23.23 C ATOM 1491 CG1 VAL A 597 13.385 -13.967 2.193 1.00 33.13 C ATOM 1492 CG2 VAL A 597 10.926 -13.761 2.590 1.00 52.11 C ATOM 0 H VAL A 597 10.526 -11.119 2.129 1.00 53.55 H new ATOM 0 HA VAL A 597 12.666 -12.046 3.868 1.00 75.12 H new ATOM 0 HB VAL A 597 12.038 -12.815 1.027 1.00 23.23 H new ATOM 0 HG11 VAL A 597 13.206 -14.884 1.631 1.00 33.13 H new ATOM 0 HG12 VAL A 597 14.259 -13.457 1.787 1.00 33.13 H new ATOM 0 HG13 VAL A 597 13.562 -14.212 3.240 1.00 33.13 H new ATOM 0 HG21 VAL A 597 10.782 -14.689 2.037 1.00 52.11 H new ATOM 0 HG22 VAL A 597 11.043 -13.985 3.650 1.00 52.11 H new ATOM 0 HG23 VAL A 597 10.059 -13.116 2.449 1.00 52.11 H new ATOM 2079 N PRO A 634 6.093 -5.101 3.170 1.00 32.35 N ATOM 2080 CA PRO A 634 4.737 -5.551 3.132 1.00 30.24 C ATOM 2081 C PRO A 634 4.082 -5.368 4.485 1.00 55.32 C ATOM 2082 O PRO A 634 4.693 -5.638 5.530 1.00 3.24 O ATOM 2083 CB PRO A 634 4.859 -7.017 2.764 1.00 33.00 C ATOM 2084 CG PRO A 634 6.177 -7.431 3.317 1.00 54.03 C ATOM 2085 CD PRO A 634 7.044 -6.213 3.305 1.00 12.43 C ATOM 0 HA PRO A 634 4.116 -4.998 2.427 1.00 30.24 H new ATOM 0 HB2 PRO A 634 4.046 -7.603 3.193 1.00 33.00 H new ATOM 0 HB3 PRO A 634 4.819 -7.160 1.684 1.00 33.00 H new ATOM 0 HG2 PRO A 634 6.068 -7.820 4.330 1.00 54.03 H new ATOM 0 HG3 PRO A 634 6.617 -8.227 2.716 1.00 54.03 H new ATOM 0 HD2 PRO A 634 7.628 -6.130 4.222 1.00 12.43 H new ATOM 0 HD3 PRO A 634 7.752 -6.235 2.477 1.00 12.43 H new ATOM 2093 N ILE A 635 2.883 -4.886 4.472 1.00 13.53 N ATOM 2094 CA ILE A 635 2.143 -4.655 5.674 1.00 71.04 C ATOM 2095 C ILE A 635 0.837 -5.395 5.573 1.00 34.23 C ATOM 2096 O ILE A 635 0.430 -5.799 4.472 1.00 41.25 O ATOM 2097 CB ILE A 635 1.866 -3.128 5.942 1.00 1.44 C ATOM 2098 CG1 ILE A 635 0.803 -2.493 5.000 1.00 2.42 C ATOM 2099 CG2 ILE A 635 3.146 -2.314 5.939 1.00 43.12 C ATOM 2100 CD1 ILE A 635 1.055 -2.656 3.540 1.00 21.25 C ATOM 0 H ILE A 635 2.382 -4.638 3.619 1.00 13.53 H new ATOM 0 HA ILE A 635 2.741 -5.014 6.511 1.00 71.04 H new ATOM 0 HB ILE A 635 1.433 -3.096 6.942 1.00 1.44 H new ATOM 0 HG12 ILE A 635 -0.169 -2.928 5.233 1.00 2.42 H new ATOM 0 HG13 ILE A 635 0.737 -1.428 5.222 1.00 2.42 H new ATOM 0 HG21 ILE A 635 2.911 -1.266 6.127 1.00 43.12 H new ATOM 0 HG22 ILE A 635 3.813 -2.682 6.718 1.00 43.12 H new ATOM 0 HG23 ILE A 635 3.634 -2.408 4.969 1.00 43.12 H new ATOM 0 HD11 ILE A 635 0.254 -2.177 2.977 1.00 21.25 H new ATOM 0 HD12 ILE A 635 2.008 -2.194 3.281 1.00 21.25 H new ATOM 0 HD13 ILE A 635 1.088 -3.717 3.293 1.00 21.25 H new ATOM 2112 N LEU A 636 0.195 -5.597 6.665 1.00 65.42 N ATOM 2113 CA LEU A 636 -1.055 -6.281 6.642 1.00 24.22 C ATOM 2114 C LEU A 636 -2.232 -5.320 6.762 1.00 41.44 C ATOM 2115 O LEU A 636 -2.038 -4.089 6.795 1.00 74.32 O ATOM 2116 CB LEU A 636 -1.104 -7.480 7.635 1.00 51.14 C ATOM 2117 CG LEU A 636 -0.569 -7.270 9.080 1.00 54.42 C ATOM 2118 CD1 LEU A 636 -1.344 -6.218 9.840 1.00 71.23 C ATOM 2119 CD2 LEU A 636 -0.593 -8.579 9.842 1.00 72.44 C ATOM 0 H LEU A 636 0.510 -5.300 7.589 1.00 65.42 H new ATOM 0 HA LEU A 636 -1.154 -6.739 5.658 1.00 24.22 H new ATOM 0 HB2 LEU A 636 -2.141 -7.806 7.710 1.00 51.14 H new ATOM 0 HB3 LEU A 636 -0.543 -8.302 7.190 1.00 51.14 H new ATOM 0 HG LEU A 636 0.457 -6.913 8.990 1.00 54.42 H new ATOM 0 HD11 LEU A 636 -0.928 -6.113 10.842 1.00 71.23 H new ATOM 0 HD12 LEU A 636 -1.274 -5.265 9.316 1.00 71.23 H new ATOM 0 HD13 LEU A 636 -2.390 -6.517 9.911 1.00 71.23 H new ATOM 0 HD21 LEU A 636 -0.216 -8.419 10.852 1.00 72.44 H new ATOM 0 HD22 LEU A 636 -1.616 -8.953 9.891 1.00 72.44 H new ATOM 0 HD23 LEU A 636 0.036 -9.309 9.332 1.00 72.44 H new ATOM 2131 N GLY A 637 -3.432 -5.868 6.782 1.00 22.13 N ATOM 2132 CA GLY A 637 -4.629 -5.063 6.874 1.00 53.31 C ATOM 2133 C GLY A 637 -4.858 -4.513 8.259 1.00 61.05 C ATOM 2134 O GLY A 637 -3.983 -4.591 9.125 1.00 61.44 O ATOM 0 H GLY A 637 -3.601 -6.873 6.735 1.00 22.13 H new ATOM 0 HA2 GLY A 637 -4.561 -4.237 6.167 1.00 53.31 H new ATOM 0 HA3 GLY A 637 -5.489 -5.664 6.580 1.00 53.31 H new ATOM 2138 N GLU A 638 -6.023 -3.963 8.479 1.00 45.20 N ATOM 2139 CA GLU A 638 -6.365 -3.413 9.767 1.00 24.42 C ATOM 2140 C GLU A 638 -6.511 -4.552 10.777 1.00 44.32 C ATOM 2141 O GLU A 638 -5.890 -4.543 11.850 1.00 32.01 O ATOM 2142 CB GLU A 638 -7.651 -2.594 9.665 1.00 50.44 C ATOM 2143 CG GLU A 638 -7.994 -1.816 10.917 1.00 52.02 C ATOM 2144 CD GLU A 638 -6.920 -0.822 11.275 1.00 72.02 C ATOM 2145 OE1 GLU A 638 -6.874 0.265 10.655 1.00 30.45 O ATOM 2146 OE2 GLU A 638 -6.098 -1.108 12.176 1.00 14.42 O ATOM 0 H GLU A 638 -6.758 -3.883 7.777 1.00 45.20 H new ATOM 0 HA GLU A 638 -5.573 -2.745 10.106 1.00 24.42 H new ATOM 0 HB2 GLU A 638 -7.559 -1.897 8.832 1.00 50.44 H new ATOM 0 HB3 GLU A 638 -8.478 -3.265 9.430 1.00 50.44 H new ATOM 0 HG2 GLU A 638 -8.939 -1.292 10.771 1.00 52.02 H new ATOM 0 HG3 GLU A 638 -8.138 -2.509 11.746 1.00 52.02 H new ATOM 2153 N HIS A 639 -7.304 -5.533 10.432 1.00 63.23 N ATOM 2154 CA HIS A 639 -7.463 -6.684 11.271 1.00 34.10 C ATOM 2155 C HIS A 639 -7.115 -7.951 10.554 1.00 43.13 C ATOM 2156 O HIS A 639 -7.515 -8.182 9.396 1.00 61.53 O ATOM 2157 CB HIS A 639 -8.851 -6.775 11.900 1.00 51.02 C ATOM 2158 CG HIS A 639 -9.076 -5.777 12.985 1.00 75.11 C ATOM 2159 ND1 HIS A 639 -8.818 -6.026 14.312 1.00 72.41 N ATOM 2160 CD2 HIS A 639 -9.521 -4.506 12.926 1.00 73.54 C ATOM 2161 CE1 HIS A 639 -9.104 -4.929 15.003 1.00 51.23 C ATOM 2162 NE2 HIS A 639 -9.538 -3.968 14.204 1.00 30.10 N ATOM 0 H HIS A 639 -7.850 -5.554 9.571 1.00 63.23 H new ATOM 0 HA HIS A 639 -6.754 -6.555 12.089 1.00 34.10 H new ATOM 0 HB2 HIS A 639 -9.603 -6.633 11.124 1.00 51.02 H new ATOM 0 HB3 HIS A 639 -8.994 -7.778 12.303 1.00 51.02 H new ATOM 0 HD2 HIS A 639 -9.817 -3.988 12.026 1.00 73.54 H new ATOM 0 HE1 HIS A 639 -8.997 -4.834 16.073 1.00 51.23 H new ATOM 0 HE2 HIS A 639 -9.825 -3.027 14.472 1.00 30.10 H new ATOM 2170 N THR A 640 -6.321 -8.736 11.210 1.00 75.41 N ATOM 2171 CA THR A 640 -5.920 -10.003 10.733 1.00 4.00 C ATOM 2172 C THR A 640 -6.209 -11.056 11.775 1.00 31.41 C ATOM 2173 O THR A 640 -5.395 -11.330 12.662 1.00 55.31 O ATOM 2174 CB THR A 640 -4.439 -10.003 10.346 1.00 11.21 C ATOM 2175 OG1 THR A 640 -3.646 -9.377 11.387 1.00 64.22 O ATOM 2176 CG2 THR A 640 -4.237 -9.267 9.048 1.00 64.22 C ATOM 0 H THR A 640 -5.927 -8.497 12.120 1.00 75.41 H new ATOM 0 HA THR A 640 -6.491 -10.235 9.834 1.00 4.00 H new ATOM 0 HB THR A 640 -4.117 -11.037 10.224 1.00 11.21 H new ATOM 0 HG1 THR A 640 -3.878 -9.768 12.255 1.00 64.22 H new ATOM 0 HG21 THR A 640 -3.179 -9.275 8.786 1.00 64.22 H new ATOM 0 HG22 THR A 640 -4.810 -9.755 8.260 1.00 64.22 H new ATOM 0 HG23 THR A 640 -4.575 -8.237 9.157 1.00 64.22 H new ATOM 2184 N LYS A 641 -7.377 -11.609 11.700 1.00 44.30 N ATOM 2185 CA LYS A 641 -7.814 -12.571 12.675 1.00 20.45 C ATOM 2186 C LYS A 641 -8.932 -13.395 12.104 1.00 72.41 C ATOM 2187 O LYS A 641 -9.696 -12.931 11.261 1.00 73.25 O ATOM 2188 CB LYS A 641 -8.264 -11.866 13.965 1.00 71.01 C ATOM 2189 CG LYS A 641 -8.643 -12.801 15.113 1.00 2.34 C ATOM 2190 CD LYS A 641 -9.036 -12.050 16.392 1.00 61.42 C ATOM 2191 CE LYS A 641 -10.408 -11.340 16.322 1.00 21.40 C ATOM 2192 NZ LYS A 641 -10.491 -10.245 15.318 1.00 74.03 N ATOM 0 H LYS A 641 -8.057 -11.411 10.966 1.00 44.30 H new ATOM 0 HA LYS A 641 -6.981 -13.229 12.924 1.00 20.45 H new ATOM 0 HB2 LYS A 641 -7.462 -11.209 14.301 1.00 71.01 H new ATOM 0 HB3 LYS A 641 -9.120 -11.232 13.735 1.00 71.01 H new ATOM 0 HG2 LYS A 641 -9.473 -13.434 14.800 1.00 2.34 H new ATOM 0 HG3 LYS A 641 -7.803 -13.461 15.329 1.00 2.34 H new ATOM 0 HD2 LYS A 641 -9.048 -12.755 17.223 1.00 61.42 H new ATOM 0 HD3 LYS A 641 -8.268 -11.309 16.614 1.00 61.42 H new ATOM 0 HE2 LYS A 641 -11.174 -12.081 16.095 1.00 21.40 H new ATOM 0 HE3 LYS A 641 -10.641 -10.931 17.305 1.00 21.40 H new ATOM 0 HZ1 LYS A 641 -11.130 -9.502 15.667 1.00 74.03 H new ATOM 0 HZ2 LYS A 641 -9.544 -9.843 15.163 1.00 74.03 H new ATOM 0 HZ3 LYS A 641 -10.857 -10.623 14.421 1.00 74.03 H new ATOM 2206 N LEU A 642 -8.987 -14.599 12.523 1.00 30.55 N ATOM 2207 CA LEU A 642 -9.971 -15.524 12.107 1.00 73.23 C ATOM 2208 C LEU A 642 -10.574 -16.144 13.334 1.00 13.25 C ATOM 2209 O LEU A 642 -9.850 -16.582 14.222 1.00 22.23 O ATOM 2210 CB LEU A 642 -9.291 -16.599 11.310 1.00 30.11 C ATOM 2211 CG LEU A 642 -10.152 -17.718 10.770 1.00 73.11 C ATOM 2212 CD1 LEU A 642 -11.017 -17.255 9.633 1.00 30.42 C ATOM 2213 CD2 LEU A 642 -9.274 -18.847 10.351 1.00 12.14 C ATOM 0 H LEU A 642 -8.322 -14.985 13.193 1.00 30.55 H new ATOM 0 HA LEU A 642 -10.741 -15.036 11.509 1.00 73.23 H new ATOM 0 HB2 LEU A 642 -8.788 -16.125 10.467 1.00 30.11 H new ATOM 0 HB3 LEU A 642 -8.516 -17.043 11.936 1.00 30.11 H new ATOM 0 HG LEU A 642 -10.826 -18.055 11.558 1.00 73.11 H new ATOM 0 HD11 LEU A 642 -11.621 -18.088 9.272 1.00 30.42 H new ATOM 0 HD12 LEU A 642 -11.672 -16.454 9.977 1.00 30.42 H new ATOM 0 HD13 LEU A 642 -10.387 -16.886 8.823 1.00 30.42 H new ATOM 0 HD21 LEU A 642 -9.887 -19.659 9.960 1.00 12.14 H new ATOM 0 HD22 LEU A 642 -8.587 -18.506 9.577 1.00 12.14 H new ATOM 0 HD23 LEU A 642 -8.705 -19.203 11.210 1.00 12.14 H new ATOM 2225 N GLU A 643 -11.853 -16.139 13.408 1.00 54.52 N ATOM 2226 CA GLU A 643 -12.544 -16.783 14.482 1.00 14.15 C ATOM 2227 C GLU A 643 -12.976 -18.155 13.972 1.00 12.41 C ATOM 2228 O GLU A 643 -13.848 -18.257 13.122 1.00 14.12 O ATOM 2229 CB GLU A 643 -13.742 -15.921 14.876 1.00 50.35 C ATOM 2230 CG GLU A 643 -14.501 -16.366 16.108 1.00 14.12 C ATOM 2231 CD GLU A 643 -15.569 -15.369 16.487 1.00 53.51 C ATOM 2232 OE1 GLU A 643 -15.223 -14.224 16.860 1.00 63.24 O ATOM 2233 OE2 GLU A 643 -16.778 -15.689 16.404 1.00 12.10 O ATOM 0 H GLU A 643 -12.462 -15.688 12.725 1.00 54.52 H new ATOM 0 HA GLU A 643 -11.919 -16.907 15.367 1.00 14.15 H new ATOM 0 HB2 GLU A 643 -13.394 -14.901 15.037 1.00 50.35 H new ATOM 0 HB3 GLU A 643 -14.436 -15.892 14.036 1.00 50.35 H new ATOM 0 HG2 GLU A 643 -14.958 -17.338 15.924 1.00 14.12 H new ATOM 0 HG3 GLU A 643 -13.807 -16.492 16.939 1.00 14.12 H new ATOM 2240 N VAL A 644 -12.316 -19.189 14.421 1.00 21.23 N ATOM 2241 CA VAL A 644 -12.601 -20.525 13.945 1.00 52.41 C ATOM 2242 C VAL A 644 -13.491 -21.219 14.922 1.00 23.14 C ATOM 2243 O VAL A 644 -13.059 -21.591 16.019 1.00 55.24 O ATOM 2244 CB VAL A 644 -11.333 -21.382 13.773 1.00 62.12 C ATOM 2245 CG1 VAL A 644 -11.682 -22.725 13.156 1.00 22.32 C ATOM 2246 CG2 VAL A 644 -10.299 -20.670 12.943 1.00 43.14 C ATOM 0 H VAL A 644 -11.574 -19.136 15.118 1.00 21.23 H new ATOM 0 HA VAL A 644 -13.075 -20.416 12.970 1.00 52.41 H new ATOM 0 HB VAL A 644 -10.905 -21.552 14.761 1.00 62.12 H new ATOM 0 HG11 VAL A 644 -10.775 -23.319 13.041 1.00 22.32 H new ATOM 0 HG12 VAL A 644 -12.382 -23.252 13.804 1.00 22.32 H new ATOM 0 HG13 VAL A 644 -12.140 -22.569 12.179 1.00 22.32 H new ATOM 0 HG21 VAL A 644 -9.417 -21.302 12.841 1.00 43.14 H new ATOM 0 HG22 VAL A 644 -10.709 -20.456 11.956 1.00 43.14 H new ATOM 0 HG23 VAL A 644 -10.022 -19.735 13.431 1.00 43.14 H new ATOM 2256 N ILE A 645 -14.706 -21.371 14.559 1.00 30.05 N ATOM 2257 CA ILE A 645 -15.678 -22.001 15.396 1.00 44.53 C ATOM 2258 C ILE A 645 -15.711 -23.492 15.096 1.00 45.13 C ATOM 2259 O ILE A 645 -15.866 -23.894 13.937 1.00 4.23 O ATOM 2260 CB ILE A 645 -17.060 -21.361 15.165 1.00 65.34 C ATOM 2261 CG1 ILE A 645 -16.963 -19.853 15.425 1.00 1.01 C ATOM 2262 CG2 ILE A 645 -18.103 -21.994 16.076 1.00 73.53 C ATOM 2263 CD1 ILE A 645 -18.195 -19.082 15.050 1.00 51.15 C ATOM 0 H ILE A 645 -15.070 -21.060 13.659 1.00 30.05 H new ATOM 0 HA ILE A 645 -15.410 -21.862 16.443 1.00 44.53 H new ATOM 0 HB ILE A 645 -17.369 -21.532 14.134 1.00 65.34 H new ATOM 0 HG12 ILE A 645 -16.755 -19.691 16.483 1.00 1.01 H new ATOM 0 HG13 ILE A 645 -16.115 -19.454 14.868 1.00 1.01 H new ATOM 0 HG21 ILE A 645 -19.072 -21.528 15.898 1.00 73.53 H new ATOM 0 HG22 ILE A 645 -18.169 -23.062 15.867 1.00 73.53 H new ATOM 0 HG23 ILE A 645 -17.815 -21.846 17.117 1.00 73.53 H new ATOM 0 HD11 ILE A 645 -18.042 -18.025 15.266 1.00 51.15 H new ATOM 0 HD12 ILE A 645 -18.395 -19.210 13.986 1.00 51.15 H new ATOM 0 HD13 ILE A 645 -19.044 -19.451 15.625 1.00 51.15 H new ATOM 2275 N ILE A 646 -15.535 -24.295 16.125 1.00 24.33 N ATOM 2276 CA ILE A 646 -15.527 -25.728 15.984 1.00 3.02 C ATOM 2277 C ILE A 646 -16.869 -26.274 16.416 1.00 43.11 C ATOM 2278 O ILE A 646 -17.185 -26.329 17.621 1.00 73.41 O ATOM 2279 CB ILE A 646 -14.430 -26.413 16.855 1.00 12.15 C ATOM 2280 CG1 ILE A 646 -13.034 -25.877 16.532 1.00 24.42 C ATOM 2281 CG2 ILE A 646 -14.476 -27.932 16.668 1.00 23.34 C ATOM 2282 CD1 ILE A 646 -11.952 -26.435 17.442 1.00 40.14 C ATOM 0 H ILE A 646 -15.394 -23.968 17.081 1.00 24.33 H new ATOM 0 HA ILE A 646 -15.316 -25.944 14.937 1.00 3.02 H new ATOM 0 HB ILE A 646 -14.639 -26.176 17.898 1.00 12.15 H new ATOM 0 HG12 ILE A 646 -12.790 -26.119 15.498 1.00 24.42 H new ATOM 0 HG13 ILE A 646 -13.042 -24.790 16.612 1.00 24.42 H new ATOM 0 HG21 ILE A 646 -13.705 -28.398 17.282 1.00 23.34 H new ATOM 0 HG22 ILE A 646 -15.455 -28.306 16.969 1.00 23.34 H new ATOM 0 HG23 ILE A 646 -14.301 -28.175 15.620 1.00 23.34 H new ATOM 0 HD11 ILE A 646 -10.987 -26.015 17.160 1.00 40.14 H new ATOM 0 HD12 ILE A 646 -12.174 -26.171 18.476 1.00 40.14 H new ATOM 0 HD13 ILE A 646 -11.918 -27.520 17.344 1.00 40.14 H new ATOM 2294 N GLU A 647 -17.664 -26.635 15.475 1.00 3.44 N ATOM 2295 CA GLU A 647 -18.908 -27.246 15.782 1.00 0.24 C ATOM 2296 C GLU A 647 -18.923 -28.619 15.172 1.00 22.01 C ATOM 2297 O GLU A 647 -18.252 -28.868 14.176 1.00 22.53 O ATOM 2298 CB GLU A 647 -20.096 -26.390 15.336 1.00 34.42 C ATOM 2299 CG GLU A 647 -20.166 -26.074 13.860 1.00 73.03 C ATOM 2300 CD GLU A 647 -21.400 -25.289 13.547 1.00 33.01 C ATOM 2301 OE1 GLU A 647 -22.514 -25.865 13.646 1.00 73.30 O ATOM 2302 OE2 GLU A 647 -21.302 -24.071 13.255 1.00 3.41 O ATOM 0 H GLU A 647 -17.475 -26.518 14.480 1.00 3.44 H new ATOM 0 HA GLU A 647 -19.015 -27.336 16.863 1.00 0.24 H new ATOM 0 HB2 GLU A 647 -21.015 -26.902 15.622 1.00 34.42 H new ATOM 0 HB3 GLU A 647 -20.069 -25.450 15.888 1.00 34.42 H new ATOM 0 HG2 GLU A 647 -19.283 -25.508 13.562 1.00 73.03 H new ATOM 0 HG3 GLU A 647 -20.161 -26.999 13.284 1.00 73.03 H new