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 Set 1.1: A 539 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 111:sc= 1.19 USER MOD Single : A 512 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 513 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.1!) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 517 SER OG : rot -56:sc= 0.959 USER MOD Single : A 521 MET CE :methyl -112:sc= -0.0594 (180deg=-4.6!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot 120:sc= -0.0942 USER MOD Single : A 529 SER OG : rot 180:sc= 0 USER MOD Single : A 534 ASN :FLIP amide:sc= -1.69 F(o=-3.9!,f=-1.7) USER MOD Single : A 540 LYS NZ :NH3+ -111:sc= 1.17 (180deg=-0.0708) USER MOD Single : A 541 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 545 THR OG1 : rot 60:sc= 1.43 USER MOD Single : A 557 CYS SG : rot 180:sc= 0 USER MOD Single : A 563 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.018) USER MOD Single : A 564 ASN : amide:sc= -0.0203 K(o=-0.02,f=-5.4!) USER MOD Single : A 569 LYS NZ :NH3+ 164:sc= 2.22 (180deg=1.74) USER MOD Single : A 570 THR OG1 : rot 146:sc= 1.29 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -170:sc= -0.0284 (180deg=-0.169) USER MOD Single : A 585 LYS NZ :NH3+ 129:sc= 1.17 (180deg=0.748) USER MOD Single : A 586 THR OG1 : rot 31:sc= 0.789 USER MOD Single : A 639 HIS :FLIP no HD1:sc= -0.918 F(o=-2!,f=-0.92) USER MOD Single : A 640 THR OG1 : rot 43:sc= 0.13 USER MOD Single : A 641 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 502 2.920 -2.368 -0.738 1.00 31.32 N ATOM 19 CA ALA A 502 2.360 -3.692 -0.728 1.00 54.34 C ATOM 20 C ALA A 502 0.825 -3.720 -0.845 1.00 62.12 C ATOM 21 O ALA A 502 0.283 -3.707 -1.944 1.00 54.45 O ATOM 22 CB ALA A 502 2.849 -4.478 0.469 1.00 24.44 C ATOM 0 HA ALA A 502 2.723 -4.181 -1.632 1.00 54.34 H new ATOM 0 HB1 ALA A 502 2.411 -5.476 0.453 1.00 24.44 H new ATOM 0 HB2 ALA A 502 3.935 -4.558 0.432 1.00 24.44 H new ATOM 0 HB3 ALA A 502 2.554 -3.967 1.385 1.00 24.44 H new ATOM 28 N GLY A 503 0.116 -3.717 0.261 1.00 23.02 N ATOM 29 CA GLY A 503 -1.306 -3.894 0.161 1.00 61.24 C ATOM 30 C GLY A 503 -1.933 -4.359 1.440 1.00 13.42 C ATOM 31 O GLY A 503 -1.600 -3.878 2.509 1.00 43.21 O ATOM 0 H GLY A 503 0.486 -3.599 1.204 1.00 23.02 H new ATOM 0 HA2 GLY A 503 -1.763 -2.951 -0.139 1.00 61.24 H new ATOM 0 HA3 GLY A 503 -1.521 -4.617 -0.626 1.00 61.24 H new ATOM 35 N ILE A 504 -2.815 -5.327 1.330 1.00 0.52 N ATOM 36 CA ILE A 504 -3.601 -5.779 2.453 1.00 41.40 C ATOM 37 C ILE A 504 -3.468 -7.292 2.641 1.00 53.32 C ATOM 38 O ILE A 504 -3.763 -8.058 1.728 1.00 31.21 O ATOM 39 CB ILE A 504 -5.138 -5.449 2.264 1.00 54.51 C ATOM 40 CG1 ILE A 504 -5.443 -3.944 2.160 1.00 51.30 C ATOM 41 CG2 ILE A 504 -5.987 -6.067 3.353 1.00 73.42 C ATOM 42 CD1 ILE A 504 -5.153 -3.311 0.804 1.00 2.13 C ATOM 0 H ILE A 504 -3.007 -5.822 0.459 1.00 0.52 H new ATOM 0 HA ILE A 504 -3.218 -5.252 3.327 1.00 41.40 H new ATOM 0 HB ILE A 504 -5.400 -5.897 1.306 1.00 54.51 H new ATOM 0 HG12 ILE A 504 -6.495 -3.786 2.398 1.00 51.30 H new ATOM 0 HG13 ILE A 504 -4.862 -3.419 2.919 1.00 51.30 H new ATOM 0 HG21 ILE A 504 -7.034 -5.816 3.185 1.00 73.42 H new ATOM 0 HG22 ILE A 504 -5.867 -7.150 3.337 1.00 73.42 H new ATOM 0 HG23 ILE A 504 -5.673 -5.681 4.323 1.00 73.42 H new ATOM 0 HD11 ILE A 504 -5.402 -2.250 0.837 1.00 2.13 H new ATOM 0 HD12 ILE A 504 -4.096 -3.428 0.566 1.00 2.13 H new ATOM 0 HD13 ILE A 504 -5.754 -3.801 0.038 1.00 2.13 H new ATOM 54 N PHE A 505 -2.985 -7.694 3.791 1.00 32.34 N ATOM 55 CA PHE A 505 -3.007 -9.089 4.201 1.00 35.30 C ATOM 56 C PHE A 505 -4.024 -9.241 5.305 1.00 43.53 C ATOM 57 O PHE A 505 -3.978 -8.488 6.291 1.00 24.12 O ATOM 58 CB PHE A 505 -1.647 -9.590 4.719 1.00 72.10 C ATOM 59 CG PHE A 505 -0.681 -10.057 3.672 1.00 61.42 C ATOM 60 CD1 PHE A 505 -0.899 -11.258 3.016 1.00 50.00 C ATOM 61 CD2 PHE A 505 0.453 -9.330 3.365 1.00 53.21 C ATOM 62 CE1 PHE A 505 -0.011 -11.722 2.071 1.00 32.52 C ATOM 63 CE2 PHE A 505 1.353 -9.792 2.422 1.00 10.04 C ATOM 64 CZ PHE A 505 1.116 -10.993 1.772 1.00 31.24 C ATOM 0 H PHE A 505 -2.563 -7.066 4.475 1.00 32.34 H new ATOM 0 HA PHE A 505 -3.258 -9.684 3.323 1.00 35.30 H new ATOM 0 HB2 PHE A 505 -1.178 -8.787 5.287 1.00 72.10 H new ATOM 0 HB3 PHE A 505 -1.824 -10.410 5.414 1.00 72.10 H new ATOM 0 HD1 PHE A 505 -1.779 -11.839 3.249 1.00 50.00 H new ATOM 0 HD2 PHE A 505 0.638 -8.392 3.866 1.00 53.21 H new ATOM 0 HE1 PHE A 505 -0.200 -12.657 1.565 1.00 32.52 H new ATOM 0 HE2 PHE A 505 2.239 -9.218 2.193 1.00 10.04 H new ATOM 0 HZ PHE A 505 1.815 -11.355 1.033 1.00 31.24 H new ATOM 74 N THR A 506 -4.946 -10.157 5.140 1.00 3.44 N ATOM 75 CA THR A 506 -5.942 -10.432 6.143 1.00 73.13 C ATOM 76 C THR A 506 -6.714 -11.687 5.735 1.00 12.25 C ATOM 77 O THR A 506 -6.408 -12.291 4.715 1.00 43.41 O ATOM 78 CB THR A 506 -6.914 -9.216 6.375 1.00 52.35 C ATOM 79 OG1 THR A 506 -7.741 -9.468 7.529 1.00 75.14 O ATOM 80 CG2 THR A 506 -7.809 -8.977 5.158 1.00 12.51 C ATOM 0 H THR A 506 -5.026 -10.734 4.303 1.00 3.44 H new ATOM 0 HA THR A 506 -5.439 -10.599 7.096 1.00 73.13 H new ATOM 0 HB THR A 506 -6.305 -8.326 6.536 1.00 52.35 H new ATOM 0 HG1 THR A 506 -7.490 -8.855 8.251 1.00 75.14 H new ATOM 0 HG21 THR A 506 -8.468 -8.130 5.352 1.00 12.51 H new ATOM 0 HG22 THR A 506 -7.189 -8.763 4.287 1.00 12.51 H new ATOM 0 HG23 THR A 506 -8.408 -9.867 4.967 1.00 12.51 H new ATOM 88 N PHE A 507 -7.677 -12.075 6.518 1.00 60.33 N ATOM 89 CA PHE A 507 -8.469 -13.241 6.230 1.00 15.51 C ATOM 90 C PHE A 507 -9.645 -12.877 5.351 1.00 71.22 C ATOM 91 O PHE A 507 -10.123 -11.736 5.391 1.00 2.54 O ATOM 92 CB PHE A 507 -8.950 -13.907 7.514 1.00 24.14 C ATOM 93 CG PHE A 507 -7.886 -14.673 8.236 1.00 45.01 C ATOM 94 CD1 PHE A 507 -7.631 -15.982 7.889 1.00 30.42 C ATOM 95 CD2 PHE A 507 -7.161 -14.101 9.268 1.00 70.12 C ATOM 96 CE1 PHE A 507 -6.678 -16.717 8.549 1.00 64.14 C ATOM 97 CE2 PHE A 507 -6.199 -14.829 9.936 1.00 1.53 C ATOM 98 CZ PHE A 507 -5.958 -16.143 9.576 1.00 73.41 C ATOM 0 H PHE A 507 -7.939 -11.592 7.378 1.00 60.33 H new ATOM 0 HA PHE A 507 -7.840 -13.953 5.695 1.00 15.51 H new ATOM 0 HB2 PHE A 507 -9.349 -13.143 8.181 1.00 24.14 H new ATOM 0 HB3 PHE A 507 -9.772 -14.582 7.275 1.00 24.14 H new ATOM 0 HD1 PHE A 507 -8.190 -16.437 7.085 1.00 30.42 H new ATOM 0 HD2 PHE A 507 -7.351 -13.076 9.552 1.00 70.12 H new ATOM 0 HE1 PHE A 507 -6.492 -17.742 8.265 1.00 64.14 H new ATOM 0 HE2 PHE A 507 -5.635 -14.375 10.738 1.00 1.53 H new ATOM 0 HZ PHE A 507 -5.208 -16.718 10.098 1.00 73.41 H new ATOM 108 N GLU A 508 -10.109 -13.844 4.555 1.00 22.44 N ATOM 109 CA GLU A 508 -11.242 -13.632 3.644 1.00 74.01 C ATOM 110 C GLU A 508 -12.476 -13.230 4.429 1.00 5.13 C ATOM 111 O GLU A 508 -13.231 -12.335 4.036 1.00 73.21 O ATOM 112 CB GLU A 508 -11.592 -14.912 2.902 1.00 54.42 C ATOM 113 CG GLU A 508 -10.474 -15.577 2.140 1.00 24.23 C ATOM 114 CD GLU A 508 -10.996 -16.749 1.354 1.00 33.22 C ATOM 115 OE1 GLU A 508 -11.383 -17.772 1.962 1.00 20.21 O ATOM 116 OE2 GLU A 508 -11.070 -16.650 0.107 1.00 61.32 O ATOM 0 H GLU A 508 -9.717 -14.785 4.522 1.00 22.44 H new ATOM 0 HA GLU A 508 -10.947 -12.852 2.942 1.00 74.01 H new ATOM 0 HB2 GLU A 508 -11.985 -15.628 3.624 1.00 54.42 H new ATOM 0 HB3 GLU A 508 -12.397 -14.691 2.202 1.00 54.42 H new ATOM 0 HG2 GLU A 508 -10.008 -14.858 1.466 1.00 24.23 H new ATOM 0 HG3 GLU A 508 -9.702 -15.911 2.833 1.00 24.23 H new ATOM 123 N GLU A 509 -12.651 -13.882 5.537 1.00 70.42 N ATOM 124 CA GLU A 509 -13.784 -13.714 6.376 1.00 43.43 C ATOM 125 C GLU A 509 -13.304 -13.621 7.805 1.00 53.32 C ATOM 126 O GLU A 509 -12.281 -14.202 8.136 1.00 14.13 O ATOM 127 CB GLU A 509 -14.749 -14.898 6.165 1.00 25.13 C ATOM 128 CG GLU A 509 -14.096 -16.270 6.299 1.00 43.31 C ATOM 129 CD GLU A 509 -14.992 -17.392 5.827 1.00 14.02 C ATOM 130 OE1 GLU A 509 -15.429 -17.364 4.652 1.00 52.42 O ATOM 131 OE2 GLU A 509 -15.278 -18.318 6.595 1.00 73.42 O ATOM 0 H GLU A 509 -11.983 -14.568 5.889 1.00 70.42 H new ATOM 0 HA GLU A 509 -14.327 -12.800 6.134 1.00 43.43 H new ATOM 0 HB2 GLU A 509 -15.561 -14.823 6.888 1.00 25.13 H new ATOM 0 HB3 GLU A 509 -15.195 -14.816 5.174 1.00 25.13 H new ATOM 0 HG2 GLU A 509 -13.170 -16.284 5.725 1.00 43.31 H new ATOM 0 HG3 GLU A 509 -13.827 -16.439 7.342 1.00 43.31 H new ATOM 138 N PRO A 510 -13.978 -12.840 8.642 1.00 53.25 N ATOM 139 CA PRO A 510 -13.602 -12.697 10.043 1.00 0.12 C ATOM 140 C PRO A 510 -13.895 -13.954 10.863 1.00 52.20 C ATOM 141 O PRO A 510 -13.206 -14.243 11.839 1.00 72.34 O ATOM 142 CB PRO A 510 -14.468 -11.532 10.536 1.00 74.31 C ATOM 143 CG PRO A 510 -15.628 -11.484 9.601 1.00 71.45 C ATOM 144 CD PRO A 510 -15.121 -11.981 8.278 1.00 73.51 C ATOM 0 HA PRO A 510 -12.531 -12.528 10.152 1.00 0.12 H new ATOM 0 HB2 PRO A 510 -14.796 -11.693 11.563 1.00 74.31 H new ATOM 0 HB3 PRO A 510 -13.912 -10.595 10.522 1.00 74.31 H new ATOM 0 HG2 PRO A 510 -16.446 -12.107 9.963 1.00 71.45 H new ATOM 0 HG3 PRO A 510 -16.015 -10.469 9.513 1.00 71.45 H new ATOM 0 HD2 PRO A 510 -15.887 -12.540 7.740 1.00 73.51 H new ATOM 0 HD3 PRO A 510 -14.814 -11.158 7.632 1.00 73.51 H new ATOM 152 N VAL A 511 -14.906 -14.692 10.472 1.00 22.15 N ATOM 153 CA VAL A 511 -15.330 -15.880 11.194 1.00 14.20 C ATOM 154 C VAL A 511 -15.512 -17.009 10.203 1.00 33.22 C ATOM 155 O VAL A 511 -16.072 -16.795 9.135 1.00 33.42 O ATOM 156 CB VAL A 511 -16.698 -15.647 11.905 1.00 23.44 C ATOM 157 CG1 VAL A 511 -17.076 -16.822 12.793 1.00 54.33 C ATOM 158 CG2 VAL A 511 -16.715 -14.349 12.690 1.00 4.33 C ATOM 0 H VAL A 511 -15.463 -14.490 9.642 1.00 22.15 H new ATOM 0 HA VAL A 511 -14.572 -16.117 11.941 1.00 14.20 H new ATOM 0 HB VAL A 511 -17.449 -15.566 11.120 1.00 23.44 H new ATOM 0 HG11 VAL A 511 -18.035 -16.623 13.271 1.00 54.33 H new ATOM 0 HG12 VAL A 511 -17.153 -17.725 12.188 1.00 54.33 H new ATOM 0 HG13 VAL A 511 -16.311 -16.961 13.557 1.00 54.33 H new ATOM 0 HG21 VAL A 511 -17.686 -14.226 13.169 1.00 4.33 H new ATOM 0 HG22 VAL A 511 -15.935 -14.374 13.451 1.00 4.33 H new ATOM 0 HG23 VAL A 511 -16.536 -13.513 12.014 1.00 4.33 H new ATOM 168 N THR A 512 -15.053 -18.175 10.540 1.00 64.03 N ATOM 169 CA THR A 512 -15.219 -19.299 9.693 1.00 3.42 C ATOM 170 C THR A 512 -15.701 -20.473 10.540 1.00 74.33 C ATOM 171 O THR A 512 -15.315 -20.607 11.721 1.00 1.22 O ATOM 172 CB THR A 512 -13.904 -19.645 8.932 1.00 10.05 C ATOM 173 OG1 THR A 512 -14.203 -20.461 7.793 1.00 2.54 O ATOM 174 CG2 THR A 512 -12.890 -20.358 9.828 1.00 61.14 C ATOM 0 H THR A 512 -14.555 -18.367 11.409 1.00 64.03 H new ATOM 0 HA THR A 512 -15.961 -19.071 8.928 1.00 3.42 H new ATOM 0 HB THR A 512 -13.454 -18.706 8.610 1.00 10.05 H new ATOM 0 HG1 THR A 512 -14.632 -19.914 7.102 1.00 2.54 H new ATOM 0 HG21 THR A 512 -11.990 -20.579 9.254 1.00 61.14 H new ATOM 0 HG22 THR A 512 -12.635 -19.716 10.671 1.00 61.14 H new ATOM 0 HG23 THR A 512 -13.322 -21.288 10.198 1.00 61.14 H new ATOM 182 N HIS A 513 -16.592 -21.262 10.017 1.00 32.41 N ATOM 183 CA HIS A 513 -17.029 -22.411 10.760 1.00 54.24 C ATOM 184 C HIS A 513 -16.493 -23.669 10.102 1.00 44.24 C ATOM 185 O HIS A 513 -16.542 -23.812 8.876 1.00 12.03 O ATOM 186 CB HIS A 513 -18.573 -22.454 10.968 1.00 1.30 C ATOM 187 CG HIS A 513 -19.428 -22.862 9.788 1.00 12.24 C ATOM 188 ND1 HIS A 513 -20.398 -23.831 9.879 1.00 5.01 N ATOM 189 CD2 HIS A 513 -19.458 -22.428 8.506 1.00 45.15 C ATOM 190 CE1 HIS A 513 -20.969 -23.975 8.692 1.00 5.21 C ATOM 191 NE2 HIS A 513 -20.438 -23.142 7.809 1.00 23.15 N ATOM 0 H HIS A 513 -17.023 -21.139 9.101 1.00 32.41 H new ATOM 0 HA HIS A 513 -16.618 -22.341 11.767 1.00 54.24 H new ATOM 0 HB2 HIS A 513 -18.782 -23.141 11.788 1.00 1.30 H new ATOM 0 HB3 HIS A 513 -18.896 -21.464 11.291 1.00 1.30 H new ATOM 0 HD1 HIS A 513 -20.639 -24.353 10.721 1.00 5.01 H new ATOM 0 HD2 HIS A 513 -18.828 -21.656 8.089 1.00 45.15 H new ATOM 0 HE1 HIS A 513 -21.760 -24.677 8.474 1.00 5.21 H new ATOM 199 N VAL A 514 -15.946 -24.537 10.888 1.00 41.03 N ATOM 200 CA VAL A 514 -15.387 -25.761 10.400 1.00 11.53 C ATOM 201 C VAL A 514 -16.031 -26.917 11.120 1.00 62.13 C ATOM 202 O VAL A 514 -16.703 -26.736 12.146 1.00 73.20 O ATOM 203 CB VAL A 514 -13.831 -25.833 10.557 1.00 35.30 C ATOM 204 CG1 VAL A 514 -13.152 -24.678 9.829 1.00 25.13 C ATOM 205 CG2 VAL A 514 -13.411 -25.866 12.025 1.00 72.32 C ATOM 0 H VAL A 514 -15.872 -24.418 11.898 1.00 41.03 H new ATOM 0 HA VAL A 514 -15.592 -25.810 9.330 1.00 11.53 H new ATOM 0 HB VAL A 514 -13.504 -26.767 10.099 1.00 35.30 H new ATOM 0 HG11 VAL A 514 -12.072 -24.753 9.955 1.00 25.13 H new ATOM 0 HG12 VAL A 514 -13.398 -24.722 8.768 1.00 25.13 H new ATOM 0 HG13 VAL A 514 -13.501 -23.732 10.243 1.00 25.13 H new ATOM 0 HG21 VAL A 514 -12.324 -25.916 12.091 1.00 72.32 H new ATOM 0 HG22 VAL A 514 -13.764 -24.964 12.525 1.00 72.32 H new ATOM 0 HG23 VAL A 514 -13.845 -26.742 12.508 1.00 72.32 H new ATOM 215 N SER A 515 -15.838 -28.072 10.599 1.00 11.12 N ATOM 216 CA SER A 515 -16.389 -29.239 11.126 1.00 1.44 C ATOM 217 C SER A 515 -15.409 -29.918 12.079 1.00 25.14 C ATOM 218 O SER A 515 -14.217 -29.712 11.991 1.00 75.43 O ATOM 219 CB SER A 515 -16.701 -30.123 9.951 1.00 4.33 C ATOM 220 OG SER A 515 -17.726 -29.561 9.153 1.00 22.03 O ATOM 0 H SER A 515 -15.271 -28.223 9.765 1.00 11.12 H new ATOM 0 HA SER A 515 -17.287 -29.027 11.706 1.00 1.44 H new ATOM 0 HB2 SER A 515 -15.803 -30.265 9.349 1.00 4.33 H new ATOM 0 HB3 SER A 515 -17.008 -31.108 10.303 1.00 4.33 H new ATOM 0 HG SER A 515 -17.911 -30.152 8.394 1.00 22.03 H new ATOM 226 N GLU A 516 -15.937 -30.647 13.023 1.00 14.03 N ATOM 227 CA GLU A 516 -15.144 -31.461 13.922 1.00 23.03 C ATOM 228 C GLU A 516 -14.520 -32.610 13.135 1.00 42.11 C ATOM 229 O GLU A 516 -13.310 -32.735 13.036 1.00 3.45 O ATOM 230 CB GLU A 516 -16.064 -31.967 15.083 1.00 62.23 C ATOM 231 CG GLU A 516 -15.449 -32.930 16.123 1.00 1.14 C ATOM 232 CD GLU A 516 -15.315 -34.363 15.627 1.00 1.22 C ATOM 233 OE1 GLU A 516 -16.348 -35.066 15.490 1.00 65.03 O ATOM 234 OE2 GLU A 516 -14.209 -34.811 15.366 1.00 52.23 O ATOM 0 H GLU A 516 -16.941 -30.698 13.197 1.00 14.03 H new ATOM 0 HA GLU A 516 -14.331 -30.885 14.364 1.00 23.03 H new ATOM 0 HB2 GLU A 516 -16.440 -31.094 15.616 1.00 62.23 H new ATOM 0 HB3 GLU A 516 -16.925 -32.463 14.636 1.00 62.23 H new ATOM 0 HG2 GLU A 516 -14.464 -32.561 16.409 1.00 1.14 H new ATOM 0 HG3 GLU A 516 -16.066 -32.922 17.022 1.00 1.14 H new ATOM 241 N SER A 517 -15.369 -33.364 12.504 1.00 10.02 N ATOM 242 CA SER A 517 -15.038 -34.594 11.811 1.00 62.41 C ATOM 243 C SER A 517 -14.471 -34.318 10.389 1.00 15.52 C ATOM 244 O SER A 517 -14.774 -35.035 9.437 1.00 65.52 O ATOM 245 CB SER A 517 -16.362 -35.318 11.710 1.00 61.01 C ATOM 246 OG SER A 517 -17.191 -34.929 12.825 1.00 51.44 O ATOM 0 H SER A 517 -16.362 -33.136 12.450 1.00 10.02 H new ATOM 0 HA SER A 517 -14.269 -35.163 12.334 1.00 62.41 H new ATOM 0 HB2 SER A 517 -16.855 -35.073 10.769 1.00 61.01 H new ATOM 0 HB3 SER A 517 -16.204 -36.396 11.715 1.00 61.01 H new ATOM 0 HG SER A 517 -16.715 -35.105 13.663 1.00 51.44 H new ATOM 252 N ILE A 518 -13.635 -33.308 10.267 1.00 41.10 N ATOM 253 CA ILE A 518 -13.108 -32.897 8.972 1.00 41.31 C ATOM 254 C ILE A 518 -11.646 -33.336 8.787 1.00 60.32 C ATOM 255 O ILE A 518 -11.179 -33.545 7.663 1.00 44.04 O ATOM 256 CB ILE A 518 -13.210 -31.355 8.833 1.00 44.45 C ATOM 257 CG1 ILE A 518 -12.844 -30.878 7.435 1.00 41.34 C ATOM 258 CG2 ILE A 518 -12.353 -30.644 9.879 1.00 35.03 C ATOM 259 CD1 ILE A 518 -12.943 -29.381 7.283 1.00 34.11 C ATOM 0 H ILE A 518 -13.301 -32.750 11.052 1.00 41.10 H new ATOM 0 HA ILE A 518 -13.704 -33.382 8.199 1.00 41.31 H new ATOM 0 HB ILE A 518 -14.254 -31.096 9.007 1.00 44.45 H new ATOM 0 HG12 ILE A 518 -11.828 -31.196 7.202 1.00 41.34 H new ATOM 0 HG13 ILE A 518 -13.502 -31.356 6.709 1.00 41.34 H new ATOM 0 HG21 ILE A 518 -12.447 -29.565 9.754 1.00 35.03 H new ATOM 0 HG22 ILE A 518 -12.690 -30.924 10.877 1.00 35.03 H new ATOM 0 HG23 ILE A 518 -11.310 -30.934 9.753 1.00 35.03 H new ATOM 0 HD11 ILE A 518 -12.670 -29.100 6.266 1.00 34.11 H new ATOM 0 HD12 ILE A 518 -13.965 -29.061 7.486 1.00 34.11 H new ATOM 0 HD13 ILE A 518 -12.265 -28.898 7.987 1.00 34.11 H new ATOM 271 N GLY A 519 -10.937 -33.480 9.877 1.00 23.12 N ATOM 272 CA GLY A 519 -9.543 -33.785 9.801 1.00 65.23 C ATOM 273 C GLY A 519 -8.720 -32.528 9.802 1.00 3.41 C ATOM 274 O GLY A 519 -8.224 -32.094 10.850 1.00 10.43 O ATOM 0 H GLY A 519 -11.307 -33.390 10.823 1.00 23.12 H new ATOM 0 HA2 GLY A 519 -9.257 -34.413 10.645 1.00 65.23 H new ATOM 0 HA3 GLY A 519 -9.340 -34.357 8.895 1.00 65.23 H new ATOM 278 N ILE A 520 -8.651 -31.895 8.662 1.00 75.10 N ATOM 279 CA ILE A 520 -7.831 -30.720 8.473 1.00 12.33 C ATOM 280 C ILE A 520 -8.694 -29.656 7.841 1.00 32.20 C ATOM 281 O ILE A 520 -9.447 -29.942 6.901 1.00 20.12 O ATOM 282 CB ILE A 520 -6.627 -30.998 7.504 1.00 72.45 C ATOM 283 CG1 ILE A 520 -5.699 -32.125 8.006 1.00 40.54 C ATOM 284 CG2 ILE A 520 -5.820 -29.721 7.226 1.00 63.31 C ATOM 285 CD1 ILE A 520 -4.945 -31.808 9.280 1.00 60.32 C ATOM 0 H ILE A 520 -9.165 -32.180 7.828 1.00 75.10 H new ATOM 0 HA ILE A 520 -7.433 -30.415 9.441 1.00 12.33 H new ATOM 0 HB ILE A 520 -7.069 -31.340 6.568 1.00 72.45 H new ATOM 0 HG12 ILE A 520 -6.296 -33.023 8.168 1.00 40.54 H new ATOM 0 HG13 ILE A 520 -4.978 -32.359 7.223 1.00 40.54 H new ATOM 0 HG21 ILE A 520 -4.995 -29.951 6.552 1.00 63.31 H new ATOM 0 HG22 ILE A 520 -6.467 -28.975 6.765 1.00 63.31 H new ATOM 0 HG23 ILE A 520 -5.424 -29.329 8.163 1.00 63.31 H new ATOM 0 HD11 ILE A 520 -4.320 -32.658 9.554 1.00 60.32 H new ATOM 0 HD12 ILE A 520 -4.317 -30.931 9.122 1.00 60.32 H new ATOM 0 HD13 ILE A 520 -5.655 -31.606 10.082 1.00 60.32 H new ATOM 297 N MET A 521 -8.628 -28.472 8.355 1.00 74.12 N ATOM 298 CA MET A 521 -9.340 -27.383 7.755 1.00 64.33 C ATOM 299 C MET A 521 -8.335 -26.442 7.127 1.00 44.44 C ATOM 300 O MET A 521 -7.202 -26.342 7.621 1.00 21.40 O ATOM 301 CB MET A 521 -10.257 -26.677 8.783 1.00 62.32 C ATOM 302 CG MET A 521 -9.578 -25.834 9.871 1.00 45.04 C ATOM 303 SD MET A 521 -9.088 -24.207 9.263 1.00 41.41 S ATOM 304 CE MET A 521 -8.771 -23.340 10.778 1.00 43.03 C ATOM 0 H MET A 521 -8.090 -28.230 9.187 1.00 74.12 H new ATOM 0 HA MET A 521 -10.004 -27.754 6.975 1.00 64.33 H new ATOM 0 HB2 MET A 521 -10.943 -26.031 8.235 1.00 62.32 H new ATOM 0 HB3 MET A 521 -10.861 -27.439 9.275 1.00 62.32 H new ATOM 0 HG2 MET A 521 -10.258 -25.715 10.714 1.00 45.04 H new ATOM 0 HG3 MET A 521 -8.699 -26.362 10.242 1.00 45.04 H new ATOM 0 HE1 MET A 521 -9.522 -22.563 10.916 1.00 43.03 H new ATOM 0 HE2 MET A 521 -8.814 -24.039 11.613 1.00 43.03 H new ATOM 0 HE3 MET A 521 -7.781 -22.885 10.737 1.00 43.03 H new ATOM 314 N GLU A 522 -8.708 -25.823 6.029 1.00 44.01 N ATOM 315 CA GLU A 522 -7.860 -24.873 5.334 1.00 11.21 C ATOM 316 C GLU A 522 -8.559 -23.549 5.133 1.00 34.33 C ATOM 317 O GLU A 522 -9.616 -23.478 4.496 1.00 42.51 O ATOM 318 CB GLU A 522 -7.395 -25.410 3.985 1.00 62.03 C ATOM 319 CG GLU A 522 -6.187 -26.319 4.048 1.00 74.53 C ATOM 320 CD GLU A 522 -5.814 -26.860 2.696 1.00 73.33 C ATOM 321 OE1 GLU A 522 -5.169 -26.136 1.909 1.00 2.10 O ATOM 322 OE2 GLU A 522 -6.166 -28.007 2.389 1.00 1.34 O ATOM 0 H GLU A 522 -9.616 -25.964 5.587 1.00 44.01 H new ATOM 0 HA GLU A 522 -6.987 -24.719 5.968 1.00 11.21 H new ATOM 0 HB2 GLU A 522 -8.218 -25.954 3.523 1.00 62.03 H new ATOM 0 HB3 GLU A 522 -7.165 -24.567 3.334 1.00 62.03 H new ATOM 0 HG2 GLU A 522 -5.342 -25.770 4.464 1.00 74.53 H new ATOM 0 HG3 GLU A 522 -6.393 -27.148 4.725 1.00 74.53 H new ATOM 329 N VAL A 523 -7.986 -22.512 5.672 1.00 54.41 N ATOM 330 CA VAL A 523 -8.524 -21.181 5.499 1.00 73.14 C ATOM 331 C VAL A 523 -7.563 -20.379 4.665 1.00 24.15 C ATOM 332 O VAL A 523 -6.356 -20.365 4.951 1.00 21.31 O ATOM 333 CB VAL A 523 -8.767 -20.473 6.849 1.00 42.42 C ATOM 334 CG1 VAL A 523 -9.327 -19.070 6.637 1.00 74.33 C ATOM 335 CG2 VAL A 523 -9.712 -21.294 7.694 1.00 61.43 C ATOM 0 H VAL A 523 -7.140 -22.557 6.240 1.00 54.41 H new ATOM 0 HA VAL A 523 -9.490 -21.262 5.001 1.00 73.14 H new ATOM 0 HB VAL A 523 -7.813 -20.379 7.368 1.00 42.42 H new ATOM 0 HG11 VAL A 523 -9.489 -18.593 7.604 1.00 74.33 H new ATOM 0 HG12 VAL A 523 -8.619 -18.480 6.055 1.00 74.33 H new ATOM 0 HG13 VAL A 523 -10.274 -19.133 6.100 1.00 74.33 H new ATOM 0 HG21 VAL A 523 -9.880 -20.790 8.646 1.00 61.43 H new ATOM 0 HG22 VAL A 523 -10.662 -21.409 7.171 1.00 61.43 H new ATOM 0 HG23 VAL A 523 -9.277 -22.277 7.876 1.00 61.43 H new ATOM 345 N LYS A 524 -8.075 -19.754 3.634 1.00 24.11 N ATOM 346 CA LYS A 524 -7.271 -18.991 2.725 1.00 44.14 C ATOM 347 C LYS A 524 -7.099 -17.562 3.227 1.00 24.34 C ATOM 348 O LYS A 524 -8.014 -16.979 3.823 1.00 3.25 O ATOM 349 CB LYS A 524 -7.897 -18.976 1.339 1.00 53.52 C ATOM 350 CG LYS A 524 -8.284 -20.346 0.807 1.00 25.22 C ATOM 351 CD LYS A 524 -8.405 -20.362 -0.710 1.00 22.14 C ATOM 352 CE LYS A 524 -9.237 -19.218 -1.231 1.00 32.32 C ATOM 353 NZ LYS A 524 -9.527 -19.337 -2.675 1.00 75.33 N ATOM 0 H LYS A 524 -9.069 -19.763 3.404 1.00 24.11 H new ATOM 0 HA LYS A 524 -6.291 -19.464 2.666 1.00 44.14 H new ATOM 0 HB2 LYS A 524 -8.786 -18.345 1.362 1.00 53.52 H new ATOM 0 HB3 LYS A 524 -7.197 -18.515 0.643 1.00 53.52 H new ATOM 0 HG2 LYS A 524 -7.539 -21.078 1.118 1.00 25.22 H new ATOM 0 HG3 LYS A 524 -9.233 -20.650 1.248 1.00 25.22 H new ATOM 0 HD2 LYS A 524 -7.410 -20.315 -1.152 1.00 22.14 H new ATOM 0 HD3 LYS A 524 -8.850 -21.305 -1.027 1.00 22.14 H new ATOM 0 HE2 LYS A 524 -10.175 -19.175 -0.678 1.00 32.32 H new ATOM 0 HE3 LYS A 524 -8.714 -18.280 -1.045 1.00 32.32 H new ATOM 0 HZ1 LYS A 524 -10.101 -18.526 -2.982 1.00 75.33 H new ATOM 0 HZ2 LYS A 524 -8.634 -19.351 -3.208 1.00 75.33 H new ATOM 0 HZ3 LYS A 524 -10.050 -20.218 -2.853 1.00 75.33 H new ATOM 367 N VAL A 525 -5.934 -17.023 3.011 1.00 22.13 N ATOM 368 CA VAL A 525 -5.612 -15.664 3.419 1.00 34.22 C ATOM 369 C VAL A 525 -5.604 -14.757 2.192 1.00 3.23 C ATOM 370 O VAL A 525 -5.163 -15.167 1.118 1.00 12.25 O ATOM 371 CB VAL A 525 -4.212 -15.612 4.097 1.00 74.52 C ATOM 372 CG1 VAL A 525 -3.882 -14.225 4.627 1.00 2.12 C ATOM 373 CG2 VAL A 525 -4.122 -16.625 5.206 1.00 71.33 C ATOM 0 H VAL A 525 -5.168 -17.508 2.544 1.00 22.13 H new ATOM 0 HA VAL A 525 -6.364 -15.327 4.133 1.00 34.22 H new ATOM 0 HB VAL A 525 -3.477 -15.854 3.330 1.00 74.52 H new ATOM 0 HG11 VAL A 525 -2.896 -14.238 5.091 1.00 2.12 H new ATOM 0 HG12 VAL A 525 -3.886 -13.510 3.804 1.00 2.12 H new ATOM 0 HG13 VAL A 525 -4.627 -13.931 5.366 1.00 2.12 H new ATOM 0 HG21 VAL A 525 -3.136 -16.573 5.667 1.00 71.33 H new ATOM 0 HG22 VAL A 525 -4.885 -16.413 5.955 1.00 71.33 H new ATOM 0 HG23 VAL A 525 -4.280 -17.624 4.800 1.00 71.33 H new ATOM 383 N LEU A 526 -6.093 -13.551 2.343 1.00 50.33 N ATOM 384 CA LEU A 526 -6.095 -12.591 1.267 1.00 31.43 C ATOM 385 C LEU A 526 -4.695 -12.066 1.086 1.00 65.01 C ATOM 386 O LEU A 526 -4.111 -11.491 2.021 1.00 74.15 O ATOM 387 CB LEU A 526 -7.054 -11.427 1.556 1.00 74.10 C ATOM 388 CG LEU A 526 -8.535 -11.778 1.719 1.00 43.45 C ATOM 389 CD1 LEU A 526 -9.341 -10.530 2.017 1.00 32.21 C ATOM 390 CD2 LEU A 526 -9.071 -12.459 0.469 1.00 15.43 C ATOM 0 H LEU A 526 -6.500 -13.208 3.213 1.00 50.33 H new ATOM 0 HA LEU A 526 -6.437 -13.084 0.357 1.00 31.43 H new ATOM 0 HB2 LEU A 526 -6.720 -10.930 2.467 1.00 74.10 H new ATOM 0 HB3 LEU A 526 -6.963 -10.703 0.746 1.00 74.10 H new ATOM 0 HG LEU A 526 -8.630 -12.470 2.556 1.00 43.45 H new ATOM 0 HD11 LEU A 526 -10.392 -10.794 2.130 1.00 32.21 H new ATOM 0 HD12 LEU A 526 -8.980 -10.075 2.939 1.00 32.21 H new ATOM 0 HD13 LEU A 526 -9.232 -9.822 1.196 1.00 32.21 H new ATOM 0 HD21 LEU A 526 -10.125 -12.699 0.609 1.00 15.43 H new ATOM 0 HD22 LEU A 526 -8.961 -11.791 -0.385 1.00 15.43 H new ATOM 0 HD23 LEU A 526 -8.511 -13.376 0.286 1.00 15.43 H new ATOM 402 N ARG A 527 -4.141 -12.296 -0.083 1.00 33.15 N ATOM 403 CA ARG A 527 -2.812 -11.850 -0.383 1.00 44.23 C ATOM 404 C ARG A 527 -2.829 -10.344 -0.594 1.00 43.33 C ATOM 405 O ARG A 527 -3.860 -9.767 -0.966 1.00 71.41 O ATOM 406 CB ARG A 527 -2.270 -12.559 -1.643 1.00 43.42 C ATOM 407 CG ARG A 527 -0.806 -12.238 -1.968 1.00 14.23 C ATOM 408 CD ARG A 527 -0.359 -12.828 -3.297 1.00 43.12 C ATOM 409 NE ARG A 527 -1.055 -12.217 -4.445 1.00 62.55 N ATOM 410 CZ ARG A 527 -0.785 -12.470 -5.742 1.00 63.14 C ATOM 411 NH1 ARG A 527 0.104 -13.405 -6.083 1.00 62.34 N ATOM 412 NH2 ARG A 527 -1.424 -11.802 -6.690 1.00 3.31 N ATOM 0 H ARG A 527 -4.601 -12.795 -0.844 1.00 33.15 H new ATOM 0 HA ARG A 527 -2.155 -12.096 0.451 1.00 44.23 H new ATOM 0 HB2 ARG A 527 -2.373 -13.636 -1.512 1.00 43.42 H new ATOM 0 HB3 ARG A 527 -2.889 -12.281 -2.496 1.00 43.42 H new ATOM 0 HG2 ARG A 527 -0.672 -11.157 -1.991 1.00 14.23 H new ATOM 0 HG3 ARG A 527 -0.168 -12.622 -1.172 1.00 14.23 H new ATOM 0 HD2 ARG A 527 0.716 -12.688 -3.411 1.00 43.12 H new ATOM 0 HD3 ARG A 527 -0.542 -13.903 -3.294 1.00 43.12 H new ATOM 0 HE ARG A 527 -1.800 -11.550 -4.242 1.00 62.55 H new ATOM 0 HH11 ARG A 527 0.587 -13.937 -5.359 1.00 62.34 H new ATOM 0 HH12 ARG A 527 0.300 -13.588 -7.067 1.00 62.34 H new ATOM 0 HH21 ARG A 527 -2.118 -11.098 -6.439 1.00 3.31 H new ATOM 0 HH22 ARG A 527 -1.222 -11.991 -7.672 1.00 3.31 H new ATOM 426 N THR A 528 -1.710 -9.724 -0.338 1.00 53.32 N ATOM 427 CA THR A 528 -1.519 -8.339 -0.523 1.00 23.33 C ATOM 428 C THR A 528 -1.737 -7.950 -2.001 1.00 10.25 C ATOM 429 O THR A 528 -1.641 -8.792 -2.910 1.00 72.24 O ATOM 430 CB THR A 528 -0.094 -7.966 -0.056 1.00 25.12 C ATOM 431 OG1 THR A 528 0.099 -6.584 -0.110 1.00 14.04 O ATOM 432 CG2 THR A 528 0.966 -8.648 -0.897 1.00 50.44 C ATOM 0 H THR A 528 -0.883 -10.202 0.019 1.00 53.32 H new ATOM 0 HA THR A 528 -2.249 -7.787 0.069 1.00 23.33 H new ATOM 0 HB THR A 528 0.003 -8.309 0.974 1.00 25.12 H new ATOM 0 HG1 THR A 528 0.310 -6.248 0.786 1.00 14.04 H new ATOM 0 HG21 THR A 528 1.955 -8.361 -0.539 1.00 50.44 H new ATOM 0 HG22 THR A 528 0.851 -9.729 -0.820 1.00 50.44 H new ATOM 0 HG23 THR A 528 0.855 -8.345 -1.938 1.00 50.44 H new ATOM 440 N SER A 529 -2.037 -6.700 -2.215 1.00 53.31 N ATOM 441 CA SER A 529 -2.281 -6.166 -3.522 1.00 24.21 C ATOM 442 C SER A 529 -0.958 -6.076 -4.303 1.00 41.41 C ATOM 443 O SER A 529 -0.923 -6.171 -5.535 1.00 51.55 O ATOM 444 CB SER A 529 -2.931 -4.779 -3.363 1.00 13.43 C ATOM 445 OG SER A 529 -3.212 -4.182 -4.614 1.00 60.11 O ATOM 0 H SER A 529 -2.120 -6.010 -1.468 1.00 53.31 H new ATOM 0 HA SER A 529 -2.953 -6.815 -4.084 1.00 24.21 H new ATOM 0 HB2 SER A 529 -3.854 -4.874 -2.791 1.00 13.43 H new ATOM 0 HB3 SER A 529 -2.267 -4.130 -2.792 1.00 13.43 H new ATOM 0 HG SER A 529 -3.625 -3.305 -4.472 1.00 60.11 H new ATOM 451 N GLY A 530 0.119 -5.943 -3.578 1.00 52.20 N ATOM 452 CA GLY A 530 1.406 -5.814 -4.184 1.00 73.35 C ATOM 453 C GLY A 530 2.383 -6.784 -3.605 1.00 64.50 C ATOM 454 O GLY A 530 3.118 -6.456 -2.673 1.00 53.14 O ATOM 0 H GLY A 530 0.125 -5.922 -2.558 1.00 52.20 H new ATOM 0 HA2 GLY A 530 1.322 -5.978 -5.258 1.00 73.35 H new ATOM 0 HA3 GLY A 530 1.775 -4.798 -4.045 1.00 73.35 H new ATOM 458 N ALA A 531 2.359 -7.994 -4.097 1.00 2.52 N ATOM 459 CA ALA A 531 3.309 -8.980 -3.664 1.00 12.21 C ATOM 460 C ALA A 531 4.500 -8.898 -4.578 1.00 73.54 C ATOM 461 O ALA A 531 4.472 -9.387 -5.707 1.00 21.10 O ATOM 462 CB ALA A 531 2.695 -10.376 -3.694 1.00 2.32 C ATOM 0 H ALA A 531 1.692 -8.319 -4.797 1.00 2.52 H new ATOM 0 HA ALA A 531 3.610 -8.787 -2.634 1.00 12.21 H new ATOM 0 HB1 ALA A 531 3.434 -11.106 -3.362 1.00 2.32 H new ATOM 0 HB2 ALA A 531 1.830 -10.408 -3.031 1.00 2.32 H new ATOM 0 HB3 ALA A 531 2.382 -10.614 -4.711 1.00 2.32 H new ATOM 468 N ARG A 532 5.520 -8.253 -4.122 1.00 5.31 N ATOM 469 CA ARG A 532 6.673 -8.040 -4.933 1.00 44.04 C ATOM 470 C ARG A 532 7.861 -8.809 -4.430 1.00 22.25 C ATOM 471 O ARG A 532 8.555 -8.392 -3.495 1.00 32.32 O ATOM 472 CB ARG A 532 6.958 -6.544 -5.101 1.00 23.23 C ATOM 473 CG ARG A 532 5.880 -5.811 -5.898 1.00 32.14 C ATOM 474 CD ARG A 532 5.762 -6.374 -7.312 1.00 24.05 C ATOM 475 NE ARG A 532 4.714 -5.724 -8.091 1.00 22.45 N ATOM 476 CZ ARG A 532 4.326 -6.101 -9.322 1.00 2.20 C ATOM 477 NH1 ARG A 532 4.896 -7.148 -9.926 1.00 55.30 N ATOM 478 NH2 ARG A 532 3.363 -5.438 -9.938 1.00 33.40 N ATOM 0 H ARG A 532 5.580 -7.860 -3.183 1.00 5.31 H new ATOM 0 HA ARG A 532 6.462 -8.434 -5.927 1.00 44.04 H new ATOM 0 HB2 ARG A 532 7.048 -6.085 -4.116 1.00 23.23 H new ATOM 0 HB3 ARG A 532 7.919 -6.418 -5.600 1.00 23.23 H new ATOM 0 HG2 ARG A 532 4.922 -5.901 -5.387 1.00 32.14 H new ATOM 0 HG3 ARG A 532 6.118 -4.748 -5.945 1.00 32.14 H new ATOM 0 HD2 ARG A 532 6.716 -6.258 -7.826 1.00 24.05 H new ATOM 0 HD3 ARG A 532 5.558 -7.443 -7.257 1.00 24.05 H new ATOM 0 HE ARG A 532 4.240 -4.924 -7.671 1.00 22.45 H new ATOM 0 HH11 ARG A 532 5.634 -7.670 -9.453 1.00 55.30 H new ATOM 0 HH12 ARG A 532 4.594 -7.425 -10.860 1.00 55.30 H new ATOM 0 HH21 ARG A 532 2.917 -4.643 -9.480 1.00 33.40 H new ATOM 0 HH22 ARG A 532 3.066 -5.721 -10.872 1.00 33.40 H new ATOM 492 N GLY A 533 8.062 -9.949 -5.029 1.00 32.10 N ATOM 493 CA GLY A 533 9.144 -10.801 -4.651 1.00 60.31 C ATOM 494 C GLY A 533 8.648 -11.929 -3.800 1.00 42.14 C ATOM 495 O GLY A 533 7.747 -12.672 -4.213 1.00 72.13 O ATOM 0 H GLY A 533 7.482 -10.308 -5.788 1.00 32.10 H new ATOM 0 HA2 GLY A 533 9.632 -11.197 -5.542 1.00 60.31 H new ATOM 0 HA3 GLY A 533 9.893 -10.228 -4.105 1.00 60.31 H new ATOM 499 N ASN A 534 9.194 -12.047 -2.621 1.00 52.43 N ATOM 500 CA ASN A 534 8.815 -13.085 -1.687 1.00 40.44 C ATOM 501 C ASN A 534 8.595 -12.493 -0.299 1.00 15.33 C ATOM 502 O ASN A 534 9.436 -11.754 0.220 1.00 45.01 O ATOM 503 CB ASN A 534 9.883 -14.190 -1.661 1.00 22.13 C ATOM 504 CG ASN A 534 9.611 -15.323 -0.669 1.00 14.25 C ATOM 505 OD1 ASN A 534 8.366 -15.630 -0.393 1.00 22.40 O flip ATOM 506 ND2 ASN A 534 10.540 -15.937 -0.164 1.00 11.21 N flip ATOM 0 H ASN A 534 9.922 -11.422 -2.273 1.00 52.43 H new ATOM 0 HA ASN A 534 7.876 -13.532 -2.013 1.00 40.44 H new ATOM 0 HB2 ASN A 534 9.970 -14.615 -2.661 1.00 22.13 H new ATOM 0 HB3 ASN A 534 10.846 -13.739 -1.421 1.00 22.13 H new ATOM 0 HD21 ASN A 534 11.502 -15.684 -0.391 1.00 11.21 H new ATOM 0 HD22 ASN A 534 10.353 -16.702 0.484 1.00 11.21 H new ATOM 513 N VAL A 535 7.449 -12.791 0.268 1.00 61.32 N ATOM 514 CA VAL A 535 7.056 -12.311 1.565 1.00 53.31 C ATOM 515 C VAL A 535 6.572 -13.490 2.400 1.00 4.42 C ATOM 516 O VAL A 535 5.855 -14.351 1.910 1.00 72.01 O ATOM 517 CB VAL A 535 5.899 -11.275 1.439 1.00 52.41 C ATOM 518 CG1 VAL A 535 5.462 -10.755 2.796 1.00 63.33 C ATOM 519 CG2 VAL A 535 6.295 -10.128 0.528 1.00 63.10 C ATOM 0 H VAL A 535 6.750 -13.388 -0.174 1.00 61.32 H new ATOM 0 HA VAL A 535 7.912 -11.829 2.038 1.00 53.31 H new ATOM 0 HB VAL A 535 5.048 -11.791 0.994 1.00 52.41 H new ATOM 0 HG11 VAL A 535 4.654 -10.035 2.667 1.00 63.33 H new ATOM 0 HG12 VAL A 535 5.113 -11.586 3.409 1.00 63.33 H new ATOM 0 HG13 VAL A 535 6.305 -10.270 3.288 1.00 63.33 H new ATOM 0 HG21 VAL A 535 5.470 -9.419 0.457 1.00 63.10 H new ATOM 0 HG22 VAL A 535 7.172 -9.625 0.936 1.00 63.10 H new ATOM 0 HG23 VAL A 535 6.528 -10.515 -0.464 1.00 63.10 H new ATOM 529 N ILE A 536 6.974 -13.538 3.624 1.00 55.21 N ATOM 530 CA ILE A 536 6.535 -14.573 4.515 1.00 24.32 C ATOM 531 C ILE A 536 5.545 -13.988 5.506 1.00 13.40 C ATOM 532 O ILE A 536 5.730 -12.866 5.976 1.00 41.14 O ATOM 533 CB ILE A 536 7.723 -15.215 5.279 1.00 12.25 C ATOM 534 CG1 ILE A 536 8.683 -15.924 4.326 1.00 31.14 C ATOM 535 CG2 ILE A 536 7.238 -16.169 6.333 1.00 1.54 C ATOM 536 CD1 ILE A 536 8.042 -16.996 3.486 1.00 72.45 C ATOM 0 H ILE A 536 7.616 -12.864 4.041 1.00 55.21 H new ATOM 0 HA ILE A 536 6.061 -15.356 3.923 1.00 24.32 H new ATOM 0 HB ILE A 536 8.266 -14.406 5.768 1.00 12.25 H new ATOM 0 HG12 ILE A 536 9.135 -15.183 3.666 1.00 31.14 H new ATOM 0 HG13 ILE A 536 9.491 -16.368 4.907 1.00 31.14 H new ATOM 0 HG21 ILE A 536 8.093 -16.603 6.852 1.00 1.54 H new ATOM 0 HG22 ILE A 536 6.613 -15.634 7.048 1.00 1.54 H new ATOM 0 HG23 ILE A 536 6.656 -16.963 5.865 1.00 1.54 H new ATOM 0 HD11 ILE A 536 8.793 -17.448 2.838 1.00 72.45 H new ATOM 0 HD12 ILE A 536 7.615 -17.760 4.135 1.00 72.45 H new ATOM 0 HD13 ILE A 536 7.253 -16.557 2.875 1.00 72.45 H new ATOM 548 N VAL A 537 4.493 -14.712 5.786 1.00 21.23 N ATOM 549 CA VAL A 537 3.515 -14.282 6.753 1.00 35.42 C ATOM 550 C VAL A 537 3.373 -15.344 7.847 1.00 61.11 C ATOM 551 O VAL A 537 2.910 -16.456 7.577 1.00 65.22 O ATOM 552 CB VAL A 537 2.132 -14.005 6.101 1.00 23.30 C ATOM 553 CG1 VAL A 537 1.134 -13.485 7.132 1.00 3.23 C ATOM 554 CG2 VAL A 537 2.275 -13.018 4.960 1.00 12.11 C ATOM 0 H VAL A 537 4.290 -15.613 5.353 1.00 21.23 H new ATOM 0 HA VAL A 537 3.865 -13.345 7.186 1.00 35.42 H new ATOM 0 HB VAL A 537 1.750 -14.946 5.705 1.00 23.30 H new ATOM 0 HG11 VAL A 537 0.175 -13.300 6.649 1.00 3.23 H new ATOM 0 HG12 VAL A 537 1.006 -14.227 7.920 1.00 3.23 H new ATOM 0 HG13 VAL A 537 1.508 -12.557 7.564 1.00 3.23 H new ATOM 0 HG21 VAL A 537 1.298 -12.834 4.513 1.00 12.11 H new ATOM 0 HG22 VAL A 537 2.683 -12.081 5.339 1.00 12.11 H new ATOM 0 HG23 VAL A 537 2.947 -13.428 4.206 1.00 12.11 H new ATOM 564 N PRO A 538 3.836 -15.051 9.068 1.00 14.20 N ATOM 565 CA PRO A 538 3.705 -15.973 10.198 1.00 13.32 C ATOM 566 C PRO A 538 2.270 -16.040 10.715 1.00 31.11 C ATOM 567 O PRO A 538 1.488 -15.106 10.528 1.00 52.51 O ATOM 568 CB PRO A 538 4.621 -15.373 11.265 1.00 71.41 C ATOM 569 CG PRO A 538 4.703 -13.920 10.935 1.00 13.34 C ATOM 570 CD PRO A 538 4.536 -13.805 9.444 1.00 42.21 C ATOM 0 HA PRO A 538 3.967 -16.994 9.922 1.00 13.32 H new ATOM 0 HB2 PRO A 538 4.216 -15.528 12.265 1.00 71.41 H new ATOM 0 HB3 PRO A 538 5.607 -15.838 11.245 1.00 71.41 H new ATOM 0 HG2 PRO A 538 3.926 -13.360 11.456 1.00 13.34 H new ATOM 0 HG3 PRO A 538 5.660 -13.505 11.250 1.00 13.34 H new ATOM 0 HD2 PRO A 538 3.955 -12.923 9.174 1.00 42.21 H new ATOM 0 HD3 PRO A 538 5.498 -13.720 8.940 1.00 42.21 H new ATOM 578 N TYR A 539 1.920 -17.135 11.342 1.00 14.12 N ATOM 579 CA TYR A 539 0.600 -17.284 11.908 1.00 1.14 C ATOM 580 C TYR A 539 0.648 -18.197 13.100 1.00 43.13 C ATOM 581 O TYR A 539 1.557 -19.038 13.212 1.00 10.12 O ATOM 582 CB TYR A 539 -0.424 -17.825 10.875 1.00 22.55 C ATOM 583 CG TYR A 539 -0.303 -19.301 10.479 1.00 55.34 C ATOM 584 CD1 TYR A 539 -0.923 -20.294 11.238 1.00 1.20 C ATOM 585 CD2 TYR A 539 0.380 -19.691 9.337 1.00 4.43 C ATOM 586 CE1 TYR A 539 -0.856 -21.618 10.879 1.00 3.23 C ATOM 587 CE2 TYR A 539 0.439 -21.026 8.964 1.00 30.33 C ATOM 588 CZ TYR A 539 -0.182 -21.984 9.745 1.00 10.42 C ATOM 589 OH TYR A 539 -0.146 -23.312 9.380 1.00 1.23 O ATOM 0 H TYR A 539 2.532 -17.940 11.474 1.00 14.12 H new ATOM 0 HA TYR A 539 0.267 -16.292 12.215 1.00 1.14 H new ATOM 0 HB2 TYR A 539 -1.425 -17.663 11.274 1.00 22.55 H new ATOM 0 HB3 TYR A 539 -0.341 -17.224 9.970 1.00 22.55 H new ATOM 0 HD1 TYR A 539 -1.468 -20.015 12.128 1.00 1.20 H new ATOM 0 HD2 TYR A 539 0.872 -18.946 8.730 1.00 4.43 H new ATOM 0 HE1 TYR A 539 -1.334 -22.369 11.490 1.00 3.23 H new ATOM 0 HE2 TYR A 539 0.967 -21.316 8.068 1.00 30.33 H new ATOM 0 HH TYR A 539 0.370 -23.410 8.552 1.00 1.23 H new ATOM 599 N LYS A 540 -0.318 -18.048 13.975 1.00 73.03 N ATOM 600 CA LYS A 540 -0.461 -18.913 15.114 1.00 21.03 C ATOM 601 C LYS A 540 -1.904 -19.046 15.544 1.00 45.13 C ATOM 602 O LYS A 540 -2.744 -18.179 15.228 1.00 64.51 O ATOM 603 CB LYS A 540 0.481 -18.530 16.294 1.00 33.35 C ATOM 604 CG LYS A 540 0.467 -17.079 16.811 1.00 63.43 C ATOM 605 CD LYS A 540 -0.874 -16.646 17.381 1.00 35.24 C ATOM 606 CE LYS A 540 -0.737 -15.420 18.266 1.00 23.02 C ATOM 607 NZ LYS A 540 -0.107 -14.259 17.594 1.00 45.15 N ATOM 0 H LYS A 540 -1.029 -17.319 13.913 1.00 73.03 H new ATOM 0 HA LYS A 540 -0.135 -19.901 14.789 1.00 21.03 H new ATOM 0 HB2 LYS A 540 0.241 -19.182 17.134 1.00 33.35 H new ATOM 0 HB3 LYS A 540 1.502 -18.763 15.991 1.00 33.35 H new ATOM 0 HG2 LYS A 540 1.231 -16.970 17.580 1.00 63.43 H new ATOM 0 HG3 LYS A 540 0.738 -16.409 15.995 1.00 63.43 H new ATOM 0 HD2 LYS A 540 -1.564 -16.431 16.565 1.00 35.24 H new ATOM 0 HD3 LYS A 540 -1.306 -17.464 17.957 1.00 35.24 H new ATOM 0 HE2 LYS A 540 -1.725 -15.129 18.621 1.00 23.02 H new ATOM 0 HE3 LYS A 540 -0.147 -15.683 19.144 1.00 23.02 H new ATOM 0 HZ1 LYS A 540 0.833 -14.088 18.005 1.00 45.15 H new ATOM 0 HZ2 LYS A 540 -0.010 -14.457 16.578 1.00 45.15 H new ATOM 0 HZ3 LYS A 540 -0.701 -13.416 17.728 1.00 45.15 H new ATOM 621 N THR A 541 -2.204 -20.128 16.213 1.00 62.14 N ATOM 622 CA THR A 541 -3.500 -20.337 16.768 1.00 5.02 C ATOM 623 C THR A 541 -3.626 -19.554 18.060 1.00 22.23 C ATOM 624 O THR A 541 -2.623 -19.224 18.699 1.00 64.13 O ATOM 625 CB THR A 541 -3.743 -21.838 17.037 1.00 52.01 C ATOM 626 OG1 THR A 541 -2.606 -22.399 17.729 1.00 14.42 O ATOM 627 CG2 THR A 541 -3.996 -22.600 15.736 1.00 71.22 C ATOM 0 H THR A 541 -1.547 -20.889 16.385 1.00 62.14 H new ATOM 0 HA THR A 541 -4.249 -19.991 16.055 1.00 5.02 H new ATOM 0 HB THR A 541 -4.632 -21.935 17.660 1.00 52.01 H new ATOM 0 HG1 THR A 541 -2.657 -22.171 18.681 1.00 14.42 H new ATOM 0 HG21 THR A 541 -4.164 -23.654 15.958 1.00 71.22 H new ATOM 0 HG22 THR A 541 -4.875 -22.190 15.239 1.00 71.22 H new ATOM 0 HG23 THR A 541 -3.130 -22.500 15.082 1.00 71.22 H new ATOM 635 N ILE A 542 -4.816 -19.206 18.397 1.00 44.31 N ATOM 636 CA ILE A 542 -5.097 -18.533 19.618 1.00 32.22 C ATOM 637 C ILE A 542 -5.991 -19.426 20.424 1.00 52.42 C ATOM 638 O ILE A 542 -7.137 -19.718 20.017 1.00 32.14 O ATOM 639 CB ILE A 542 -5.796 -17.183 19.373 1.00 44.53 C ATOM 640 CG1 ILE A 542 -4.901 -16.265 18.535 1.00 32.01 C ATOM 641 CG2 ILE A 542 -6.184 -16.509 20.698 1.00 74.42 C ATOM 642 CD1 ILE A 542 -5.547 -14.958 18.142 1.00 25.12 C ATOM 0 H ILE A 542 -5.639 -19.384 17.822 1.00 44.31 H new ATOM 0 HA ILE A 542 -4.165 -18.323 20.142 1.00 32.22 H new ATOM 0 HB ILE A 542 -6.715 -17.372 18.818 1.00 44.53 H new ATOM 0 HG12 ILE A 542 -3.991 -16.053 19.096 1.00 32.01 H new ATOM 0 HG13 ILE A 542 -4.602 -16.795 17.631 1.00 32.01 H new ATOM 0 HG21 ILE A 542 -6.675 -15.558 20.492 1.00 74.42 H new ATOM 0 HG22 ILE A 542 -6.864 -17.157 21.250 1.00 74.42 H new ATOM 0 HG23 ILE A 542 -5.288 -16.333 21.293 1.00 74.42 H new ATOM 0 HD11 ILE A 542 -4.846 -14.369 17.551 1.00 25.12 H new ATOM 0 HD12 ILE A 542 -6.441 -15.157 17.551 1.00 25.12 H new ATOM 0 HD13 ILE A 542 -5.821 -14.403 19.039 1.00 25.12 H new ATOM 654 N GLU A 543 -5.474 -19.886 21.514 1.00 63.11 N ATOM 655 CA GLU A 543 -6.182 -20.764 22.378 1.00 52.54 C ATOM 656 C GLU A 543 -7.062 -19.931 23.311 1.00 75.40 C ATOM 657 O GLU A 543 -6.714 -18.792 23.652 1.00 65.15 O ATOM 658 CB GLU A 543 -5.214 -21.637 23.203 1.00 45.02 C ATOM 659 CG GLU A 543 -4.231 -22.535 22.410 1.00 52.24 C ATOM 660 CD GLU A 543 -3.123 -21.796 21.657 1.00 34.00 C ATOM 661 OE1 GLU A 543 -2.276 -21.127 22.319 1.00 34.41 O ATOM 662 OE2 GLU A 543 -3.029 -21.918 20.415 1.00 54.33 O ATOM 0 H GLU A 543 -4.532 -19.658 21.833 1.00 63.11 H new ATOM 0 HA GLU A 543 -6.798 -21.432 21.777 1.00 52.54 H new ATOM 0 HB2 GLU A 543 -4.629 -20.980 23.847 1.00 45.02 H new ATOM 0 HB3 GLU A 543 -5.807 -22.277 23.856 1.00 45.02 H new ATOM 0 HG2 GLU A 543 -3.769 -23.238 23.103 1.00 52.24 H new ATOM 0 HG3 GLU A 543 -4.803 -23.124 21.693 1.00 52.24 H new ATOM 669 N GLY A 544 -8.195 -20.465 23.685 1.00 71.44 N ATOM 670 CA GLY A 544 -9.079 -19.760 24.586 1.00 34.21 C ATOM 671 C GLY A 544 -10.337 -20.540 24.847 1.00 71.32 C ATOM 672 O GLY A 544 -10.370 -21.398 25.725 1.00 73.41 O ATOM 0 H GLY A 544 -8.529 -21.380 23.384 1.00 71.44 H new ATOM 0 HA2 GLY A 544 -8.565 -19.571 25.528 1.00 34.21 H new ATOM 0 HA3 GLY A 544 -9.333 -18.789 24.162 1.00 34.21 H new ATOM 676 N THR A 545 -11.354 -20.283 24.045 1.00 43.33 N ATOM 677 CA THR A 545 -12.634 -20.967 24.142 1.00 64.42 C ATOM 678 C THR A 545 -12.571 -22.396 23.569 1.00 32.11 C ATOM 679 O THR A 545 -13.556 -23.145 23.581 1.00 74.04 O ATOM 680 CB THR A 545 -13.710 -20.121 23.461 1.00 34.42 C ATOM 681 OG1 THR A 545 -13.095 -19.374 22.381 1.00 44.54 O ATOM 682 CG2 THR A 545 -14.338 -19.164 24.457 1.00 41.23 C ATOM 0 H THR A 545 -11.316 -19.587 23.300 1.00 43.33 H new ATOM 0 HA THR A 545 -12.893 -21.082 25.195 1.00 64.42 H new ATOM 0 HB THR A 545 -14.493 -20.771 23.070 1.00 34.42 H new ATOM 0 HG1 THR A 545 -12.701 -19.997 21.735 1.00 44.54 H new ATOM 0 HG21 THR A 545 -15.102 -18.569 23.957 1.00 41.23 H new ATOM 0 HG22 THR A 545 -14.793 -19.731 25.269 1.00 41.23 H new ATOM 0 HG23 THR A 545 -13.570 -18.504 24.861 1.00 41.23 H new ATOM 690 N ALA A 546 -11.419 -22.725 23.055 1.00 20.31 N ATOM 691 CA ALA A 546 -11.055 -24.034 22.616 1.00 0.42 C ATOM 692 C ALA A 546 -9.598 -24.155 22.959 1.00 0.12 C ATOM 693 O ALA A 546 -8.860 -23.154 22.857 1.00 31.01 O ATOM 694 CB ALA A 546 -11.280 -24.212 21.122 1.00 25.23 C ATOM 0 H ALA A 546 -10.670 -22.045 22.926 1.00 20.31 H new ATOM 0 HA ALA A 546 -11.662 -24.803 23.093 1.00 0.42 H new ATOM 0 HB1 ALA A 546 -10.991 -25.221 20.828 1.00 25.23 H new ATOM 0 HB2 ALA A 546 -12.334 -24.055 20.891 1.00 25.23 H new ATOM 0 HB3 ALA A 546 -10.677 -23.488 20.574 1.00 25.23 H new ATOM 700 N ARG A 547 -9.185 -25.295 23.396 1.00 14.10 N ATOM 701 CA ARG A 547 -7.842 -25.482 23.873 1.00 22.13 C ATOM 702 C ARG A 547 -6.977 -26.212 22.890 1.00 50.43 C ATOM 703 O ARG A 547 -7.428 -27.125 22.162 1.00 32.40 O ATOM 704 CB ARG A 547 -7.856 -26.244 25.182 1.00 14.51 C ATOM 705 CG ARG A 547 -8.631 -25.555 26.266 1.00 22.24 C ATOM 706 CD ARG A 547 -8.690 -26.405 27.505 1.00 35.45 C ATOM 707 NE ARG A 547 -9.637 -25.889 28.490 1.00 14.10 N ATOM 708 CZ ARG A 547 -10.418 -26.662 29.257 1.00 14.42 C ATOM 709 NH1 ARG A 547 -10.397 -27.990 29.121 1.00 42.12 N ATOM 710 NH2 ARG A 547 -11.223 -26.110 30.146 1.00 11.21 N ATOM 0 H ARG A 547 -9.766 -26.133 23.436 1.00 14.10 H new ATOM 0 HA ARG A 547 -7.418 -24.488 24.016 1.00 22.13 H new ATOM 0 HB2 ARG A 547 -8.283 -27.233 25.013 1.00 14.51 H new ATOM 0 HB3 ARG A 547 -6.830 -26.393 25.518 1.00 14.51 H new ATOM 0 HG2 ARG A 547 -8.166 -24.597 26.499 1.00 22.24 H new ATOM 0 HG3 ARG A 547 -9.642 -25.342 25.917 1.00 22.24 H new ATOM 0 HD2 ARG A 547 -8.972 -27.422 27.232 1.00 35.45 H new ATOM 0 HD3 ARG A 547 -7.698 -26.459 27.953 1.00 35.45 H new ATOM 0 HE ARG A 547 -9.708 -24.878 28.601 1.00 14.10 H new ATOM 0 HH11 ARG A 547 -9.784 -28.422 28.430 1.00 42.12 H new ATOM 0 HH12 ARG A 547 -10.994 -28.572 29.708 1.00 42.12 H new ATOM 0 HH21 ARG A 547 -11.250 -25.096 30.249 1.00 11.21 H new ATOM 0 HH22 ARG A 547 -11.818 -26.698 30.730 1.00 11.21 H new ATOM 724 N GLY A 548 -5.739 -25.831 22.884 1.00 63.25 N ATOM 725 CA GLY A 548 -4.765 -26.472 22.071 1.00 23.21 C ATOM 726 C GLY A 548 -4.143 -27.609 22.839 1.00 11.21 C ATOM 727 O GLY A 548 -4.764 -28.164 23.750 1.00 1.32 O ATOM 0 H GLY A 548 -5.377 -25.062 23.448 1.00 63.25 H new ATOM 0 HA2 GLY A 548 -5.227 -26.845 21.157 1.00 23.21 H new ATOM 0 HA3 GLY A 548 -3.998 -25.758 21.772 1.00 23.21 H new ATOM 731 N GLY A 549 -2.940 -27.951 22.515 1.00 22.44 N ATOM 732 CA GLY A 549 -2.275 -29.056 23.167 1.00 0.24 C ATOM 733 C GLY A 549 -2.756 -30.378 22.635 1.00 65.24 C ATOM 734 O GLY A 549 -2.395 -31.435 23.151 1.00 1.54 O ATOM 0 H GLY A 549 -2.385 -27.484 21.798 1.00 22.44 H new ATOM 0 HA2 GLY A 549 -1.198 -28.973 23.019 1.00 0.24 H new ATOM 0 HA3 GLY A 549 -2.454 -29.008 24.241 1.00 0.24 H new ATOM 738 N GLY A 550 -3.540 -30.318 21.571 1.00 41.52 N ATOM 739 CA GLY A 550 -4.136 -31.499 21.026 1.00 33.34 C ATOM 740 C GLY A 550 -5.345 -31.910 21.838 1.00 73.05 C ATOM 741 O GLY A 550 -5.660 -33.099 21.943 1.00 73.10 O ATOM 0 H GLY A 550 -3.771 -29.457 21.076 1.00 41.52 H new ATOM 0 HA2 GLY A 550 -4.430 -31.320 19.992 1.00 33.34 H new ATOM 0 HA3 GLY A 550 -3.407 -32.309 21.015 1.00 33.34 H new ATOM 745 N GLU A 551 -6.006 -30.929 22.439 1.00 61.24 N ATOM 746 CA GLU A 551 -7.173 -31.197 23.252 1.00 12.33 C ATOM 747 C GLU A 551 -8.438 -30.982 22.424 1.00 41.40 C ATOM 748 O GLU A 551 -9.222 -31.905 22.228 1.00 22.21 O ATOM 749 CB GLU A 551 -7.163 -30.320 24.505 1.00 22.12 C ATOM 750 CG GLU A 551 -8.142 -30.768 25.578 1.00 64.11 C ATOM 751 CD GLU A 551 -8.013 -29.978 26.853 1.00 62.43 C ATOM 752 OE1 GLU A 551 -6.885 -29.885 27.406 1.00 2.45 O ATOM 753 OE2 GLU A 551 -9.030 -29.480 27.364 1.00 12.03 O ATOM 0 H GLU A 551 -5.750 -29.944 22.376 1.00 61.24 H new ATOM 0 HA GLU A 551 -7.155 -32.236 23.581 1.00 12.33 H new ATOM 0 HB2 GLU A 551 -6.157 -30.314 24.924 1.00 22.12 H new ATOM 0 HB3 GLU A 551 -7.396 -29.294 24.220 1.00 22.12 H new ATOM 0 HG2 GLU A 551 -9.159 -30.672 25.198 1.00 64.11 H new ATOM 0 HG3 GLU A 551 -7.980 -31.824 25.793 1.00 64.11 H new ATOM 760 N ASP A 552 -8.632 -29.766 21.942 1.00 51.14 N ATOM 761 CA ASP A 552 -9.763 -29.474 21.052 1.00 43.45 C ATOM 762 C ASP A 552 -9.254 -29.377 19.650 1.00 71.32 C ATOM 763 O ASP A 552 -9.833 -29.918 18.711 1.00 71.10 O ATOM 764 CB ASP A 552 -10.487 -28.163 21.411 1.00 42.43 C ATOM 765 CG ASP A 552 -11.138 -28.177 22.764 1.00 21.45 C ATOM 766 OD1 ASP A 552 -12.030 -28.975 22.991 1.00 72.42 O ATOM 767 OD2 ASP A 552 -10.761 -27.380 23.628 1.00 21.10 O ATOM 0 H ASP A 552 -8.032 -28.966 22.144 1.00 51.14 H new ATOM 0 HA ASP A 552 -10.485 -30.283 21.163 1.00 43.45 H new ATOM 0 HB2 ASP A 552 -9.771 -27.342 21.372 1.00 42.43 H new ATOM 0 HB3 ASP A 552 -11.246 -27.960 20.656 1.00 42.43 H new ATOM 772 N PHE A 553 -8.151 -28.705 19.503 1.00 12.24 N ATOM 773 CA PHE A 553 -7.542 -28.558 18.222 1.00 30.43 C ATOM 774 C PHE A 553 -6.063 -28.799 18.352 1.00 65.44 C ATOM 775 O PHE A 553 -5.505 -28.725 19.469 1.00 43.41 O ATOM 776 CB PHE A 553 -7.845 -27.178 17.589 1.00 34.02 C ATOM 777 CG PHE A 553 -7.280 -25.984 18.319 1.00 15.00 C ATOM 778 CD1 PHE A 553 -7.997 -25.362 19.323 1.00 24.21 C ATOM 779 CD2 PHE A 553 -6.039 -25.475 17.979 1.00 62.24 C ATOM 780 CE1 PHE A 553 -7.485 -24.257 19.969 1.00 25.34 C ATOM 781 CE2 PHE A 553 -5.524 -24.379 18.624 1.00 51.13 C ATOM 782 CZ PHE A 553 -6.248 -23.767 19.619 1.00 62.11 C ATOM 0 H PHE A 553 -7.653 -28.247 20.266 1.00 12.24 H new ATOM 0 HA PHE A 553 -7.967 -29.298 17.544 1.00 30.43 H new ATOM 0 HB2 PHE A 553 -7.458 -27.174 16.570 1.00 34.02 H new ATOM 0 HB3 PHE A 553 -8.926 -27.060 17.520 1.00 34.02 H new ATOM 0 HD1 PHE A 553 -8.967 -25.745 19.604 1.00 24.21 H new ATOM 0 HD2 PHE A 553 -5.467 -25.948 17.194 1.00 62.24 H new ATOM 0 HE1 PHE A 553 -8.055 -23.776 20.750 1.00 25.34 H new ATOM 0 HE2 PHE A 553 -4.551 -23.998 18.350 1.00 51.13 H new ATOM 0 HZ PHE A 553 -5.846 -22.902 20.126 1.00 62.11 H new ATOM 792 N GLU A 554 -5.446 -29.136 17.260 1.00 63.43 N ATOM 793 CA GLU A 554 -4.041 -29.376 17.235 1.00 61.41 C ATOM 794 C GLU A 554 -3.346 -28.029 17.072 1.00 1.32 C ATOM 795 O GLU A 554 -3.806 -27.180 16.300 1.00 5.51 O ATOM 796 CB GLU A 554 -3.693 -30.280 16.065 1.00 12.41 C ATOM 797 CG GLU A 554 -2.437 -31.073 16.275 1.00 70.10 C ATOM 798 CD GLU A 554 -1.947 -31.798 15.049 1.00 14.14 C ATOM 799 OE1 GLU A 554 -1.246 -31.198 14.221 1.00 71.24 O ATOM 800 OE2 GLU A 554 -2.216 -33.003 14.917 1.00 50.53 O ATOM 0 H GLU A 554 -5.908 -29.252 16.358 1.00 63.43 H new ATOM 0 HA GLU A 554 -3.719 -29.865 18.155 1.00 61.41 H new ATOM 0 HB2 GLU A 554 -4.521 -30.966 15.887 1.00 12.41 H new ATOM 0 HB3 GLU A 554 -3.584 -29.673 15.167 1.00 12.41 H new ATOM 0 HG2 GLU A 554 -1.652 -30.402 16.623 1.00 70.10 H new ATOM 0 HG3 GLU A 554 -2.609 -31.801 17.068 1.00 70.10 H new ATOM 807 N ASP A 555 -2.275 -27.830 17.796 1.00 43.04 N ATOM 808 CA ASP A 555 -1.558 -26.555 17.776 1.00 32.14 C ATOM 809 C ASP A 555 -0.844 -26.403 16.483 1.00 53.32 C ATOM 810 O ASP A 555 -0.002 -27.253 16.129 1.00 10.43 O ATOM 811 CB ASP A 555 -0.504 -26.478 18.878 1.00 61.52 C ATOM 812 CG ASP A 555 -1.037 -26.762 20.229 1.00 31.31 C ATOM 813 OD1 ASP A 555 -1.477 -25.841 20.935 1.00 21.00 O ATOM 814 OD2 ASP A 555 -1.019 -27.935 20.620 1.00 4.54 O ATOM 0 H ASP A 555 -1.868 -28.532 18.415 1.00 43.04 H new ATOM 0 HA ASP A 555 -2.301 -25.771 17.924 1.00 32.14 H new ATOM 0 HB2 ASP A 555 0.294 -27.186 18.655 1.00 61.52 H new ATOM 0 HB3 ASP A 555 -0.058 -25.483 18.874 1.00 61.52 H new ATOM 819 N THR A 556 -1.154 -25.368 15.769 1.00 54.12 N ATOM 820 CA THR A 556 -0.470 -25.101 14.565 1.00 32.11 C ATOM 821 C THR A 556 -0.013 -23.662 14.556 1.00 12.11 C ATOM 822 O THR A 556 -0.667 -22.767 15.130 1.00 60.12 O ATOM 823 CB THR A 556 -1.295 -25.442 13.284 1.00 73.10 C ATOM 824 OG1 THR A 556 -0.453 -25.375 12.119 1.00 14.40 O ATOM 825 CG2 THR A 556 -2.456 -24.492 13.094 1.00 71.53 C ATOM 0 H THR A 556 -1.883 -24.696 16.009 1.00 54.12 H new ATOM 0 HA THR A 556 0.394 -25.764 14.532 1.00 32.11 H new ATOM 0 HB THR A 556 -1.686 -26.451 13.414 1.00 73.10 H new ATOM 0 HG1 THR A 556 -0.980 -25.592 11.322 1.00 14.40 H new ATOM 0 HG21 THR A 556 -3.004 -24.763 12.192 1.00 71.53 H new ATOM 0 HG22 THR A 556 -3.121 -24.553 13.955 1.00 71.53 H new ATOM 0 HG23 THR A 556 -2.081 -23.473 12.998 1.00 71.53 H new ATOM 833 N CYS A 557 1.102 -23.463 13.958 1.00 73.32 N ATOM 834 CA CYS A 557 1.729 -22.198 13.824 1.00 63.13 C ATOM 835 C CYS A 557 2.821 -22.357 12.817 1.00 72.35 C ATOM 836 O CYS A 557 3.300 -23.480 12.598 1.00 15.15 O ATOM 837 CB CYS A 557 2.266 -21.701 15.180 1.00 15.34 C ATOM 838 SG CYS A 557 3.192 -22.935 16.127 1.00 32.32 S ATOM 0 H CYS A 557 1.632 -24.219 13.524 1.00 73.32 H new ATOM 0 HA CYS A 557 1.017 -21.443 13.489 1.00 63.13 H new ATOM 0 HB2 CYS A 557 2.910 -20.839 15.006 1.00 15.34 H new ATOM 0 HB3 CYS A 557 1.426 -21.356 15.783 1.00 15.34 H new ATOM 0 HG CYS A 557 3.597 -22.410 17.245 1.00 32.32 H new ATOM 844 N GLY A 558 3.193 -21.305 12.183 1.00 72.34 N ATOM 845 CA GLY A 558 4.190 -21.401 11.191 1.00 1.34 C ATOM 846 C GLY A 558 4.209 -20.188 10.362 1.00 43.33 C ATOM 847 O GLY A 558 3.771 -19.126 10.814 1.00 52.23 O ATOM 0 H GLY A 558 2.819 -20.368 12.336 1.00 72.34 H new ATOM 0 HA2 GLY A 558 5.164 -21.544 11.659 1.00 1.34 H new ATOM 0 HA3 GLY A 558 4.005 -22.274 10.565 1.00 1.34 H new ATOM 851 N GLU A 559 4.653 -20.330 9.153 1.00 63.31 N ATOM 852 CA GLU A 559 4.817 -19.223 8.265 1.00 34.24 C ATOM 853 C GLU A 559 4.372 -19.600 6.854 1.00 72.44 C ATOM 854 O GLU A 559 4.704 -20.676 6.346 1.00 60.55 O ATOM 855 CB GLU A 559 6.281 -18.757 8.283 1.00 50.21 C ATOM 856 CG GLU A 559 6.732 -18.116 9.603 1.00 24.30 C ATOM 857 CD GLU A 559 8.204 -17.773 9.633 1.00 2.41 C ATOM 858 OE1 GLU A 559 9.012 -18.664 9.948 1.00 34.15 O ATOM 859 OE2 GLU A 559 8.582 -16.607 9.347 1.00 71.13 O ATOM 0 H GLU A 559 4.915 -21.230 8.750 1.00 63.31 H new ATOM 0 HA GLU A 559 4.189 -18.397 8.599 1.00 34.24 H new ATOM 0 HB2 GLU A 559 6.923 -19.612 8.072 1.00 50.21 H new ATOM 0 HB3 GLU A 559 6.430 -18.039 7.476 1.00 50.21 H new ATOM 0 HG2 GLU A 559 6.152 -17.209 9.775 1.00 24.30 H new ATOM 0 HG3 GLU A 559 6.509 -18.797 10.424 1.00 24.30 H new ATOM 866 N LEU A 560 3.596 -18.740 6.254 1.00 30.31 N ATOM 867 CA LEU A 560 3.102 -18.926 4.907 1.00 34.45 C ATOM 868 C LEU A 560 3.971 -18.167 3.946 1.00 31.24 C ATOM 869 O LEU A 560 4.376 -17.031 4.233 1.00 4.45 O ATOM 870 CB LEU A 560 1.671 -18.421 4.801 1.00 24.44 C ATOM 871 CG LEU A 560 0.633 -19.156 5.637 1.00 23.13 C ATOM 872 CD1 LEU A 560 -0.718 -18.494 5.507 1.00 31.25 C ATOM 873 CD2 LEU A 560 0.557 -20.619 5.226 1.00 71.22 C ATOM 0 H LEU A 560 3.281 -17.874 6.690 1.00 30.31 H new ATOM 0 HA LEU A 560 3.125 -19.988 4.664 1.00 34.45 H new ATOM 0 HB2 LEU A 560 1.657 -17.369 5.086 1.00 24.44 H new ATOM 0 HB3 LEU A 560 1.367 -18.472 3.756 1.00 24.44 H new ATOM 0 HG LEU A 560 0.936 -19.110 6.683 1.00 23.13 H new ATOM 0 HD11 LEU A 560 -1.447 -19.033 6.112 1.00 31.25 H new ATOM 0 HD12 LEU A 560 -0.652 -17.462 5.852 1.00 31.25 H new ATOM 0 HD13 LEU A 560 -1.031 -18.508 4.463 1.00 31.25 H new ATOM 0 HD21 LEU A 560 -0.190 -21.129 5.834 1.00 71.22 H new ATOM 0 HD22 LEU A 560 0.278 -20.688 4.175 1.00 71.22 H new ATOM 0 HD23 LEU A 560 1.529 -21.090 5.375 1.00 71.22 H new ATOM 885 N GLU A 561 4.275 -18.773 2.835 1.00 44.34 N ATOM 886 CA GLU A 561 5.108 -18.143 1.862 1.00 12.31 C ATOM 887 C GLU A 561 4.266 -17.532 0.745 1.00 45.11 C ATOM 888 O GLU A 561 3.568 -18.233 0.019 1.00 34.21 O ATOM 889 CB GLU A 561 6.113 -19.143 1.297 1.00 2.02 C ATOM 890 CG GLU A 561 7.209 -18.500 0.471 1.00 42.52 C ATOM 891 CD GLU A 561 8.165 -19.494 -0.129 1.00 33.22 C ATOM 892 OE1 GLU A 561 7.728 -20.380 -0.868 1.00 11.14 O ATOM 893 OE2 GLU A 561 9.381 -19.391 0.116 1.00 21.42 O ATOM 0 H GLU A 561 3.955 -19.708 2.583 1.00 44.34 H new ATOM 0 HA GLU A 561 5.659 -17.338 2.348 1.00 12.31 H new ATOM 0 HB2 GLU A 561 6.566 -19.695 2.121 1.00 2.02 H new ATOM 0 HB3 GLU A 561 5.583 -19.869 0.680 1.00 2.02 H new ATOM 0 HG2 GLU A 561 6.755 -17.915 -0.329 1.00 42.52 H new ATOM 0 HG3 GLU A 561 7.766 -17.804 1.098 1.00 42.52 H new ATOM 900 N PHE A 562 4.312 -16.237 0.637 1.00 11.13 N ATOM 901 CA PHE A 562 3.634 -15.532 -0.415 1.00 13.52 C ATOM 902 C PHE A 562 4.663 -14.943 -1.338 1.00 12.01 C ATOM 903 O PHE A 562 5.747 -14.546 -0.908 1.00 20.23 O ATOM 904 CB PHE A 562 2.719 -14.434 0.132 1.00 74.34 C ATOM 905 CG PHE A 562 1.497 -14.941 0.845 1.00 72.54 C ATOM 906 CD1 PHE A 562 1.524 -15.212 2.200 1.00 32.32 C ATOM 907 CD2 PHE A 562 0.313 -15.131 0.152 1.00 3.11 C ATOM 908 CE1 PHE A 562 0.395 -15.664 2.851 1.00 71.25 C ATOM 909 CE2 PHE A 562 -0.819 -15.581 0.797 1.00 1.41 C ATOM 910 CZ PHE A 562 -0.777 -15.847 2.148 1.00 63.31 C ATOM 0 H PHE A 562 4.825 -15.634 1.280 1.00 11.13 H new ATOM 0 HA PHE A 562 2.999 -16.235 -0.955 1.00 13.52 H new ATOM 0 HB2 PHE A 562 3.291 -13.809 0.818 1.00 74.34 H new ATOM 0 HB3 PHE A 562 2.404 -13.796 -0.694 1.00 74.34 H new ATOM 0 HD1 PHE A 562 2.439 -15.068 2.755 1.00 32.32 H new ATOM 0 HD2 PHE A 562 0.276 -14.924 -0.907 1.00 3.11 H new ATOM 0 HE1 PHE A 562 0.429 -15.874 3.910 1.00 71.25 H new ATOM 0 HE2 PHE A 562 -1.736 -15.725 0.245 1.00 1.41 H new ATOM 0 HZ PHE A 562 -1.662 -16.199 2.657 1.00 63.31 H new ATOM 920 N GLN A 563 4.363 -14.902 -2.592 1.00 64.50 N ATOM 921 CA GLN A 563 5.281 -14.402 -3.575 1.00 43.33 C ATOM 922 C GLN A 563 4.502 -13.747 -4.662 1.00 1.42 C ATOM 923 O GLN A 563 3.284 -13.650 -4.580 1.00 3.12 O ATOM 924 CB GLN A 563 6.124 -15.544 -4.199 1.00 15.21 C ATOM 925 CG GLN A 563 6.963 -16.325 -3.220 1.00 73.23 C ATOM 926 CD GLN A 563 7.893 -17.294 -3.886 1.00 24.15 C ATOM 927 OE1 GLN A 563 7.548 -18.448 -4.119 1.00 33.30 O ATOM 928 NE2 GLN A 563 9.065 -16.834 -4.220 1.00 40.12 N ATOM 0 H GLN A 563 3.470 -15.215 -2.973 1.00 64.50 H new ATOM 0 HA GLN A 563 5.956 -13.699 -3.087 1.00 43.33 H new ATOM 0 HB2 GLN A 563 5.452 -16.234 -4.710 1.00 15.21 H new ATOM 0 HB3 GLN A 563 6.780 -15.118 -4.958 1.00 15.21 H new ATOM 0 HG2 GLN A 563 7.544 -15.630 -2.614 1.00 73.23 H new ATOM 0 HG3 GLN A 563 6.307 -16.869 -2.541 1.00 73.23 H new ATOM 0 HE21 GLN A 563 9.313 -15.868 -4.008 1.00 40.12 H new ATOM 0 HE22 GLN A 563 9.735 -17.440 -4.694 1.00 40.12 H new ATOM 937 N ASN A 564 5.200 -13.309 -5.667 1.00 2.11 N ATOM 938 CA ASN A 564 4.588 -12.796 -6.874 1.00 33.11 C ATOM 939 C ASN A 564 3.908 -13.961 -7.607 1.00 55.05 C ATOM 940 O ASN A 564 2.871 -13.802 -8.256 1.00 53.43 O ATOM 941 CB ASN A 564 5.647 -12.122 -7.792 1.00 21.05 C ATOM 942 CG ASN A 564 6.821 -13.035 -8.188 1.00 13.05 C ATOM 943 OD1 ASN A 564 7.236 -13.925 -7.424 1.00 25.33 O ATOM 944 ND2 ASN A 564 7.359 -12.824 -9.356 1.00 33.54 N ATOM 0 H ASN A 564 6.220 -13.294 -5.680 1.00 2.11 H new ATOM 0 HA ASN A 564 3.850 -12.037 -6.613 1.00 33.11 H new ATOM 0 HB2 ASN A 564 5.153 -11.772 -8.699 1.00 21.05 H new ATOM 0 HB3 ASN A 564 6.042 -11.242 -7.284 1.00 21.05 H new ATOM 0 HD21 ASN A 564 8.144 -13.397 -9.667 1.00 33.54 H new ATOM 0 HD22 ASN A 564 6.995 -12.086 -9.959 1.00 33.54 H new ATOM 951 N ASP A 565 4.508 -15.140 -7.450 1.00 21.30 N ATOM 952 CA ASP A 565 4.026 -16.380 -8.051 1.00 25.44 C ATOM 953 C ASP A 565 2.946 -17.041 -7.193 1.00 30.44 C ATOM 954 O ASP A 565 1.977 -17.583 -7.715 1.00 32.24 O ATOM 955 CB ASP A 565 5.187 -17.349 -8.259 1.00 0.04 C ATOM 956 CG ASP A 565 4.762 -18.617 -8.959 1.00 52.33 C ATOM 957 OD1 ASP A 565 4.550 -18.582 -10.181 1.00 61.43 O ATOM 958 OD2 ASP A 565 4.657 -19.669 -8.312 1.00 30.50 O ATOM 0 H ASP A 565 5.354 -15.261 -6.894 1.00 21.30 H new ATOM 0 HA ASP A 565 3.583 -16.129 -9.015 1.00 25.44 H new ATOM 0 HB2 ASP A 565 5.965 -16.858 -8.843 1.00 0.04 H new ATOM 0 HB3 ASP A 565 5.624 -17.600 -7.293 1.00 0.04 H new ATOM 963 N GLU A 566 3.112 -16.986 -5.888 1.00 74.03 N ATOM 964 CA GLU A 566 2.156 -17.566 -4.974 1.00 73.33 C ATOM 965 C GLU A 566 0.926 -16.710 -4.864 1.00 34.44 C ATOM 966 O GLU A 566 1.022 -15.506 -4.615 1.00 41.04 O ATOM 967 CB GLU A 566 2.764 -17.734 -3.601 1.00 61.41 C ATOM 968 CG GLU A 566 3.722 -18.885 -3.476 1.00 34.34 C ATOM 969 CD GLU A 566 3.031 -20.201 -3.703 1.00 31.20 C ATOM 970 OE1 GLU A 566 2.295 -20.665 -2.803 1.00 11.22 O ATOM 971 OE2 GLU A 566 3.201 -20.801 -4.770 1.00 51.41 O ATOM 0 H GLU A 566 3.910 -16.540 -5.435 1.00 74.03 H new ATOM 0 HA GLU A 566 1.877 -18.542 -5.370 1.00 73.33 H new ATOM 0 HB2 GLU A 566 3.285 -16.815 -3.334 1.00 61.41 H new ATOM 0 HB3 GLU A 566 1.961 -17.867 -2.876 1.00 61.41 H new ATOM 0 HG2 GLU A 566 4.530 -18.768 -4.198 1.00 34.34 H new ATOM 0 HG3 GLU A 566 4.176 -18.877 -2.485 1.00 34.34 H new ATOM 978 N ILE A 567 -0.210 -17.324 -5.025 1.00 15.32 N ATOM 979 CA ILE A 567 -1.464 -16.622 -4.944 1.00 41.45 C ATOM 980 C ILE A 567 -2.013 -16.607 -3.524 1.00 11.11 C ATOM 981 O ILE A 567 -1.971 -15.585 -2.851 1.00 55.40 O ATOM 982 CB ILE A 567 -2.543 -17.150 -5.938 1.00 32.10 C ATOM 983 CG1 ILE A 567 -2.534 -18.691 -6.029 1.00 4.45 C ATOM 984 CG2 ILE A 567 -2.350 -16.526 -7.311 1.00 21.22 C ATOM 985 CD1 ILE A 567 -3.818 -19.274 -6.549 1.00 52.30 C ATOM 0 H ILE A 567 -0.297 -18.322 -5.216 1.00 15.32 H new ATOM 0 HA ILE A 567 -1.237 -15.599 -5.243 1.00 41.45 H new ATOM 0 HB ILE A 567 -3.519 -16.855 -5.554 1.00 32.10 H new ATOM 0 HG12 ILE A 567 -1.715 -19.003 -6.677 1.00 4.45 H new ATOM 0 HG13 ILE A 567 -2.333 -19.103 -5.040 1.00 4.45 H new ATOM 0 HG21 ILE A 567 -3.111 -16.905 -7.993 1.00 21.22 H new ATOM 0 HG22 ILE A 567 -2.439 -15.442 -7.234 1.00 21.22 H new ATOM 0 HG23 ILE A 567 -1.361 -16.783 -7.692 1.00 21.22 H new ATOM 0 HD11 ILE A 567 -3.736 -20.360 -6.585 1.00 52.30 H new ATOM 0 HD12 ILE A 567 -4.639 -18.993 -5.889 1.00 52.30 H new ATOM 0 HD13 ILE A 567 -4.012 -18.892 -7.551 1.00 52.30 H new ATOM 997 N VAL A 568 -2.484 -17.727 -3.060 1.00 32.05 N ATOM 998 CA VAL A 568 -3.069 -17.790 -1.773 1.00 4.55 C ATOM 999 C VAL A 568 -2.489 -18.954 -0.985 1.00 42.45 C ATOM 1000 O VAL A 568 -2.024 -19.946 -1.557 1.00 53.45 O ATOM 1001 CB VAL A 568 -4.626 -17.887 -1.882 1.00 3.02 C ATOM 1002 CG1 VAL A 568 -5.098 -19.175 -2.519 1.00 42.42 C ATOM 1003 CG2 VAL A 568 -5.289 -17.705 -0.561 1.00 54.33 C ATOM 0 H VAL A 568 -2.469 -18.612 -3.567 1.00 32.05 H new ATOM 0 HA VAL A 568 -2.834 -16.873 -1.233 1.00 4.55 H new ATOM 0 HB VAL A 568 -4.918 -17.068 -2.539 1.00 3.02 H new ATOM 0 HG11 VAL A 568 -6.187 -19.180 -2.565 1.00 42.42 H new ATOM 0 HG12 VAL A 568 -4.692 -19.252 -3.527 1.00 42.42 H new ATOM 0 HG13 VAL A 568 -4.756 -20.022 -1.924 1.00 42.42 H new ATOM 0 HG21 VAL A 568 -6.370 -17.780 -0.683 1.00 54.33 H new ATOM 0 HG22 VAL A 568 -4.947 -18.478 0.127 1.00 54.33 H new ATOM 0 HG23 VAL A 568 -5.036 -16.724 -0.159 1.00 54.33 H new ATOM 1013 N LYS A 569 -2.428 -18.794 0.300 1.00 74.12 N ATOM 1014 CA LYS A 569 -1.996 -19.832 1.171 1.00 45.51 C ATOM 1015 C LYS A 569 -3.085 -20.155 2.133 1.00 13.24 C ATOM 1016 O LYS A 569 -3.959 -19.314 2.406 1.00 13.30 O ATOM 1017 CB LYS A 569 -0.766 -19.417 1.932 1.00 74.53 C ATOM 1018 CG LYS A 569 0.478 -19.253 1.093 1.00 73.31 C ATOM 1019 CD LYS A 569 1.368 -20.494 1.076 1.00 52.12 C ATOM 1020 CE LYS A 569 0.756 -21.688 0.333 1.00 42.30 C ATOM 1021 NZ LYS A 569 0.408 -21.392 -1.085 1.00 41.22 N ATOM 0 H LYS A 569 -2.681 -17.928 0.775 1.00 74.12 H new ATOM 0 HA LYS A 569 -1.754 -20.709 0.571 1.00 45.51 H new ATOM 0 HB2 LYS A 569 -0.971 -18.474 2.439 1.00 74.53 H new ATOM 0 HB3 LYS A 569 -0.569 -20.158 2.706 1.00 74.53 H new ATOM 0 HG2 LYS A 569 0.188 -19.009 0.071 1.00 73.31 H new ATOM 0 HG3 LYS A 569 1.053 -18.408 1.471 1.00 73.31 H new ATOM 0 HD2 LYS A 569 2.321 -20.239 0.612 1.00 52.12 H new ATOM 0 HD3 LYS A 569 1.583 -20.789 2.103 1.00 52.12 H new ATOM 0 HE2 LYS A 569 1.458 -22.521 0.360 1.00 42.30 H new ATOM 0 HE3 LYS A 569 -0.142 -22.011 0.859 1.00 42.30 H new ATOM 0 HZ1 LYS A 569 0.259 -22.284 -1.599 1.00 41.22 H new ATOM 0 HZ2 LYS A 569 -0.463 -20.824 -1.118 1.00 41.22 H new ATOM 0 HZ3 LYS A 569 1.184 -20.861 -1.529 1.00 41.22 H new ATOM 1035 N THR A 570 -3.035 -21.333 2.640 1.00 24.02 N ATOM 1036 CA THR A 570 -4.013 -21.808 3.575 1.00 31.52 C ATOM 1037 C THR A 570 -3.410 -22.187 4.909 1.00 35.34 C ATOM 1038 O THR A 570 -2.259 -22.648 4.990 1.00 43.33 O ATOM 1039 CB THR A 570 -4.780 -23.016 3.012 1.00 5.21 C ATOM 1040 OG1 THR A 570 -3.883 -23.900 2.308 1.00 42.20 O ATOM 1041 CG2 THR A 570 -5.915 -22.582 2.115 1.00 23.43 C ATOM 0 H THR A 570 -2.306 -22.012 2.420 1.00 24.02 H new ATOM 0 HA THR A 570 -4.699 -20.977 3.735 1.00 31.52 H new ATOM 0 HB THR A 570 -5.214 -23.557 3.853 1.00 5.21 H new ATOM 0 HG1 THR A 570 -4.175 -24.827 2.430 1.00 42.20 H new ATOM 0 HG21 THR A 570 -6.435 -23.461 1.735 1.00 23.43 H new ATOM 0 HG22 THR A 570 -6.612 -21.965 2.683 1.00 23.43 H new ATOM 0 HG23 THR A 570 -5.518 -22.006 1.279 1.00 23.43 H new ATOM 1049 N ILE A 571 -4.180 -21.982 5.947 1.00 13.34 N ATOM 1050 CA ILE A 571 -3.818 -22.427 7.267 1.00 34.33 C ATOM 1051 C ILE A 571 -4.465 -23.768 7.453 1.00 51.22 C ATOM 1052 O ILE A 571 -5.669 -23.892 7.273 1.00 52.31 O ATOM 1053 CB ILE A 571 -4.293 -21.458 8.424 1.00 74.05 C ATOM 1054 CG1 ILE A 571 -3.498 -20.150 8.468 1.00 13.53 C ATOM 1055 CG2 ILE A 571 -4.216 -22.136 9.781 1.00 13.02 C ATOM 1056 CD1 ILE A 571 -3.729 -19.229 7.322 1.00 63.42 C ATOM 0 H ILE A 571 -5.078 -21.500 5.900 1.00 13.34 H new ATOM 0 HA ILE A 571 -2.731 -22.458 7.335 1.00 34.33 H new ATOM 0 HB ILE A 571 -5.331 -21.214 8.196 1.00 74.05 H new ATOM 0 HG12 ILE A 571 -3.744 -19.625 9.391 1.00 13.53 H new ATOM 0 HG13 ILE A 571 -2.436 -20.390 8.512 1.00 13.53 H new ATOM 0 HG21 ILE A 571 -4.549 -21.443 10.553 1.00 13.02 H new ATOM 0 HG22 ILE A 571 -4.857 -23.018 9.784 1.00 13.02 H new ATOM 0 HG23 ILE A 571 -3.187 -22.434 9.981 1.00 13.02 H new ATOM 0 HD11 ILE A 571 -3.121 -18.333 7.447 1.00 63.42 H new ATOM 0 HD12 ILE A 571 -3.453 -19.728 6.393 1.00 63.42 H new ATOM 0 HD13 ILE A 571 -4.782 -18.950 7.286 1.00 63.42 H new ATOM 1068 N SER A 572 -3.671 -24.756 7.735 1.00 54.11 N ATOM 1069 CA SER A 572 -4.150 -26.088 7.950 1.00 40.51 C ATOM 1070 C SER A 572 -4.161 -26.378 9.439 1.00 50.13 C ATOM 1071 O SER A 572 -3.117 -26.325 10.095 1.00 62.14 O ATOM 1072 CB SER A 572 -3.238 -27.053 7.215 1.00 23.45 C ATOM 1073 OG SER A 572 -3.129 -26.657 5.855 1.00 13.42 O ATOM 0 H SER A 572 -2.660 -24.659 7.823 1.00 54.11 H new ATOM 0 HA SER A 572 -5.165 -26.201 7.570 1.00 40.51 H new ATOM 0 HB2 SER A 572 -2.253 -27.066 7.681 1.00 23.45 H new ATOM 0 HB3 SER A 572 -3.635 -28.066 7.279 1.00 23.45 H new ATOM 0 HG SER A 572 -2.539 -27.278 5.380 1.00 13.42 H new ATOM 1079 N VAL A 573 -5.335 -26.612 9.973 1.00 51.40 N ATOM 1080 CA VAL A 573 -5.487 -26.922 11.387 1.00 50.11 C ATOM 1081 C VAL A 573 -6.107 -28.293 11.530 1.00 71.22 C ATOM 1082 O VAL A 573 -7.128 -28.591 10.885 1.00 12.51 O ATOM 1083 CB VAL A 573 -6.379 -25.877 12.143 1.00 73.34 C ATOM 1084 CG1 VAL A 573 -6.547 -26.234 13.616 1.00 23.02 C ATOM 1085 CG2 VAL A 573 -5.795 -24.493 12.034 1.00 65.55 C ATOM 0 H VAL A 573 -6.211 -26.595 9.450 1.00 51.40 H new ATOM 0 HA VAL A 573 -4.494 -26.891 11.835 1.00 50.11 H new ATOM 0 HB VAL A 573 -7.359 -25.898 11.667 1.00 73.34 H new ATOM 0 HG11 VAL A 573 -7.171 -25.485 14.103 1.00 23.02 H new ATOM 0 HG12 VAL A 573 -7.020 -27.212 13.702 1.00 23.02 H new ATOM 0 HG13 VAL A 573 -5.570 -26.260 14.098 1.00 23.02 H new ATOM 0 HG21 VAL A 573 -6.432 -23.786 12.566 1.00 65.55 H new ATOM 0 HG22 VAL A 573 -4.797 -24.484 12.472 1.00 65.55 H new ATOM 0 HG23 VAL A 573 -5.733 -24.206 10.984 1.00 65.55 H new ATOM 1095 N LYS A 574 -5.478 -29.127 12.321 1.00 10.44 N ATOM 1096 CA LYS A 574 -5.977 -30.435 12.624 1.00 75.54 C ATOM 1097 C LYS A 574 -6.974 -30.325 13.760 1.00 54.31 C ATOM 1098 O LYS A 574 -6.667 -29.772 14.824 1.00 23.04 O ATOM 1099 CB LYS A 574 -4.813 -31.360 13.016 1.00 54.22 C ATOM 1100 CG LYS A 574 -5.205 -32.769 13.458 1.00 23.21 C ATOM 1101 CD LYS A 574 -5.773 -33.561 12.310 1.00 50.15 C ATOM 1102 CE LYS A 574 -6.211 -34.952 12.723 1.00 75.40 C ATOM 1103 NZ LYS A 574 -5.096 -35.752 13.264 1.00 55.51 N ATOM 0 H LYS A 574 -4.592 -28.908 12.777 1.00 10.44 H new ATOM 0 HA LYS A 574 -6.471 -30.859 11.749 1.00 75.54 H new ATOM 0 HB2 LYS A 574 -4.136 -31.441 12.166 1.00 54.22 H new ATOM 0 HB3 LYS A 574 -4.255 -30.888 13.824 1.00 54.22 H new ATOM 0 HG2 LYS A 574 -4.332 -33.283 13.861 1.00 23.21 H new ATOM 0 HG3 LYS A 574 -5.939 -32.710 14.261 1.00 23.21 H new ATOM 0 HD2 LYS A 574 -6.624 -33.026 11.890 1.00 50.15 H new ATOM 0 HD3 LYS A 574 -5.025 -33.639 11.521 1.00 50.15 H new ATOM 0 HE2 LYS A 574 -6.998 -34.875 13.473 1.00 75.40 H new ATOM 0 HE3 LYS A 574 -6.640 -35.466 11.863 1.00 75.40 H new ATOM 0 HZ1 LYS A 574 -5.399 -36.741 13.374 1.00 55.51 H new ATOM 0 HZ2 LYS A 574 -4.288 -35.708 12.610 1.00 55.51 H new ATOM 0 HZ3 LYS A 574 -4.813 -35.372 14.190 1.00 55.51 H new ATOM 1117 N VAL A 575 -8.155 -30.803 13.534 1.00 65.11 N ATOM 1118 CA VAL A 575 -9.164 -30.775 14.550 1.00 72.23 C ATOM 1119 C VAL A 575 -9.142 -32.101 15.292 1.00 33.11 C ATOM 1120 O VAL A 575 -9.176 -33.182 14.667 1.00 51.21 O ATOM 1121 CB VAL A 575 -10.572 -30.501 13.962 1.00 65.31 C ATOM 1122 CG1 VAL A 575 -11.605 -30.407 15.072 1.00 1.32 C ATOM 1123 CG2 VAL A 575 -10.573 -29.222 13.131 1.00 53.34 C ATOM 0 H VAL A 575 -8.448 -31.220 12.651 1.00 65.11 H new ATOM 0 HA VAL A 575 -8.948 -29.957 15.237 1.00 72.23 H new ATOM 0 HB VAL A 575 -10.834 -31.335 13.311 1.00 65.31 H new ATOM 0 HG11 VAL A 575 -12.587 -30.214 14.640 1.00 1.32 H new ATOM 0 HG12 VAL A 575 -11.630 -31.345 15.626 1.00 1.32 H new ATOM 0 HG13 VAL A 575 -11.340 -29.594 15.748 1.00 1.32 H new ATOM 0 HG21 VAL A 575 -11.571 -29.050 12.729 1.00 53.34 H new ATOM 0 HG22 VAL A 575 -10.285 -28.379 13.760 1.00 53.34 H new ATOM 0 HG23 VAL A 575 -9.863 -29.321 12.310 1.00 53.34 H new ATOM 1133 N ILE A 576 -9.048 -32.027 16.591 1.00 70.53 N ATOM 1134 CA ILE A 576 -8.984 -33.198 17.429 1.00 1.54 C ATOM 1135 C ILE A 576 -10.405 -33.723 17.646 1.00 64.10 C ATOM 1136 O ILE A 576 -11.360 -32.952 17.604 1.00 71.41 O ATOM 1137 CB ILE A 576 -8.318 -32.839 18.798 1.00 41.24 C ATOM 1138 CG1 ILE A 576 -6.945 -32.172 18.580 1.00 70.44 C ATOM 1139 CG2 ILE A 576 -8.179 -34.050 19.710 1.00 15.20 C ATOM 1140 CD1 ILE A 576 -5.936 -33.002 17.806 1.00 14.13 C ATOM 0 H ILE A 576 -9.013 -31.146 17.104 1.00 70.53 H new ATOM 0 HA ILE A 576 -8.381 -33.968 16.949 1.00 1.54 H new ATOM 0 HB ILE A 576 -8.981 -32.132 19.296 1.00 41.24 H new ATOM 0 HG12 ILE A 576 -7.097 -31.230 18.053 1.00 70.44 H new ATOM 0 HG13 ILE A 576 -6.520 -31.928 19.553 1.00 70.44 H new ATOM 0 HG21 ILE A 576 -7.711 -33.748 20.647 1.00 15.20 H new ATOM 0 HG22 ILE A 576 -9.165 -34.467 19.914 1.00 15.20 H new ATOM 0 HG23 ILE A 576 -7.561 -34.804 19.222 1.00 15.20 H new ATOM 0 HD11 ILE A 576 -5.005 -32.444 17.707 1.00 14.13 H new ATOM 0 HD12 ILE A 576 -5.746 -33.934 18.339 1.00 14.13 H new ATOM 0 HD13 ILE A 576 -6.332 -33.225 16.815 1.00 14.13 H new ATOM 1278 N LYS A 585 -16.956 -25.421 20.374 1.00 13.13 N ATOM 1279 CA LYS A 585 -15.564 -25.041 20.464 1.00 30.33 C ATOM 1280 C LYS A 585 -15.198 -24.069 19.380 1.00 73.50 C ATOM 1281 O LYS A 585 -15.604 -24.211 18.248 1.00 1.32 O ATOM 1282 CB LYS A 585 -14.670 -26.285 20.410 1.00 54.33 C ATOM 1283 CG LYS A 585 -14.961 -27.290 21.516 1.00 12.22 C ATOM 1284 CD LYS A 585 -14.725 -26.684 22.893 1.00 23.25 C ATOM 1285 CE LYS A 585 -15.150 -27.626 24.001 1.00 12.10 C ATOM 1286 NZ LYS A 585 -14.439 -28.907 23.955 1.00 41.53 N ATOM 0 HA LYS A 585 -15.406 -24.543 21.420 1.00 30.33 H new ATOM 0 HB2 LYS A 585 -14.798 -26.773 19.444 1.00 54.33 H new ATOM 0 HB3 LYS A 585 -13.627 -25.976 20.476 1.00 54.33 H new ATOM 0 HG2 LYS A 585 -15.994 -27.630 21.438 1.00 12.22 H new ATOM 0 HG3 LYS A 585 -14.326 -28.167 21.389 1.00 12.22 H new ATOM 0 HD2 LYS A 585 -13.669 -26.441 23.007 1.00 23.25 H new ATOM 0 HD3 LYS A 585 -15.278 -25.749 22.979 1.00 23.25 H new ATOM 0 HE2 LYS A 585 -14.972 -27.150 24.965 1.00 12.10 H new ATOM 0 HE3 LYS A 585 -16.222 -27.807 23.928 1.00 12.10 H new ATOM 0 HZ1 LYS A 585 -14.039 -29.116 24.892 1.00 41.53 H new ATOM 0 HZ2 LYS A 585 -15.101 -29.662 23.685 1.00 41.53 H new ATOM 0 HZ3 LYS A 585 -13.671 -28.853 23.255 1.00 41.53 H new ATOM 1300 N THR A 586 -14.459 -23.067 19.740 1.00 52.14 N ATOM 1301 CA THR A 586 -14.053 -22.070 18.812 1.00 23.13 C ATOM 1302 C THR A 586 -12.746 -21.445 19.278 1.00 70.31 C ATOM 1303 O THR A 586 -12.562 -21.180 20.473 1.00 41.53 O ATOM 1304 CB THR A 586 -15.180 -20.994 18.601 1.00 12.02 C ATOM 1305 OG1 THR A 586 -14.768 -19.983 17.681 1.00 60.23 O ATOM 1306 CG2 THR A 586 -15.601 -20.346 19.906 1.00 61.01 C ATOM 0 H THR A 586 -14.121 -22.921 20.691 1.00 52.14 H new ATOM 0 HA THR A 586 -13.884 -22.534 17.840 1.00 23.13 H new ATOM 0 HB THR A 586 -16.037 -21.526 18.188 1.00 12.02 H new ATOM 0 HG1 THR A 586 -14.152 -20.370 17.024 1.00 60.23 H new ATOM 0 HG21 THR A 586 -16.381 -19.610 19.712 1.00 61.01 H new ATOM 0 HG22 THR A 586 -15.983 -21.109 20.584 1.00 61.01 H new ATOM 0 HG23 THR A 586 -14.742 -19.853 20.361 1.00 61.01 H new ATOM 1314 N PHE A 587 -11.838 -21.271 18.359 1.00 32.13 N ATOM 1315 CA PHE A 587 -10.553 -20.689 18.636 1.00 10.20 C ATOM 1316 C PHE A 587 -10.322 -19.591 17.638 1.00 2.15 C ATOM 1317 O PHE A 587 -11.153 -19.382 16.747 1.00 11.45 O ATOM 1318 CB PHE A 587 -9.424 -21.740 18.566 1.00 44.22 C ATOM 1319 CG PHE A 587 -9.194 -22.367 17.209 1.00 72.12 C ATOM 1320 CD1 PHE A 587 -9.985 -23.409 16.760 1.00 31.03 C ATOM 1321 CD2 PHE A 587 -8.168 -21.919 16.396 1.00 30.21 C ATOM 1322 CE1 PHE A 587 -9.755 -23.984 15.528 1.00 12.21 C ATOM 1323 CE2 PHE A 587 -7.939 -22.490 15.167 1.00 43.11 C ATOM 1324 CZ PHE A 587 -8.732 -23.523 14.732 1.00 71.23 C ATOM 0 H PHE A 587 -11.971 -21.533 17.382 1.00 32.13 H new ATOM 0 HA PHE A 587 -10.543 -20.291 19.651 1.00 10.20 H new ATOM 0 HB2 PHE A 587 -8.495 -21.271 18.891 1.00 44.22 H new ATOM 0 HB3 PHE A 587 -9.647 -22.534 19.279 1.00 44.22 H new ATOM 0 HD1 PHE A 587 -10.790 -23.776 17.380 1.00 31.03 H new ATOM 0 HD2 PHE A 587 -7.538 -21.109 16.732 1.00 30.21 H new ATOM 0 HE1 PHE A 587 -10.379 -24.797 15.188 1.00 12.21 H new ATOM 0 HE2 PHE A 587 -7.136 -22.126 14.544 1.00 43.11 H new ATOM 0 HZ PHE A 587 -8.553 -23.973 13.767 1.00 71.23 H new ATOM 1334 N PHE A 588 -9.227 -18.911 17.741 1.00 13.24 N ATOM 1335 CA PHE A 588 -8.976 -17.828 16.852 1.00 62.15 C ATOM 1336 C PHE A 588 -7.675 -18.071 16.150 1.00 32.44 C ATOM 1337 O PHE A 588 -6.833 -18.814 16.643 1.00 70.44 O ATOM 1338 CB PHE A 588 -8.969 -16.482 17.601 1.00 43.51 C ATOM 1339 CG PHE A 588 -10.226 -16.212 18.373 1.00 1.14 C ATOM 1340 CD1 PHE A 588 -10.370 -16.670 19.681 1.00 21.42 C ATOM 1341 CD2 PHE A 588 -11.265 -15.512 17.798 1.00 75.32 C ATOM 1342 CE1 PHE A 588 -11.526 -16.428 20.382 1.00 55.20 C ATOM 1343 CE2 PHE A 588 -12.424 -15.269 18.499 1.00 43.10 C ATOM 1344 CZ PHE A 588 -12.555 -15.725 19.790 1.00 64.04 C ATOM 0 H PHE A 588 -8.495 -19.086 18.430 1.00 13.24 H new ATOM 0 HA PHE A 588 -9.776 -17.771 16.114 1.00 62.15 H new ATOM 0 HB2 PHE A 588 -8.122 -16.463 18.286 1.00 43.51 H new ATOM 0 HB3 PHE A 588 -8.816 -15.677 16.882 1.00 43.51 H new ATOM 0 HD1 PHE A 588 -9.566 -17.220 20.147 1.00 21.42 H new ATOM 0 HD2 PHE A 588 -11.168 -15.150 16.785 1.00 75.32 H new ATOM 0 HE1 PHE A 588 -11.629 -16.787 21.395 1.00 55.20 H new ATOM 0 HE2 PHE A 588 -13.231 -14.720 18.036 1.00 43.10 H new ATOM 0 HZ PHE A 588 -13.464 -15.533 20.341 1.00 64.04 H new ATOM 1354 N LEU A 589 -7.529 -17.512 15.003 1.00 53.32 N ATOM 1355 CA LEU A 589 -6.314 -17.638 14.256 1.00 23.40 C ATOM 1356 C LEU A 589 -5.838 -16.231 13.986 1.00 45.03 C ATOM 1357 O LEU A 589 -6.632 -15.382 13.585 1.00 21.12 O ATOM 1358 CB LEU A 589 -6.592 -18.363 12.917 1.00 31.14 C ATOM 1359 CG LEU A 589 -5.480 -19.266 12.335 1.00 13.21 C ATOM 1360 CD1 LEU A 589 -4.150 -18.556 12.193 1.00 53.24 C ATOM 1361 CD2 LEU A 589 -5.330 -20.515 13.161 1.00 10.33 C ATOM 0 H LEU A 589 -8.248 -16.950 14.547 1.00 53.32 H new ATOM 0 HA LEU A 589 -5.568 -18.215 14.802 1.00 23.40 H new ATOM 0 HB2 LEU A 589 -7.484 -18.975 13.048 1.00 31.14 H new ATOM 0 HB3 LEU A 589 -6.831 -17.605 12.171 1.00 31.14 H new ATOM 0 HG LEU A 589 -5.794 -19.536 11.327 1.00 13.21 H new ATOM 0 HD11 LEU A 589 -3.413 -19.244 11.779 1.00 53.24 H new ATOM 0 HD12 LEU A 589 -4.263 -17.701 11.526 1.00 53.24 H new ATOM 0 HD13 LEU A 589 -3.816 -18.211 13.171 1.00 53.24 H new ATOM 0 HD21 LEU A 589 -4.543 -21.139 12.737 1.00 10.33 H new ATOM 0 HD22 LEU A 589 -5.068 -20.245 14.184 1.00 10.33 H new ATOM 0 HD23 LEU A 589 -6.270 -21.066 13.161 1.00 10.33 H new ATOM 1373 N GLU A 590 -4.598 -15.963 14.243 1.00 32.03 N ATOM 1374 CA GLU A 590 -4.054 -14.670 13.960 1.00 3.54 C ATOM 1375 C GLU A 590 -2.815 -14.817 13.121 1.00 53.22 C ATOM 1376 O GLU A 590 -2.012 -15.736 13.327 1.00 32.10 O ATOM 1377 CB GLU A 590 -3.741 -13.905 15.243 1.00 15.20 C ATOM 1378 CG GLU A 590 -3.153 -12.520 15.016 1.00 72.51 C ATOM 1379 CD GLU A 590 -2.765 -11.844 16.291 1.00 41.14 C ATOM 1380 OE1 GLU A 590 -1.723 -12.216 16.874 1.00 50.23 O ATOM 1381 OE2 GLU A 590 -3.479 -10.917 16.742 1.00 12.15 O ATOM 0 H GLU A 590 -3.938 -16.625 14.651 1.00 32.03 H new ATOM 0 HA GLU A 590 -4.799 -14.096 13.409 1.00 3.54 H new ATOM 0 HB2 GLU A 590 -4.656 -13.808 15.827 1.00 15.20 H new ATOM 0 HB3 GLU A 590 -3.042 -14.491 15.841 1.00 15.20 H new ATOM 0 HG2 GLU A 590 -2.278 -12.602 14.372 1.00 72.51 H new ATOM 0 HG3 GLU A 590 -3.880 -11.903 14.489 1.00 72.51 H new ATOM 1388 N ILE A 591 -2.686 -13.950 12.162 1.00 63.04 N ATOM 1389 CA ILE A 591 -1.526 -13.900 11.332 1.00 1.23 C ATOM 1390 C ILE A 591 -0.704 -12.694 11.735 1.00 34.24 C ATOM 1391 O ILE A 591 -1.265 -11.634 12.113 1.00 30.12 O ATOM 1392 CB ILE A 591 -1.873 -13.877 9.812 1.00 75.01 C ATOM 1393 CG1 ILE A 591 -2.848 -12.736 9.480 1.00 3.52 C ATOM 1394 CG2 ILE A 591 -2.452 -15.221 9.389 1.00 25.52 C ATOM 1395 CD1 ILE A 591 -3.249 -12.646 8.017 1.00 53.40 C ATOM 0 H ILE A 591 -3.393 -13.251 11.934 1.00 63.04 H new ATOM 0 HA ILE A 591 -0.948 -14.812 11.481 1.00 1.23 H new ATOM 0 HB ILE A 591 -0.954 -13.697 9.254 1.00 75.01 H new ATOM 0 HG12 ILE A 591 -3.748 -12.859 10.082 1.00 3.52 H new ATOM 0 HG13 ILE A 591 -2.393 -11.791 9.776 1.00 3.52 H new ATOM 0 HG21 ILE A 591 -2.691 -15.196 8.326 1.00 25.52 H new ATOM 0 HG22 ILE A 591 -1.721 -16.008 9.578 1.00 25.52 H new ATOM 0 HG23 ILE A 591 -3.358 -15.423 9.960 1.00 25.52 H new ATOM 0 HD11 ILE A 591 -3.938 -11.812 7.879 1.00 53.40 H new ATOM 0 HD12 ILE A 591 -2.361 -12.488 7.405 1.00 53.40 H new ATOM 0 HD13 ILE A 591 -3.737 -13.573 7.716 1.00 53.40 H new ATOM 1407 N GLY A 592 0.584 -12.858 11.725 1.00 52.12 N ATOM 1408 CA GLY A 592 1.475 -11.816 12.139 1.00 72.14 C ATOM 1409 C GLY A 592 1.789 -10.889 11.006 1.00 41.35 C ATOM 1410 O GLY A 592 1.296 -11.085 9.887 1.00 34.34 O ATOM 0 H GLY A 592 1.047 -13.717 11.430 1.00 52.12 H new ATOM 0 HA2 GLY A 592 1.026 -11.254 12.958 1.00 72.14 H new ATOM 0 HA3 GLY A 592 2.398 -12.253 12.521 1.00 72.14 H new ATOM 1414 N GLU A 593 2.590 -9.890 11.274 1.00 73.52 N ATOM 1415 CA GLU A 593 2.959 -8.948 10.257 1.00 45.40 C ATOM 1416 C GLU A 593 3.890 -9.589 9.248 1.00 73.11 C ATOM 1417 O GLU A 593 4.835 -10.306 9.623 1.00 10.32 O ATOM 1418 CB GLU A 593 3.556 -7.677 10.846 1.00 11.21 C ATOM 1419 CG GLU A 593 2.555 -6.863 11.636 1.00 21.11 C ATOM 1420 CD GLU A 593 3.139 -5.587 12.178 1.00 60.40 C ATOM 1421 OE1 GLU A 593 3.121 -4.569 11.476 1.00 41.14 O ATOM 1422 OE2 GLU A 593 3.626 -5.581 13.339 1.00 71.02 O ATOM 0 H GLU A 593 2.998 -9.710 12.191 1.00 73.52 H new ATOM 0 HA GLU A 593 2.049 -8.651 9.735 1.00 45.40 H new ATOM 0 HB2 GLU A 593 4.392 -7.941 11.493 1.00 11.21 H new ATOM 0 HB3 GLU A 593 3.958 -7.064 10.040 1.00 11.21 H new ATOM 0 HG2 GLU A 593 1.703 -6.625 10.999 1.00 21.11 H new ATOM 0 HG3 GLU A 593 2.177 -7.464 12.463 1.00 21.11 H new ATOM 1429 N PRO A 594 3.617 -9.364 7.962 1.00 34.30 N ATOM 1430 CA PRO A 594 4.384 -9.943 6.871 1.00 13.03 C ATOM 1431 C PRO A 594 5.845 -9.502 6.900 1.00 34.34 C ATOM 1432 O PRO A 594 6.175 -8.387 7.321 1.00 30.44 O ATOM 1433 CB PRO A 594 3.688 -9.417 5.610 1.00 60.33 C ATOM 1434 CG PRO A 594 2.919 -8.236 6.061 1.00 74.23 C ATOM 1435 CD PRO A 594 2.537 -8.498 7.475 1.00 53.32 C ATOM 0 HA PRO A 594 4.410 -11.031 6.927 1.00 13.03 H new ATOM 0 HB2 PRO A 594 4.413 -9.146 4.843 1.00 60.33 H new ATOM 0 HB3 PRO A 594 3.033 -10.173 5.177 1.00 60.33 H new ATOM 0 HG2 PRO A 594 3.519 -7.329 5.982 1.00 74.23 H new ATOM 0 HG3 PRO A 594 2.035 -8.088 5.441 1.00 74.23 H new ATOM 0 HD2 PRO A 594 2.471 -7.575 8.051 1.00 53.32 H new ATOM 0 HD3 PRO A 594 1.566 -8.988 7.545 1.00 53.32 H new ATOM 1443 N ARG A 595 6.709 -10.370 6.479 1.00 3.42 N ATOM 1444 CA ARG A 595 8.109 -10.099 6.484 1.00 45.32 C ATOM 1445 C ARG A 595 8.669 -10.290 5.085 1.00 2.43 C ATOM 1446 O ARG A 595 8.436 -11.327 4.440 1.00 53.23 O ATOM 1447 CB ARG A 595 8.799 -10.995 7.535 1.00 71.22 C ATOM 1448 CG ARG A 595 8.702 -12.487 7.258 1.00 43.04 C ATOM 1449 CD ARG A 595 8.930 -13.326 8.505 1.00 43.20 C ATOM 1450 NE ARG A 595 10.126 -12.941 9.243 1.00 1.52 N ATOM 1451 CZ ARG A 595 10.577 -13.572 10.329 1.00 43.22 C ATOM 1452 NH1 ARG A 595 10.095 -14.768 10.680 1.00 51.24 N ATOM 1453 NH2 ARG A 595 11.552 -13.026 11.034 1.00 43.21 N ATOM 0 H ARG A 595 6.460 -11.292 6.120 1.00 3.42 H new ATOM 0 HA ARG A 595 8.301 -9.064 6.766 1.00 45.32 H new ATOM 0 HB2 ARG A 595 9.851 -10.718 7.595 1.00 71.22 H new ATOM 0 HB3 ARG A 595 8.360 -10.791 8.512 1.00 71.22 H new ATOM 0 HG2 ARG A 595 7.719 -12.714 6.846 1.00 43.04 H new ATOM 0 HG3 ARG A 595 9.436 -12.761 6.500 1.00 43.04 H new ATOM 0 HD2 ARG A 595 8.063 -13.237 9.159 1.00 43.20 H new ATOM 0 HD3 ARG A 595 9.008 -14.375 8.220 1.00 43.20 H new ATOM 0 HE ARG A 595 10.654 -12.135 8.907 1.00 1.52 H new ATOM 0 HH11 ARG A 595 9.371 -15.212 10.115 1.00 51.24 H new ATOM 0 HH12 ARG A 595 10.451 -15.237 11.513 1.00 51.24 H new ATOM 0 HH21 ARG A 595 11.951 -12.132 10.746 1.00 43.21 H new ATOM 0 HH22 ARG A 595 11.906 -13.498 11.866 1.00 43.21 H new ATOM 1467 N LEU A 596 9.318 -9.268 4.583 1.00 23.13 N ATOM 1468 CA LEU A 596 9.913 -9.307 3.280 1.00 1.35 C ATOM 1469 C LEU A 596 11.125 -10.207 3.356 1.00 75.13 C ATOM 1470 O LEU A 596 11.964 -10.054 4.253 1.00 44.52 O ATOM 1471 CB LEU A 596 10.310 -7.873 2.860 1.00 21.23 C ATOM 1472 CG LEU A 596 10.550 -7.585 1.357 1.00 25.24 C ATOM 1473 CD1 LEU A 596 11.816 -8.228 0.829 1.00 22.51 C ATOM 1474 CD2 LEU A 596 9.358 -8.050 0.559 1.00 44.14 C ATOM 0 H LEU A 596 9.446 -8.383 5.074 1.00 23.13 H new ATOM 0 HA LEU A 596 9.217 -9.695 2.536 1.00 1.35 H new ATOM 0 HB2 LEU A 596 9.528 -7.197 3.207 1.00 21.23 H new ATOM 0 HB3 LEU A 596 11.221 -7.610 3.398 1.00 21.23 H new ATOM 0 HG LEU A 596 10.679 -6.508 1.249 1.00 25.24 H new ATOM 0 HD11 LEU A 596 11.931 -7.991 -0.229 1.00 22.51 H new ATOM 0 HD12 LEU A 596 12.675 -7.847 1.381 1.00 22.51 H new ATOM 0 HD13 LEU A 596 11.754 -9.309 0.954 1.00 22.51 H new ATOM 0 HD21 LEU A 596 9.527 -7.847 -0.499 1.00 44.14 H new ATOM 0 HD22 LEU A 596 9.217 -9.121 0.705 1.00 44.14 H new ATOM 0 HD23 LEU A 596 8.467 -7.518 0.893 1.00 44.14 H new ATOM 1486 N VAL A 597 11.203 -11.142 2.456 1.00 3.20 N ATOM 1487 CA VAL A 597 12.308 -12.062 2.432 1.00 53.25 C ATOM 1488 C VAL A 597 13.468 -11.407 1.733 1.00 65.05 C ATOM 1489 O VAL A 597 13.455 -11.209 0.496 1.00 64.44 O ATOM 1490 CB VAL A 597 11.940 -13.390 1.749 1.00 52.41 C ATOM 1491 CG1 VAL A 597 13.104 -14.378 1.791 1.00 2.10 C ATOM 1492 CG2 VAL A 597 10.723 -13.980 2.420 1.00 12.24 C ATOM 0 H VAL A 597 10.510 -11.290 1.722 1.00 3.20 H new ATOM 0 HA VAL A 597 12.580 -12.306 3.459 1.00 53.25 H new ATOM 0 HB VAL A 597 11.717 -13.191 0.701 1.00 52.41 H new ATOM 0 HG11 VAL A 597 12.811 -15.306 1.300 1.00 2.10 H new ATOM 0 HG12 VAL A 597 13.963 -13.950 1.275 1.00 2.10 H new ATOM 0 HG13 VAL A 597 13.369 -14.584 2.828 1.00 2.10 H new ATOM 0 HG21 VAL A 597 10.461 -14.921 1.937 1.00 12.24 H new ATOM 0 HG22 VAL A 597 10.940 -14.161 3.473 1.00 12.24 H new ATOM 0 HG23 VAL A 597 9.888 -13.285 2.336 1.00 12.24 H new ATOM 2079 N PRO A 634 6.096 -4.970 3.092 1.00 44.44 N ATOM 2080 CA PRO A 634 4.753 -5.499 3.115 1.00 1.51 C ATOM 2081 C PRO A 634 4.139 -5.360 4.497 1.00 20.14 C ATOM 2082 O PRO A 634 4.778 -5.647 5.510 1.00 43.43 O ATOM 2083 CB PRO A 634 4.934 -6.968 2.736 1.00 34.42 C ATOM 2084 CG PRO A 634 6.331 -7.278 3.141 1.00 61.04 C ATOM 2085 CD PRO A 634 7.099 -6.028 2.878 1.00 65.32 C ATOM 0 HA PRO A 634 4.079 -4.972 2.439 1.00 1.51 H new ATOM 0 HB2 PRO A 634 4.218 -7.605 3.255 1.00 34.42 H new ATOM 0 HB3 PRO A 634 4.784 -7.125 1.668 1.00 34.42 H new ATOM 0 HG2 PRO A 634 6.383 -7.559 4.193 1.00 61.04 H new ATOM 0 HG3 PRO A 634 6.731 -8.114 2.568 1.00 61.04 H new ATOM 0 HD2 PRO A 634 7.946 -5.924 3.557 1.00 65.32 H new ATOM 0 HD3 PRO A 634 7.499 -6.006 1.864 1.00 65.32 H new ATOM 2093 N ILE A 635 2.930 -4.885 4.535 1.00 2.24 N ATOM 2094 CA ILE A 635 2.217 -4.694 5.768 1.00 34.01 C ATOM 2095 C ILE A 635 0.900 -5.435 5.682 1.00 13.22 C ATOM 2096 O ILE A 635 0.573 -6.008 4.620 1.00 30.43 O ATOM 2097 CB ILE A 635 1.961 -3.179 6.083 1.00 13.41 C ATOM 2098 CG1 ILE A 635 0.855 -2.516 5.207 1.00 42.42 C ATOM 2099 CG2 ILE A 635 3.254 -2.381 6.018 1.00 41.15 C ATOM 2100 CD1 ILE A 635 1.032 -2.648 3.732 1.00 35.34 C ATOM 0 H ILE A 635 2.403 -4.616 3.704 1.00 2.24 H new ATOM 0 HA ILE A 635 2.829 -5.085 6.581 1.00 34.01 H new ATOM 0 HB ILE A 635 1.576 -3.159 7.103 1.00 13.41 H new ATOM 0 HG12 ILE A 635 -0.107 -2.950 5.479 1.00 42.42 H new ATOM 0 HG13 ILE A 635 0.808 -1.456 5.455 1.00 42.42 H new ATOM 0 HG21 ILE A 635 3.047 -1.334 6.240 1.00 41.15 H new ATOM 0 HG22 ILE A 635 3.961 -2.774 6.748 1.00 41.15 H new ATOM 0 HG23 ILE A 635 3.682 -2.462 5.019 1.00 41.15 H new ATOM 0 HD11 ILE A 635 0.207 -2.151 3.221 1.00 35.34 H new ATOM 0 HD12 ILE A 635 1.974 -2.186 3.436 1.00 35.34 H new ATOM 0 HD13 ILE A 635 1.045 -3.703 3.460 1.00 35.34 H new ATOM 2112 N LEU A 636 0.156 -5.441 6.741 1.00 34.31 N ATOM 2113 CA LEU A 636 -1.099 -6.122 6.735 1.00 51.05 C ATOM 2114 C LEU A 636 -2.275 -5.155 6.717 1.00 73.52 C ATOM 2115 O LEU A 636 -2.089 -3.936 6.608 1.00 40.11 O ATOM 2116 CB LEU A 636 -1.185 -7.200 7.848 1.00 33.33 C ATOM 2117 CG LEU A 636 -0.711 -6.824 9.274 1.00 23.02 C ATOM 2118 CD1 LEU A 636 -1.535 -5.705 9.886 1.00 43.13 C ATOM 2119 CD2 LEU A 636 -0.748 -8.043 10.169 1.00 31.21 C ATOM 0 H LEU A 636 0.395 -4.983 7.620 1.00 34.31 H new ATOM 0 HA LEU A 636 -1.167 -6.674 5.797 1.00 51.05 H new ATOM 0 HB2 LEU A 636 -2.224 -7.524 7.918 1.00 33.33 H new ATOM 0 HB3 LEU A 636 -0.604 -8.062 7.521 1.00 33.33 H new ATOM 0 HG LEU A 636 0.312 -6.459 9.187 1.00 23.02 H new ATOM 0 HD11 LEU A 636 -1.160 -5.482 10.885 1.00 43.13 H new ATOM 0 HD12 LEU A 636 -1.459 -4.814 9.262 1.00 43.13 H new ATOM 0 HD13 LEU A 636 -2.578 -6.015 9.951 1.00 43.13 H new ATOM 0 HD21 LEU A 636 -0.413 -7.770 11.170 1.00 31.21 H new ATOM 0 HD22 LEU A 636 -1.767 -8.427 10.219 1.00 31.21 H new ATOM 0 HD23 LEU A 636 -0.090 -8.812 9.764 1.00 31.21 H new ATOM 2131 N GLY A 637 -3.470 -5.702 6.787 1.00 23.33 N ATOM 2132 CA GLY A 637 -4.661 -4.901 6.734 1.00 32.34 C ATOM 2133 C GLY A 637 -5.009 -4.255 8.058 1.00 42.02 C ATOM 2134 O GLY A 637 -4.143 -4.022 8.905 1.00 3.54 O ATOM 0 H GLY A 637 -3.636 -6.704 6.881 1.00 23.33 H new ATOM 0 HA2 GLY A 637 -4.534 -4.123 5.981 1.00 32.34 H new ATOM 0 HA3 GLY A 637 -5.495 -5.524 6.411 1.00 32.34 H new ATOM 2138 N GLU A 638 -6.269 -3.996 8.230 1.00 20.32 N ATOM 2139 CA GLU A 638 -6.790 -3.343 9.400 1.00 14.24 C ATOM 2140 C GLU A 638 -6.736 -4.288 10.601 1.00 12.24 C ATOM 2141 O GLU A 638 -6.116 -3.987 11.621 1.00 61.32 O ATOM 2142 CB GLU A 638 -8.223 -2.915 9.106 1.00 51.13 C ATOM 2143 CG GLU A 638 -8.890 -2.109 10.188 1.00 71.43 C ATOM 2144 CD GLU A 638 -10.297 -1.759 9.818 1.00 71.03 C ATOM 2145 OE1 GLU A 638 -10.507 -0.757 9.120 1.00 41.12 O ATOM 2146 OE2 GLU A 638 -11.225 -2.509 10.181 1.00 14.14 O ATOM 0 H GLU A 638 -6.985 -4.238 7.545 1.00 20.32 H new ATOM 0 HA GLU A 638 -6.190 -2.467 9.645 1.00 14.24 H new ATOM 0 HB2 GLU A 638 -8.228 -2.331 8.186 1.00 51.13 H new ATOM 0 HB3 GLU A 638 -8.820 -3.808 8.921 1.00 51.13 H new ATOM 0 HG2 GLU A 638 -8.887 -2.675 11.120 1.00 71.43 H new ATOM 0 HG3 GLU A 638 -8.321 -1.197 10.367 1.00 71.43 H new ATOM 2153 N HIS A 639 -7.364 -5.430 10.472 1.00 3.41 N ATOM 2154 CA HIS A 639 -7.374 -6.414 11.539 1.00 23.11 C ATOM 2155 C HIS A 639 -7.110 -7.761 10.975 1.00 43.52 C ATOM 2156 O HIS A 639 -7.612 -8.092 9.892 1.00 1.44 O ATOM 2157 CB HIS A 639 -8.700 -6.434 12.316 1.00 72.55 C ATOM 2158 CG HIS A 639 -8.960 -5.200 13.106 1.00 0.03 C ATOM 2159 ND1 HIS A 639 -9.735 -4.137 12.822 1.00 33.22 N flip ATOM 2160 CD2 HIS A 639 -8.377 -4.932 14.320 1.00 63.21 C flip ATOM 2161 CE1 HIS A 639 -9.638 -3.210 13.847 1.00 51.31 C flip ATOM 2162 NE2 HIS A 639 -8.804 -3.743 14.726 1.00 54.10 N flip ATOM 0 H HIS A 639 -7.879 -5.707 9.636 1.00 3.41 H new ATOM 0 HA HIS A 639 -6.591 -6.134 12.243 1.00 23.11 H new ATOM 0 HB2 HIS A 639 -9.519 -6.581 11.612 1.00 72.55 H new ATOM 0 HB3 HIS A 639 -8.701 -7.291 12.990 1.00 72.55 H new ATOM 0 HD2 HIS A 639 -7.691 -5.576 14.851 1.00 63.21 H new ATOM 0 HE1 HIS A 639 -10.137 -2.255 13.915 1.00 51.31 H new ATOM 0 HE2 HIS A 639 -8.526 -3.298 15.601 1.00 54.10 H new ATOM 2170 N THR A 640 -6.322 -8.530 11.664 1.00 14.40 N ATOM 2171 CA THR A 640 -5.994 -9.842 11.220 1.00 35.03 C ATOM 2172 C THR A 640 -6.330 -10.878 12.273 1.00 54.02 C ATOM 2173 O THR A 640 -5.603 -11.051 13.254 1.00 73.21 O ATOM 2174 CB THR A 640 -4.514 -9.944 10.778 1.00 73.31 C ATOM 2175 OG1 THR A 640 -3.631 -9.424 11.797 1.00 65.12 O ATOM 2176 CG2 THR A 640 -4.299 -9.185 9.485 1.00 10.44 C ATOM 0 H THR A 640 -5.891 -8.262 12.549 1.00 14.40 H new ATOM 0 HA THR A 640 -6.607 -10.051 10.343 1.00 35.03 H new ATOM 0 HB THR A 640 -4.283 -10.998 10.622 1.00 73.31 H new ATOM 0 HG1 THR A 640 -3.931 -9.732 12.678 1.00 65.12 H new ATOM 0 HG21 THR A 640 -3.254 -9.265 9.186 1.00 10.44 H new ATOM 0 HG22 THR A 640 -4.933 -9.607 8.705 1.00 10.44 H new ATOM 0 HG23 THR A 640 -4.555 -8.136 9.632 1.00 10.44 H new ATOM 2184 N LYS A 641 -7.455 -11.529 12.098 1.00 40.50 N ATOM 2185 CA LYS A 641 -7.890 -12.558 13.006 1.00 31.40 C ATOM 2186 C LYS A 641 -9.002 -13.324 12.345 1.00 35.23 C ATOM 2187 O LYS A 641 -9.713 -12.783 11.496 1.00 2.23 O ATOM 2188 CB LYS A 641 -8.394 -11.978 14.346 1.00 53.33 C ATOM 2189 CG LYS A 641 -8.625 -13.043 15.428 1.00 1.45 C ATOM 2190 CD LYS A 641 -9.274 -12.480 16.684 1.00 53.54 C ATOM 2191 CE LYS A 641 -10.698 -12.016 16.417 1.00 31.41 C ATOM 2192 NZ LYS A 641 -11.349 -11.512 17.630 1.00 74.42 N ATOM 0 H LYS A 641 -8.094 -11.359 11.321 1.00 40.50 H new ATOM 0 HA LYS A 641 -7.041 -13.203 13.232 1.00 31.40 H new ATOM 0 HB2 LYS A 641 -7.670 -11.250 14.713 1.00 53.33 H new ATOM 0 HB3 LYS A 641 -9.326 -11.440 14.172 1.00 53.33 H new ATOM 0 HG2 LYS A 641 -9.256 -13.834 15.023 1.00 1.45 H new ATOM 0 HG3 LYS A 641 -7.671 -13.499 15.691 1.00 1.45 H new ATOM 0 HD2 LYS A 641 -9.279 -13.241 17.464 1.00 53.54 H new ATOM 0 HD3 LYS A 641 -8.682 -11.644 17.057 1.00 53.54 H new ATOM 0 HE2 LYS A 641 -10.688 -11.233 15.659 1.00 31.41 H new ATOM 0 HE3 LYS A 641 -11.279 -12.844 16.011 1.00 31.41 H new ATOM 0 HZ1 LYS A 641 -12.317 -11.207 17.403 1.00 74.42 H new ATOM 0 HZ2 LYS A 641 -11.383 -12.266 18.345 1.00 74.42 H new ATOM 0 HZ3 LYS A 641 -10.810 -10.705 18.004 1.00 74.42 H new ATOM 2206 N LEU A 642 -9.113 -14.551 12.690 1.00 44.32 N ATOM 2207 CA LEU A 642 -10.134 -15.406 12.206 1.00 34.20 C ATOM 2208 C LEU A 642 -10.759 -16.104 13.390 1.00 2.53 C ATOM 2209 O LEU A 642 -10.045 -16.609 14.251 1.00 42.13 O ATOM 2210 CB LEU A 642 -9.511 -16.436 11.301 1.00 1.43 C ATOM 2211 CG LEU A 642 -10.447 -17.426 10.643 1.00 23.22 C ATOM 2212 CD1 LEU A 642 -11.289 -16.765 9.574 1.00 3.42 C ATOM 2213 CD2 LEU A 642 -9.648 -18.559 10.084 1.00 41.14 C ATOM 0 H LEU A 642 -8.473 -15.006 13.341 1.00 44.32 H new ATOM 0 HA LEU A 642 -10.886 -14.839 11.658 1.00 34.20 H new ATOM 0 HB2 LEU A 642 -8.965 -15.912 10.516 1.00 1.43 H new ATOM 0 HB3 LEU A 642 -8.777 -16.997 11.880 1.00 1.43 H new ATOM 0 HG LEU A 642 -11.139 -17.812 11.392 1.00 23.22 H new ATOM 0 HD11 LEU A 642 -11.950 -17.505 9.122 1.00 3.42 H new ATOM 0 HD12 LEU A 642 -11.886 -15.970 10.021 1.00 3.42 H new ATOM 0 HD13 LEU A 642 -10.639 -16.343 8.808 1.00 3.42 H new ATOM 0 HD21 LEU A 642 -10.317 -19.276 9.608 1.00 41.14 H new ATOM 0 HD22 LEU A 642 -8.942 -18.177 9.347 1.00 41.14 H new ATOM 0 HD23 LEU A 642 -9.102 -19.051 10.889 1.00 41.14 H new ATOM 2225 N GLU A 643 -12.047 -16.096 13.450 1.00 73.14 N ATOM 2226 CA GLU A 643 -12.778 -16.764 14.484 1.00 15.44 C ATOM 2227 C GLU A 643 -13.203 -18.116 13.924 1.00 21.21 C ATOM 2228 O GLU A 643 -14.063 -18.190 13.061 1.00 12.05 O ATOM 2229 CB GLU A 643 -13.981 -15.891 14.856 1.00 54.12 C ATOM 2230 CG GLU A 643 -14.790 -16.327 16.061 1.00 72.32 C ATOM 2231 CD GLU A 643 -15.861 -15.307 16.389 1.00 14.12 C ATOM 2232 OE1 GLU A 643 -15.516 -14.179 16.826 1.00 13.42 O ATOM 2233 OE2 GLU A 643 -17.054 -15.578 16.177 1.00 74.52 O ATOM 0 H GLU A 643 -12.638 -15.617 12.770 1.00 73.14 H new ATOM 0 HA GLU A 643 -12.188 -16.923 15.387 1.00 15.44 H new ATOM 0 HB2 GLU A 643 -13.624 -14.877 15.035 1.00 54.12 H new ATOM 0 HB3 GLU A 643 -14.649 -15.847 13.996 1.00 54.12 H new ATOM 0 HG2 GLU A 643 -15.251 -17.295 15.864 1.00 72.32 H new ATOM 0 HG3 GLU A 643 -14.131 -16.457 16.919 1.00 72.32 H new ATOM 2240 N VAL A 644 -12.540 -19.161 14.342 1.00 74.54 N ATOM 2241 CA VAL A 644 -12.802 -20.483 13.827 1.00 24.12 C ATOM 2242 C VAL A 644 -13.680 -21.243 14.784 1.00 61.32 C ATOM 2243 O VAL A 644 -13.276 -21.542 15.909 1.00 31.05 O ATOM 2244 CB VAL A 644 -11.507 -21.293 13.613 1.00 1.11 C ATOM 2245 CG1 VAL A 644 -11.819 -22.633 12.963 1.00 54.35 C ATOM 2246 CG2 VAL A 644 -10.515 -20.515 12.780 1.00 22.24 C ATOM 0 H VAL A 644 -11.804 -19.123 15.047 1.00 74.54 H new ATOM 0 HA VAL A 644 -13.296 -20.355 12.864 1.00 24.12 H new ATOM 0 HB VAL A 644 -11.056 -21.478 14.588 1.00 1.11 H new ATOM 0 HG11 VAL A 644 -10.894 -23.192 12.819 1.00 54.35 H new ATOM 0 HG12 VAL A 644 -12.490 -23.202 13.606 1.00 54.35 H new ATOM 0 HG13 VAL A 644 -12.296 -22.467 11.997 1.00 54.35 H new ATOM 0 HG21 VAL A 644 -9.611 -21.108 12.643 1.00 22.24 H new ATOM 0 HG22 VAL A 644 -10.953 -20.292 11.807 1.00 22.24 H new ATOM 0 HG23 VAL A 644 -10.265 -19.583 13.288 1.00 22.24 H new ATOM 2256 N ILE A 645 -14.860 -21.527 14.360 1.00 51.54 N ATOM 2257 CA ILE A 645 -15.801 -22.270 15.148 1.00 31.21 C ATOM 2258 C ILE A 645 -15.788 -23.722 14.697 1.00 44.14 C ATOM 2259 O ILE A 645 -15.919 -23.998 13.517 1.00 33.12 O ATOM 2260 CB ILE A 645 -17.207 -21.679 14.964 1.00 52.04 C ATOM 2261 CG1 ILE A 645 -17.190 -20.177 15.271 1.00 15.35 C ATOM 2262 CG2 ILE A 645 -18.201 -22.394 15.855 1.00 13.34 C ATOM 2263 CD1 ILE A 645 -18.465 -19.463 14.907 1.00 41.22 C ATOM 0 H ILE A 645 -15.212 -21.250 13.444 1.00 51.54 H new ATOM 0 HA ILE A 645 -15.527 -22.213 16.202 1.00 31.21 H new ATOM 0 HB ILE A 645 -17.515 -21.819 13.928 1.00 52.04 H new ATOM 0 HG12 ILE A 645 -16.998 -20.036 16.335 1.00 15.35 H new ATOM 0 HG13 ILE A 645 -16.361 -19.716 14.733 1.00 15.35 H new ATOM 0 HG21 ILE A 645 -19.192 -21.964 15.713 1.00 13.34 H new ATOM 0 HG22 ILE A 645 -18.225 -23.453 15.597 1.00 13.34 H new ATOM 0 HG23 ILE A 645 -17.902 -22.281 16.897 1.00 13.34 H new ATOM 0 HD11 ILE A 645 -18.373 -18.406 15.155 1.00 41.22 H new ATOM 0 HD12 ILE A 645 -18.650 -19.571 13.838 1.00 41.22 H new ATOM 0 HD13 ILE A 645 -19.296 -19.895 15.464 1.00 41.22 H new ATOM 2275 N ILE A 646 -15.603 -24.622 15.626 1.00 63.45 N ATOM 2276 CA ILE A 646 -15.564 -26.036 15.348 1.00 13.20 C ATOM 2277 C ILE A 646 -16.879 -26.645 15.796 1.00 33.51 C ATOM 2278 O ILE A 646 -17.173 -26.696 16.994 1.00 21.10 O ATOM 2279 CB ILE A 646 -14.423 -26.754 16.124 1.00 51.43 C ATOM 2280 CG1 ILE A 646 -13.063 -26.086 15.878 1.00 63.42 C ATOM 2281 CG2 ILE A 646 -14.371 -28.227 15.725 1.00 75.44 C ATOM 2282 CD1 ILE A 646 -11.938 -26.674 16.714 1.00 63.43 C ATOM 0 H ILE A 646 -15.473 -24.392 16.611 1.00 63.45 H new ATOM 0 HA ILE A 646 -15.390 -26.163 14.280 1.00 13.20 H new ATOM 0 HB ILE A 646 -14.639 -26.675 17.190 1.00 51.43 H new ATOM 0 HG12 ILE A 646 -12.807 -26.179 14.823 1.00 63.42 H new ATOM 0 HG13 ILE A 646 -13.146 -25.021 16.093 1.00 63.42 H new ATOM 0 HG21 ILE A 646 -13.570 -28.724 16.272 1.00 75.44 H new ATOM 0 HG22 ILE A 646 -15.322 -28.702 15.963 1.00 75.44 H new ATOM 0 HG23 ILE A 646 -14.184 -28.308 14.654 1.00 75.44 H new ATOM 0 HD11 ILE A 646 -11.007 -26.154 16.488 1.00 63.43 H new ATOM 0 HD12 ILE A 646 -12.172 -26.557 17.772 1.00 63.43 H new ATOM 0 HD13 ILE A 646 -11.827 -27.733 16.482 1.00 63.43 H new ATOM 2294 N GLU A 647 -17.668 -27.056 14.864 1.00 25.11 N ATOM 2295 CA GLU A 647 -18.923 -27.686 15.175 1.00 72.01 C ATOM 2296 C GLU A 647 -18.951 -29.110 14.622 1.00 34.41 C ATOM 2297 O GLU A 647 -18.287 -29.408 13.622 1.00 71.14 O ATOM 2298 CB GLU A 647 -20.085 -26.832 14.667 1.00 51.32 C ATOM 2299 CG GLU A 647 -20.040 -26.504 13.184 1.00 13.51 C ATOM 2300 CD GLU A 647 -21.189 -25.629 12.777 1.00 34.35 C ATOM 2301 OE1 GLU A 647 -22.344 -26.088 12.831 1.00 33.20 O ATOM 2302 OE2 GLU A 647 -20.976 -24.457 12.432 1.00 24.42 O ATOM 0 H GLU A 647 -17.471 -26.970 13.867 1.00 25.11 H new ATOM 0 HA GLU A 647 -19.035 -27.763 16.257 1.00 72.01 H new ATOM 0 HB2 GLU A 647 -21.019 -27.352 14.881 1.00 51.32 H new ATOM 0 HB3 GLU A 647 -20.104 -25.899 15.230 1.00 51.32 H new ATOM 0 HG2 GLU A 647 -19.100 -26.004 12.950 1.00 13.51 H new ATOM 0 HG3 GLU A 647 -20.062 -27.428 12.606 1.00 13.51 H new