USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 533 THR OG1 : rot -170:sc= 0.234 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 538 THR OG1 : rot 70:sc= 0.0219 USER MOD Single : A 540 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.16) USER MOD Single : A 542 SER OG : rot 45:sc= 1.27 USER MOD Single : A 544 SER OG : rot 53:sc= 0.703 USER MOD Single : A 548 MET CE :methyl 139:sc= -0.76 (180deg=-4.86!) USER MOD Single : A 551 LYS NZ :NH3+ 142:sc= 1.05 (180deg=0.0367) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 561 THR OG1 : rot 62:sc= 0.531 USER MOD Single : A 568 THR OG1 : rot -161:sc= 0.391 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -141:sc= -0.772 (180deg=-2.86) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 180:sc= 0.359 (180deg=0.359) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 594 THR OG1 : rot -79:sc= -1.33 USER MOD Single : A 596 LYS NZ :NH3+ -142:sc= 0.0881 (180deg=-1.66!) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -167:sc= 0.661 (180deg=0.304) USER MOD Single : A 613 ASN : amide:sc= 0.0693 K(o=0.069,f=-4.4!) USER MOD Single : A 622 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.14) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 657 HIS : no HE2:sc= 0.00945 K(o=0.0095,f=-2.2!) USER MOD Single : A 659 LYS NZ :NH3+ 162:sc= 0.177 (180deg=-0.15) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.861 -18.441 2.103 1.00 43.24 N ATOM 19 CA ALA A 529 11.487 -19.656 1.603 1.00 14.43 C ATOM 20 C ALA A 529 11.128 -19.817 0.113 1.00 73.53 C ATOM 21 O ALA A 529 10.030 -19.455 -0.307 1.00 63.33 O ATOM 22 CB ALA A 529 10.989 -20.828 2.396 1.00 20.24 C ATOM 0 HA ALA A 529 12.571 -19.601 1.706 1.00 14.43 H new ATOM 0 HB1 ALA A 529 11.454 -21.742 2.026 1.00 20.24 H new ATOM 0 HB2 ALA A 529 11.244 -20.691 3.447 1.00 20.24 H new ATOM 0 HB3 ALA A 529 9.907 -20.904 2.292 1.00 20.24 H new ATOM 28 N GLY A 530 12.053 -20.339 -0.685 1.00 40.22 N ATOM 29 CA GLY A 530 11.831 -20.419 -2.119 1.00 60.11 C ATOM 30 C GLY A 530 10.801 -21.423 -2.599 1.00 71.25 C ATOM 31 O GLY A 530 10.569 -22.445 -1.972 1.00 22.03 O ATOM 0 H GLY A 530 12.950 -20.707 -0.367 1.00 40.22 H new ATOM 0 HA2 GLY A 530 11.532 -19.432 -2.472 1.00 60.11 H new ATOM 0 HA3 GLY A 530 12.782 -20.654 -2.597 1.00 60.11 H new ATOM 35 N ILE A 531 10.232 -21.123 -3.761 1.00 22.32 N ATOM 36 CA ILE A 531 9.286 -21.994 -4.462 1.00 22.33 C ATOM 37 C ILE A 531 10.033 -23.228 -4.958 1.00 41.54 C ATOM 38 O ILE A 531 11.168 -23.094 -5.410 1.00 14.21 O ATOM 39 CB ILE A 531 8.662 -21.227 -5.694 1.00 43.55 C ATOM 40 CG1 ILE A 531 7.391 -20.475 -5.267 1.00 22.30 C ATOM 41 CG2 ILE A 531 8.295 -22.166 -6.849 1.00 0.34 C ATOM 42 CD1 ILE A 531 7.632 -19.180 -4.470 1.00 20.34 C ATOM 0 H ILE A 531 10.417 -20.250 -4.255 1.00 22.32 H new ATOM 0 HA ILE A 531 8.485 -22.288 -3.784 1.00 22.33 H new ATOM 0 HB ILE A 531 9.427 -20.533 -6.041 1.00 43.55 H new ATOM 0 HG12 ILE A 531 6.815 -20.231 -6.160 1.00 22.30 H new ATOM 0 HG13 ILE A 531 6.777 -21.145 -4.665 1.00 22.30 H new ATOM 0 HG21 ILE A 531 7.871 -21.586 -7.669 1.00 0.34 H new ATOM 0 HG22 ILE A 531 9.190 -22.683 -7.196 1.00 0.34 H new ATOM 0 HG23 ILE A 531 7.563 -22.897 -6.505 1.00 0.34 H new ATOM 0 HD11 ILE A 531 6.674 -18.725 -4.217 1.00 20.34 H new ATOM 0 HD12 ILE A 531 8.177 -19.412 -3.555 1.00 20.34 H new ATOM 0 HD13 ILE A 531 8.216 -18.485 -5.073 1.00 20.34 H new ATOM 54 N PHE A 532 9.395 -24.396 -4.908 1.00 1.20 N ATOM 55 CA PHE A 532 9.983 -25.644 -5.417 1.00 33.34 C ATOM 56 C PHE A 532 9.251 -26.139 -6.647 1.00 72.12 C ATOM 57 O PHE A 532 8.022 -26.142 -6.688 1.00 74.20 O ATOM 58 CB PHE A 532 9.917 -26.729 -4.356 1.00 5.43 C ATOM 59 CG PHE A 532 10.704 -26.399 -3.142 1.00 4.24 C ATOM 60 CD1 PHE A 532 10.132 -25.655 -2.098 1.00 54.10 C ATOM 61 CD2 PHE A 532 12.044 -26.798 -3.043 1.00 41.10 C ATOM 62 CE1 PHE A 532 10.892 -25.303 -0.974 1.00 25.04 C ATOM 63 CE2 PHE A 532 12.806 -26.457 -1.919 1.00 35.02 C ATOM 64 CZ PHE A 532 12.236 -25.706 -0.886 1.00 51.22 C ATOM 0 H PHE A 532 8.460 -24.509 -4.516 1.00 1.20 H new ATOM 0 HA PHE A 532 11.019 -25.429 -5.677 1.00 33.34 H new ATOM 0 HB2 PHE A 532 8.877 -26.892 -4.075 1.00 5.43 H new ATOM 0 HB3 PHE A 532 10.284 -27.665 -4.777 1.00 5.43 H new ATOM 0 HD1 PHE A 532 9.098 -25.351 -2.161 1.00 54.10 H new ATOM 0 HD2 PHE A 532 12.492 -27.373 -3.840 1.00 41.10 H new ATOM 0 HE1 PHE A 532 10.447 -24.724 -0.178 1.00 25.04 H new ATOM 0 HE2 PHE A 532 13.836 -26.775 -1.850 1.00 35.02 H new ATOM 0 HZ PHE A 532 12.827 -25.436 -0.023 1.00 51.22 H new ATOM 74 N THR A 533 10.005 -26.544 -7.653 1.00 71.43 N ATOM 75 CA THR A 533 9.430 -26.938 -8.935 1.00 22.24 C ATOM 76 C THR A 533 10.429 -27.856 -9.640 1.00 40.14 C ATOM 77 O THR A 533 11.584 -27.932 -9.233 1.00 14.53 O ATOM 78 CB THR A 533 9.142 -25.659 -9.777 1.00 15.14 C ATOM 79 OG1 THR A 533 8.434 -26.004 -10.971 1.00 32.34 O ATOM 80 CG2 THR A 533 10.418 -24.938 -10.149 1.00 62.44 C ATOM 0 H THR A 533 11.022 -26.610 -7.610 1.00 71.43 H new ATOM 0 HA THR A 533 8.490 -27.473 -8.801 1.00 22.24 H new ATOM 0 HB THR A 533 8.535 -24.994 -9.163 1.00 15.14 H new ATOM 0 HG1 THR A 533 8.396 -25.226 -11.565 1.00 32.34 H new ATOM 0 HG21 THR A 533 10.177 -24.051 -10.736 1.00 62.44 H new ATOM 0 HG22 THR A 533 10.946 -24.641 -9.243 1.00 62.44 H new ATOM 0 HG23 THR A 533 11.052 -25.601 -10.737 1.00 62.44 H new ATOM 88 N PHE A 534 9.997 -28.555 -10.678 1.00 33.14 N ATOM 89 CA PHE A 534 10.876 -29.430 -11.447 1.00 5.53 C ATOM 90 C PHE A 534 11.284 -28.747 -12.737 1.00 70.34 C ATOM 91 O PHE A 534 10.730 -27.717 -13.118 1.00 0.01 O ATOM 92 CB PHE A 534 10.179 -30.745 -11.807 1.00 64.45 C ATOM 93 CG PHE A 534 9.880 -31.639 -10.640 1.00 23.43 C ATOM 94 CD1 PHE A 534 10.429 -31.451 -9.360 1.00 5.40 C ATOM 95 CD2 PHE A 534 9.037 -32.714 -10.853 1.00 3.42 C ATOM 96 CE1 PHE A 534 10.085 -32.337 -8.301 1.00 25.25 C ATOM 97 CE2 PHE A 534 8.704 -33.613 -9.826 1.00 32.21 C ATOM 98 CZ PHE A 534 9.210 -33.422 -8.548 1.00 32.44 C ATOM 0 H PHE A 534 9.033 -28.534 -11.012 1.00 33.14 H new ATOM 0 HA PHE A 534 11.748 -29.642 -10.828 1.00 5.53 H new ATOM 0 HB2 PHE A 534 9.245 -30.516 -12.320 1.00 64.45 H new ATOM 0 HB3 PHE A 534 10.805 -31.290 -12.513 1.00 64.45 H new ATOM 0 HD1 PHE A 534 11.112 -30.634 -9.180 1.00 5.40 H new ATOM 0 HD2 PHE A 534 8.622 -32.867 -11.838 1.00 3.42 H new ATOM 0 HE1 PHE A 534 10.490 -32.182 -7.312 1.00 25.25 H new ATOM 0 HE2 PHE A 534 8.055 -34.452 -10.031 1.00 32.21 H new ATOM 0 HZ PHE A 534 8.939 -34.095 -7.749 1.00 32.44 H new ATOM 108 N GLU A 535 12.265 -29.349 -13.389 1.00 30.04 N ATOM 109 CA GLU A 535 12.817 -28.858 -14.648 1.00 61.23 C ATOM 110 C GLU A 535 11.852 -28.964 -15.819 1.00 34.32 C ATOM 111 O GLU A 535 11.812 -28.097 -16.688 1.00 14.52 O ATOM 112 CB GLU A 535 14.041 -29.705 -14.974 1.00 23.02 C ATOM 113 CG GLU A 535 15.291 -29.241 -14.257 1.00 23.43 C ATOM 114 CD GLU A 535 16.554 -29.947 -14.739 1.00 64.22 C ATOM 115 OE1 GLU A 535 16.452 -31.060 -15.302 1.00 71.44 O ATOM 116 OE2 GLU A 535 17.657 -29.431 -14.459 1.00 22.10 O ATOM 0 H GLU A 535 12.709 -30.205 -13.057 1.00 30.04 H new ATOM 0 HA GLU A 535 13.047 -27.801 -14.515 1.00 61.23 H new ATOM 0 HB2 GLU A 535 13.840 -30.742 -14.707 1.00 23.02 H new ATOM 0 HB3 GLU A 535 14.216 -29.681 -16.050 1.00 23.02 H new ATOM 0 HG2 GLU A 535 15.406 -28.166 -14.399 1.00 23.43 H new ATOM 0 HG3 GLU A 535 15.173 -29.411 -13.187 1.00 23.43 H new ATOM 123 N CYS A 536 11.109 -30.056 -15.859 1.00 21.34 N ATOM 124 CA CYS A 536 10.196 -30.340 -16.960 1.00 1.32 C ATOM 125 C CYS A 536 8.937 -30.950 -16.378 1.00 4.50 C ATOM 126 O CYS A 536 8.928 -31.339 -15.213 1.00 4.52 O ATOM 127 CB CYS A 536 10.848 -31.326 -17.938 1.00 43.40 C ATOM 128 SG CYS A 536 12.389 -30.704 -18.659 1.00 62.41 S ATOM 0 H CYS A 536 11.119 -30.772 -15.132 1.00 21.34 H new ATOM 0 HA CYS A 536 9.959 -29.424 -17.501 1.00 1.32 H new ATOM 0 HB2 CYS A 536 11.050 -32.263 -17.419 1.00 43.40 H new ATOM 0 HB3 CYS A 536 10.145 -31.551 -18.740 1.00 43.40 H new ATOM 0 HG CYS A 536 12.878 -31.594 -19.471 1.00 62.41 H new ATOM 134 N ASP A 537 7.899 -31.063 -17.192 1.00 75.24 N ATOM 135 CA ASP A 537 6.641 -31.683 -16.774 1.00 13.34 C ATOM 136 C ASP A 537 6.250 -32.877 -17.653 1.00 53.32 C ATOM 137 O ASP A 537 5.227 -33.494 -17.415 1.00 62.41 O ATOM 138 CB ASP A 537 5.518 -30.642 -16.744 1.00 63.11 C ATOM 139 CG ASP A 537 5.436 -29.827 -18.018 1.00 70.22 C ATOM 140 OD1 ASP A 537 5.840 -30.309 -19.099 1.00 13.12 O ATOM 141 OD2 ASP A 537 5.058 -28.638 -17.902 1.00 64.14 O ATOM 0 H ASP A 537 7.899 -30.731 -18.157 1.00 75.24 H new ATOM 0 HA ASP A 537 6.795 -32.072 -15.768 1.00 13.34 H new ATOM 0 HB2 ASP A 537 4.566 -31.147 -16.580 1.00 63.11 H new ATOM 0 HB3 ASP A 537 5.674 -29.971 -15.899 1.00 63.11 H new ATOM 146 N THR A 538 7.096 -33.238 -18.611 1.00 2.52 N ATOM 147 CA THR A 538 6.884 -34.386 -19.489 1.00 31.33 C ATOM 148 C THR A 538 8.284 -34.978 -19.756 1.00 52.10 C ATOM 149 O THR A 538 9.231 -34.234 -20.012 1.00 10.45 O ATOM 150 CB THR A 538 6.262 -33.937 -20.833 1.00 20.34 C ATOM 151 OG1 THR A 538 5.090 -33.156 -20.582 1.00 3.11 O ATOM 152 CG2 THR A 538 5.858 -35.131 -21.685 1.00 30.41 C ATOM 0 H THR A 538 7.962 -32.735 -18.804 1.00 2.52 H new ATOM 0 HA THR A 538 6.207 -35.107 -19.031 1.00 31.33 H new ATOM 0 HB THR A 538 7.014 -33.355 -21.366 1.00 20.34 H new ATOM 0 HG1 THR A 538 5.349 -32.292 -20.199 1.00 3.11 H new ATOM 0 HG21 THR A 538 5.425 -34.780 -22.622 1.00 30.41 H new ATOM 0 HG22 THR A 538 6.737 -35.740 -21.897 1.00 30.41 H new ATOM 0 HG23 THR A 538 5.123 -35.730 -21.147 1.00 30.41 H new ATOM 160 N ILE A 539 8.409 -36.291 -19.652 1.00 22.04 N ATOM 161 CA ILE A 539 9.674 -37.024 -19.838 1.00 32.02 C ATOM 162 C ILE A 539 9.373 -38.450 -20.348 1.00 51.04 C ATOM 163 O ILE A 539 8.266 -38.954 -20.186 1.00 13.34 O ATOM 164 CB ILE A 539 10.472 -37.082 -18.464 1.00 41.44 C ATOM 165 CG1 ILE A 539 11.925 -37.557 -18.662 1.00 10.13 C ATOM 166 CG2 ILE A 539 9.713 -37.934 -17.385 1.00 31.05 C ATOM 167 CD1 ILE A 539 12.235 -38.950 -18.084 1.00 71.20 C ATOM 0 H ILE A 539 7.622 -36.901 -19.431 1.00 22.04 H new ATOM 0 HA ILE A 539 10.289 -36.508 -20.575 1.00 32.02 H new ATOM 0 HB ILE A 539 10.525 -36.063 -18.082 1.00 41.44 H new ATOM 0 HG12 ILE A 539 12.147 -37.564 -19.729 1.00 10.13 H new ATOM 0 HG13 ILE A 539 12.595 -36.831 -18.202 1.00 10.13 H new ATOM 0 HG21 ILE A 539 10.291 -37.949 -16.461 1.00 31.05 H new ATOM 0 HG22 ILE A 539 8.735 -37.492 -17.194 1.00 31.05 H new ATOM 0 HG23 ILE A 539 9.586 -38.953 -17.750 1.00 31.05 H new ATOM 0 HD11 ILE A 539 13.280 -39.197 -18.272 1.00 71.20 H new ATOM 0 HD12 ILE A 539 12.050 -38.948 -17.010 1.00 71.20 H new ATOM 0 HD13 ILE A 539 11.595 -39.692 -18.561 1.00 71.20 H new ATOM 179 N HIS A 540 10.366 -39.103 -20.937 1.00 4.11 N ATOM 180 CA HIS A 540 10.278 -40.520 -21.301 1.00 31.13 C ATOM 181 C HIS A 540 11.443 -41.275 -20.694 1.00 72.34 C ATOM 182 O HIS A 540 12.590 -40.853 -20.846 1.00 1.21 O ATOM 183 CB HIS A 540 10.359 -40.705 -22.811 1.00 54.13 C ATOM 184 CG HIS A 540 9.029 -40.706 -23.484 1.00 71.53 C ATOM 185 ND1 HIS A 540 8.552 -41.780 -24.239 1.00 54.42 N ATOM 186 CD2 HIS A 540 8.036 -39.783 -23.526 1.00 42.40 C ATOM 187 CE1 HIS A 540 7.340 -41.477 -24.686 1.00 63.24 C ATOM 188 NE2 HIS A 540 7.016 -40.283 -24.272 1.00 75.04 N ATOM 0 H HIS A 540 11.257 -38.670 -21.178 1.00 4.11 H new ATOM 0 HA HIS A 540 9.324 -40.895 -20.931 1.00 31.13 H new ATOM 0 HB2 HIS A 540 10.970 -39.908 -23.234 1.00 54.13 H new ATOM 0 HB3 HIS A 540 10.867 -41.645 -23.027 1.00 54.13 H new ATOM 0 HD2 HIS A 540 8.053 -38.815 -23.048 1.00 42.40 H new ATOM 0 HE1 HIS A 540 6.720 -42.117 -25.296 1.00 63.24 H new ATOM 0 HE2 HIS A 540 6.139 -39.803 -24.475 1.00 75.04 H new ATOM 196 N VAL A 541 11.161 -42.408 -20.074 1.00 21.32 N ATOM 197 CA VAL A 541 12.219 -43.361 -19.695 1.00 35.11 C ATOM 198 C VAL A 541 11.899 -44.715 -20.311 1.00 32.53 C ATOM 199 O VAL A 541 10.898 -44.870 -20.994 1.00 63.22 O ATOM 200 CB VAL A 541 12.408 -43.525 -18.136 1.00 42.20 C ATOM 201 CG1 VAL A 541 12.820 -42.224 -17.505 1.00 73.32 C ATOM 202 CG2 VAL A 541 11.149 -44.066 -17.459 1.00 74.20 C ATOM 0 H VAL A 541 10.218 -42.700 -19.819 1.00 21.32 H new ATOM 0 HA VAL A 541 13.159 -42.958 -20.073 1.00 35.11 H new ATOM 0 HB VAL A 541 13.203 -44.256 -17.988 1.00 42.20 H new ATOM 0 HG11 VAL A 541 12.944 -42.364 -16.431 1.00 73.32 H new ATOM 0 HG12 VAL A 541 13.763 -41.892 -17.939 1.00 73.32 H new ATOM 0 HG13 VAL A 541 12.052 -41.472 -17.687 1.00 73.32 H new ATOM 0 HG21 VAL A 541 11.325 -44.163 -16.388 1.00 74.20 H new ATOM 0 HG22 VAL A 541 10.320 -43.379 -17.630 1.00 74.20 H new ATOM 0 HG23 VAL A 541 10.903 -45.043 -17.876 1.00 74.20 H new ATOM 212 N SER A 542 12.755 -45.682 -20.039 1.00 74.13 N ATOM 213 CA SER A 542 12.587 -47.062 -20.465 1.00 23.12 C ATOM 214 C SER A 542 12.924 -47.800 -19.195 1.00 15.01 C ATOM 215 O SER A 542 13.652 -47.266 -18.381 1.00 64.32 O ATOM 216 CB SER A 542 13.599 -47.398 -21.565 1.00 74.13 C ATOM 217 OG SER A 542 13.862 -48.790 -21.653 1.00 12.23 O ATOM 0 H SER A 542 13.608 -45.527 -19.502 1.00 74.13 H new ATOM 0 HA SER A 542 11.605 -47.298 -20.875 1.00 23.12 H new ATOM 0 HB2 SER A 542 13.221 -47.041 -22.523 1.00 74.13 H new ATOM 0 HB3 SER A 542 14.531 -46.867 -21.372 1.00 74.13 H new ATOM 0 HG SER A 542 13.017 -49.285 -21.618 1.00 12.23 H new ATOM 223 N GLU A 543 12.435 -49.011 -19.028 1.00 42.13 N ATOM 224 CA GLU A 543 12.758 -49.846 -17.861 1.00 44.25 C ATOM 225 C GLU A 543 14.261 -50.053 -17.733 1.00 51.13 C ATOM 226 O GLU A 543 14.812 -50.123 -16.635 1.00 32.03 O ATOM 227 CB GLU A 543 12.087 -51.227 -17.970 1.00 71.13 C ATOM 228 CG GLU A 543 11.285 -51.477 -19.261 1.00 14.55 C ATOM 229 CD GLU A 543 12.139 -51.369 -20.538 1.00 5.24 C ATOM 230 OE1 GLU A 543 13.264 -51.914 -20.585 1.00 43.31 O ATOM 231 OE2 GLU A 543 11.778 -50.513 -21.386 1.00 23.40 O ATOM 0 H GLU A 543 11.801 -49.456 -19.691 1.00 42.13 H new ATOM 0 HA GLU A 543 12.384 -49.321 -16.982 1.00 44.25 H new ATOM 0 HB2 GLU A 543 12.858 -51.993 -17.888 1.00 71.13 H new ATOM 0 HB3 GLU A 543 11.419 -51.355 -17.118 1.00 71.13 H new ATOM 0 HG2 GLU A 543 10.836 -52.469 -19.215 1.00 14.55 H new ATOM 0 HG3 GLU A 543 10.467 -50.759 -19.317 1.00 14.55 H new ATOM 238 N SER A 544 14.921 -50.090 -18.879 1.00 63.12 N ATOM 239 CA SER A 544 16.358 -50.331 -18.971 1.00 70.02 C ATOM 240 C SER A 544 17.196 -49.224 -18.334 1.00 20.32 C ATOM 241 O SER A 544 18.395 -49.390 -18.120 1.00 0.02 O ATOM 242 CB SER A 544 16.741 -50.480 -20.442 1.00 71.34 C ATOM 243 OG SER A 544 16.112 -51.616 -21.020 1.00 71.04 O ATOM 0 H SER A 544 14.472 -49.952 -19.784 1.00 63.12 H new ATOM 0 HA SER A 544 16.571 -51.244 -18.414 1.00 70.02 H new ATOM 0 HB2 SER A 544 16.453 -49.583 -20.989 1.00 71.34 H new ATOM 0 HB3 SER A 544 17.823 -50.574 -20.532 1.00 71.34 H new ATOM 0 HG SER A 544 15.147 -51.573 -20.857 1.00 71.04 H new ATOM 249 N ILE A 545 16.570 -48.102 -18.000 1.00 4.11 N ATOM 250 CA ILE A 545 17.261 -47.026 -17.306 1.00 41.00 C ATOM 251 C ILE A 545 17.583 -47.438 -15.863 1.00 21.55 C ATOM 252 O ILE A 545 18.520 -46.917 -15.248 1.00 24.11 O ATOM 253 CB ILE A 545 16.395 -45.735 -17.300 1.00 72.31 C ATOM 254 CG1 ILE A 545 17.296 -44.517 -17.065 1.00 12.13 C ATOM 255 CG2 ILE A 545 15.237 -45.842 -16.264 1.00 1.43 C ATOM 256 CD1 ILE A 545 16.556 -43.249 -16.731 1.00 33.04 C ATOM 0 H ILE A 545 15.587 -47.915 -18.199 1.00 4.11 H new ATOM 0 HA ILE A 545 18.192 -46.825 -17.835 1.00 41.00 H new ATOM 0 HB ILE A 545 15.917 -45.610 -18.271 1.00 72.31 H new ATOM 0 HG12 ILE A 545 17.988 -44.744 -16.254 1.00 12.13 H new ATOM 0 HG13 ILE A 545 17.897 -44.348 -17.958 1.00 12.13 H new ATOM 0 HG21 ILE A 545 14.648 -44.925 -16.281 1.00 1.43 H new ATOM 0 HG22 ILE A 545 14.599 -46.689 -16.518 1.00 1.43 H new ATOM 0 HG23 ILE A 545 15.653 -45.987 -15.267 1.00 1.43 H new ATOM 0 HD11 ILE A 545 17.270 -42.440 -16.581 1.00 33.04 H new ATOM 0 HD12 ILE A 545 15.884 -42.993 -17.550 1.00 33.04 H new ATOM 0 HD13 ILE A 545 15.977 -43.395 -15.819 1.00 33.04 H new ATOM 268 N GLY A 546 16.793 -48.348 -15.300 1.00 52.32 N ATOM 269 CA GLY A 546 16.992 -48.752 -13.924 1.00 44.04 C ATOM 270 C GLY A 546 16.340 -47.813 -12.942 1.00 25.10 C ATOM 271 O GLY A 546 15.434 -48.179 -12.201 1.00 64.01 O ATOM 0 H GLY A 546 16.019 -48.812 -15.775 1.00 52.32 H new ATOM 0 HA2 GLY A 546 16.590 -49.755 -13.783 1.00 44.04 H new ATOM 0 HA3 GLY A 546 18.061 -48.804 -13.716 1.00 44.04 H new ATOM 275 N VAL A 547 16.844 -46.592 -12.900 1.00 44.51 N ATOM 276 CA VAL A 547 16.380 -45.598 -11.946 1.00 72.51 C ATOM 277 C VAL A 547 16.202 -44.251 -12.640 1.00 32.32 C ATOM 278 O VAL A 547 17.151 -43.671 -13.162 1.00 4.22 O ATOM 279 CB VAL A 547 17.393 -45.466 -10.778 1.00 31.23 C ATOM 280 CG1 VAL A 547 16.956 -44.380 -9.798 1.00 72.41 C ATOM 281 CG2 VAL A 547 17.538 -46.804 -10.017 1.00 12.12 C ATOM 0 H VAL A 547 17.582 -46.262 -13.522 1.00 44.51 H new ATOM 0 HA VAL A 547 15.419 -45.917 -11.543 1.00 72.51 H new ATOM 0 HB VAL A 547 18.355 -45.194 -11.212 1.00 31.23 H new ATOM 0 HG11 VAL A 547 17.682 -44.307 -8.988 1.00 72.41 H new ATOM 0 HG12 VAL A 547 16.895 -43.424 -10.318 1.00 72.41 H new ATOM 0 HG13 VAL A 547 15.979 -44.633 -9.387 1.00 72.41 H new ATOM 0 HG21 VAL A 547 18.254 -46.684 -9.204 1.00 12.12 H new ATOM 0 HG22 VAL A 547 16.571 -47.097 -9.609 1.00 12.12 H new ATOM 0 HG23 VAL A 547 17.892 -47.575 -10.701 1.00 12.12 H new ATOM 291 N MET A 548 14.974 -43.762 -12.637 1.00 2.43 N ATOM 292 CA MET A 548 14.641 -42.468 -13.214 1.00 71.31 C ATOM 293 C MET A 548 14.996 -41.367 -12.218 1.00 3.51 C ATOM 294 O MET A 548 15.030 -41.610 -11.009 1.00 31.32 O ATOM 295 CB MET A 548 13.155 -42.424 -13.588 1.00 55.43 C ATOM 296 CG MET A 548 12.210 -42.004 -12.451 1.00 34.23 C ATOM 297 SD MET A 548 12.043 -40.215 -12.271 1.00 51.32 S ATOM 298 CE MET A 548 11.495 -39.743 -13.922 1.00 4.10 C ATOM 0 H MET A 548 14.176 -44.252 -12.233 1.00 2.43 H new ATOM 0 HA MET A 548 15.217 -42.310 -14.126 1.00 71.31 H new ATOM 0 HB2 MET A 548 13.026 -41.733 -14.421 1.00 55.43 H new ATOM 0 HB3 MET A 548 12.856 -43.410 -13.943 1.00 55.43 H new ATOM 0 HG2 MET A 548 11.225 -42.436 -12.630 1.00 34.23 H new ATOM 0 HG3 MET A 548 12.576 -42.422 -11.513 1.00 34.23 H new ATOM 0 HE1 MET A 548 10.717 -38.984 -13.844 1.00 4.10 H new ATOM 0 HE2 MET A 548 12.338 -39.342 -14.484 1.00 4.10 H new ATOM 0 HE3 MET A 548 11.098 -40.618 -14.438 1.00 4.10 H new ATOM 308 N GLU A 549 15.277 -40.171 -12.719 1.00 22.44 N ATOM 309 CA GLU A 549 15.562 -39.023 -11.860 1.00 71.01 C ATOM 310 C GLU A 549 14.880 -37.762 -12.369 1.00 60.14 C ATOM 311 O GLU A 549 14.927 -37.468 -13.563 1.00 44.34 O ATOM 312 CB GLU A 549 17.063 -38.739 -11.790 1.00 14.12 C ATOM 313 CG GLU A 549 17.612 -38.566 -10.415 1.00 53.54 C ATOM 314 CD GLU A 549 19.110 -38.271 -10.440 1.00 33.22 C ATOM 315 OE1 GLU A 549 19.575 -37.590 -11.385 1.00 30.43 O ATOM 316 OE2 GLU A 549 19.824 -38.703 -9.502 1.00 53.14 O ATOM 0 H GLU A 549 15.314 -39.968 -13.718 1.00 22.44 H new ATOM 0 HA GLU A 549 15.181 -39.281 -10.872 1.00 71.01 H new ATOM 0 HB2 GLU A 549 17.595 -39.557 -12.276 1.00 14.12 H new ATOM 0 HB3 GLU A 549 17.273 -37.837 -12.364 1.00 14.12 H new ATOM 0 HG2 GLU A 549 17.089 -37.752 -9.914 1.00 53.54 H new ATOM 0 HG3 GLU A 549 17.428 -39.469 -9.833 1.00 53.54 H new ATOM 323 N VAL A 550 14.337 -36.967 -11.456 1.00 3.10 N ATOM 324 CA VAL A 550 13.838 -35.628 -11.797 1.00 43.13 C ATOM 325 C VAL A 550 14.703 -34.658 -11.035 1.00 51.31 C ATOM 326 O VAL A 550 15.105 -34.941 -9.911 1.00 11.11 O ATOM 327 CB VAL A 550 12.323 -35.407 -11.435 1.00 51.42 C ATOM 328 CG1 VAL A 550 11.554 -36.676 -11.648 1.00 32.12 C ATOM 329 CG2 VAL A 550 12.127 -34.898 -10.004 1.00 73.43 C ATOM 0 H VAL A 550 14.228 -37.219 -10.474 1.00 3.10 H new ATOM 0 HA VAL A 550 13.893 -35.486 -12.876 1.00 43.13 H new ATOM 0 HB VAL A 550 11.942 -34.632 -12.100 1.00 51.42 H new ATOM 0 HG11 VAL A 550 10.506 -36.513 -11.395 1.00 32.12 H new ATOM 0 HG12 VAL A 550 11.632 -36.978 -12.692 1.00 32.12 H new ATOM 0 HG13 VAL A 550 11.963 -37.461 -11.012 1.00 32.12 H new ATOM 0 HG21 VAL A 550 11.063 -34.763 -9.808 1.00 73.43 H new ATOM 0 HG22 VAL A 550 12.536 -35.623 -9.301 1.00 73.43 H new ATOM 0 HG23 VAL A 550 12.642 -33.945 -9.883 1.00 73.43 H new ATOM 339 N LYS A 551 15.011 -33.526 -11.638 1.00 2.34 N ATOM 340 CA LYS A 551 15.798 -32.501 -10.968 1.00 3.21 C ATOM 341 C LYS A 551 14.806 -31.532 -10.358 1.00 52.53 C ATOM 342 O LYS A 551 13.851 -31.104 -11.013 1.00 21.21 O ATOM 343 CB LYS A 551 16.718 -31.790 -11.960 1.00 52.04 C ATOM 344 CG LYS A 551 18.067 -32.492 -12.239 1.00 14.21 C ATOM 345 CD LYS A 551 17.916 -33.856 -12.936 1.00 43.05 C ATOM 346 CE LYS A 551 19.275 -34.489 -13.206 1.00 62.51 C ATOM 347 NZ LYS A 551 19.137 -35.915 -13.673 1.00 74.42 N ATOM 0 H LYS A 551 14.730 -33.290 -12.590 1.00 2.34 H new ATOM 0 HA LYS A 551 16.441 -32.935 -10.202 1.00 3.21 H new ATOM 0 HB2 LYS A 551 16.186 -31.676 -12.904 1.00 52.04 H new ATOM 0 HB3 LYS A 551 16.921 -30.787 -11.585 1.00 52.04 H new ATOM 0 HG2 LYS A 551 18.684 -31.842 -12.859 1.00 14.21 H new ATOM 0 HG3 LYS A 551 18.597 -32.631 -11.297 1.00 14.21 H new ATOM 0 HD2 LYS A 551 17.319 -34.522 -12.313 1.00 43.05 H new ATOM 0 HD3 LYS A 551 17.377 -33.730 -13.875 1.00 43.05 H new ATOM 0 HE2 LYS A 551 19.805 -33.908 -13.961 1.00 62.51 H new ATOM 0 HE3 LYS A 551 19.878 -34.459 -12.299 1.00 62.51 H new ATOM 0 HZ1 LYS A 551 19.849 -36.111 -14.406 1.00 74.42 H new ATOM 0 HZ2 LYS A 551 19.282 -36.559 -12.869 1.00 74.42 H new ATOM 0 HZ3 LYS A 551 18.186 -36.061 -14.067 1.00 74.42 H new ATOM 361 N VAL A 552 15.016 -31.231 -9.092 1.00 52.43 N ATOM 362 CA VAL A 552 14.131 -30.363 -8.327 1.00 62.31 C ATOM 363 C VAL A 552 14.861 -29.067 -8.042 1.00 14.22 C ATOM 364 O VAL A 552 15.917 -29.066 -7.400 1.00 12.44 O ATOM 365 CB VAL A 552 13.737 -30.995 -6.963 1.00 71.01 C ATOM 366 CG1 VAL A 552 12.529 -30.245 -6.365 1.00 34.41 C ATOM 367 CG2 VAL A 552 13.435 -32.495 -7.104 1.00 62.32 C ATOM 0 H VAL A 552 15.810 -31.583 -8.558 1.00 52.43 H new ATOM 0 HA VAL A 552 13.226 -30.204 -8.913 1.00 62.31 H new ATOM 0 HB VAL A 552 14.584 -30.898 -6.284 1.00 71.01 H new ATOM 0 HG11 VAL A 552 12.259 -30.694 -5.409 1.00 34.41 H new ATOM 0 HG12 VAL A 552 12.790 -29.198 -6.213 1.00 34.41 H new ATOM 0 HG13 VAL A 552 11.683 -30.313 -7.049 1.00 34.41 H new ATOM 0 HG21 VAL A 552 13.163 -32.904 -6.131 1.00 62.32 H new ATOM 0 HG22 VAL A 552 12.609 -32.636 -7.801 1.00 62.32 H new ATOM 0 HG23 VAL A 552 14.319 -33.010 -7.480 1.00 62.32 H new ATOM 377 N LEU A 553 14.320 -27.968 -8.531 1.00 72.35 N ATOM 378 CA LEU A 553 14.905 -26.664 -8.338 1.00 71.31 C ATOM 379 C LEU A 553 14.147 -25.955 -7.235 1.00 11.21 C ATOM 380 O LEU A 553 12.991 -26.278 -6.936 1.00 21.14 O ATOM 381 CB LEU A 553 14.783 -25.826 -9.613 1.00 75.45 C ATOM 382 CG LEU A 553 15.187 -26.427 -10.971 1.00 2.31 C ATOM 383 CD1 LEU A 553 16.481 -27.259 -10.933 1.00 0.43 C ATOM 384 CD2 LEU A 553 14.058 -27.227 -11.565 1.00 30.14 C ATOM 0 H LEU A 553 13.458 -27.959 -9.076 1.00 72.35 H new ATOM 0 HA LEU A 553 15.958 -26.783 -8.083 1.00 71.31 H new ATOM 0 HB2 LEU A 553 13.743 -25.510 -9.695 1.00 75.45 H new ATOM 0 HB3 LEU A 553 15.379 -24.925 -9.467 1.00 75.45 H new ATOM 0 HG LEU A 553 15.402 -25.573 -11.613 1.00 2.31 H new ATOM 0 HD11 LEU A 553 16.694 -27.646 -11.929 1.00 0.43 H new ATOM 0 HD12 LEU A 553 17.308 -26.630 -10.603 1.00 0.43 H new ATOM 0 HD13 LEU A 553 16.358 -28.091 -10.239 1.00 0.43 H new ATOM 0 HD21 LEU A 553 14.370 -27.640 -12.524 1.00 30.14 H new ATOM 0 HD22 LEU A 553 13.793 -28.040 -10.889 1.00 30.14 H new ATOM 0 HD23 LEU A 553 13.193 -26.581 -11.713 1.00 30.14 H new ATOM 396 N ARG A 554 14.779 -24.934 -6.693 1.00 21.31 N ATOM 397 CA ARG A 554 14.172 -24.064 -5.704 1.00 74.32 C ATOM 398 C ARG A 554 14.621 -22.674 -6.120 1.00 40.14 C ATOM 399 O ARG A 554 15.771 -22.492 -6.504 1.00 34.53 O ATOM 400 CB ARG A 554 14.659 -24.459 -4.313 1.00 33.41 C ATOM 401 CG ARG A 554 14.226 -23.571 -3.159 1.00 13.33 C ATOM 402 CD ARG A 554 15.244 -23.718 -2.028 1.00 74.30 C ATOM 403 NE ARG A 554 14.695 -23.399 -0.698 1.00 42.14 N ATOM 404 CZ ARG A 554 15.403 -23.378 0.428 1.00 33.25 C ATOM 405 NH1 ARG A 554 16.668 -23.685 0.477 1.00 25.10 N ATOM 406 NH2 ARG A 554 14.831 -23.031 1.540 1.00 14.35 N ATOM 0 H ARG A 554 15.739 -24.681 -6.929 1.00 21.31 H new ATOM 0 HA ARG A 554 13.085 -24.123 -5.658 1.00 74.32 H new ATOM 0 HB2 ARG A 554 14.317 -25.473 -4.108 1.00 33.41 H new ATOM 0 HB3 ARG A 554 15.748 -24.488 -4.330 1.00 33.41 H new ATOM 0 HG2 ARG A 554 14.166 -22.532 -3.482 1.00 13.33 H new ATOM 0 HG3 ARG A 554 13.232 -23.856 -2.814 1.00 13.33 H new ATOM 0 HD2 ARG A 554 15.622 -24.740 -2.021 1.00 74.30 H new ATOM 0 HD3 ARG A 554 16.094 -23.065 -2.228 1.00 74.30 H new ATOM 0 HE ARG A 554 13.701 -23.179 -0.636 1.00 42.14 H new ATOM 0 HH11 ARG A 554 17.160 -23.957 -0.374 1.00 25.10 H new ATOM 0 HH12 ARG A 554 17.166 -23.653 1.366 1.00 25.10 H new ATOM 0 HH21 ARG A 554 13.843 -22.776 1.548 1.00 14.35 H new ATOM 0 HH22 ARG A 554 15.369 -23.013 2.406 1.00 14.35 H new ATOM 420 N THR A 555 13.697 -21.724 -6.149 1.00 5.10 N ATOM 421 CA THR A 555 13.998 -20.381 -6.669 1.00 12.21 C ATOM 422 C THR A 555 14.997 -19.623 -5.780 1.00 5.23 C ATOM 423 O THR A 555 15.341 -20.076 -4.685 1.00 64.24 O ATOM 424 CB THR A 555 12.689 -19.539 -6.848 1.00 52.43 C ATOM 425 OG1 THR A 555 12.941 -18.446 -7.736 1.00 63.14 O ATOM 426 CG2 THR A 555 12.182 -18.961 -5.521 1.00 3.42 C ATOM 0 H THR A 555 12.738 -21.848 -5.824 1.00 5.10 H new ATOM 0 HA THR A 555 14.464 -20.521 -7.644 1.00 12.21 H new ATOM 0 HB THR A 555 11.930 -20.211 -7.248 1.00 52.43 H new ATOM 0 HG1 THR A 555 12.121 -17.921 -7.849 1.00 63.14 H new ATOM 0 HG21 THR A 555 11.273 -18.386 -5.698 1.00 3.42 H new ATOM 0 HG22 THR A 555 11.967 -19.775 -4.828 1.00 3.42 H new ATOM 0 HG23 THR A 555 12.945 -18.311 -5.092 1.00 3.42 H new ATOM 434 N SER A 556 15.402 -18.437 -6.228 1.00 4.32 N ATOM 435 CA SER A 556 16.346 -17.558 -5.511 1.00 14.04 C ATOM 436 C SER A 556 15.846 -17.019 -4.163 1.00 54.21 C ATOM 437 O SER A 556 16.492 -16.179 -3.536 1.00 11.44 O ATOM 438 CB SER A 556 16.680 -16.372 -6.412 1.00 62.50 C ATOM 439 OG SER A 556 16.855 -16.813 -7.748 1.00 74.21 O ATOM 0 H SER A 556 15.083 -18.046 -7.114 1.00 4.32 H new ATOM 0 HA SER A 556 17.213 -18.177 -5.281 1.00 14.04 H new ATOM 0 HB2 SER A 556 15.880 -15.633 -6.366 1.00 62.50 H new ATOM 0 HB3 SER A 556 17.588 -15.882 -6.060 1.00 62.50 H new ATOM 0 HG SER A 556 17.067 -16.046 -8.320 1.00 74.21 H new ATOM 445 N GLY A 557 14.727 -17.558 -3.706 1.00 21.33 N ATOM 446 CA GLY A 557 14.170 -17.270 -2.403 1.00 42.12 C ATOM 447 C GLY A 557 14.707 -18.266 -1.395 1.00 61.21 C ATOM 448 O GLY A 557 14.117 -18.487 -0.372 1.00 3.44 O ATOM 0 H GLY A 557 14.172 -18.222 -4.246 1.00 21.33 H new ATOM 0 HA2 GLY A 557 14.428 -16.255 -2.101 1.00 42.12 H new ATOM 0 HA3 GLY A 557 13.082 -17.324 -2.440 1.00 42.12 H new ATOM 452 N ALA A 558 15.795 -18.949 -1.719 1.00 52.44 N ATOM 453 CA ALA A 558 16.335 -19.991 -0.850 1.00 1.20 C ATOM 454 C ALA A 558 16.880 -19.453 0.484 1.00 71.44 C ATOM 455 O ALA A 558 18.073 -19.196 0.626 1.00 52.24 O ATOM 456 CB ALA A 558 17.405 -20.751 -1.585 1.00 5.23 C ATOM 0 H ALA A 558 16.324 -18.802 -2.579 1.00 52.44 H new ATOM 0 HA ALA A 558 15.509 -20.654 -0.593 1.00 1.20 H new ATOM 0 HB1 ALA A 558 17.809 -21.529 -0.937 1.00 5.23 H new ATOM 0 HB2 ALA A 558 16.979 -21.208 -2.478 1.00 5.23 H new ATOM 0 HB3 ALA A 558 18.204 -20.068 -1.873 1.00 5.23 H new ATOM 462 N ARG A 559 15.993 -19.291 1.450 1.00 30.32 N ATOM 463 CA ARG A 559 16.341 -18.806 2.778 1.00 43.05 C ATOM 464 C ARG A 559 16.172 -19.956 3.755 1.00 44.22 C ATOM 465 O ARG A 559 15.071 -20.471 3.940 1.00 5.43 O ATOM 466 CB ARG A 559 15.422 -17.633 3.171 1.00 31.31 C ATOM 467 CG ARG A 559 15.414 -16.434 2.190 1.00 14.25 C ATOM 468 CD ARG A 559 16.759 -15.715 2.085 1.00 4.11 C ATOM 469 NE ARG A 559 17.568 -16.269 0.988 1.00 62.22 N ATOM 470 CZ ARG A 559 17.452 -15.942 -0.293 1.00 64.31 C ATOM 471 NH1 ARG A 559 16.616 -15.031 -0.724 1.00 72.40 N ATOM 472 NH2 ARG A 559 18.191 -16.561 -1.165 1.00 60.14 N ATOM 0 H ARG A 559 15.000 -19.494 1.335 1.00 30.32 H new ATOM 0 HA ARG A 559 17.370 -18.448 2.793 1.00 43.05 H new ATOM 0 HB2 ARG A 559 14.403 -18.009 3.266 1.00 31.31 H new ATOM 0 HB3 ARG A 559 15.722 -17.273 4.155 1.00 31.31 H new ATOM 0 HG2 ARG A 559 15.123 -16.788 1.201 1.00 14.25 H new ATOM 0 HG3 ARG A 559 14.655 -15.720 2.509 1.00 14.25 H new ATOM 0 HD2 ARG A 559 16.594 -14.650 1.919 1.00 4.11 H new ATOM 0 HD3 ARG A 559 17.301 -15.811 3.026 1.00 4.11 H new ATOM 0 HE ARG A 559 18.276 -16.961 1.232 1.00 62.22 H new ATOM 0 HH11 ARG A 559 16.016 -14.536 -0.064 1.00 72.40 H new ATOM 0 HH12 ARG A 559 16.565 -14.816 -1.720 1.00 72.40 H new ATOM 0 HH21 ARG A 559 18.844 -17.283 -0.860 1.00 60.14 H new ATOM 0 HH22 ARG A 559 18.118 -16.325 -2.155 1.00 60.14 H new ATOM 486 N GLY A 560 17.270 -20.378 4.354 1.00 53.42 N ATOM 487 CA GLY A 560 17.218 -21.437 5.338 1.00 73.23 C ATOM 488 C GLY A 560 17.010 -22.817 4.756 1.00 41.23 C ATOM 489 O GLY A 560 17.161 -23.042 3.543 1.00 53.42 O ATOM 0 H GLY A 560 18.202 -20.005 4.176 1.00 53.42 H new ATOM 0 HA2 GLY A 560 18.146 -21.432 5.909 1.00 73.23 H new ATOM 0 HA3 GLY A 560 16.411 -21.226 6.040 1.00 73.23 H new ATOM 493 N THR A 561 16.649 -23.738 5.630 1.00 24.42 N ATOM 494 CA THR A 561 16.460 -25.131 5.279 1.00 23.42 C ATOM 495 C THR A 561 14.985 -25.448 5.266 1.00 60.15 C ATOM 496 O THR A 561 14.259 -25.166 6.193 1.00 71.12 O ATOM 497 CB THR A 561 17.146 -26.078 6.288 1.00 13.12 C ATOM 498 OG1 THR A 561 18.528 -25.744 6.384 1.00 1.22 O ATOM 499 CG2 THR A 561 17.017 -27.517 5.881 1.00 32.34 C ATOM 0 H THR A 561 16.477 -23.536 6.615 1.00 24.42 H new ATOM 0 HA THR A 561 16.906 -25.284 4.296 1.00 23.42 H new ATOM 0 HB THR A 561 16.652 -25.953 7.251 1.00 13.12 H new ATOM 0 HG1 THR A 561 18.621 -24.827 6.716 1.00 1.22 H new ATOM 0 HG21 THR A 561 17.513 -28.149 6.617 1.00 32.34 H new ATOM 0 HG22 THR A 561 15.962 -27.786 5.824 1.00 32.34 H new ATOM 0 HG23 THR A 561 17.482 -27.662 4.906 1.00 32.34 H new ATOM 507 N VAL A 562 14.569 -26.053 4.184 1.00 32.14 N ATOM 508 CA VAL A 562 13.203 -26.513 3.968 1.00 70.51 C ATOM 509 C VAL A 562 13.318 -27.984 3.602 1.00 14.04 C ATOM 510 O VAL A 562 14.223 -28.364 2.878 1.00 31.44 O ATOM 511 CB VAL A 562 12.536 -25.733 2.801 1.00 51.43 C ATOM 512 CG1 VAL A 562 11.201 -26.349 2.382 1.00 64.43 C ATOM 513 CG2 VAL A 562 12.298 -24.280 3.189 1.00 62.20 C ATOM 0 H VAL A 562 15.186 -26.250 3.396 1.00 32.14 H new ATOM 0 HA VAL A 562 12.589 -26.355 4.855 1.00 70.51 H new ATOM 0 HB VAL A 562 13.226 -25.790 1.959 1.00 51.43 H new ATOM 0 HG11 VAL A 562 10.774 -25.769 1.564 1.00 64.43 H new ATOM 0 HG12 VAL A 562 11.361 -27.376 2.054 1.00 64.43 H new ATOM 0 HG13 VAL A 562 10.515 -26.341 3.229 1.00 64.43 H new ATOM 0 HG21 VAL A 562 11.830 -23.753 2.357 1.00 62.20 H new ATOM 0 HG22 VAL A 562 11.643 -24.238 4.059 1.00 62.20 H new ATOM 0 HG23 VAL A 562 13.250 -23.807 3.429 1.00 62.20 H new ATOM 523 N ILE A 563 12.402 -28.800 4.090 1.00 74.15 N ATOM 524 CA ILE A 563 12.355 -30.203 3.737 1.00 72.44 C ATOM 525 C ILE A 563 11.152 -30.359 2.801 1.00 30.00 C ATOM 526 O ILE A 563 10.125 -29.699 3.001 1.00 11.01 O ATOM 527 CB ILE A 563 12.266 -31.086 5.013 1.00 34.34 C ATOM 528 CG1 ILE A 563 13.027 -32.387 4.798 1.00 44.21 C ATOM 529 CG2 ILE A 563 10.811 -31.401 5.421 1.00 74.22 C ATOM 530 CD1 ILE A 563 13.596 -32.941 6.062 1.00 44.10 C ATOM 0 H ILE A 563 11.672 -28.508 4.740 1.00 74.15 H new ATOM 0 HA ILE A 563 13.260 -30.537 3.230 1.00 72.44 H new ATOM 0 HB ILE A 563 12.715 -30.515 5.826 1.00 34.34 H new ATOM 0 HG12 ILE A 563 12.359 -33.124 4.352 1.00 44.21 H new ATOM 0 HG13 ILE A 563 13.834 -32.217 4.086 1.00 44.21 H new ATOM 0 HG21 ILE A 563 10.811 -32.020 6.318 1.00 74.22 H new ATOM 0 HG22 ILE A 563 10.280 -30.471 5.622 1.00 74.22 H new ATOM 0 HG23 ILE A 563 10.314 -31.935 4.611 1.00 74.22 H new ATOM 0 HD11 ILE A 563 14.127 -33.868 5.846 1.00 44.10 H new ATOM 0 HD12 ILE A 563 14.288 -32.219 6.497 1.00 44.10 H new ATOM 0 HD13 ILE A 563 12.789 -33.141 6.767 1.00 44.10 H new ATOM 542 N VAL A 564 11.284 -31.153 1.749 1.00 55.55 N ATOM 543 CA VAL A 564 10.185 -31.322 0.787 1.00 3.22 C ATOM 544 C VAL A 564 9.936 -32.793 0.434 1.00 11.40 C ATOM 545 O VAL A 564 10.786 -33.437 -0.181 1.00 4.15 O ATOM 546 CB VAL A 564 10.443 -30.562 -0.548 1.00 71.11 C ATOM 547 CG1 VAL A 564 9.160 -30.567 -1.415 1.00 14.44 C ATOM 548 CG2 VAL A 564 10.870 -29.121 -0.282 1.00 44.43 C ATOM 0 H VAL A 564 12.126 -31.687 1.534 1.00 55.55 H new ATOM 0 HA VAL A 564 9.312 -30.907 1.291 1.00 3.22 H new ATOM 0 HB VAL A 564 11.247 -31.072 -1.079 1.00 71.11 H new ATOM 0 HG11 VAL A 564 9.348 -30.034 -2.347 1.00 14.44 H new ATOM 0 HG12 VAL A 564 8.875 -31.595 -1.637 1.00 14.44 H new ATOM 0 HG13 VAL A 564 8.352 -30.075 -0.873 1.00 14.44 H new ATOM 0 HG21 VAL A 564 11.044 -28.612 -1.230 1.00 44.43 H new ATOM 0 HG22 VAL A 564 10.084 -28.604 0.268 1.00 44.43 H new ATOM 0 HG23 VAL A 564 11.788 -29.116 0.306 1.00 44.43 H new ATOM 558 N PRO A 565 8.764 -33.335 0.800 1.00 35.32 N ATOM 559 CA PRO A 565 8.422 -34.691 0.362 1.00 20.30 C ATOM 560 C PRO A 565 8.005 -34.812 -1.078 1.00 0.40 C ATOM 561 O PRO A 565 7.497 -33.868 -1.677 1.00 54.12 O ATOM 562 CB PRO A 565 7.225 -35.052 1.256 1.00 64.13 C ATOM 563 CG PRO A 565 6.620 -33.777 1.605 1.00 22.24 C ATOM 564 CD PRO A 565 7.684 -32.741 1.607 1.00 24.55 C ATOM 0 HA PRO A 565 9.295 -35.338 0.444 1.00 20.30 H new ATOM 0 HB2 PRO A 565 6.518 -35.694 0.730 1.00 64.13 H new ATOM 0 HB3 PRO A 565 7.546 -35.594 2.146 1.00 64.13 H new ATOM 0 HG2 PRO A 565 5.840 -33.518 0.889 1.00 22.24 H new ATOM 0 HG3 PRO A 565 6.147 -33.837 2.585 1.00 22.24 H new ATOM 0 HD2 PRO A 565 7.331 -31.805 1.173 1.00 24.55 H new ATOM 0 HD3 PRO A 565 8.020 -32.516 2.619 1.00 24.55 H new ATOM 572 N PHE A 566 8.153 -36.018 -1.597 1.00 40.41 N ATOM 573 CA PHE A 566 7.674 -36.376 -2.909 1.00 35.50 C ATOM 574 C PHE A 566 7.093 -37.761 -2.803 1.00 44.30 C ATOM 575 O PHE A 566 7.379 -38.461 -1.830 1.00 13.44 O ATOM 576 CB PHE A 566 8.841 -36.416 -3.867 1.00 54.41 C ATOM 577 CG PHE A 566 9.912 -37.415 -3.480 1.00 45.24 C ATOM 578 CD1 PHE A 566 10.972 -37.032 -2.636 1.00 51.13 C ATOM 579 CD2 PHE A 566 9.874 -38.736 -3.966 1.00 42.13 C ATOM 580 CE1 PHE A 566 11.986 -37.957 -2.280 1.00 23.44 C ATOM 581 CE2 PHE A 566 10.879 -39.670 -3.608 1.00 42.24 C ATOM 582 CZ PHE A 566 11.937 -39.277 -2.767 1.00 50.00 C ATOM 0 H PHE A 566 8.617 -36.783 -1.107 1.00 40.41 H new ATOM 0 HA PHE A 566 6.935 -35.658 -3.265 1.00 35.50 H new ATOM 0 HB2 PHE A 566 8.473 -36.659 -4.864 1.00 54.41 H new ATOM 0 HB3 PHE A 566 9.287 -35.423 -3.925 1.00 54.41 H new ATOM 0 HD1 PHE A 566 11.013 -36.022 -2.255 1.00 51.13 H new ATOM 0 HD2 PHE A 566 9.070 -39.041 -4.619 1.00 42.13 H new ATOM 0 HE1 PHE A 566 12.796 -37.649 -1.635 1.00 23.44 H new ATOM 0 HE2 PHE A 566 10.833 -40.683 -3.981 1.00 42.24 H new ATOM 0 HZ PHE A 566 12.707 -39.984 -2.497 1.00 50.00 H new ATOM 592 N ARG A 567 6.332 -38.170 -3.807 1.00 63.25 N ATOM 593 CA ARG A 567 5.839 -39.540 -3.894 1.00 73.41 C ATOM 594 C ARG A 567 5.472 -39.847 -5.340 1.00 21.13 C ATOM 595 O ARG A 567 5.104 -38.936 -6.090 1.00 53.51 O ATOM 596 CB ARG A 567 4.635 -39.731 -2.960 1.00 75.45 C ATOM 597 CG ARG A 567 3.423 -38.940 -3.354 1.00 24.42 C ATOM 598 CD ARG A 567 2.452 -39.808 -4.116 1.00 2.22 C ATOM 599 NE ARG A 567 1.600 -40.630 -3.226 1.00 42.22 N ATOM 600 CZ ARG A 567 1.736 -41.944 -3.019 1.00 40.11 C ATOM 601 NH1 ARG A 567 2.621 -42.673 -3.627 1.00 54.42 N ATOM 602 NH2 ARG A 567 0.953 -42.538 -2.164 1.00 62.51 N ATOM 0 H ARG A 567 6.040 -37.570 -4.578 1.00 63.25 H new ATOM 0 HA ARG A 567 6.617 -40.234 -3.575 1.00 73.41 H new ATOM 0 HB2 ARG A 567 4.373 -40.789 -2.934 1.00 75.45 H new ATOM 0 HB3 ARG A 567 4.926 -39.450 -1.948 1.00 75.45 H new ATOM 0 HG2 ARG A 567 2.939 -38.537 -2.464 1.00 24.42 H new ATOM 0 HG3 ARG A 567 3.720 -38.090 -3.968 1.00 24.42 H new ATOM 0 HD2 ARG A 567 1.818 -39.177 -4.738 1.00 2.22 H new ATOM 0 HD3 ARG A 567 3.007 -40.463 -4.788 1.00 2.22 H new ATOM 0 HE ARG A 567 0.847 -40.154 -2.730 1.00 42.22 H new ATOM 0 HH11 ARG A 567 3.257 -42.247 -4.301 1.00 54.42 H new ATOM 0 HH12 ARG A 567 2.681 -43.672 -3.431 1.00 54.42 H new ATOM 0 HH21 ARG A 567 0.246 -42.001 -1.661 1.00 62.51 H new ATOM 0 HH22 ARG A 567 1.047 -43.540 -1.997 1.00 62.51 H new ATOM 616 N THR A 568 5.556 -41.108 -5.722 1.00 24.02 N ATOM 617 CA THR A 568 5.255 -41.532 -7.085 1.00 11.34 C ATOM 618 C THR A 568 3.742 -41.682 -7.235 1.00 62.42 C ATOM 619 O THR A 568 3.074 -42.127 -6.323 1.00 2.53 O ATOM 620 CB THR A 568 5.966 -42.866 -7.363 1.00 1.31 C ATOM 621 OG1 THR A 568 7.352 -42.719 -7.061 1.00 64.22 O ATOM 622 CG2 THR A 568 5.892 -43.266 -8.772 1.00 34.11 C ATOM 0 H THR A 568 5.834 -41.868 -5.101 1.00 24.02 H new ATOM 0 HA THR A 568 5.607 -40.792 -7.803 1.00 11.34 H new ATOM 0 HB THR A 568 5.471 -43.619 -6.750 1.00 1.31 H new ATOM 0 HG1 THR A 568 7.860 -43.431 -7.503 1.00 64.22 H new ATOM 0 HG21 THR A 568 6.411 -44.215 -8.909 1.00 34.11 H new ATOM 0 HG22 THR A 568 4.848 -43.378 -9.064 1.00 34.11 H new ATOM 0 HG23 THR A 568 6.362 -42.503 -9.392 1.00 34.11 H new ATOM 630 N VAL A 569 3.206 -41.220 -8.349 1.00 15.20 N ATOM 631 CA VAL A 569 1.771 -41.205 -8.605 1.00 65.45 C ATOM 632 C VAL A 569 1.550 -41.809 -9.966 1.00 23.11 C ATOM 633 O VAL A 569 1.872 -41.214 -10.985 1.00 42.23 O ATOM 634 CB VAL A 569 1.194 -39.758 -8.653 1.00 14.54 C ATOM 635 CG1 VAL A 569 -0.331 -39.790 -8.885 1.00 13.32 C ATOM 636 CG2 VAL A 569 1.484 -39.004 -7.372 1.00 10.40 C ATOM 0 H VAL A 569 3.760 -40.838 -9.115 1.00 15.20 H new ATOM 0 HA VAL A 569 1.277 -41.752 -7.802 1.00 65.45 H new ATOM 0 HB VAL A 569 1.681 -39.243 -9.481 1.00 14.54 H new ATOM 0 HG11 VAL A 569 -0.716 -38.771 -8.916 1.00 13.32 H new ATOM 0 HG12 VAL A 569 -0.545 -40.287 -9.831 1.00 13.32 H new ATOM 0 HG13 VAL A 569 -0.811 -40.335 -8.072 1.00 13.32 H new ATOM 0 HG21 VAL A 569 1.068 -37.999 -7.439 1.00 10.40 H new ATOM 0 HG22 VAL A 569 1.031 -39.529 -6.531 1.00 10.40 H new ATOM 0 HG23 VAL A 569 2.562 -38.941 -7.223 1.00 10.40 H new ATOM 646 N GLU A 570 1.018 -43.001 -9.982 1.00 71.44 N ATOM 647 CA GLU A 570 0.733 -43.687 -11.215 1.00 50.11 C ATOM 648 C GLU A 570 -0.568 -43.148 -11.812 1.00 53.13 C ATOM 649 O GLU A 570 -1.514 -42.825 -11.088 1.00 21.31 O ATOM 650 CB GLU A 570 0.697 -45.194 -10.979 1.00 22.35 C ATOM 651 CG GLU A 570 0.104 -45.691 -9.632 1.00 23.24 C ATOM 652 CD GLU A 570 1.027 -45.594 -8.408 1.00 2.12 C ATOM 653 OE1 GLU A 570 0.987 -44.552 -7.712 1.00 73.31 O ATOM 654 OE2 GLU A 570 1.708 -46.597 -8.083 1.00 53.51 O ATOM 0 H GLU A 570 0.770 -43.524 -9.142 1.00 71.44 H new ATOM 0 HA GLU A 570 1.524 -43.501 -11.941 1.00 50.11 H new ATOM 0 HB2 GLU A 570 0.124 -45.648 -11.788 1.00 22.35 H new ATOM 0 HB3 GLU A 570 1.716 -45.572 -11.059 1.00 22.35 H new ATOM 0 HG2 GLU A 570 -0.801 -45.120 -9.425 1.00 23.24 H new ATOM 0 HG3 GLU A 570 -0.196 -46.732 -9.753 1.00 23.24 H new ATOM 661 N GLY A 571 -0.580 -42.996 -13.131 1.00 34.44 N ATOM 662 CA GLY A 571 -1.749 -42.481 -13.834 1.00 15.45 C ATOM 663 C GLY A 571 -2.454 -43.633 -14.498 1.00 44.51 C ATOM 664 O GLY A 571 -3.436 -44.152 -13.975 1.00 1.30 O ATOM 0 H GLY A 571 0.209 -43.223 -13.737 1.00 34.44 H new ATOM 0 HA2 GLY A 571 -2.419 -41.978 -13.137 1.00 15.45 H new ATOM 0 HA3 GLY A 571 -1.449 -41.742 -14.577 1.00 15.45 H new ATOM 668 N THR A 572 -1.902 -44.102 -15.608 1.00 42.24 N ATOM 669 CA THR A 572 -2.300 -45.397 -16.153 1.00 4.13 C ATOM 670 C THR A 572 -1.052 -46.263 -16.085 1.00 31.43 C ATOM 671 O THR A 572 -0.087 -46.042 -16.809 1.00 2.31 O ATOM 672 CB THR A 572 -2.898 -45.308 -17.593 1.00 71.12 C ATOM 673 OG1 THR A 572 -2.805 -46.583 -18.235 1.00 10.24 O ATOM 674 CG2 THR A 572 -2.186 -44.289 -18.471 1.00 4.00 C ATOM 0 H THR A 572 -1.185 -43.614 -16.145 1.00 42.24 H new ATOM 0 HA THR A 572 -3.117 -45.827 -15.573 1.00 4.13 H new ATOM 0 HB THR A 572 -3.935 -44.992 -17.476 1.00 71.12 H new ATOM 0 HG1 THR A 572 -3.183 -46.523 -19.137 1.00 10.24 H new ATOM 0 HG21 THR A 572 -2.647 -44.274 -19.458 1.00 4.00 H new ATOM 0 HG22 THR A 572 -2.265 -43.301 -18.019 1.00 4.00 H new ATOM 0 HG23 THR A 572 -1.135 -44.562 -18.566 1.00 4.00 H new ATOM 682 N ALA A 573 -1.105 -47.243 -15.199 1.00 53.44 N ATOM 683 CA ALA A 573 -0.012 -48.165 -14.909 1.00 74.52 C ATOM 684 C ALA A 573 -0.641 -49.035 -13.839 1.00 13.41 C ATOM 685 O ALA A 573 -1.662 -48.625 -13.271 1.00 72.35 O ATOM 686 CB ALA A 573 1.228 -47.423 -14.335 1.00 52.41 C ATOM 0 H ALA A 573 -1.938 -47.428 -14.640 1.00 53.44 H new ATOM 0 HA ALA A 573 0.355 -48.700 -15.785 1.00 74.52 H new ATOM 0 HB1 ALA A 573 2.021 -48.143 -14.132 1.00 52.41 H new ATOM 0 HB2 ALA A 573 1.581 -46.690 -15.060 1.00 52.41 H new ATOM 0 HB3 ALA A 573 0.953 -46.916 -13.410 1.00 52.41 H new ATOM 692 N LYS A 574 -0.063 -50.176 -13.491 1.00 73.21 N ATOM 693 CA LYS A 574 -0.581 -50.932 -12.386 1.00 4.23 C ATOM 694 C LYS A 574 0.115 -50.365 -11.126 1.00 21.22 C ATOM 695 O LYS A 574 -0.486 -50.292 -10.052 1.00 64.22 O ATOM 696 CB LYS A 574 -0.348 -52.404 -12.674 1.00 45.22 C ATOM 697 CG LYS A 574 0.040 -53.167 -11.523 1.00 54.44 C ATOM 698 CD LYS A 574 -1.094 -53.393 -10.513 1.00 34.33 C ATOM 699 CE LYS A 574 -0.564 -53.458 -9.081 1.00 32.44 C ATOM 700 NZ LYS A 574 0.518 -54.471 -8.922 1.00 44.44 N ATOM 0 H LYS A 574 0.749 -50.583 -13.955 1.00 73.21 H new ATOM 0 HA LYS A 574 -1.656 -50.847 -12.224 1.00 4.23 H new ATOM 0 HB2 LYS A 574 -1.260 -52.831 -13.091 1.00 45.22 H new ATOM 0 HB3 LYS A 574 0.425 -52.497 -13.437 1.00 45.22 H new ATOM 0 HG2 LYS A 574 0.418 -54.135 -11.852 1.00 54.44 H new ATOM 0 HG3 LYS A 574 0.863 -52.657 -11.022 1.00 54.44 H new ATOM 0 HD2 LYS A 574 -1.823 -52.587 -10.596 1.00 34.33 H new ATOM 0 HD3 LYS A 574 -1.616 -54.320 -10.751 1.00 34.33 H new ATOM 0 HE2 LYS A 574 -0.186 -52.478 -8.791 1.00 32.44 H new ATOM 0 HE3 LYS A 574 -1.384 -53.696 -8.403 1.00 32.44 H new ATOM 0 HZ1 LYS A 574 0.406 -54.958 -8.010 1.00 44.44 H new ATOM 0 HZ2 LYS A 574 0.460 -55.165 -9.694 1.00 44.44 H new ATOM 0 HZ3 LYS A 574 1.444 -53.998 -8.951 1.00 44.44 H new ATOM 714 N GLY A 575 1.350 -49.901 -11.293 1.00 32.45 N ATOM 715 CA GLY A 575 2.065 -49.229 -10.210 1.00 65.44 C ATOM 716 C GLY A 575 2.425 -50.090 -9.009 1.00 71.12 C ATOM 717 O GLY A 575 2.357 -51.324 -9.052 1.00 31.21 O ATOM 0 H GLY A 575 1.876 -49.977 -12.164 1.00 32.45 H new ATOM 0 HA2 GLY A 575 2.984 -48.806 -10.616 1.00 65.44 H new ATOM 0 HA3 GLY A 575 1.456 -48.394 -9.863 1.00 65.44 H new ATOM 721 N GLY A 576 2.814 -49.444 -7.918 1.00 54.45 N ATOM 722 CA GLY A 576 3.160 -50.155 -6.696 1.00 71.45 C ATOM 723 C GLY A 576 4.570 -50.712 -6.723 1.00 34.22 C ATOM 724 O GLY A 576 5.505 -50.009 -6.384 1.00 31.11 O ATOM 0 H GLY A 576 2.898 -48.429 -7.855 1.00 54.45 H new ATOM 0 HA2 GLY A 576 3.056 -49.480 -5.846 1.00 71.45 H new ATOM 0 HA3 GLY A 576 2.454 -50.971 -6.543 1.00 71.45 H new ATOM 728 N GLY A 577 4.702 -51.990 -7.063 1.00 20.53 N ATOM 729 CA GLY A 577 5.995 -52.628 -7.281 1.00 50.22 C ATOM 730 C GLY A 577 6.061 -53.228 -8.672 1.00 41.42 C ATOM 731 O GLY A 577 6.896 -54.079 -8.923 1.00 14.22 O ATOM 0 H GLY A 577 3.908 -52.617 -7.196 1.00 20.53 H new ATOM 0 HA2 GLY A 577 6.794 -51.897 -7.155 1.00 50.22 H new ATOM 0 HA3 GLY A 577 6.154 -53.406 -6.535 1.00 50.22 H new ATOM 735 N GLU A 578 5.093 -52.894 -9.515 1.00 24.12 N ATOM 736 CA GLU A 578 4.931 -53.537 -10.826 1.00 14.22 C ATOM 737 C GLU A 578 5.586 -52.794 -11.987 1.00 3.11 C ATOM 738 O GLU A 578 6.371 -53.349 -12.723 1.00 15.43 O ATOM 739 CB GLU A 578 3.443 -53.659 -11.115 1.00 32.23 C ATOM 740 CG GLU A 578 3.011 -54.952 -11.741 1.00 1.22 C ATOM 741 CD GLU A 578 2.405 -55.904 -10.702 1.00 31.34 C ATOM 742 OE1 GLU A 578 2.944 -55.972 -9.570 1.00 31.54 O ATOM 743 OE2 GLU A 578 1.262 -56.375 -10.912 1.00 25.31 O ATOM 0 H GLU A 578 4.398 -52.174 -9.317 1.00 24.12 H new ATOM 0 HA GLU A 578 5.433 -54.502 -10.759 1.00 14.22 H new ATOM 0 HB2 GLU A 578 2.897 -53.527 -10.181 1.00 32.23 H new ATOM 0 HB3 GLU A 578 3.150 -52.841 -11.773 1.00 32.23 H new ATOM 0 HG2 GLU A 578 2.279 -54.752 -12.524 1.00 1.22 H new ATOM 0 HG3 GLU A 578 3.866 -55.430 -12.219 1.00 1.22 H new ATOM 750 N ASP A 579 5.188 -51.544 -12.156 1.00 41.42 N ATOM 751 CA ASP A 579 5.680 -50.682 -13.240 1.00 1.30 C ATOM 752 C ASP A 579 6.968 -50.003 -12.781 1.00 42.24 C ATOM 753 O ASP A 579 7.917 -49.760 -13.522 1.00 0.32 O ATOM 754 CB ASP A 579 4.607 -49.620 -13.498 1.00 12.44 C ATOM 755 CG ASP A 579 4.941 -48.711 -14.657 1.00 44.02 C ATOM 756 OD1 ASP A 579 5.517 -49.182 -15.648 1.00 43.15 O ATOM 757 OD2 ASP A 579 4.606 -47.501 -14.571 1.00 72.44 O ATOM 0 H ASP A 579 4.510 -51.087 -11.546 1.00 41.42 H new ATOM 0 HA ASP A 579 5.879 -51.256 -14.145 1.00 1.30 H new ATOM 0 HB2 ASP A 579 3.655 -50.114 -13.694 1.00 12.44 H new ATOM 0 HB3 ASP A 579 4.475 -49.019 -12.598 1.00 12.44 H new ATOM 762 N PHE A 580 6.972 -49.702 -11.502 1.00 0.34 N ATOM 763 CA PHE A 580 8.067 -49.030 -10.841 1.00 14.22 C ATOM 764 C PHE A 580 7.825 -49.359 -9.391 1.00 50.11 C ATOM 765 O PHE A 580 6.765 -49.892 -9.054 1.00 50.04 O ATOM 766 CB PHE A 580 7.973 -47.515 -11.055 1.00 42.20 C ATOM 767 CG PHE A 580 6.635 -46.959 -10.698 1.00 52.54 C ATOM 768 CD1 PHE A 580 6.267 -46.789 -9.352 1.00 54.22 C ATOM 769 CD2 PHE A 580 5.712 -46.642 -11.698 1.00 4.44 C ATOM 770 CE1 PHE A 580 4.999 -46.331 -9.009 1.00 2.25 C ATOM 771 CE2 PHE A 580 4.437 -46.173 -11.361 1.00 43.15 C ATOM 772 CZ PHE A 580 4.089 -46.013 -10.007 1.00 72.32 C ATOM 0 H PHE A 580 6.196 -49.923 -10.878 1.00 0.34 H new ATOM 0 HA PHE A 580 9.047 -49.335 -11.207 1.00 14.22 H new ATOM 0 HB2 PHE A 580 8.738 -47.021 -10.456 1.00 42.20 H new ATOM 0 HB3 PHE A 580 8.189 -47.287 -12.099 1.00 42.20 H new ATOM 0 HD1 PHE A 580 6.979 -47.017 -8.573 1.00 54.22 H new ATOM 0 HD2 PHE A 580 5.984 -46.759 -12.737 1.00 4.44 H new ATOM 0 HE1 PHE A 580 4.724 -46.223 -7.970 1.00 2.25 H new ATOM 0 HE2 PHE A 580 3.724 -45.935 -12.136 1.00 43.15 H new ATOM 0 HZ PHE A 580 3.110 -45.641 -9.744 1.00 72.32 H new ATOM 782 N GLU A 581 8.748 -48.979 -8.531 1.00 42.45 N ATOM 783 CA GLU A 581 8.525 -49.060 -7.088 1.00 72.23 C ATOM 784 C GLU A 581 8.129 -47.694 -6.559 1.00 62.13 C ATOM 785 O GLU A 581 8.795 -46.700 -6.852 1.00 51.22 O ATOM 786 CB GLU A 581 9.769 -49.574 -6.372 1.00 1.42 C ATOM 787 CG GLU A 581 10.086 -51.019 -6.715 1.00 11.03 C ATOM 788 CD GLU A 581 11.357 -51.523 -6.035 1.00 5.41 C ATOM 789 OE1 GLU A 581 12.008 -50.748 -5.300 1.00 14.23 O ATOM 790 OE2 GLU A 581 11.767 -52.670 -6.327 1.00 40.20 O ATOM 0 H GLU A 581 9.661 -48.611 -8.798 1.00 42.45 H new ATOM 0 HA GLU A 581 7.717 -49.766 -6.896 1.00 72.23 H new ATOM 0 HB2 GLU A 581 10.621 -48.947 -6.636 1.00 1.42 H new ATOM 0 HB3 GLU A 581 9.627 -49.483 -5.295 1.00 1.42 H new ATOM 0 HG2 GLU A 581 9.247 -51.650 -6.421 1.00 11.03 H new ATOM 0 HG3 GLU A 581 10.194 -51.116 -7.795 1.00 11.03 H new ATOM 797 N ASP A 582 7.017 -47.648 -5.828 1.00 31.13 N ATOM 798 CA ASP A 582 6.500 -46.394 -5.274 1.00 45.15 C ATOM 799 C ASP A 582 7.529 -45.771 -4.388 1.00 62.35 C ATOM 800 O ASP A 582 7.931 -46.292 -3.344 1.00 65.11 O ATOM 801 CB ASP A 582 5.220 -46.586 -4.490 1.00 64.22 C ATOM 802 CG ASP A 582 4.617 -45.260 -4.000 1.00 34.42 C ATOM 803 OD1 ASP A 582 5.078 -44.173 -4.426 1.00 52.24 O ATOM 804 OD2 ASP A 582 3.683 -45.305 -3.158 1.00 21.42 O ATOM 0 H ASP A 582 6.453 -48.468 -5.604 1.00 31.13 H new ATOM 0 HA ASP A 582 6.275 -45.742 -6.118 1.00 45.15 H new ATOM 0 HB2 ASP A 582 4.491 -47.103 -5.114 1.00 64.22 H new ATOM 0 HB3 ASP A 582 5.418 -47.229 -3.632 1.00 64.22 H new ATOM 809 N ALA A 583 8.010 -44.672 -4.903 1.00 53.44 N ATOM 810 CA ALA A 583 9.142 -43.997 -4.364 1.00 20.12 C ATOM 811 C ALA A 583 8.750 -42.686 -3.714 1.00 1.42 C ATOM 812 O ALA A 583 8.451 -41.695 -4.383 1.00 74.12 O ATOM 813 CB ALA A 583 10.113 -43.798 -5.439 1.00 64.04 C ATOM 0 H ALA A 583 7.613 -44.218 -5.725 1.00 53.44 H new ATOM 0 HA ALA A 583 9.590 -44.603 -3.577 1.00 20.12 H new ATOM 0 HB1 ALA A 583 10.989 -43.282 -5.047 1.00 64.04 H new ATOM 0 HB2 ALA A 583 10.412 -44.765 -5.843 1.00 64.04 H new ATOM 0 HB3 ALA A 583 9.662 -43.198 -6.230 1.00 64.04 H new ATOM 819 N TYR A 584 8.764 -42.685 -2.395 1.00 62.32 N ATOM 820 CA TYR A 584 8.411 -41.512 -1.627 1.00 14.52 C ATOM 821 C TYR A 584 9.419 -41.296 -0.522 1.00 13.41 C ATOM 822 O TYR A 584 9.920 -42.243 0.080 1.00 44.35 O ATOM 823 CB TYR A 584 6.999 -41.668 -1.060 1.00 54.14 C ATOM 824 CG TYR A 584 6.727 -43.023 -0.442 1.00 21.13 C ATOM 825 CD1 TYR A 584 6.985 -43.284 0.919 1.00 3.54 C ATOM 826 CD2 TYR A 584 6.202 -44.062 -1.232 1.00 41.14 C ATOM 827 CE1 TYR A 584 6.729 -44.573 1.472 1.00 74.13 C ATOM 828 CE2 TYR A 584 5.947 -45.341 -0.694 1.00 64.20 C ATOM 829 CZ TYR A 584 6.214 -45.588 0.653 1.00 25.11 C ATOM 830 OH TYR A 584 5.976 -46.834 1.173 1.00 75.45 O ATOM 0 H TYR A 584 9.020 -43.495 -1.830 1.00 62.32 H new ATOM 0 HA TYR A 584 8.425 -40.636 -2.276 1.00 14.52 H new ATOM 0 HB2 TYR A 584 6.834 -40.897 -0.307 1.00 54.14 H new ATOM 0 HB3 TYR A 584 6.277 -41.493 -1.858 1.00 54.14 H new ATOM 0 HD1 TYR A 584 7.380 -42.500 1.549 1.00 3.54 H new ATOM 0 HD2 TYR A 584 5.989 -43.876 -2.274 1.00 41.14 H new ATOM 0 HE1 TYR A 584 6.931 -44.766 2.515 1.00 74.13 H new ATOM 0 HE2 TYR A 584 5.547 -46.124 -1.321 1.00 64.20 H new ATOM 0 HH TYR A 584 5.619 -47.418 0.472 1.00 75.45 H new ATOM 840 N GLY A 585 9.738 -40.040 -0.270 1.00 45.24 N ATOM 841 CA GLY A 585 10.699 -39.713 0.765 1.00 62.31 C ATOM 842 C GLY A 585 10.739 -38.220 0.914 1.00 71.43 C ATOM 843 O GLY A 585 9.923 -37.534 0.306 1.00 54.44 O ATOM 0 H GLY A 585 9.349 -39.236 -0.763 1.00 45.24 H new ATOM 0 HA2 GLY A 585 10.416 -40.182 1.708 1.00 62.31 H new ATOM 0 HA3 GLY A 585 11.685 -40.095 0.502 1.00 62.31 H new ATOM 847 N GLU A 586 11.679 -37.711 1.693 1.00 64.21 N ATOM 848 CA GLU A 586 11.836 -36.272 1.868 1.00 63.21 C ATOM 849 C GLU A 586 13.213 -35.832 1.429 1.00 14.32 C ATOM 850 O GLU A 586 14.184 -36.579 1.516 1.00 33.54 O ATOM 851 CB GLU A 586 11.613 -35.856 3.319 1.00 21.41 C ATOM 852 CG GLU A 586 10.154 -35.848 3.704 1.00 63.52 C ATOM 853 CD GLU A 586 9.859 -35.009 4.932 1.00 30.45 C ATOM 854 OE1 GLU A 586 10.611 -35.061 5.923 1.00 60.52 O ATOM 855 OE2 GLU A 586 8.848 -34.272 4.891 1.00 30.14 O ATOM 0 H GLU A 586 12.349 -38.274 2.217 1.00 64.21 H new ATOM 0 HA GLU A 586 11.082 -35.787 1.248 1.00 63.21 H new ATOM 0 HB2 GLU A 586 12.154 -36.537 3.975 1.00 21.41 H new ATOM 0 HB3 GLU A 586 12.032 -34.862 3.476 1.00 21.41 H new ATOM 0 HG2 GLU A 586 9.567 -35.471 2.866 1.00 63.52 H new ATOM 0 HG3 GLU A 586 9.828 -36.872 3.886 1.00 63.52 H new ATOM 862 N LEU A 587 13.273 -34.605 0.947 1.00 21.24 N ATOM 863 CA LEU A 587 14.494 -34.020 0.430 1.00 22.13 C ATOM 864 C LEU A 587 14.829 -32.793 1.246 1.00 14.24 C ATOM 865 O LEU A 587 14.008 -31.889 1.368 1.00 61.25 O ATOM 866 CB LEU A 587 14.258 -33.581 -1.011 1.00 12.43 C ATOM 867 CG LEU A 587 13.768 -34.647 -1.994 1.00 5.12 C ATOM 868 CD1 LEU A 587 13.165 -33.955 -3.184 1.00 14.35 C ATOM 869 CD2 LEU A 587 14.868 -35.583 -2.449 1.00 15.54 C ATOM 0 H LEU A 587 12.467 -33.981 0.903 1.00 21.24 H new ATOM 0 HA LEU A 587 15.304 -34.747 0.481 1.00 22.13 H new ATOM 0 HB2 LEU A 587 13.531 -32.769 -1.002 1.00 12.43 H new ATOM 0 HB3 LEU A 587 15.191 -33.169 -1.396 1.00 12.43 H new ATOM 0 HG LEU A 587 13.030 -35.263 -1.480 1.00 5.12 H new ATOM 0 HD11 LEU A 587 12.810 -34.700 -3.896 1.00 14.35 H new ATOM 0 HD12 LEU A 587 12.329 -33.335 -2.860 1.00 14.35 H new ATOM 0 HD13 LEU A 587 13.918 -33.328 -3.660 1.00 14.35 H new ATOM 0 HD21 LEU A 587 14.458 -36.316 -3.144 1.00 15.54 H new ATOM 0 HD22 LEU A 587 15.651 -35.010 -2.946 1.00 15.54 H new ATOM 0 HD23 LEU A 587 15.288 -36.098 -1.585 1.00 15.54 H new ATOM 881 N GLU A 588 16.028 -32.739 1.792 1.00 52.53 N ATOM 882 CA GLU A 588 16.468 -31.553 2.510 1.00 54.23 C ATOM 883 C GLU A 588 17.019 -30.545 1.505 1.00 35.53 C ATOM 884 O GLU A 588 17.927 -30.853 0.733 1.00 31.24 O ATOM 885 CB GLU A 588 17.551 -31.891 3.538 1.00 13.32 C ATOM 886 CG GLU A 588 17.883 -30.700 4.433 1.00 44.42 C ATOM 887 CD GLU A 588 19.109 -30.922 5.303 1.00 55.55 C ATOM 888 OE1 GLU A 588 20.202 -31.140 4.747 1.00 52.23 O ATOM 889 OE2 GLU A 588 19.021 -30.702 6.531 1.00 15.12 O ATOM 0 H GLU A 588 16.712 -33.495 1.754 1.00 52.53 H new ATOM 0 HA GLU A 588 15.615 -31.135 3.045 1.00 54.23 H new ATOM 0 HB2 GLU A 588 17.217 -32.726 4.155 1.00 13.32 H new ATOM 0 HB3 GLU A 588 18.453 -32.218 3.020 1.00 13.32 H new ATOM 0 HG2 GLU A 588 18.043 -29.820 3.810 1.00 44.42 H new ATOM 0 HG3 GLU A 588 17.027 -30.486 5.073 1.00 44.42 H new ATOM 896 N PHE A 589 16.490 -29.336 1.547 1.00 73.44 N ATOM 897 CA PHE A 589 16.993 -28.233 0.734 1.00 32.22 C ATOM 898 C PHE A 589 17.499 -27.145 1.660 1.00 22.32 C ATOM 899 O PHE A 589 16.730 -26.528 2.388 1.00 53.25 O ATOM 900 CB PHE A 589 15.891 -27.634 -0.131 1.00 2.04 C ATOM 901 CG PHE A 589 15.454 -28.511 -1.263 1.00 51.23 C ATOM 902 CD1 PHE A 589 14.473 -29.499 -1.074 1.00 31.54 C ATOM 903 CD2 PHE A 589 15.989 -28.315 -2.551 1.00 72.12 C ATOM 904 CE1 PHE A 589 14.019 -30.274 -2.154 1.00 74.02 C ATOM 905 CE2 PHE A 589 15.536 -29.090 -3.637 1.00 4.52 C ATOM 906 CZ PHE A 589 14.551 -30.075 -3.429 1.00 12.31 C ATOM 0 H PHE A 589 15.701 -29.087 2.143 1.00 73.44 H new ATOM 0 HA PHE A 589 17.783 -28.615 0.088 1.00 32.22 H new ATOM 0 HB2 PHE A 589 15.028 -27.416 0.499 1.00 2.04 H new ATOM 0 HB3 PHE A 589 16.239 -26.684 -0.536 1.00 2.04 H new ATOM 0 HD1 PHE A 589 14.064 -29.664 -0.088 1.00 31.54 H new ATOM 0 HD2 PHE A 589 16.751 -27.566 -2.707 1.00 72.12 H new ATOM 0 HE1 PHE A 589 13.258 -31.024 -1.998 1.00 74.02 H new ATOM 0 HE2 PHE A 589 15.942 -28.929 -4.625 1.00 4.52 H new ATOM 0 HZ PHE A 589 14.207 -30.677 -4.257 1.00 12.31 H new ATOM 916 N LYS A 590 18.787 -26.876 1.584 1.00 30.15 N ATOM 917 CA LYS A 590 19.447 -25.837 2.376 1.00 52.13 C ATOM 918 C LYS A 590 19.725 -24.706 1.404 1.00 15.04 C ATOM 919 O LYS A 590 19.401 -24.812 0.232 1.00 12.13 O ATOM 920 CB LYS A 590 20.752 -26.406 2.954 1.00 32.43 C ATOM 921 CG LYS A 590 21.177 -25.857 4.312 1.00 41.00 C ATOM 922 CD LYS A 590 21.864 -26.946 5.157 1.00 44.23 C ATOM 923 CE LYS A 590 20.842 -27.936 5.739 1.00 70.15 C ATOM 924 NZ LYS A 590 21.469 -29.129 6.399 1.00 51.13 N ATOM 0 H LYS A 590 19.422 -27.377 0.962 1.00 30.15 H new ATOM 0 HA LYS A 590 18.842 -25.489 3.214 1.00 52.13 H new ATOM 0 HB2 LYS A 590 20.648 -27.488 3.038 1.00 32.43 H new ATOM 0 HB3 LYS A 590 21.555 -26.218 2.241 1.00 32.43 H new ATOM 0 HG2 LYS A 590 21.857 -25.017 4.172 1.00 41.00 H new ATOM 0 HG3 LYS A 590 20.305 -25.476 4.843 1.00 41.00 H new ATOM 0 HD2 LYS A 590 22.584 -27.485 4.542 1.00 44.23 H new ATOM 0 HD3 LYS A 590 22.423 -26.480 5.968 1.00 44.23 H new ATOM 0 HE2 LYS A 590 20.218 -27.416 6.466 1.00 70.15 H new ATOM 0 HE3 LYS A 590 20.184 -28.277 4.940 1.00 70.15 H new ATOM 0 HZ1 LYS A 590 20.724 -29.753 6.768 1.00 51.13 H new ATOM 0 HZ2 LYS A 590 22.043 -29.648 5.704 1.00 51.13 H new ATOM 0 HZ3 LYS A 590 22.076 -28.813 7.183 1.00 51.13 H new ATOM 938 N ASN A 591 20.338 -23.640 1.887 1.00 54.42 N ATOM 939 CA ASN A 591 20.711 -22.498 1.055 1.00 25.23 C ATOM 940 C ASN A 591 21.441 -22.874 -0.247 1.00 61.43 C ATOM 941 O ASN A 591 20.993 -22.516 -1.325 1.00 24.12 O ATOM 942 CB ASN A 591 21.622 -21.594 1.883 1.00 43.31 C ATOM 943 CG ASN A 591 21.893 -20.272 1.211 1.00 45.33 C ATOM 944 OD1 ASN A 591 20.892 -19.704 0.610 1.00 5.15 O flip ATOM 945 ND2 ASN A 591 22.984 -19.754 1.264 1.00 42.51 N flip ATOM 0 H ASN A 591 20.594 -23.537 2.869 1.00 54.42 H new ATOM 0 HA ASN A 591 19.786 -22.006 0.754 1.00 25.23 H new ATOM 0 HB2 ASN A 591 21.164 -21.416 2.856 1.00 43.31 H new ATOM 0 HB3 ASN A 591 22.567 -22.105 2.065 1.00 43.31 H new ATOM 0 HD21 ASN A 591 23.750 -20.226 1.744 1.00 42.51 H new ATOM 0 HD22 ASN A 591 23.138 -18.845 0.829 1.00 42.51 H new ATOM 952 N ASP A 592 22.566 -23.568 -0.133 1.00 64.54 N ATOM 953 CA ASP A 592 23.384 -23.958 -1.295 1.00 43.43 C ATOM 954 C ASP A 592 22.813 -25.215 -1.947 1.00 63.31 C ATOM 955 O ASP A 592 22.878 -25.418 -3.152 1.00 24.43 O ATOM 956 CB ASP A 592 24.808 -24.252 -0.822 1.00 72.41 C ATOM 957 CG ASP A 592 25.337 -23.181 0.109 1.00 61.42 C ATOM 958 OD1 ASP A 592 25.025 -23.263 1.324 1.00 0.21 O ATOM 959 OD2 ASP A 592 26.004 -22.240 -0.362 1.00 22.31 O ATOM 0 H ASP A 592 22.944 -23.880 0.761 1.00 64.54 H new ATOM 0 HA ASP A 592 23.382 -23.145 -2.021 1.00 43.43 H new ATOM 0 HB2 ASP A 592 24.828 -25.215 -0.312 1.00 72.41 H new ATOM 0 HB3 ASP A 592 25.466 -24.336 -1.687 1.00 72.41 H new ATOM 964 N GLU A 593 22.202 -26.016 -1.096 1.00 54.52 N ATOM 965 CA GLU A 593 21.531 -27.291 -1.437 1.00 42.51 C ATOM 966 C GLU A 593 20.200 -27.083 -2.164 1.00 11.44 C ATOM 967 O GLU A 593 19.306 -27.922 -2.118 1.00 71.23 O ATOM 968 CB GLU A 593 21.358 -28.165 -0.198 1.00 45.34 C ATOM 969 CG GLU A 593 22.651 -28.762 0.322 1.00 11.12 C ATOM 970 CD GLU A 593 22.893 -30.138 -0.264 1.00 23.32 C ATOM 971 OE1 GLU A 593 23.057 -30.249 -1.496 1.00 70.52 O ATOM 972 OE2 GLU A 593 22.781 -31.127 0.486 1.00 21.44 O ATOM 0 H GLU A 593 22.148 -25.802 -0.100 1.00 54.52 H new ATOM 0 HA GLU A 593 22.184 -27.814 -2.136 1.00 42.51 H new ATOM 0 HB2 GLU A 593 20.901 -27.570 0.593 1.00 45.34 H new ATOM 0 HB3 GLU A 593 20.664 -28.973 -0.430 1.00 45.34 H new ATOM 0 HG2 GLU A 593 23.484 -28.105 0.072 1.00 11.12 H new ATOM 0 HG3 GLU A 593 22.613 -28.828 1.409 1.00 11.12 H new ATOM 979 N THR A 594 20.017 -25.882 -2.685 1.00 34.03 N ATOM 980 CA THR A 594 18.764 -25.423 -3.279 1.00 1.32 C ATOM 981 C THR A 594 18.488 -26.106 -4.641 1.00 14.13 C ATOM 982 O THR A 594 17.567 -25.727 -5.368 1.00 54.12 O ATOM 983 CB THR A 594 18.865 -23.871 -3.460 1.00 33.21 C ATOM 984 OG1 THR A 594 17.645 -23.324 -3.946 1.00 13.02 O ATOM 985 CG2 THR A 594 19.935 -23.491 -4.439 1.00 33.11 C ATOM 0 H THR A 594 20.753 -25.177 -2.709 1.00 34.03 H new ATOM 0 HA THR A 594 17.934 -25.686 -2.623 1.00 1.32 H new ATOM 0 HB THR A 594 19.099 -23.474 -2.472 1.00 33.21 H new ATOM 0 HG1 THR A 594 17.581 -23.474 -4.912 1.00 13.02 H new ATOM 0 HG21 THR A 594 19.972 -22.406 -4.535 1.00 33.11 H new ATOM 0 HG22 THR A 594 20.899 -23.857 -4.085 1.00 33.11 H new ATOM 0 HG23 THR A 594 19.714 -23.934 -5.410 1.00 33.11 H new ATOM 993 N VAL A 595 19.227 -27.169 -4.933 1.00 53.35 N ATOM 994 CA VAL A 595 18.947 -28.043 -6.063 1.00 21.25 C ATOM 995 C VAL A 595 19.079 -29.491 -5.559 1.00 3.42 C ATOM 996 O VAL A 595 19.928 -29.783 -4.714 1.00 4.24 O ATOM 997 CB VAL A 595 19.907 -27.721 -7.234 1.00 24.33 C ATOM 998 CG1 VAL A 595 21.365 -28.114 -6.922 1.00 71.01 C ATOM 999 CG2 VAL A 595 19.433 -28.389 -8.532 1.00 13.23 C ATOM 0 H VAL A 595 20.042 -27.450 -4.388 1.00 53.35 H new ATOM 0 HA VAL A 595 17.940 -27.894 -6.452 1.00 21.25 H new ATOM 0 HB VAL A 595 19.887 -26.640 -7.370 1.00 24.33 H new ATOM 0 HG11 VAL A 595 21.998 -27.868 -7.774 1.00 71.01 H new ATOM 0 HG12 VAL A 595 21.709 -27.567 -6.044 1.00 71.01 H new ATOM 0 HG13 VAL A 595 21.419 -29.185 -6.727 1.00 71.01 H new ATOM 0 HG21 VAL A 595 20.124 -28.147 -9.339 1.00 13.23 H new ATOM 0 HG22 VAL A 595 19.400 -29.470 -8.394 1.00 13.23 H new ATOM 0 HG23 VAL A 595 18.437 -28.025 -8.786 1.00 13.23 H new ATOM 1009 N LYS A 596 18.206 -30.381 -6.019 1.00 3.24 N ATOM 1010 CA LYS A 596 18.202 -31.774 -5.559 1.00 73.04 C ATOM 1011 C LYS A 596 17.579 -32.647 -6.638 1.00 24.41 C ATOM 1012 O LYS A 596 17.193 -32.142 -7.678 1.00 51.00 O ATOM 1013 CB LYS A 596 17.403 -31.868 -4.250 1.00 42.40 C ATOM 1014 CG LYS A 596 17.704 -33.082 -3.358 1.00 74.14 C ATOM 1015 CD LYS A 596 19.158 -33.183 -2.897 1.00 73.51 C ATOM 1016 CE LYS A 596 19.512 -32.038 -1.980 1.00 43.41 C ATOM 1017 NZ LYS A 596 20.881 -32.189 -1.399 1.00 11.32 N ATOM 0 H LYS A 596 17.489 -30.166 -6.712 1.00 3.24 H new ATOM 0 HA LYS A 596 19.219 -32.119 -5.372 1.00 73.04 H new ATOM 0 HB2 LYS A 596 17.587 -30.963 -3.671 1.00 42.40 H new ATOM 0 HB3 LYS A 596 16.341 -31.879 -4.497 1.00 42.40 H new ATOM 0 HG2 LYS A 596 17.059 -33.041 -2.480 1.00 74.14 H new ATOM 0 HG3 LYS A 596 17.444 -33.990 -3.902 1.00 74.14 H new ATOM 0 HD2 LYS A 596 19.315 -34.130 -2.381 1.00 73.51 H new ATOM 0 HD3 LYS A 596 19.820 -33.179 -3.763 1.00 73.51 H new ATOM 0 HE2 LYS A 596 19.454 -31.100 -2.532 1.00 43.41 H new ATOM 0 HE3 LYS A 596 18.780 -31.979 -1.174 1.00 43.41 H new ATOM 0 HZ1 LYS A 596 20.877 -31.863 -0.411 1.00 11.32 H new ATOM 0 HZ2 LYS A 596 21.164 -33.189 -1.433 1.00 11.32 H new ATOM 0 HZ3 LYS A 596 21.556 -31.620 -1.948 1.00 11.32 H new ATOM 1031 N THR A 597 17.478 -33.943 -6.394 1.00 20.23 N ATOM 1032 CA THR A 597 16.915 -34.879 -7.342 1.00 51.44 C ATOM 1033 C THR A 597 16.069 -35.916 -6.617 1.00 43.33 C ATOM 1034 O THR A 597 16.299 -36.196 -5.444 1.00 41.34 O ATOM 1035 CB THR A 597 18.065 -35.613 -8.034 1.00 44.43 C ATOM 1036 OG1 THR A 597 19.298 -35.255 -7.401 1.00 64.53 O ATOM 1037 CG2 THR A 597 18.182 -35.263 -9.517 1.00 2.14 C ATOM 0 H THR A 597 17.788 -34.375 -5.524 1.00 20.23 H new ATOM 0 HA THR A 597 16.298 -34.337 -8.059 1.00 51.44 H new ATOM 0 HB THR A 597 17.858 -36.680 -7.950 1.00 44.43 H new ATOM 0 HG1 THR A 597 20.039 -35.724 -7.839 1.00 64.53 H new ATOM 0 HG21 THR A 597 19.014 -35.813 -9.956 1.00 2.14 H new ATOM 0 HG22 THR A 597 17.258 -35.533 -10.029 1.00 2.14 H new ATOM 0 HG23 THR A 597 18.357 -34.193 -9.626 1.00 2.14 H new ATOM 1045 N ILE A 598 15.114 -36.491 -7.334 1.00 60.32 N ATOM 1046 CA ILE A 598 14.265 -37.573 -6.822 1.00 22.44 C ATOM 1047 C ILE A 598 14.579 -38.773 -7.664 1.00 14.10 C ATOM 1048 O ILE A 598 14.684 -38.641 -8.865 1.00 1.45 O ATOM 1049 CB ILE A 598 12.757 -37.255 -6.981 1.00 35.32 C ATOM 1050 CG1 ILE A 598 12.391 -36.173 -5.969 1.00 15.53 C ATOM 1051 CG2 ILE A 598 11.886 -38.539 -6.803 1.00 34.25 C ATOM 1052 CD1 ILE A 598 11.044 -35.521 -6.158 1.00 0.22 C ATOM 0 H ILE A 598 14.900 -36.223 -8.295 1.00 60.32 H new ATOM 0 HA ILE A 598 14.459 -37.722 -5.760 1.00 22.44 H new ATOM 0 HB ILE A 598 12.556 -36.890 -7.988 1.00 35.32 H new ATOM 0 HG12 ILE A 598 12.424 -36.610 -4.971 1.00 15.53 H new ATOM 0 HG13 ILE A 598 13.156 -35.397 -6.003 1.00 15.53 H new ATOM 0 HG21 ILE A 598 10.833 -38.283 -6.920 1.00 34.25 H new ATOM 0 HG22 ILE A 598 12.166 -39.276 -7.555 1.00 34.25 H new ATOM 0 HG23 ILE A 598 12.050 -38.955 -5.809 1.00 34.25 H new ATOM 0 HD11 ILE A 598 10.892 -34.770 -5.383 1.00 0.22 H new ATOM 0 HD12 ILE A 598 11.004 -35.045 -7.138 1.00 0.22 H new ATOM 0 HD13 ILE A 598 10.261 -36.277 -6.090 1.00 0.22 H new ATOM 1064 N ARG A 599 14.708 -39.932 -7.034 1.00 13.35 N ATOM 1065 CA ARG A 599 14.978 -41.187 -7.741 1.00 63.15 C ATOM 1066 C ARG A 599 13.826 -42.167 -7.569 1.00 15.42 C ATOM 1067 O ARG A 599 13.321 -42.324 -6.462 1.00 74.32 O ATOM 1068 CB ARG A 599 16.262 -41.823 -7.206 1.00 50.12 C ATOM 1069 CG ARG A 599 17.477 -41.182 -7.802 1.00 52.01 C ATOM 1070 CD ARG A 599 18.769 -41.871 -7.465 1.00 22.42 C ATOM 1071 NE ARG A 599 19.850 -41.203 -8.203 1.00 1.33 N ATOM 1072 CZ ARG A 599 21.032 -41.716 -8.497 1.00 71.35 C ATOM 1073 NH1 ARG A 599 21.395 -42.923 -8.131 1.00 72.24 N ATOM 1074 NH2 ARG A 599 21.862 -40.987 -9.186 1.00 21.10 N ATOM 0 H ARG A 599 14.630 -40.034 -6.022 1.00 13.35 H new ATOM 0 HA ARG A 599 15.092 -40.959 -8.801 1.00 63.15 H new ATOM 0 HB2 ARG A 599 16.293 -41.727 -6.121 1.00 50.12 H new ATOM 0 HB3 ARG A 599 16.263 -42.889 -7.432 1.00 50.12 H new ATOM 0 HG2 ARG A 599 17.365 -41.156 -8.886 1.00 52.01 H new ATOM 0 HG3 ARG A 599 17.531 -40.148 -7.462 1.00 52.01 H new ATOM 0 HD2 ARG A 599 18.956 -41.825 -6.392 1.00 22.42 H new ATOM 0 HD3 ARG A 599 18.719 -42.926 -7.735 1.00 22.42 H new ATOM 0 HE ARG A 599 19.671 -40.250 -8.519 1.00 1.33 H new ATOM 0 HH11 ARG A 599 20.753 -43.508 -7.596 1.00 72.24 H new ATOM 0 HH12 ARG A 599 22.319 -43.276 -8.382 1.00 72.24 H new ATOM 0 HH21 ARG A 599 21.592 -40.049 -9.482 1.00 21.10 H new ATOM 0 HH22 ARG A 599 22.782 -41.354 -9.429 1.00 21.10 H new ATOM 1088 N VAL A 600 13.440 -42.828 -8.653 1.00 32.01 N ATOM 1089 CA VAL A 600 12.382 -43.857 -8.629 1.00 41.21 C ATOM 1090 C VAL A 600 12.899 -45.068 -9.409 1.00 12.34 C ATOM 1091 O VAL A 600 13.377 -44.910 -10.532 1.00 42.02 O ATOM 1092 CB VAL A 600 11.047 -43.339 -9.283 1.00 11.55 C ATOM 1093 CG1 VAL A 600 9.971 -44.384 -9.240 1.00 74.44 C ATOM 1094 CG2 VAL A 600 10.598 -42.034 -8.627 1.00 14.23 C ATOM 0 H VAL A 600 13.844 -42.674 -9.577 1.00 32.01 H new ATOM 0 HA VAL A 600 12.155 -44.115 -7.595 1.00 41.21 H new ATOM 0 HB VAL A 600 11.243 -43.132 -10.335 1.00 11.55 H new ATOM 0 HG11 VAL A 600 9.064 -43.992 -9.700 1.00 74.44 H new ATOM 0 HG12 VAL A 600 10.301 -45.269 -9.785 1.00 74.44 H new ATOM 0 HG13 VAL A 600 9.765 -44.652 -8.204 1.00 74.44 H new ATOM 0 HG21 VAL A 600 9.674 -41.692 -9.093 1.00 14.23 H new ATOM 0 HG22 VAL A 600 10.428 -42.201 -7.563 1.00 14.23 H new ATOM 0 HG23 VAL A 600 11.371 -41.277 -8.756 1.00 14.23 H new ATOM 1104 N LYS A 601 12.853 -46.254 -8.813 1.00 23.13 N ATOM 1105 CA LYS A 601 13.338 -47.467 -9.484 1.00 72.01 C ATOM 1106 C LYS A 601 12.257 -47.955 -10.434 1.00 72.31 C ATOM 1107 O LYS A 601 11.107 -48.068 -10.030 1.00 33.13 O ATOM 1108 CB LYS A 601 13.643 -48.577 -8.468 1.00 73.31 C ATOM 1109 CG LYS A 601 14.524 -49.702 -9.044 1.00 73.24 C ATOM 1110 CD LYS A 601 14.138 -51.090 -8.522 1.00 74.24 C ATOM 1111 CE LYS A 601 13.055 -51.722 -9.400 1.00 33.53 C ATOM 1112 NZ LYS A 601 12.694 -53.117 -8.968 1.00 32.15 N ATOM 0 H LYS A 601 12.488 -46.407 -7.873 1.00 23.13 H new ATOM 0 HA LYS A 601 14.256 -47.229 -10.021 1.00 72.01 H new ATOM 0 HB2 LYS A 601 14.142 -48.141 -7.602 1.00 73.31 H new ATOM 0 HB3 LYS A 601 12.705 -49.004 -8.114 1.00 73.31 H new ATOM 0 HG2 LYS A 601 14.449 -49.695 -10.131 1.00 73.24 H new ATOM 0 HG3 LYS A 601 15.567 -49.503 -8.795 1.00 73.24 H new ATOM 0 HD2 LYS A 601 15.018 -51.733 -8.503 1.00 74.24 H new ATOM 0 HD3 LYS A 601 13.779 -51.010 -7.496 1.00 74.24 H new ATOM 0 HE2 LYS A 601 12.163 -51.097 -9.375 1.00 33.53 H new ATOM 0 HE3 LYS A 601 13.399 -51.745 -10.434 1.00 33.53 H new ATOM 0 HZ1 LYS A 601 12.130 -53.576 -9.712 1.00 32.15 H new ATOM 0 HZ2 LYS A 601 13.562 -53.665 -8.805 1.00 32.15 H new ATOM 0 HZ3 LYS A 601 12.140 -53.076 -8.089 1.00 32.15 H new ATOM 1126 N ILE A 602 12.624 -48.255 -11.667 1.00 52.34 N ATOM 1127 CA ILE A 602 11.679 -48.774 -12.653 1.00 13.05 C ATOM 1128 C ILE A 602 11.810 -50.288 -12.587 1.00 1.05 C ATOM 1129 O ILE A 602 12.922 -50.805 -12.497 1.00 63.52 O ATOM 1130 CB ILE A 602 11.989 -48.258 -14.092 1.00 21.05 C ATOM 1131 CG1 ILE A 602 12.192 -46.720 -14.088 1.00 64.34 C ATOM 1132 CG2 ILE A 602 10.841 -48.671 -15.062 1.00 71.21 C ATOM 1133 CD1 ILE A 602 10.997 -45.901 -13.594 1.00 43.44 C ATOM 0 H ILE A 602 13.576 -48.149 -12.016 1.00 52.34 H new ATOM 0 HA ILE A 602 10.666 -48.438 -12.431 1.00 13.05 H new ATOM 0 HB ILE A 602 12.916 -48.714 -14.441 1.00 21.05 H new ATOM 0 HG12 ILE A 602 13.054 -46.486 -13.463 1.00 64.34 H new ATOM 0 HG13 ILE A 602 12.436 -46.400 -15.101 1.00 64.34 H new ATOM 0 HG21 ILE A 602 11.064 -48.307 -16.065 1.00 71.21 H new ATOM 0 HG22 ILE A 602 10.754 -49.757 -15.081 1.00 71.21 H new ATOM 0 HG23 ILE A 602 9.901 -48.237 -14.719 1.00 71.21 H new ATOM 0 HD11 ILE A 602 11.243 -44.840 -13.631 1.00 43.44 H new ATOM 0 HD12 ILE A 602 10.134 -46.096 -14.231 1.00 43.44 H new ATOM 0 HD13 ILE A 602 10.762 -46.183 -12.568 1.00 43.44 H new ATOM 1145 N VAL A 603 10.688 -50.981 -12.527 1.00 41.32 N ATOM 1146 CA VAL A 603 10.673 -52.437 -12.376 1.00 51.24 C ATOM 1147 C VAL A 603 10.725 -53.095 -13.757 1.00 21.41 C ATOM 1148 O VAL A 603 10.149 -52.599 -14.716 1.00 2.02 O ATOM 1149 CB VAL A 603 9.395 -52.863 -11.598 1.00 45.30 C ATOM 1150 CG1 VAL A 603 9.256 -54.385 -11.491 1.00 70.01 C ATOM 1151 CG2 VAL A 603 9.414 -52.273 -10.176 1.00 73.31 C ATOM 0 H VAL A 603 9.761 -50.559 -12.581 1.00 41.32 H new ATOM 0 HA VAL A 603 11.545 -52.763 -11.809 1.00 51.24 H new ATOM 0 HB VAL A 603 8.545 -52.478 -12.162 1.00 45.30 H new ATOM 0 HG11 VAL A 603 8.348 -54.630 -10.939 1.00 70.01 H new ATOM 0 HG12 VAL A 603 9.201 -54.816 -12.490 1.00 70.01 H new ATOM 0 HG13 VAL A 603 10.120 -54.793 -10.967 1.00 70.01 H new ATOM 0 HG21 VAL A 603 8.514 -52.579 -9.643 1.00 73.31 H new ATOM 0 HG22 VAL A 603 10.293 -52.636 -9.643 1.00 73.31 H new ATOM 0 HG23 VAL A 603 9.449 -51.185 -10.234 1.00 73.31 H new ATOM 1295 N GLU A 612 3.179 -47.465 -20.087 1.00 54.32 N ATOM 1296 CA GLU A 612 2.722 -47.092 -18.752 1.00 33.23 C ATOM 1297 C GLU A 612 3.197 -45.658 -18.442 1.00 20.14 C ATOM 1298 O GLU A 612 4.129 -45.131 -19.061 1.00 12.01 O ATOM 1299 CB GLU A 612 3.171 -48.131 -17.710 1.00 71.14 C ATOM 1300 CG GLU A 612 2.454 -49.492 -17.922 1.00 50.03 C ATOM 1301 CD GLU A 612 2.623 -50.517 -16.775 1.00 55.33 C ATOM 1302 OE1 GLU A 612 2.078 -50.294 -15.658 1.00 43.23 O ATOM 1303 OE2 GLU A 612 3.105 -51.632 -17.064 1.00 74.44 O ATOM 0 HA GLU A 612 1.633 -47.091 -18.709 1.00 33.23 H new ATOM 0 HB2 GLU A 612 4.250 -48.272 -17.776 1.00 71.14 H new ATOM 0 HB3 GLU A 612 2.959 -47.759 -16.708 1.00 71.14 H new ATOM 0 HG2 GLU A 612 1.390 -49.304 -18.065 1.00 50.03 H new ATOM 0 HG3 GLU A 612 2.825 -49.939 -18.844 1.00 50.03 H new ATOM 1310 N ASN A 613 2.441 -44.992 -17.582 1.00 72.01 N ATOM 1311 CA ASN A 613 2.560 -43.555 -17.324 1.00 13.10 C ATOM 1312 C ASN A 613 2.408 -43.299 -15.840 1.00 31.13 C ATOM 1313 O ASN A 613 1.447 -43.734 -15.193 1.00 72.10 O ATOM 1314 CB ASN A 613 1.458 -42.834 -18.094 1.00 33.22 C ATOM 1315 CG ASN A 613 0.864 -41.670 -17.345 1.00 24.55 C ATOM 1316 OD1 ASN A 613 -0.212 -41.778 -16.774 1.00 33.24 O ATOM 1317 ND2 ASN A 613 1.517 -40.546 -17.388 1.00 55.41 N ATOM 0 H ASN A 613 1.710 -45.440 -17.029 1.00 72.01 H new ATOM 0 HA ASN A 613 3.535 -43.189 -17.647 1.00 13.10 H new ATOM 0 HB2 ASN A 613 1.861 -42.478 -19.042 1.00 33.22 H new ATOM 0 HB3 ASN A 613 0.667 -43.545 -18.331 1.00 33.22 H new ATOM 0 HD21 ASN A 613 1.134 -39.716 -16.936 1.00 55.41 H new ATOM 0 HD22 ASN A 613 2.412 -40.495 -17.874 1.00 55.41 H new ATOM 1324 N PHE A 614 3.351 -42.550 -15.318 1.00 25.34 N ATOM 1325 CA PHE A 614 3.333 -42.159 -13.922 1.00 21.14 C ATOM 1326 C PHE A 614 4.011 -40.819 -13.781 1.00 14.03 C ATOM 1327 O PHE A 614 4.668 -40.349 -14.692 1.00 75.44 O ATOM 1328 CB PHE A 614 4.012 -43.219 -13.045 1.00 42.21 C ATOM 1329 CG PHE A 614 5.512 -43.121 -12.998 1.00 32.21 C ATOM 1330 CD1 PHE A 614 6.132 -42.309 -12.031 1.00 62.22 C ATOM 1331 CD2 PHE A 614 6.317 -43.869 -13.876 1.00 41.34 C ATOM 1332 CE1 PHE A 614 7.533 -42.244 -11.924 1.00 75.11 C ATOM 1333 CE2 PHE A 614 7.729 -43.809 -13.777 1.00 4.12 C ATOM 1334 CZ PHE A 614 8.328 -42.998 -12.785 1.00 73.34 C ATOM 0 H PHE A 614 4.150 -42.194 -15.843 1.00 25.34 H new ATOM 0 HA PHE A 614 2.301 -42.077 -13.582 1.00 21.14 H new ATOM 0 HB2 PHE A 614 3.623 -43.136 -12.030 1.00 42.21 H new ATOM 0 HB3 PHE A 614 3.736 -44.207 -13.412 1.00 42.21 H new ATOM 0 HD1 PHE A 614 5.521 -41.725 -11.359 1.00 62.22 H new ATOM 0 HD2 PHE A 614 5.857 -44.492 -14.629 1.00 41.34 H new ATOM 0 HE1 PHE A 614 7.991 -41.612 -11.177 1.00 75.11 H new ATOM 0 HE2 PHE A 614 8.345 -44.380 -14.456 1.00 4.12 H new ATOM 0 HZ PHE A 614 9.404 -42.963 -12.695 1.00 73.34 H new ATOM 1344 N PHE A 615 3.826 -40.179 -12.648 1.00 0.01 N ATOM 1345 CA PHE A 615 4.400 -38.876 -12.398 1.00 61.32 C ATOM 1346 C PHE A 615 4.811 -38.847 -10.945 1.00 72.35 C ATOM 1347 O PHE A 615 4.480 -39.743 -10.209 1.00 62.54 O ATOM 1348 CB PHE A 615 3.385 -37.767 -12.683 1.00 34.10 C ATOM 1349 CG PHE A 615 1.976 -38.254 -12.927 1.00 62.05 C ATOM 1350 CD1 PHE A 615 1.624 -38.812 -14.166 1.00 2.21 C ATOM 1351 CD2 PHE A 615 0.987 -38.128 -11.937 1.00 31.10 C ATOM 1352 CE1 PHE A 615 0.313 -39.251 -14.423 1.00 0.01 C ATOM 1353 CE2 PHE A 615 -0.342 -38.560 -12.184 1.00 73.42 C ATOM 1354 CZ PHE A 615 -0.674 -39.124 -13.431 1.00 73.04 C ATOM 0 H PHE A 615 3.273 -40.547 -11.874 1.00 0.01 H new ATOM 0 HA PHE A 615 5.255 -38.705 -13.052 1.00 61.32 H new ATOM 0 HB2 PHE A 615 3.376 -37.075 -11.841 1.00 34.10 H new ATOM 0 HB3 PHE A 615 3.717 -37.203 -13.555 1.00 34.10 H new ATOM 0 HD1 PHE A 615 2.375 -38.906 -14.937 1.00 2.21 H new ATOM 0 HD2 PHE A 615 1.241 -37.698 -10.979 1.00 31.10 H new ATOM 0 HE1 PHE A 615 0.065 -39.685 -15.381 1.00 0.01 H new ATOM 0 HE2 PHE A 615 -1.096 -38.457 -11.418 1.00 73.42 H new ATOM 0 HZ PHE A 615 -1.683 -39.457 -13.624 1.00 73.04 H new ATOM 1364 N ILE A 616 5.528 -37.823 -10.517 1.00 73.12 N ATOM 1365 CA ILE A 616 5.926 -37.718 -9.115 1.00 22.12 C ATOM 1366 C ILE A 616 5.533 -36.338 -8.666 1.00 2.24 C ATOM 1367 O ILE A 616 5.985 -35.356 -9.236 1.00 64.44 O ATOM 1368 CB ILE A 616 7.460 -37.859 -8.942 1.00 22.43 C ATOM 1369 CG1 ILE A 616 8.009 -39.034 -9.771 1.00 24.14 C ATOM 1370 CG2 ILE A 616 7.822 -38.037 -7.455 1.00 32.03 C ATOM 1371 CD1 ILE A 616 9.487 -38.984 -9.915 1.00 53.32 C ATOM 0 H ILE A 616 5.847 -37.056 -11.110 1.00 73.12 H new ATOM 0 HA ILE A 616 5.448 -38.510 -8.539 1.00 22.12 H new ATOM 0 HB ILE A 616 7.923 -36.943 -9.308 1.00 22.43 H new ATOM 0 HG12 ILE A 616 7.724 -39.974 -9.297 1.00 24.14 H new ATOM 0 HG13 ILE A 616 7.550 -39.024 -10.760 1.00 24.14 H new ATOM 0 HG21 ILE A 616 8.903 -38.134 -7.353 1.00 32.03 H new ATOM 0 HG22 ILE A 616 7.481 -37.169 -6.891 1.00 32.03 H new ATOM 0 HG23 ILE A 616 7.339 -38.934 -7.068 1.00 32.03 H new ATOM 0 HD11 ILE A 616 9.824 -39.834 -10.508 1.00 53.32 H new ATOM 0 HD12 ILE A 616 9.773 -38.058 -10.414 1.00 53.32 H new ATOM 0 HD13 ILE A 616 9.950 -39.023 -8.929 1.00 53.32 H new ATOM 1383 N ALA A 617 4.670 -36.253 -7.674 1.00 13.10 N ATOM 1384 CA ALA A 617 4.194 -34.962 -7.195 1.00 51.24 C ATOM 1385 C ALA A 617 4.837 -34.701 -5.848 1.00 11.33 C ATOM 1386 O ALA A 617 5.146 -35.629 -5.092 1.00 23.14 O ATOM 1387 CB ALA A 617 2.659 -34.968 -7.082 1.00 54.51 C ATOM 0 H ALA A 617 4.282 -37.058 -7.182 1.00 13.10 H new ATOM 0 HA ALA A 617 4.465 -34.171 -7.894 1.00 51.24 H new ATOM 0 HB1 ALA A 617 2.317 -33.997 -6.723 1.00 54.51 H new ATOM 0 HB2 ALA A 617 2.223 -35.167 -8.061 1.00 54.51 H new ATOM 0 HB3 ALA A 617 2.349 -35.744 -6.382 1.00 54.51 H new ATOM 1393 N LEU A 618 5.036 -33.431 -5.558 1.00 35.11 N ATOM 1394 CA LEU A 618 5.605 -33.012 -4.292 1.00 65.41 C ATOM 1395 C LEU A 618 4.481 -32.871 -3.292 1.00 1.02 C ATOM 1396 O LEU A 618 3.368 -32.506 -3.648 1.00 73.44 O ATOM 1397 CB LEU A 618 6.345 -31.689 -4.478 1.00 44.53 C ATOM 1398 CG LEU A 618 7.526 -31.789 -5.460 1.00 15.42 C ATOM 1399 CD1 LEU A 618 8.029 -30.410 -5.803 1.00 51.41 C ATOM 1400 CD2 LEU A 618 8.645 -32.642 -4.882 1.00 1.54 C ATOM 0 H LEU A 618 4.809 -32.663 -6.190 1.00 35.11 H new ATOM 0 HA LEU A 618 6.321 -33.748 -3.926 1.00 65.41 H new ATOM 0 HB2 LEU A 618 5.644 -30.935 -4.838 1.00 44.53 H new ATOM 0 HB3 LEU A 618 6.713 -31.346 -3.511 1.00 44.53 H new ATOM 0 HG LEU A 618 7.177 -32.273 -6.372 1.00 15.42 H new ATOM 0 HD11 LEU A 618 8.865 -30.490 -6.498 1.00 51.41 H new ATOM 0 HD12 LEU A 618 7.227 -29.834 -6.265 1.00 51.41 H new ATOM 0 HD13 LEU A 618 8.360 -29.907 -4.894 1.00 51.41 H new ATOM 0 HD21 LEU A 618 9.467 -32.696 -5.596 1.00 1.54 H new ATOM 0 HD22 LEU A 618 9.000 -32.196 -3.953 1.00 1.54 H new ATOM 0 HD23 LEU A 618 8.271 -33.646 -4.682 1.00 1.54 H new ATOM 1412 N GLY A 619 4.779 -33.206 -2.045 1.00 53.21 N ATOM 1413 CA GLY A 619 3.784 -33.168 -0.992 1.00 13.01 C ATOM 1414 C GLY A 619 3.500 -31.751 -0.534 1.00 1.33 C ATOM 1415 O GLY A 619 2.603 -31.078 -1.016 1.00 52.44 O ATOM 0 H GLY A 619 5.705 -33.507 -1.741 1.00 53.21 H new ATOM 0 HA2 GLY A 619 2.861 -33.626 -1.348 1.00 13.01 H new ATOM 0 HA3 GLY A 619 4.129 -33.761 -0.145 1.00 13.01 H new ATOM 1419 N GLU A 620 4.315 -31.298 0.405 1.00 52.23 N ATOM 1420 CA GLU A 620 4.196 -29.962 0.987 1.00 70.41 C ATOM 1421 C GLU A 620 5.568 -29.521 1.458 1.00 64.52 C ATOM 1422 O GLU A 620 6.170 -30.175 2.308 1.00 12.14 O ATOM 1423 CB GLU A 620 3.311 -29.970 2.226 1.00 62.14 C ATOM 1424 CG GLU A 620 1.845 -29.845 1.956 1.00 74.20 C ATOM 1425 CD GLU A 620 1.043 -29.784 3.251 1.00 44.21 C ATOM 1426 OE1 GLU A 620 1.256 -28.834 4.038 1.00 71.53 O ATOM 1427 OE2 GLU A 620 0.244 -30.709 3.507 1.00 45.15 O ATOM 0 H GLU A 620 5.084 -31.847 0.790 1.00 52.23 H new ATOM 0 HA GLU A 620 3.772 -29.305 0.227 1.00 70.41 H new ATOM 0 HB2 GLU A 620 3.487 -30.896 2.774 1.00 62.14 H new ATOM 0 HB3 GLU A 620 3.616 -29.151 2.878 1.00 62.14 H new ATOM 0 HG2 GLU A 620 1.657 -28.947 1.368 1.00 74.20 H new ATOM 0 HG3 GLU A 620 1.510 -30.693 1.359 1.00 74.20 H new ATOM 1434 N PRO A 621 6.083 -28.408 0.934 1.00 51.01 N ATOM 1435 CA PRO A 621 7.379 -27.965 1.444 1.00 34.23 C ATOM 1436 C PRO A 621 7.241 -27.413 2.870 1.00 61.21 C ATOM 1437 O PRO A 621 6.344 -26.628 3.163 1.00 41.55 O ATOM 1438 CB PRO A 621 7.783 -26.898 0.429 1.00 53.42 C ATOM 1439 CG PRO A 621 6.477 -26.342 -0.048 1.00 53.41 C ATOM 1440 CD PRO A 621 5.554 -27.503 -0.098 1.00 4.21 C ATOM 0 HA PRO A 621 8.124 -28.755 1.533 1.00 34.23 H new ATOM 0 HB2 PRO A 621 8.403 -26.126 0.886 1.00 53.42 H new ATOM 0 HB3 PRO A 621 8.359 -27.325 -0.392 1.00 53.42 H new ATOM 0 HG2 PRO A 621 6.106 -25.573 0.629 1.00 53.41 H new ATOM 0 HG3 PRO A 621 6.581 -25.879 -1.029 1.00 53.41 H new ATOM 0 HD2 PRO A 621 4.527 -27.208 0.115 1.00 4.21 H new ATOM 0 HD3 PRO A 621 5.553 -27.973 -1.082 1.00 4.21 H new ATOM 1448 N LYS A 622 8.105 -27.859 3.772 1.00 22.31 N ATOM 1449 CA LYS A 622 8.023 -27.475 5.187 1.00 30.31 C ATOM 1450 C LYS A 622 9.347 -26.892 5.627 1.00 72.31 C ATOM 1451 O LYS A 622 10.390 -27.441 5.346 1.00 11.42 O ATOM 1452 CB LYS A 622 7.684 -28.704 6.036 1.00 73.21 C ATOM 1453 CG LYS A 622 6.310 -29.310 5.711 1.00 31.24 C ATOM 1454 CD LYS A 622 6.107 -30.689 6.332 1.00 34.24 C ATOM 1455 CE LYS A 622 6.960 -31.744 5.626 1.00 31.51 C ATOM 1456 NZ LYS A 622 6.634 -33.131 6.079 1.00 3.33 N ATOM 0 H LYS A 622 8.876 -28.490 3.554 1.00 22.31 H new ATOM 0 HA LYS A 622 7.240 -26.728 5.317 1.00 30.31 H new ATOM 0 HB2 LYS A 622 8.452 -29.463 5.886 1.00 73.21 H new ATOM 0 HB3 LYS A 622 7.711 -28.427 7.090 1.00 73.21 H new ATOM 0 HG2 LYS A 622 5.529 -28.638 6.067 1.00 31.24 H new ATOM 0 HG3 LYS A 622 6.198 -29.384 4.629 1.00 31.24 H new ATOM 0 HD2 LYS A 622 6.367 -30.656 7.390 1.00 34.24 H new ATOM 0 HD3 LYS A 622 5.055 -30.967 6.270 1.00 34.24 H new ATOM 0 HE2 LYS A 622 6.808 -31.670 4.549 1.00 31.51 H new ATOM 0 HE3 LYS A 622 8.014 -31.541 5.814 1.00 31.51 H new ATOM 0 HZ1 LYS A 622 7.293 -33.804 5.638 1.00 3.33 H new ATOM 0 HZ2 LYS A 622 6.722 -33.188 7.114 1.00 3.33 H new ATOM 0 HZ3 LYS A 622 5.660 -33.367 5.801 1.00 3.33 H new ATOM 1470 N TRP A 623 9.312 -25.784 6.335 1.00 54.35 N ATOM 1471 CA TRP A 623 10.527 -25.053 6.694 1.00 10.34 C ATOM 1472 C TRP A 623 11.133 -25.669 7.913 1.00 24.42 C ATOM 1473 O TRP A 623 10.648 -25.457 9.027 1.00 4.31 O ATOM 1474 CB TRP A 623 10.134 -23.622 6.999 1.00 74.45 C ATOM 1475 CG TRP A 623 11.209 -22.629 6.813 1.00 64.33 C ATOM 1476 CD1 TRP A 623 12.448 -22.798 6.278 1.00 71.22 C ATOM 1477 CD2 TRP A 623 11.141 -21.259 7.178 1.00 44.50 C ATOM 1478 NE1 TRP A 623 13.119 -21.615 6.201 1.00 42.14 N ATOM 1479 CE2 TRP A 623 12.337 -20.633 6.718 1.00 33.54 C ATOM 1480 CE3 TRP A 623 10.206 -20.496 7.884 1.00 12.32 C ATOM 1481 CZ2 TRP A 623 12.569 -19.257 6.875 1.00 72.52 C ATOM 1482 CZ3 TRP A 623 10.447 -19.164 8.094 1.00 73.04 C ATOM 1483 CH2 TRP A 623 11.615 -18.520 7.552 1.00 23.13 C ATOM 0 H TRP A 623 8.451 -25.360 6.680 1.00 54.35 H new ATOM 0 HA TRP A 623 11.250 -25.087 5.879 1.00 10.34 H new ATOM 0 HB2 TRP A 623 9.293 -23.348 6.363 1.00 74.45 H new ATOM 0 HB3 TRP A 623 9.784 -23.569 8.030 1.00 74.45 H new ATOM 0 HD1 TRP A 623 12.848 -23.748 5.956 1.00 71.22 H new ATOM 0 HE1 TRP A 623 14.056 -21.488 5.818 1.00 42.14 H new ATOM 0 HE3 TRP A 623 9.302 -20.952 8.260 1.00 12.32 H new ATOM 0 HZ2 TRP A 623 13.460 -18.791 6.481 1.00 72.52 H new ATOM 0 HZ3 TRP A 623 9.747 -18.585 8.678 1.00 73.04 H new ATOM 0 HH2 TRP A 623 11.747 -17.455 7.675 1.00 23.13 H new ATOM 1494 N MET A 624 12.238 -26.383 7.742 1.00 72.13 N ATOM 1495 CA MET A 624 12.940 -26.753 8.923 1.00 22.13 C ATOM 1496 C MET A 624 14.373 -26.289 8.911 1.00 71.22 C ATOM 1497 O MET A 624 15.353 -27.015 9.025 1.00 12.01 O ATOM 1498 CB MET A 624 13.150 -28.211 8.712 1.00 63.32 C ATOM 1499 CG MET A 624 11.954 -29.080 8.375 1.00 1.51 C ATOM 1500 SD MET A 624 10.865 -29.406 9.735 1.00 34.23 S ATOM 1501 CE MET A 624 10.034 -30.802 9.030 1.00 34.20 C ATOM 0 H MET A 624 12.633 -26.692 6.854 1.00 72.13 H new ATOM 0 HA MET A 624 12.405 -26.385 9.798 1.00 22.13 H new ATOM 0 HB2 MET A 624 13.879 -28.327 7.910 1.00 63.32 H new ATOM 0 HB3 MET A 624 13.606 -28.613 9.617 1.00 63.32 H new ATOM 0 HG2 MET A 624 11.385 -28.598 7.580 1.00 1.51 H new ATOM 0 HG3 MET A 624 12.313 -30.030 7.979 1.00 1.51 H new ATOM 0 HE1 MET A 624 9.289 -31.175 9.733 1.00 34.20 H new ATOM 0 HE2 MET A 624 9.542 -30.503 8.104 1.00 34.20 H new ATOM 0 HE3 MET A 624 10.759 -31.588 8.818 1.00 34.20 H new ATOM 1511 N GLU A 625 14.372 -25.051 9.240 1.00 54.52 N ATOM 1512 CA GLU A 625 15.372 -24.301 9.917 1.00 64.41 C ATOM 1513 C GLU A 625 14.488 -23.320 10.509 1.00 14.21 C ATOM 1514 O GLU A 625 14.491 -22.446 9.893 1.00 51.45 O ATOM 1515 CB GLU A 625 16.237 -23.644 8.825 1.00 1.43 C ATOM 1516 CG GLU A 625 17.266 -22.576 9.292 1.00 72.42 C ATOM 1517 CD GLU A 625 18.419 -22.380 8.320 1.00 35.30 C ATOM 1518 OE1 GLU A 625 18.812 -23.347 7.634 1.00 42.44 O ATOM 1519 OE2 GLU A 625 18.882 -21.229 8.188 1.00 32.03 O ATOM 0 H GLU A 625 13.570 -24.463 9.013 1.00 54.52 H new ATOM 0 HA GLU A 625 16.042 -24.814 10.607 1.00 64.41 H new ATOM 0 HB2 GLU A 625 16.779 -24.432 8.302 1.00 1.43 H new ATOM 0 HB3 GLU A 625 15.571 -23.179 8.098 1.00 1.43 H new ATOM 0 HG2 GLU A 625 16.753 -21.625 9.431 1.00 72.42 H new ATOM 0 HG3 GLU A 625 17.665 -22.868 10.263 1.00 72.42 H new ATOM 1526 N ARG A 626 13.900 -23.303 11.694 1.00 3.32 N ATOM 1527 CA ARG A 626 12.997 -22.163 12.187 1.00 52.34 C ATOM 1528 C ARG A 626 11.951 -22.846 13.044 1.00 14.50 C ATOM 1529 O ARG A 626 11.660 -22.403 14.138 1.00 10.32 O ATOM 1530 CB ARG A 626 12.169 -21.207 11.158 1.00 54.44 C ATOM 1531 CG ARG A 626 12.881 -20.370 10.052 1.00 33.01 C ATOM 1532 CD ARG A 626 14.032 -19.518 10.574 1.00 41.30 C ATOM 1533 NE ARG A 626 13.549 -18.286 11.235 1.00 64.54 N ATOM 1534 CZ ARG A 626 14.253 -17.553 12.089 1.00 4.23 C ATOM 1535 NH1 ARG A 626 15.465 -17.886 12.461 1.00 14.01 N ATOM 1536 NH2 ARG A 626 13.737 -16.462 12.579 1.00 4.50 N ATOM 0 H ARG A 626 14.006 -24.056 12.374 1.00 3.32 H new ATOM 0 HA ARG A 626 13.702 -21.462 12.634 1.00 52.34 H new ATOM 0 HB2 ARG A 626 11.444 -21.844 10.652 1.00 54.44 H new ATOM 0 HB3 ARG A 626 11.603 -20.504 11.769 1.00 54.44 H new ATOM 0 HG2 ARG A 626 13.259 -21.045 9.285 1.00 33.01 H new ATOM 0 HG3 ARG A 626 12.149 -19.721 9.572 1.00 33.01 H new ATOM 0 HD2 ARG A 626 14.624 -20.101 11.280 1.00 41.30 H new ATOM 0 HD3 ARG A 626 14.691 -19.252 9.748 1.00 41.30 H new ATOM 0 HE ARG A 626 12.602 -17.976 11.018 1.00 64.54 H new ATOM 0 HH11 ARG A 626 15.897 -18.733 12.092 1.00 14.01 H new ATOM 0 HH12 ARG A 626 15.976 -17.298 13.119 1.00 14.01 H new ATOM 0 HH21 ARG A 626 12.797 -16.175 12.306 1.00 4.50 H new ATOM 0 HH22 ARG A 626 14.273 -15.895 13.236 1.00 4.50 H new ATOM 1916 N GLY A 650 7.563 -17.141 6.651 1.00 1.31 N ATOM 1917 CA GLY A 650 8.472 -17.661 5.636 1.00 40.41 C ATOM 1918 C GLY A 650 7.996 -18.873 4.860 1.00 75.13 C ATOM 1919 O GLY A 650 8.797 -19.532 4.214 1.00 73.34 O ATOM 0 HA2 GLY A 650 8.683 -16.862 4.925 1.00 40.41 H new ATOM 0 HA3 GLY A 650 9.415 -17.914 6.120 1.00 40.41 H new ATOM 1923 N LYS A 651 6.732 -19.243 5.013 1.00 61.20 N ATOM 1924 CA LYS A 651 6.260 -20.561 4.585 1.00 43.53 C ATOM 1925 C LYS A 651 6.359 -20.763 3.060 1.00 24.32 C ATOM 1926 O LYS A 651 5.808 -19.976 2.293 1.00 55.10 O ATOM 1927 CB LYS A 651 4.831 -20.789 5.096 1.00 52.24 C ATOM 1928 CG LYS A 651 4.783 -20.849 6.634 1.00 3.51 C ATOM 1929 CD LYS A 651 3.389 -21.056 7.217 1.00 22.21 C ATOM 1930 CE LYS A 651 3.480 -21.038 8.756 1.00 11.53 C ATOM 1931 NZ LYS A 651 2.148 -21.152 9.450 1.00 62.04 N ATOM 0 H LYS A 651 6.012 -18.652 5.430 1.00 61.20 H new ATOM 0 HA LYS A 651 6.918 -21.311 5.025 1.00 43.53 H new ATOM 0 HB2 LYS A 651 4.185 -19.986 4.742 1.00 52.24 H new ATOM 0 HB3 LYS A 651 4.440 -21.719 4.682 1.00 52.24 H new ATOM 0 HG2 LYS A 651 5.429 -21.659 6.973 1.00 3.51 H new ATOM 0 HG3 LYS A 651 5.196 -19.923 7.034 1.00 3.51 H new ATOM 0 HD2 LYS A 651 2.716 -20.272 6.871 1.00 22.21 H new ATOM 0 HD3 LYS A 651 2.975 -22.005 6.876 1.00 22.21 H new ATOM 0 HE2 LYS A 651 4.119 -21.859 9.082 1.00 11.53 H new ATOM 0 HE3 LYS A 651 3.964 -20.113 9.070 1.00 11.53 H new ATOM 0 HZ1 LYS A 651 2.290 -21.133 10.480 1.00 62.04 H new ATOM 0 HZ2 LYS A 651 1.541 -20.355 9.169 1.00 62.04 H new ATOM 0 HZ3 LYS A 651 1.692 -22.047 9.180 1.00 62.04 H new ATOM 1945 N PRO A 652 7.103 -21.802 2.615 1.00 41.43 N ATOM 1946 CA PRO A 652 7.265 -22.038 1.173 1.00 5.34 C ATOM 1947 C PRO A 652 6.036 -22.631 0.518 1.00 74.15 C ATOM 1948 O PRO A 652 5.157 -23.171 1.184 1.00 71.43 O ATOM 1949 CB PRO A 652 8.400 -23.060 1.125 1.00 64.42 C ATOM 1950 CG PRO A 652 8.259 -23.802 2.387 1.00 42.43 C ATOM 1951 CD PRO A 652 7.854 -22.801 3.402 1.00 42.32 C ATOM 0 HA PRO A 652 7.451 -21.107 0.638 1.00 5.34 H new ATOM 0 HB2 PRO A 652 8.309 -23.719 0.261 1.00 64.42 H new ATOM 0 HB3 PRO A 652 9.373 -22.574 1.053 1.00 64.42 H new ATOM 0 HG2 PRO A 652 7.512 -24.590 2.296 1.00 42.43 H new ATOM 0 HG3 PRO A 652 9.197 -24.283 2.665 1.00 42.43 H new ATOM 0 HD2 PRO A 652 7.236 -23.246 4.181 1.00 42.32 H new ATOM 0 HD3 PRO A 652 8.718 -22.357 3.896 1.00 42.32 H new ATOM 1959 N VAL A 653 6.018 -22.574 -0.804 1.00 53.40 N ATOM 1960 CA VAL A 653 4.938 -23.169 -1.606 1.00 13.10 C ATOM 1961 C VAL A 653 5.506 -23.833 -2.867 1.00 4.11 C ATOM 1962 O VAL A 653 6.651 -23.581 -3.251 1.00 14.11 O ATOM 1963 CB VAL A 653 3.858 -22.106 -2.030 1.00 54.42 C ATOM 1964 CG1 VAL A 653 3.150 -21.521 -0.796 1.00 12.41 C ATOM 1965 CG2 VAL A 653 4.477 -20.972 -2.853 1.00 53.10 C ATOM 0 H VAL A 653 6.743 -22.119 -1.358 1.00 53.40 H new ATOM 0 HA VAL A 653 4.455 -23.916 -0.976 1.00 13.10 H new ATOM 0 HB VAL A 653 3.126 -22.623 -2.651 1.00 54.42 H new ATOM 0 HG11 VAL A 653 2.408 -20.789 -1.115 1.00 12.41 H new ATOM 0 HG12 VAL A 653 2.656 -22.322 -0.246 1.00 12.41 H new ATOM 0 HG13 VAL A 653 3.883 -21.037 -0.151 1.00 12.41 H new ATOM 0 HG21 VAL A 653 3.702 -20.257 -3.128 1.00 53.10 H new ATOM 0 HG22 VAL A 653 5.242 -20.469 -2.261 1.00 53.10 H new ATOM 0 HG23 VAL A 653 4.929 -21.383 -3.756 1.00 53.10 H new ATOM 1975 N LEU A 654 4.714 -24.686 -3.499 1.00 14.23 N ATOM 1976 CA LEU A 654 5.081 -25.327 -4.757 1.00 33.44 C ATOM 1977 C LEU A 654 4.969 -24.363 -5.942 1.00 74.54 C ATOM 1978 O LEU A 654 4.354 -23.305 -5.836 1.00 21.24 O ATOM 1979 CB LEU A 654 4.161 -26.533 -4.971 1.00 71.02 C ATOM 1980 CG LEU A 654 4.204 -27.537 -3.807 1.00 3.23 C ATOM 1981 CD1 LEU A 654 3.250 -28.678 -4.016 1.00 73.20 C ATOM 1982 CD2 LEU A 654 5.618 -28.044 -3.616 1.00 50.44 C ATOM 0 H LEU A 654 3.793 -24.956 -3.153 1.00 14.23 H new ATOM 0 HA LEU A 654 6.122 -25.644 -4.700 1.00 33.44 H new ATOM 0 HB2 LEU A 654 3.137 -26.183 -5.104 1.00 71.02 H new ATOM 0 HB3 LEU A 654 4.446 -27.041 -5.892 1.00 71.02 H new ATOM 0 HG LEU A 654 3.886 -27.018 -2.903 1.00 3.23 H new ATOM 0 HD11 LEU A 654 3.312 -29.364 -3.171 1.00 73.20 H new ATOM 0 HD12 LEU A 654 2.234 -28.292 -4.096 1.00 73.20 H new ATOM 0 HD13 LEU A 654 3.511 -29.207 -4.933 1.00 73.20 H new ATOM 0 HD21 LEU A 654 5.641 -28.755 -2.790 1.00 50.44 H new ATOM 0 HD22 LEU A 654 5.954 -28.537 -4.528 1.00 50.44 H new ATOM 0 HD23 LEU A 654 6.278 -27.206 -3.392 1.00 50.44 H new ATOM 1994 N GLY A 655 5.604 -24.732 -7.046 1.00 31.11 N ATOM 1995 CA GLY A 655 5.675 -23.881 -8.228 1.00 32.54 C ATOM 1996 C GLY A 655 4.734 -24.216 -9.356 1.00 3.33 C ATOM 1997 O GLY A 655 3.657 -24.766 -9.171 1.00 31.33 O ATOM 0 H GLY A 655 6.083 -25.627 -7.148 1.00 31.11 H new ATOM 0 HA2 GLY A 655 5.485 -22.853 -7.920 1.00 32.54 H new ATOM 0 HA3 GLY A 655 6.694 -23.916 -8.613 1.00 32.54 H new ATOM 2001 N GLU A 656 5.175 -23.850 -10.549 1.00 33.03 N ATOM 2002 CA GLU A 656 4.401 -24.014 -11.772 1.00 33.34 C ATOM 2003 C GLU A 656 4.493 -25.439 -12.315 1.00 61.24 C ATOM 2004 O GLU A 656 3.558 -25.933 -12.935 1.00 24.43 O ATOM 2005 CB GLU A 656 4.920 -23.036 -12.836 1.00 60.44 C ATOM 2006 CG GLU A 656 5.075 -21.581 -12.352 1.00 72.03 C ATOM 2007 CD GLU A 656 6.381 -21.326 -11.572 1.00 34.45 C ATOM 2008 OE1 GLU A 656 7.238 -22.244 -11.493 1.00 64.32 O ATOM 2009 OE2 GLU A 656 6.520 -20.234 -10.994 1.00 4.31 O ATOM 0 H GLU A 656 6.091 -23.426 -10.698 1.00 33.03 H new ATOM 0 HA GLU A 656 3.357 -23.808 -11.538 1.00 33.34 H new ATOM 0 HB2 GLU A 656 5.886 -23.390 -13.195 1.00 60.44 H new ATOM 0 HB3 GLU A 656 4.239 -23.051 -13.687 1.00 60.44 H new ATOM 0 HG2 GLU A 656 5.040 -20.915 -13.214 1.00 72.03 H new ATOM 0 HG3 GLU A 656 4.227 -21.326 -11.717 1.00 72.03 H new ATOM 2016 N HIS A 657 5.621 -26.105 -12.074 1.00 44.02 N ATOM 2017 CA HIS A 657 5.817 -27.495 -12.525 1.00 1.40 C ATOM 2018 C HIS A 657 6.338 -28.414 -11.413 1.00 61.32 C ATOM 2019 O HIS A 657 7.393 -29.002 -11.551 1.00 31.00 O ATOM 2020 CB HIS A 657 6.821 -27.539 -13.697 1.00 24.24 C ATOM 2021 CG HIS A 657 6.563 -26.518 -14.762 1.00 0.04 C ATOM 2022 ND1 HIS A 657 5.924 -26.797 -15.976 1.00 4.21 N ATOM 2023 CD2 HIS A 657 6.869 -25.195 -14.830 1.00 73.24 C ATOM 2024 CE1 HIS A 657 5.868 -25.683 -16.693 1.00 63.34 C ATOM 2025 NE2 HIS A 657 6.428 -24.710 -16.023 1.00 21.01 N ATOM 0 H HIS A 657 6.416 -25.711 -11.570 1.00 44.02 H new ATOM 0 HA HIS A 657 4.836 -27.855 -12.836 1.00 1.40 H new ATOM 0 HB2 HIS A 657 7.827 -27.393 -13.305 1.00 24.24 H new ATOM 0 HB3 HIS A 657 6.795 -28.532 -14.146 1.00 24.24 H new ATOM 0 HD1 HIS A 657 5.562 -27.707 -16.262 1.00 4.21 H new ATOM 0 HD2 HIS A 657 7.377 -24.625 -14.066 1.00 73.24 H new ATOM 0 HE1 HIS A 657 5.429 -25.594 -17.676 1.00 63.34 H new ATOM 2033 N PRO A 658 5.614 -28.556 -10.291 1.00 2.50 N ATOM 2034 CA PRO A 658 6.075 -29.430 -9.198 1.00 44.23 C ATOM 2035 C PRO A 658 5.849 -30.929 -9.454 1.00 14.11 C ATOM 2036 O PRO A 658 5.636 -31.710 -8.523 1.00 41.51 O ATOM 2037 CB PRO A 658 5.225 -28.945 -8.029 1.00 24.42 C ATOM 2038 CG PRO A 658 3.951 -28.567 -8.666 1.00 22.45 C ATOM 2039 CD PRO A 658 4.342 -27.904 -9.937 1.00 22.20 C ATOM 0 HA PRO A 658 7.153 -29.363 -9.048 1.00 44.23 H new ATOM 0 HB2 PRO A 658 5.085 -29.727 -7.283 1.00 24.42 H new ATOM 0 HB3 PRO A 658 5.687 -28.099 -7.521 1.00 24.42 H new ATOM 0 HG2 PRO A 658 3.327 -29.441 -8.852 1.00 22.45 H new ATOM 0 HG3 PRO A 658 3.375 -27.894 -8.030 1.00 22.45 H new ATOM 0 HD2 PRO A 658 3.589 -28.047 -10.712 1.00 22.20 H new ATOM 0 HD3 PRO A 658 4.465 -26.829 -9.807 1.00 22.20 H new ATOM 2047 N LYS A 659 5.844 -31.309 -10.724 1.00 32.10 N ATOM 2048 CA LYS A 659 5.592 -32.683 -11.148 1.00 25.04 C ATOM 2049 C LYS A 659 6.217 -32.911 -12.502 1.00 54.43 C ATOM 2050 O LYS A 659 6.248 -31.999 -13.316 1.00 24.30 O ATOM 2051 CB LYS A 659 4.101 -32.914 -11.239 1.00 74.43 C ATOM 2052 CG LYS A 659 3.732 -34.374 -11.479 1.00 73.54 C ATOM 2053 CD LYS A 659 2.391 -34.712 -10.876 1.00 43.24 C ATOM 2054 CE LYS A 659 1.295 -34.143 -11.683 1.00 21.22 C ATOM 2055 NZ LYS A 659 1.166 -34.766 -13.092 1.00 11.24 N ATOM 0 H LYS A 659 6.016 -30.667 -11.498 1.00 32.10 H new ATOM 0 HA LYS A 659 6.025 -33.374 -10.425 1.00 25.04 H new ATOM 0 HB2 LYS A 659 3.630 -32.574 -10.316 1.00 74.43 H new ATOM 0 HB3 LYS A 659 3.694 -32.306 -12.047 1.00 74.43 H new ATOM 0 HG2 LYS A 659 3.711 -34.574 -12.550 1.00 73.54 H new ATOM 0 HG3 LYS A 659 4.498 -35.019 -11.049 1.00 73.54 H new ATOM 0 HD2 LYS A 659 2.278 -35.794 -10.813 1.00 43.24 H new ATOM 0 HD3 LYS A 659 2.337 -34.326 -9.858 1.00 43.24 H new ATOM 0 HE2 LYS A 659 0.355 -34.279 -11.149 1.00 21.22 H new ATOM 0 HE3 LYS A 659 1.451 -33.069 -11.784 1.00 21.22 H new ATOM 0 HZ1 LYS A 659 0.224 -34.555 -13.480 1.00 11.24 H new ATOM 0 HZ2 LYS A 659 1.895 -34.366 -13.717 1.00 11.24 H new ATOM 0 HZ3 LYS A 659 1.292 -35.796 -13.029 1.00 11.24 H new ATOM 2069 N LEU A 660 6.686 -34.128 -12.731 1.00 14.25 N ATOM 2070 CA LEU A 660 7.274 -34.519 -14.001 1.00 23.13 C ATOM 2071 C LEU A 660 6.530 -35.774 -14.438 1.00 32.22 C ATOM 2072 O LEU A 660 6.495 -36.746 -13.689 1.00 14.41 O ATOM 2073 CB LEU A 660 8.774 -34.827 -13.816 1.00 64.01 C ATOM 2074 CG LEU A 660 9.769 -34.559 -14.964 1.00 50.24 C ATOM 2075 CD1 LEU A 660 10.894 -35.584 -14.948 1.00 22.03 C ATOM 2076 CD2 LEU A 660 9.122 -34.530 -16.308 1.00 53.42 C ATOM 0 H LEU A 660 6.669 -34.875 -12.037 1.00 14.25 H new ATOM 0 HA LEU A 660 7.191 -33.726 -14.744 1.00 23.13 H new ATOM 0 HB2 LEU A 660 9.117 -34.258 -12.952 1.00 64.01 H new ATOM 0 HB3 LEU A 660 8.857 -35.882 -13.556 1.00 64.01 H new ATOM 0 HG LEU A 660 10.177 -33.564 -14.788 1.00 50.24 H new ATOM 0 HD11 LEU A 660 11.585 -35.378 -15.765 1.00 22.03 H new ATOM 0 HD12 LEU A 660 11.426 -35.525 -13.999 1.00 22.03 H new ATOM 0 HD13 LEU A 660 10.477 -36.584 -15.069 1.00 22.03 H new ATOM 0 HD21 LEU A 660 9.876 -34.337 -17.071 1.00 53.42 H new ATOM 0 HD22 LEU A 660 8.646 -35.491 -16.503 1.00 53.42 H new ATOM 0 HD23 LEU A 660 8.371 -33.741 -16.333 1.00 53.42 H new ATOM 2088 N GLU A 661 5.888 -35.734 -15.596 1.00 24.41 N ATOM 2089 CA GLU A 661 5.133 -36.871 -16.111 1.00 13.14 C ATOM 2090 C GLU A 661 6.010 -37.757 -16.974 1.00 31.12 C ATOM 2091 O GLU A 661 6.574 -37.299 -17.945 1.00 4.14 O ATOM 2092 CB GLU A 661 3.977 -36.360 -16.950 1.00 42.50 C ATOM 2093 CG GLU A 661 2.935 -37.402 -17.173 1.00 13.12 C ATOM 2094 CD GLU A 661 1.531 -36.915 -16.771 1.00 62.32 C ATOM 2095 OE1 GLU A 661 1.401 -36.161 -15.759 1.00 60.13 O ATOM 2096 OE2 GLU A 661 0.555 -37.339 -17.417 1.00 23.11 O ATOM 0 H GLU A 661 5.874 -34.916 -16.205 1.00 24.41 H new ATOM 0 HA GLU A 661 4.766 -37.455 -15.267 1.00 13.14 H new ATOM 0 HB2 GLU A 661 3.526 -35.499 -16.457 1.00 42.50 H new ATOM 0 HB3 GLU A 661 4.354 -36.015 -17.913 1.00 42.50 H new ATOM 0 HG2 GLU A 661 2.931 -37.690 -18.224 1.00 13.12 H new ATOM 0 HG3 GLU A 661 3.187 -38.294 -16.599 1.00 13.12 H new ATOM 2103 N VAL A 662 6.141 -39.012 -16.596 1.00 11.12 N ATOM 2104 CA VAL A 662 7.053 -39.952 -17.232 1.00 42.42 C ATOM 2105 C VAL A 662 6.247 -41.015 -17.925 1.00 21.11 C ATOM 2106 O VAL A 662 5.271 -41.536 -17.393 1.00 62.10 O ATOM 2107 CB VAL A 662 7.976 -40.634 -16.172 1.00 34.11 C ATOM 2108 CG1 VAL A 662 9.243 -41.231 -16.737 1.00 11.43 C ATOM 2109 CG2 VAL A 662 8.168 -39.776 -14.900 1.00 50.33 C ATOM 0 H VAL A 662 5.610 -39.418 -15.826 1.00 11.12 H new ATOM 0 HA VAL A 662 7.675 -39.410 -17.944 1.00 42.42 H new ATOM 0 HB VAL A 662 7.427 -41.513 -15.833 1.00 34.11 H new ATOM 0 HG11 VAL A 662 9.823 -41.683 -15.932 1.00 11.43 H new ATOM 0 HG12 VAL A 662 8.989 -41.993 -17.473 1.00 11.43 H new ATOM 0 HG13 VAL A 662 9.833 -40.448 -17.214 1.00 11.43 H new ATOM 0 HG21 VAL A 662 8.818 -40.302 -14.201 1.00 50.33 H new ATOM 0 HG22 VAL A 662 8.621 -38.822 -15.170 1.00 50.33 H new ATOM 0 HG23 VAL A 662 7.200 -39.598 -14.431 1.00 50.33 H new ATOM 2119 N ILE A 663 6.676 -41.316 -19.130 1.00 41.04 N ATOM 2120 CA ILE A 663 6.090 -42.367 -19.932 1.00 64.52 C ATOM 2121 C ILE A 663 7.189 -43.399 -20.041 1.00 32.13 C ATOM 2122 O ILE A 663 8.332 -43.047 -20.356 1.00 72.21 O ATOM 2123 CB ILE A 663 5.720 -41.844 -21.339 1.00 54.13 C ATOM 2124 CG1 ILE A 663 4.587 -40.797 -21.240 1.00 42.34 C ATOM 2125 CG2 ILE A 663 5.370 -43.014 -22.273 1.00 35.21 C ATOM 2126 CD1 ILE A 663 3.166 -41.368 -21.354 1.00 63.10 C ATOM 0 H ILE A 663 7.450 -40.833 -19.586 1.00 41.04 H new ATOM 0 HA ILE A 663 5.173 -42.760 -19.493 1.00 64.52 H new ATOM 0 HB ILE A 663 6.582 -41.340 -21.777 1.00 54.13 H new ATOM 0 HG12 ILE A 663 4.677 -40.274 -20.288 1.00 42.34 H new ATOM 0 HG13 ILE A 663 4.729 -40.055 -22.026 1.00 42.34 H new ATOM 0 HG21 ILE A 663 5.112 -42.628 -23.259 1.00 35.21 H new ATOM 0 HG22 ILE A 663 6.228 -43.681 -22.358 1.00 35.21 H new ATOM 0 HG23 ILE A 663 4.522 -43.564 -21.865 1.00 35.21 H new ATOM 0 HD11 ILE A 663 2.441 -40.558 -21.273 1.00 63.10 H new ATOM 0 HD12 ILE A 663 3.050 -41.864 -22.317 1.00 63.10 H new ATOM 0 HD13 ILE A 663 2.998 -42.087 -20.553 1.00 63.10 H new ATOM 2138 N ILE A 664 6.863 -44.647 -19.771 1.00 45.22 N ATOM 2139 CA ILE A 664 7.819 -45.734 -19.933 1.00 32.32 C ATOM 2140 C ILE A 664 7.591 -46.298 -21.336 1.00 43.33 C ATOM 2141 O ILE A 664 6.616 -46.996 -21.602 1.00 2.23 O ATOM 2142 CB ILE A 664 7.674 -46.790 -18.806 1.00 33.32 C ATOM 2143 CG1 ILE A 664 8.003 -46.114 -17.454 1.00 21.52 C ATOM 2144 CG2 ILE A 664 8.638 -47.991 -19.048 1.00 75.14 C ATOM 2145 CD1 ILE A 664 7.560 -46.867 -16.239 1.00 63.10 C ATOM 0 H ILE A 664 5.944 -44.938 -19.438 1.00 45.22 H new ATOM 0 HA ILE A 664 8.848 -45.387 -19.842 1.00 32.32 H new ATOM 0 HB ILE A 664 6.654 -47.173 -18.797 1.00 33.32 H new ATOM 0 HG12 ILE A 664 9.081 -45.963 -17.395 1.00 21.52 H new ATOM 0 HG13 ILE A 664 7.541 -45.127 -17.438 1.00 21.52 H new ATOM 0 HG21 ILE A 664 8.520 -48.720 -18.246 1.00 75.14 H new ATOM 0 HG22 ILE A 664 8.402 -48.461 -20.003 1.00 75.14 H new ATOM 0 HG23 ILE A 664 9.668 -47.634 -19.065 1.00 75.14 H new ATOM 0 HD11 ILE A 664 7.837 -46.310 -15.344 1.00 63.10 H new ATOM 0 HD12 ILE A 664 6.478 -46.996 -16.265 1.00 63.10 H new ATOM 0 HD13 ILE A 664 8.041 -47.845 -16.221 1.00 63.10 H new