USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=21 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= 0.172 USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc=-0.000955 USER MOD Single : A 540 HIS : no HD1:sc=-0.00159 X(o=-0.0016,f=-0.0098) USER MOD Single : A 542 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 544 SER OG : rot 180:sc= 0.139 USER MOD Single : A 548 MET CE :methyl 140:sc= -0.705 (180deg=-4.04!) USER MOD Single : A 551 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 556 SER OG : rot 180:sc= 0.00066 USER MOD Single : A 561 THR OG1 : rot 74:sc= 0.406 USER MOD Single : A 568 THR OG1 : rot 58:sc= 0.726 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 157:sc= 0.575 (180deg=-0.419) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -153:sc= 0.478 (180deg=0.433) USER MOD Single : A 591 ASN :FLIP amide:sc= -0.0365 F(o=-1.8!,f=-0.037) USER MOD Single : A 594 THR OG1 : rot -150:sc=0.000117 USER MOD Single : A 596 LYS NZ :NH3+ -130:sc= 0.0983 (180deg=-0.105) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -169:sc= 0.904 (180deg=0.61) USER MOD Single : A 613 ASN : amide:sc= 0.0647 K(o=0.065,f=-3.9!) USER MOD Single : A 622 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.07) 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= -0.245 K(o=-0.25,f=-2.1!) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.615 -18.339 1.791 1.00 33.21 N ATOM 19 CA ALA A 529 11.287 -19.574 1.389 1.00 23.02 C ATOM 20 C ALA A 529 10.926 -19.898 -0.068 1.00 52.30 C ATOM 21 O ALA A 529 9.822 -19.601 -0.527 1.00 14.22 O ATOM 22 CB ALA A 529 10.879 -20.706 2.283 1.00 3.32 C ATOM 0 HA ALA A 529 12.365 -19.438 1.475 1.00 23.02 H new ATOM 0 HB1 ALA A 529 11.388 -21.618 1.971 1.00 3.32 H new ATOM 0 HB2 ALA A 529 11.151 -20.473 3.312 1.00 3.32 H new ATOM 0 HB3 ALA A 529 9.801 -20.851 2.217 1.00 3.32 H new ATOM 28 N GLY A 530 11.870 -20.469 -0.803 1.00 2.14 N ATOM 29 CA GLY A 530 11.667 -20.684 -2.219 1.00 63.11 C ATOM 30 C GLY A 530 10.521 -21.580 -2.634 1.00 63.41 C ATOM 31 O GLY A 530 10.197 -22.562 -1.987 1.00 42.22 O ATOM 0 H GLY A 530 12.770 -20.786 -0.444 1.00 2.14 H new ATOM 0 HA2 GLY A 530 11.520 -19.711 -2.689 1.00 63.11 H new ATOM 0 HA3 GLY A 530 12.586 -21.101 -2.631 1.00 63.11 H new ATOM 35 N ILE A 531 9.963 -21.240 -3.785 1.00 43.00 N ATOM 36 CA ILE A 531 8.987 -22.062 -4.477 1.00 24.30 C ATOM 37 C ILE A 531 9.770 -23.249 -5.014 1.00 14.54 C ATOM 38 O ILE A 531 10.886 -23.054 -5.491 1.00 62.12 O ATOM 39 CB ILE A 531 8.354 -21.259 -5.672 1.00 25.55 C ATOM 40 CG1 ILE A 531 7.130 -20.469 -5.189 1.00 54.41 C ATOM 41 CG2 ILE A 531 7.921 -22.173 -6.806 1.00 63.23 C ATOM 42 CD1 ILE A 531 7.443 -19.153 -4.451 1.00 4.12 C ATOM 0 H ILE A 531 10.180 -20.370 -4.272 1.00 43.00 H new ATOM 0 HA ILE A 531 8.174 -22.368 -3.818 1.00 24.30 H new ATOM 0 HB ILE A 531 9.124 -20.583 -6.044 1.00 25.55 H new ATOM 0 HG12 ILE A 531 6.502 -20.242 -6.050 1.00 54.41 H new ATOM 0 HG13 ILE A 531 6.545 -21.107 -4.527 1.00 54.41 H new ATOM 0 HG21 ILE A 531 7.490 -21.576 -7.610 1.00 63.23 H new ATOM 0 HG22 ILE A 531 8.785 -22.719 -7.183 1.00 63.23 H new ATOM 0 HG23 ILE A 531 7.177 -22.880 -6.439 1.00 63.23 H new ATOM 0 HD11 ILE A 531 6.511 -18.673 -4.152 1.00 4.12 H new ATOM 0 HD12 ILE A 531 8.042 -19.366 -3.565 1.00 4.12 H new ATOM 0 HD13 ILE A 531 7.998 -18.488 -5.113 1.00 4.12 H new ATOM 54 N PHE A 532 9.193 -24.446 -4.961 1.00 62.14 N ATOM 55 CA PHE A 532 9.835 -25.647 -5.509 1.00 23.22 C ATOM 56 C PHE A 532 9.070 -26.157 -6.715 1.00 13.44 C ATOM 57 O PHE A 532 7.839 -26.177 -6.728 1.00 54.34 O ATOM 58 CB PHE A 532 9.911 -26.742 -4.458 1.00 43.33 C ATOM 59 CG PHE A 532 10.829 -26.402 -3.326 1.00 50.11 C ATOM 60 CD1 PHE A 532 10.367 -25.658 -2.232 1.00 2.42 C ATOM 61 CD2 PHE A 532 12.180 -26.794 -3.366 1.00 33.14 C ATOM 62 CE1 PHE A 532 11.240 -25.295 -1.187 1.00 60.41 C ATOM 63 CE2 PHE A 532 13.063 -26.439 -2.320 1.00 64.54 C ATOM 64 CZ PHE A 532 12.592 -25.689 -1.230 1.00 23.42 C ATOM 0 H PHE A 532 8.278 -24.615 -4.543 1.00 62.14 H new ATOM 0 HA PHE A 532 10.846 -25.376 -5.815 1.00 23.22 H new ATOM 0 HB2 PHE A 532 8.912 -26.931 -4.065 1.00 43.33 H new ATOM 0 HB3 PHE A 532 10.248 -27.666 -4.927 1.00 43.33 H new ATOM 0 HD1 PHE A 532 9.330 -25.359 -2.189 1.00 2.42 H new ATOM 0 HD2 PHE A 532 12.546 -27.371 -4.203 1.00 33.14 H new ATOM 0 HE1 PHE A 532 10.873 -24.715 -0.353 1.00 60.41 H new ATOM 0 HE2 PHE A 532 14.098 -26.744 -2.359 1.00 64.54 H new ATOM 0 HZ PHE A 532 13.263 -25.416 -0.429 1.00 23.42 H new ATOM 74 N THR A 533 9.816 -26.527 -7.739 1.00 61.21 N ATOM 75 CA THR A 533 9.255 -26.916 -9.025 1.00 34.13 C ATOM 76 C THR A 533 10.314 -27.796 -9.689 1.00 23.50 C ATOM 77 O THR A 533 11.415 -27.906 -9.168 1.00 21.21 O ATOM 78 CB THR A 533 8.927 -25.636 -9.855 1.00 31.12 C ATOM 79 OG1 THR A 533 8.248 -25.987 -11.062 1.00 5.51 O ATOM 80 CG2 THR A 533 10.166 -24.865 -10.203 1.00 62.32 C ATOM 0 H THR A 533 10.835 -26.567 -7.705 1.00 61.21 H new ATOM 0 HA THR A 533 8.319 -27.468 -8.935 1.00 34.13 H new ATOM 0 HB THR A 533 8.288 -25.007 -9.234 1.00 31.12 H new ATOM 0 HG1 THR A 533 8.188 -25.201 -11.644 1.00 5.51 H new ATOM 0 HG21 THR A 533 9.894 -23.981 -10.781 1.00 62.32 H new ATOM 0 HG22 THR A 533 10.673 -24.559 -9.288 1.00 62.32 H new ATOM 0 HG23 THR A 533 10.832 -25.494 -10.794 1.00 62.32 H new ATOM 88 N PHE A 534 9.996 -28.440 -10.799 1.00 30.52 N ATOM 89 CA PHE A 534 10.943 -29.294 -11.513 1.00 64.31 C ATOM 90 C PHE A 534 11.362 -28.589 -12.788 1.00 34.12 C ATOM 91 O PHE A 534 10.789 -27.566 -13.163 1.00 13.04 O ATOM 92 CB PHE A 534 10.297 -30.638 -11.894 1.00 1.24 C ATOM 93 CG PHE A 534 9.994 -31.544 -10.730 1.00 71.40 C ATOM 94 CD1 PHE A 534 10.497 -31.323 -9.432 1.00 43.22 C ATOM 95 CD2 PHE A 534 9.190 -32.659 -10.957 1.00 53.54 C ATOM 96 CE1 PHE A 534 10.152 -32.207 -8.370 1.00 32.35 C ATOM 97 CE2 PHE A 534 8.844 -33.550 -9.921 1.00 32.25 C ATOM 98 CZ PHE A 534 9.308 -33.323 -8.623 1.00 11.12 C ATOM 0 H PHE A 534 9.075 -28.389 -11.235 1.00 30.52 H new ATOM 0 HA PHE A 534 11.798 -29.484 -10.865 1.00 64.31 H new ATOM 0 HB2 PHE A 534 9.371 -30.440 -12.433 1.00 1.24 H new ATOM 0 HB3 PHE A 534 10.961 -31.162 -12.582 1.00 1.24 H new ATOM 0 HD1 PHE A 534 11.146 -30.481 -9.242 1.00 43.22 H new ATOM 0 HD2 PHE A 534 8.821 -32.846 -11.955 1.00 53.54 H new ATOM 0 HE1 PHE A 534 10.531 -32.030 -7.374 1.00 32.35 H new ATOM 0 HE2 PHE A 534 8.221 -34.407 -10.130 1.00 32.25 H new ATOM 0 HZ PHE A 534 9.028 -33.989 -7.820 1.00 11.12 H new ATOM 108 N GLU A 535 12.347 -29.172 -13.448 1.00 54.12 N ATOM 109 CA GLU A 535 12.843 -28.685 -14.738 1.00 61.00 C ATOM 110 C GLU A 535 11.800 -28.702 -15.843 1.00 13.22 C ATOM 111 O GLU A 535 11.612 -27.718 -16.558 1.00 71.14 O ATOM 112 CB GLU A 535 13.964 -29.608 -15.198 1.00 2.11 C ATOM 113 CG GLU A 535 15.277 -29.368 -14.525 1.00 75.33 C ATOM 114 CD GLU A 535 16.383 -30.219 -15.125 1.00 13.30 C ATOM 115 OE1 GLU A 535 16.164 -31.432 -15.332 1.00 11.35 O ATOM 116 OE2 GLU A 535 17.477 -29.676 -15.376 1.00 54.43 O ATOM 0 H GLU A 535 12.833 -30.002 -13.108 1.00 54.12 H new ATOM 0 HA GLU A 535 13.157 -27.654 -14.576 1.00 61.00 H new ATOM 0 HB2 GLU A 535 13.663 -30.641 -15.022 1.00 2.11 H new ATOM 0 HB3 GLU A 535 14.095 -29.493 -16.274 1.00 2.11 H new ATOM 0 HG2 GLU A 535 15.542 -28.314 -14.611 1.00 75.33 H new ATOM 0 HG3 GLU A 535 15.186 -29.588 -13.461 1.00 75.33 H new ATOM 123 N CYS A 536 11.187 -29.859 -16.020 1.00 33.21 N ATOM 124 CA CYS A 536 10.263 -30.105 -17.114 1.00 3.42 C ATOM 125 C CYS A 536 9.044 -30.782 -16.532 1.00 54.11 C ATOM 126 O CYS A 536 9.062 -31.198 -15.374 1.00 53.12 O ATOM 127 CB CYS A 536 10.909 -31.033 -18.150 1.00 50.02 C ATOM 128 SG CYS A 536 12.429 -30.376 -18.884 1.00 61.33 S ATOM 0 H CYS A 536 11.317 -30.661 -15.404 1.00 33.21 H new ATOM 0 HA CYS A 536 9.998 -29.168 -17.604 1.00 3.42 H new ATOM 0 HB2 CYS A 536 11.131 -31.990 -17.677 1.00 50.02 H new ATOM 0 HB3 CYS A 536 10.190 -31.229 -18.945 1.00 50.02 H new ATOM 0 HG CYS A 536 12.900 -31.230 -19.743 1.00 61.33 H new ATOM 134 N ASP A 537 8.023 -30.946 -17.355 1.00 21.14 N ATOM 135 CA ASP A 537 6.799 -31.633 -16.962 1.00 11.24 C ATOM 136 C ASP A 537 6.456 -32.825 -17.870 1.00 3.43 C ATOM 137 O ASP A 537 5.437 -33.459 -17.667 1.00 51.12 O ATOM 138 CB ASP A 537 5.624 -30.643 -16.905 1.00 20.51 C ATOM 139 CG ASP A 537 5.551 -29.718 -18.119 1.00 5.45 C ATOM 140 OD1 ASP A 537 6.184 -29.973 -19.165 1.00 65.20 O ATOM 141 OD2 ASP A 537 4.942 -28.636 -17.948 1.00 44.21 O ATOM 0 H ASP A 537 8.017 -30.607 -18.317 1.00 21.14 H new ATOM 0 HA ASP A 537 6.977 -32.043 -15.968 1.00 11.24 H new ATOM 0 HB2 ASP A 537 4.691 -31.202 -16.826 1.00 20.51 H new ATOM 0 HB3 ASP A 537 5.711 -30.039 -16.002 1.00 20.51 H new ATOM 146 N THR A 538 7.335 -33.179 -18.805 1.00 53.33 N ATOM 147 CA THR A 538 7.141 -34.342 -19.666 1.00 40.21 C ATOM 148 C THR A 538 8.506 -34.987 -19.961 1.00 52.25 C ATOM 149 O THR A 538 9.468 -34.297 -20.313 1.00 61.41 O ATOM 150 CB THR A 538 6.462 -33.939 -20.993 1.00 41.32 C ATOM 151 OG1 THR A 538 5.292 -33.167 -20.711 1.00 70.12 O ATOM 152 CG2 THR A 538 6.038 -35.159 -21.798 1.00 54.20 C ATOM 0 H THR A 538 8.199 -32.669 -18.986 1.00 53.33 H new ATOM 0 HA THR A 538 6.494 -35.053 -19.152 1.00 40.21 H new ATOM 0 HB THR A 538 7.184 -33.365 -21.573 1.00 41.32 H new ATOM 0 HG1 THR A 538 4.860 -32.909 -21.552 1.00 70.12 H new ATOM 0 HG21 THR A 538 5.564 -34.836 -22.725 1.00 54.20 H new ATOM 0 HG22 THR A 538 6.914 -35.764 -22.030 1.00 54.20 H new ATOM 0 HG23 THR A 538 5.332 -35.751 -21.216 1.00 54.20 H new ATOM 160 N ILE A 539 8.582 -36.296 -19.778 1.00 65.52 N ATOM 161 CA ILE A 539 9.806 -37.097 -19.977 1.00 71.25 C ATOM 162 C ILE A 539 9.457 -38.530 -20.453 1.00 54.34 C ATOM 163 O ILE A 539 8.355 -39.016 -20.229 1.00 53.50 O ATOM 164 CB ILE A 539 10.622 -37.154 -18.621 1.00 65.22 C ATOM 165 CG1 ILE A 539 12.049 -37.702 -18.826 1.00 45.41 C ATOM 166 CG2 ILE A 539 9.836 -37.930 -17.506 1.00 30.33 C ATOM 167 CD1 ILE A 539 12.307 -39.074 -18.194 1.00 54.44 C ATOM 0 H ILE A 539 7.783 -36.855 -19.480 1.00 65.52 H new ATOM 0 HA ILE A 539 10.414 -36.625 -20.749 1.00 71.25 H new ATOM 0 HB ILE A 539 10.736 -36.129 -18.270 1.00 65.22 H new ATOM 0 HG12 ILE A 539 12.248 -37.767 -19.896 1.00 45.41 H new ATOM 0 HG13 ILE A 539 12.761 -36.987 -18.412 1.00 45.41 H new ATOM 0 HG21 ILE A 539 10.427 -37.949 -16.590 1.00 30.33 H new ATOM 0 HG22 ILE A 539 8.887 -37.430 -17.315 1.00 30.33 H new ATOM 0 HG23 ILE A 539 9.648 -38.951 -17.837 1.00 30.33 H new ATOM 0 HD11 ILE A 539 13.335 -39.377 -18.390 1.00 54.44 H new ATOM 0 HD12 ILE A 539 12.145 -39.015 -17.118 1.00 54.44 H new ATOM 0 HD13 ILE A 539 11.624 -39.807 -18.624 1.00 54.44 H new ATOM 179 N HIS A 540 10.417 -39.207 -21.075 1.00 34.14 N ATOM 180 CA HIS A 540 10.311 -40.639 -21.383 1.00 44.53 C ATOM 181 C HIS A 540 11.476 -41.378 -20.746 1.00 1.43 C ATOM 182 O HIS A 540 12.630 -40.985 -20.937 1.00 35.14 O ATOM 183 CB HIS A 540 10.397 -40.893 -22.889 1.00 40.41 C ATOM 184 CG HIS A 540 9.069 -40.916 -23.568 1.00 54.14 C ATOM 185 ND1 HIS A 540 8.552 -42.047 -24.205 1.00 74.44 N ATOM 186 CD2 HIS A 540 8.119 -39.963 -23.728 1.00 70.22 C ATOM 187 CE1 HIS A 540 7.364 -41.743 -24.714 1.00 21.13 C ATOM 188 NE2 HIS A 540 7.086 -40.496 -24.439 1.00 45.31 N ATOM 0 H HIS A 540 11.293 -38.783 -21.382 1.00 34.14 H new ATOM 0 HA HIS A 540 9.351 -40.985 -21.001 1.00 44.53 H new ATOM 0 HB2 HIS A 540 11.015 -40.119 -23.345 1.00 40.41 H new ATOM 0 HB3 HIS A 540 10.900 -41.845 -23.060 1.00 40.41 H new ATOM 0 HD2 HIS A 540 8.172 -38.951 -23.355 1.00 70.22 H new ATOM 0 HE1 HIS A 540 6.729 -42.419 -25.267 1.00 21.13 H new ATOM 0 HE2 HIS A 540 6.236 -40.003 -24.712 1.00 45.31 H new ATOM 196 N VAL A 541 11.183 -42.466 -20.055 1.00 71.14 N ATOM 197 CA VAL A 541 12.229 -43.411 -19.637 1.00 14.43 C ATOM 198 C VAL A 541 11.934 -44.782 -20.209 1.00 13.01 C ATOM 199 O VAL A 541 10.839 -45.055 -20.664 1.00 64.02 O ATOM 200 CB VAL A 541 12.377 -43.571 -18.087 1.00 51.10 C ATOM 201 CG1 VAL A 541 12.823 -42.289 -17.448 1.00 32.03 C ATOM 202 CG2 VAL A 541 11.080 -44.074 -17.437 1.00 13.33 C ATOM 0 H VAL A 541 10.239 -42.725 -19.768 1.00 71.14 H new ATOM 0 HA VAL A 541 13.162 -42.992 -20.014 1.00 14.43 H new ATOM 0 HB VAL A 541 13.146 -44.325 -17.918 1.00 51.10 H new ATOM 0 HG11 VAL A 541 12.917 -42.432 -16.372 1.00 32.03 H new ATOM 0 HG12 VAL A 541 13.788 -41.994 -17.860 1.00 32.03 H new ATOM 0 HG13 VAL A 541 12.089 -41.508 -17.648 1.00 32.03 H new ATOM 0 HG21 VAL A 541 11.226 -44.171 -16.361 1.00 13.33 H new ATOM 0 HG22 VAL A 541 10.276 -43.364 -17.631 1.00 13.33 H new ATOM 0 HG23 VAL A 541 10.816 -45.045 -17.856 1.00 13.33 H new ATOM 212 N SER A 542 12.929 -45.640 -20.114 1.00 3.05 N ATOM 213 CA SER A 542 12.818 -47.052 -20.437 1.00 31.14 C ATOM 214 C SER A 542 12.704 -47.754 -19.105 1.00 35.50 C ATOM 215 O SER A 542 13.082 -47.189 -18.102 1.00 21.14 O ATOM 216 CB SER A 542 14.084 -47.529 -21.130 1.00 22.45 C ATOM 217 OG SER A 542 15.229 -47.227 -20.364 1.00 43.45 O ATOM 0 H SER A 542 13.862 -45.370 -19.802 1.00 3.05 H new ATOM 0 HA SER A 542 11.972 -47.248 -21.095 1.00 31.14 H new ATOM 0 HB2 SER A 542 14.028 -48.605 -21.296 1.00 22.45 H new ATOM 0 HB3 SER A 542 14.164 -47.059 -22.110 1.00 22.45 H new ATOM 0 HG SER A 542 16.029 -47.546 -20.832 1.00 43.45 H new ATOM 223 N GLU A 543 12.237 -48.985 -19.076 1.00 12.02 N ATOM 224 CA GLU A 543 12.344 -49.782 -17.850 1.00 43.24 C ATOM 225 C GLU A 543 13.822 -50.110 -17.642 1.00 61.15 C ATOM 226 O GLU A 543 14.335 -50.121 -16.522 1.00 62.42 O ATOM 227 CB GLU A 543 11.534 -51.085 -17.919 1.00 43.44 C ATOM 228 CG GLU A 543 10.975 -51.441 -19.290 1.00 63.13 C ATOM 229 CD GLU A 543 12.071 -51.623 -20.353 1.00 33.03 C ATOM 230 OE1 GLU A 543 12.954 -52.491 -20.195 1.00 34.22 O ATOM 231 OE2 GLU A 543 12.152 -50.747 -21.244 1.00 21.51 O ATOM 0 H GLU A 543 11.788 -49.456 -19.862 1.00 12.02 H new ATOM 0 HA GLU A 543 11.936 -49.204 -17.021 1.00 43.24 H new ATOM 0 HB2 GLU A 543 12.169 -51.904 -17.581 1.00 43.44 H new ATOM 0 HB3 GLU A 543 10.704 -51.014 -17.216 1.00 43.44 H new ATOM 0 HG2 GLU A 543 10.394 -52.360 -19.213 1.00 63.13 H new ATOM 0 HG3 GLU A 543 10.290 -50.657 -19.612 1.00 63.13 H new ATOM 238 N SER A 544 14.506 -50.310 -18.759 1.00 42.34 N ATOM 239 CA SER A 544 15.917 -50.680 -18.791 1.00 71.54 C ATOM 240 C SER A 544 16.862 -49.637 -18.201 1.00 21.42 C ATOM 241 O SER A 544 18.049 -49.899 -18.016 1.00 22.33 O ATOM 242 CB SER A 544 16.308 -50.928 -20.242 1.00 63.43 C ATOM 243 OG SER A 544 15.156 -50.924 -21.074 1.00 11.12 O ATOM 0 H SER A 544 14.090 -50.219 -19.686 1.00 42.34 H new ATOM 0 HA SER A 544 16.021 -51.568 -18.167 1.00 71.54 H new ATOM 0 HB2 SER A 544 17.006 -50.159 -20.573 1.00 63.43 H new ATOM 0 HB3 SER A 544 16.823 -51.885 -20.328 1.00 63.43 H new ATOM 0 HG SER A 544 15.423 -51.083 -22.003 1.00 11.12 H new ATOM 249 N ILE A 545 16.348 -48.449 -17.917 1.00 74.42 N ATOM 250 CA ILE A 545 17.131 -47.397 -17.300 1.00 23.10 C ATOM 251 C ILE A 545 17.463 -47.765 -15.853 1.00 45.22 C ATOM 252 O ILE A 545 18.463 -47.303 -15.295 1.00 13.41 O ATOM 253 CB ILE A 545 16.342 -46.066 -17.321 1.00 51.43 C ATOM 254 CG1 ILE A 545 17.288 -44.897 -17.055 1.00 2.41 C ATOM 255 CG2 ILE A 545 15.171 -46.085 -16.321 1.00 31.14 C ATOM 256 CD1 ILE A 545 16.597 -43.583 -16.990 1.00 4.42 C ATOM 0 H ILE A 545 15.380 -48.191 -18.108 1.00 74.42 H new ATOM 0 HA ILE A 545 18.057 -47.279 -17.863 1.00 23.10 H new ATOM 0 HB ILE A 545 15.905 -45.939 -18.312 1.00 51.43 H new ATOM 0 HG12 ILE A 545 17.813 -45.070 -16.116 1.00 2.41 H new ATOM 0 HG13 ILE A 545 18.043 -44.864 -17.841 1.00 2.41 H new ATOM 0 HG21 ILE A 545 14.640 -45.134 -16.364 1.00 31.14 H new ATOM 0 HG22 ILE A 545 14.487 -46.894 -16.577 1.00 31.14 H new ATOM 0 HG23 ILE A 545 15.556 -46.241 -15.313 1.00 31.14 H new ATOM 0 HD11 ILE A 545 17.327 -42.797 -16.799 1.00 4.42 H new ATOM 0 HD12 ILE A 545 16.095 -43.389 -17.938 1.00 4.42 H new ATOM 0 HD13 ILE A 545 15.861 -43.598 -16.186 1.00 4.42 H new ATOM 268 N GLY A 546 16.615 -48.571 -15.228 1.00 2.01 N ATOM 269 CA GLY A 546 16.823 -48.901 -13.838 1.00 51.53 C ATOM 270 C GLY A 546 16.192 -47.889 -12.922 1.00 42.30 C ATOM 271 O GLY A 546 15.244 -48.180 -12.201 1.00 5.12 O ATOM 0 H GLY A 546 15.794 -48.998 -15.657 1.00 2.01 H new ATOM 0 HA2 GLY A 546 16.406 -49.887 -13.632 1.00 51.53 H new ATOM 0 HA3 GLY A 546 17.892 -48.958 -13.634 1.00 51.53 H new ATOM 275 N VAL A 547 16.755 -46.693 -12.917 1.00 61.22 N ATOM 276 CA VAL A 547 16.328 -45.645 -12.005 1.00 32.22 C ATOM 277 C VAL A 547 16.161 -44.319 -12.745 1.00 53.01 C ATOM 278 O VAL A 547 17.100 -43.801 -13.341 1.00 63.23 O ATOM 279 CB VAL A 547 17.362 -45.486 -10.857 1.00 24.14 C ATOM 280 CG1 VAL A 547 16.970 -44.349 -9.916 1.00 32.01 C ATOM 281 CG2 VAL A 547 17.483 -46.795 -10.043 1.00 70.33 C ATOM 0 H VAL A 547 17.516 -46.422 -13.540 1.00 61.22 H new ATOM 0 HA VAL A 547 15.364 -45.928 -11.582 1.00 32.22 H new ATOM 0 HB VAL A 547 18.323 -45.253 -11.316 1.00 24.14 H new ATOM 0 HG11 VAL A 547 17.712 -44.261 -9.122 1.00 32.01 H new ATOM 0 HG12 VAL A 547 16.924 -43.414 -10.474 1.00 32.01 H new ATOM 0 HG13 VAL A 547 15.994 -44.559 -9.478 1.00 32.01 H new ATOM 0 HG21 VAL A 547 18.213 -46.661 -9.244 1.00 70.33 H new ATOM 0 HG22 VAL A 547 16.514 -47.046 -9.611 1.00 70.33 H new ATOM 0 HG23 VAL A 547 17.808 -47.603 -10.699 1.00 70.33 H new ATOM 291 N MET A 548 14.956 -43.778 -12.684 1.00 1.20 N ATOM 292 CA MET A 548 14.650 -42.474 -13.260 1.00 34.10 C ATOM 293 C MET A 548 15.008 -41.385 -12.248 1.00 62.15 C ATOM 294 O MET A 548 15.011 -41.638 -11.038 1.00 43.12 O ATOM 295 CB MET A 548 13.167 -42.397 -13.638 1.00 42.35 C ATOM 296 CG MET A 548 12.231 -41.900 -12.519 1.00 21.40 C ATOM 297 SD MET A 548 12.083 -40.104 -12.415 1.00 35.42 S ATOM 298 CE MET A 548 11.587 -39.678 -14.089 1.00 20.10 C ATOM 0 H MET A 548 14.160 -44.229 -12.234 1.00 1.20 H new ATOM 0 HA MET A 548 15.236 -42.326 -14.167 1.00 34.10 H new ATOM 0 HB2 MET A 548 13.061 -41.736 -14.499 1.00 42.35 H new ATOM 0 HB3 MET A 548 12.837 -43.387 -13.953 1.00 42.35 H new ATOM 0 HG2 MET A 548 11.240 -42.326 -12.675 1.00 21.40 H new ATOM 0 HG3 MET A 548 12.594 -42.279 -11.563 1.00 21.40 H new ATOM 0 HE1 MET A 548 10.832 -38.893 -14.056 1.00 20.10 H new ATOM 0 HE2 MET A 548 12.454 -39.324 -14.646 1.00 20.10 H new ATOM 0 HE3 MET A 548 11.174 -40.558 -14.581 1.00 20.10 H new ATOM 308 N GLU A 549 15.313 -40.190 -12.736 1.00 11.45 N ATOM 309 CA GLU A 549 15.577 -39.051 -11.862 1.00 2.44 C ATOM 310 C GLU A 549 14.949 -37.770 -12.392 1.00 42.32 C ATOM 311 O GLU A 549 14.946 -37.530 -13.600 1.00 44.22 O ATOM 312 CB GLU A 549 17.080 -38.820 -11.670 1.00 43.02 C ATOM 313 CG GLU A 549 17.442 -38.637 -10.223 1.00 65.54 C ATOM 314 CD GLU A 549 18.947 -38.582 -9.969 1.00 1.14 C ATOM 315 OE1 GLU A 549 19.721 -38.362 -10.919 1.00 21.10 O ATOM 316 OE2 GLU A 549 19.349 -38.721 -8.786 1.00 32.21 O ATOM 0 H GLU A 549 15.384 -39.983 -13.732 1.00 11.45 H new ATOM 0 HA GLU A 549 15.125 -39.299 -10.902 1.00 2.44 H new ATOM 0 HB2 GLU A 549 17.632 -39.667 -12.077 1.00 43.02 H new ATOM 0 HB3 GLU A 549 17.386 -37.939 -12.234 1.00 43.02 H new ATOM 0 HG2 GLU A 549 16.987 -37.717 -9.857 1.00 65.54 H new ATOM 0 HG3 GLU A 549 17.014 -39.456 -9.644 1.00 65.54 H new ATOM 323 N VAL A 550 14.470 -36.924 -11.484 1.00 20.44 N ATOM 324 CA VAL A 550 13.990 -35.585 -11.848 1.00 25.31 C ATOM 325 C VAL A 550 14.848 -34.603 -11.092 1.00 54.42 C ATOM 326 O VAL A 550 15.170 -34.827 -9.928 1.00 63.13 O ATOM 327 CB VAL A 550 12.467 -35.360 -11.509 1.00 64.32 C ATOM 328 CG1 VAL A 550 11.725 -36.643 -11.659 1.00 33.24 C ATOM 329 CG2 VAL A 550 12.240 -34.795 -10.096 1.00 45.34 C ATOM 0 H VAL A 550 14.402 -37.138 -10.489 1.00 20.44 H new ATOM 0 HA VAL A 550 14.068 -35.453 -12.927 1.00 25.31 H new ATOM 0 HB VAL A 550 12.093 -34.616 -12.213 1.00 64.32 H new ATOM 0 HG11 VAL A 550 10.673 -36.484 -11.424 1.00 33.24 H new ATOM 0 HG12 VAL A 550 11.818 -36.999 -12.685 1.00 33.24 H new ATOM 0 HG13 VAL A 550 12.141 -37.386 -10.978 1.00 33.24 H new ATOM 0 HG21 VAL A 550 11.172 -34.663 -9.924 1.00 45.34 H new ATOM 0 HG22 VAL A 550 12.643 -35.488 -9.358 1.00 45.34 H new ATOM 0 HG23 VAL A 550 12.744 -33.833 -10.004 1.00 45.34 H new ATOM 339 N LYS A 551 15.220 -33.513 -11.735 1.00 73.24 N ATOM 340 CA LYS A 551 15.960 -32.461 -11.053 1.00 63.23 C ATOM 341 C LYS A 551 14.935 -31.539 -10.414 1.00 34.22 C ATOM 342 O LYS A 551 13.973 -31.112 -11.062 1.00 54.21 O ATOM 343 CB LYS A 551 16.843 -31.691 -12.028 1.00 44.52 C ATOM 344 CG LYS A 551 18.257 -31.442 -11.533 1.00 21.14 C ATOM 345 CD LYS A 551 18.985 -30.501 -12.491 1.00 70.54 C ATOM 346 CE LYS A 551 20.426 -30.265 -12.078 1.00 41.13 C ATOM 347 NZ LYS A 551 21.330 -31.397 -12.450 1.00 0.55 N ATOM 0 H LYS A 551 15.026 -33.330 -12.720 1.00 73.24 H new ATOM 0 HA LYS A 551 16.622 -32.888 -10.299 1.00 63.23 H new ATOM 0 HB2 LYS A 551 16.892 -32.242 -12.967 1.00 44.52 H new ATOM 0 HB3 LYS A 551 16.373 -30.732 -12.245 1.00 44.52 H new ATOM 0 HG2 LYS A 551 18.231 -31.008 -10.533 1.00 21.14 H new ATOM 0 HG3 LYS A 551 18.796 -32.386 -11.457 1.00 21.14 H new ATOM 0 HD2 LYS A 551 18.961 -30.920 -13.497 1.00 70.54 H new ATOM 0 HD3 LYS A 551 18.459 -29.547 -12.530 1.00 70.54 H new ATOM 0 HE2 LYS A 551 20.787 -29.349 -12.545 1.00 41.13 H new ATOM 0 HE3 LYS A 551 20.469 -30.111 -11.000 1.00 41.13 H new ATOM 0 HZ1 LYS A 551 22.300 -31.181 -12.144 1.00 0.55 H new ATOM 0 HZ2 LYS A 551 21.005 -32.268 -11.984 1.00 0.55 H new ATOM 0 HZ3 LYS A 551 21.314 -31.530 -13.481 1.00 0.55 H new ATOM 361 N VAL A 552 15.126 -31.259 -9.139 1.00 41.00 N ATOM 362 CA VAL A 552 14.223 -30.401 -8.384 1.00 11.42 C ATOM 363 C VAL A 552 14.885 -29.046 -8.248 1.00 34.41 C ATOM 364 O VAL A 552 16.073 -28.951 -7.927 1.00 71.00 O ATOM 365 CB VAL A 552 13.919 -30.937 -6.969 1.00 33.42 C ATOM 366 CG1 VAL A 552 12.695 -30.189 -6.394 1.00 41.34 C ATOM 367 CG2 VAL A 552 13.648 -32.459 -6.995 1.00 65.42 C ATOM 0 H VAL A 552 15.910 -31.618 -8.594 1.00 41.00 H new ATOM 0 HA VAL A 552 13.276 -30.355 -8.922 1.00 11.42 H new ATOM 0 HB VAL A 552 14.789 -30.764 -6.335 1.00 33.42 H new ATOM 0 HG11 VAL A 552 12.476 -30.564 -5.394 1.00 41.34 H new ATOM 0 HG12 VAL A 552 12.912 -29.122 -6.342 1.00 41.34 H new ATOM 0 HG13 VAL A 552 11.832 -30.353 -7.040 1.00 41.34 H new ATOM 0 HG21 VAL A 552 13.437 -32.808 -5.984 1.00 65.42 H new ATOM 0 HG22 VAL A 552 12.791 -32.665 -7.636 1.00 65.42 H new ATOM 0 HG23 VAL A 552 14.525 -32.978 -7.383 1.00 65.42 H new ATOM 377 N LEU A 553 14.121 -28.010 -8.546 1.00 74.40 N ATOM 378 CA LEU A 553 14.618 -26.652 -8.620 1.00 2.25 C ATOM 379 C LEU A 553 13.871 -25.764 -7.640 1.00 11.31 C ATOM 380 O LEU A 553 12.768 -26.098 -7.199 1.00 30.04 O ATOM 381 CB LEU A 553 14.387 -26.110 -10.026 1.00 53.21 C ATOM 382 CG LEU A 553 14.706 -27.033 -11.215 1.00 32.42 C ATOM 383 CD1 LEU A 553 14.409 -26.233 -12.468 1.00 72.35 C ATOM 384 CD2 LEU A 553 16.148 -27.564 -11.208 1.00 11.22 C ATOM 0 H LEU A 553 13.124 -28.092 -8.746 1.00 74.40 H new ATOM 0 HA LEU A 553 15.680 -26.655 -8.377 1.00 2.25 H new ATOM 0 HB2 LEU A 553 13.340 -25.815 -10.103 1.00 53.21 H new ATOM 0 HB3 LEU A 553 14.982 -25.204 -10.137 1.00 53.21 H new ATOM 0 HG LEU A 553 14.091 -27.931 -11.158 1.00 32.42 H new ATOM 0 HD11 LEU A 553 14.619 -26.842 -13.347 1.00 72.35 H new ATOM 0 HD12 LEU A 553 13.359 -25.940 -12.472 1.00 72.35 H new ATOM 0 HD13 LEU A 553 15.035 -25.341 -12.487 1.00 72.35 H new ATOM 0 HD21 LEU A 553 16.303 -28.208 -12.074 1.00 11.22 H new ATOM 0 HD22 LEU A 553 16.844 -26.726 -11.249 1.00 11.22 H new ATOM 0 HD23 LEU A 553 16.321 -28.135 -10.296 1.00 11.22 H new ATOM 396 N ARG A 554 14.450 -24.612 -7.323 1.00 61.54 N ATOM 397 CA ARG A 554 13.831 -23.672 -6.412 1.00 74.31 C ATOM 398 C ARG A 554 14.078 -22.226 -6.912 1.00 32.23 C ATOM 399 O ARG A 554 15.076 -21.972 -7.582 1.00 33.44 O ATOM 400 CB ARG A 554 14.393 -23.979 -5.000 1.00 55.33 C ATOM 401 CG ARG A 554 14.294 -22.868 -3.973 1.00 10.42 C ATOM 402 CD ARG A 554 15.609 -22.108 -3.834 1.00 1.43 C ATOM 403 NE ARG A 554 16.372 -22.026 -5.101 1.00 24.30 N ATOM 404 CZ ARG A 554 17.447 -21.286 -5.352 1.00 72.44 C ATOM 405 NH1 ARG A 554 18.015 -20.517 -4.465 1.00 75.11 N ATOM 406 NH2 ARG A 554 17.951 -21.327 -6.551 1.00 45.40 N ATOM 0 H ARG A 554 15.353 -24.310 -7.689 1.00 61.54 H new ATOM 0 HA ARG A 554 12.746 -23.770 -6.365 1.00 74.31 H new ATOM 0 HB2 ARG A 554 13.871 -24.852 -4.608 1.00 55.33 H new ATOM 0 HB3 ARG A 554 15.443 -24.254 -5.104 1.00 55.33 H new ATOM 0 HG2 ARG A 554 13.503 -22.176 -4.261 1.00 10.42 H new ATOM 0 HG3 ARG A 554 14.013 -23.289 -3.008 1.00 10.42 H new ATOM 0 HD2 ARG A 554 15.402 -21.099 -3.476 1.00 1.43 H new ATOM 0 HD3 ARG A 554 16.224 -22.595 -3.078 1.00 1.43 H new ATOM 0 HE ARG A 554 16.033 -22.604 -5.870 1.00 24.30 H new ATOM 0 HH11 ARG A 554 17.635 -20.461 -3.520 1.00 75.11 H new ATOM 0 HH12 ARG A 554 18.839 -19.971 -4.716 1.00 75.11 H new ATOM 0 HH21 ARG A 554 17.521 -21.915 -7.265 1.00 45.40 H new ATOM 0 HH22 ARG A 554 18.776 -20.771 -6.777 1.00 45.40 H new ATOM 420 N THR A 555 13.176 -21.305 -6.585 1.00 31.30 N ATOM 421 CA THR A 555 13.294 -19.865 -6.958 1.00 21.42 C ATOM 422 C THR A 555 14.217 -19.049 -6.035 1.00 31.45 C ATOM 423 O THR A 555 14.782 -19.589 -5.112 1.00 10.22 O ATOM 424 CB THR A 555 11.886 -19.190 -7.010 1.00 13.43 C ATOM 425 OG1 THR A 555 11.953 -18.004 -7.808 1.00 21.33 O ATOM 426 CG2 THR A 555 11.386 -18.795 -5.612 1.00 52.43 C ATOM 0 H THR A 555 12.333 -21.519 -6.052 1.00 31.30 H new ATOM 0 HA THR A 555 13.755 -19.862 -7.946 1.00 21.42 H new ATOM 0 HB THR A 555 11.195 -19.916 -7.438 1.00 13.43 H new ATOM 0 HG1 THR A 555 11.069 -17.582 -7.842 1.00 21.33 H new ATOM 0 HG21 THR A 555 10.404 -18.329 -5.695 1.00 52.43 H new ATOM 0 HG22 THR A 555 11.314 -19.685 -4.986 1.00 52.43 H new ATOM 0 HG23 THR A 555 12.085 -18.090 -5.161 1.00 52.43 H new ATOM 434 N SER A 556 14.345 -17.742 -6.250 1.00 72.33 N ATOM 435 CA SER A 556 15.181 -16.858 -5.410 1.00 50.23 C ATOM 436 C SER A 556 14.631 -16.616 -3.981 1.00 3.20 C ATOM 437 O SER A 556 14.767 -15.536 -3.425 1.00 71.14 O ATOM 438 CB SER A 556 15.327 -15.511 -6.119 1.00 21.23 C ATOM 439 OG SER A 556 14.054 -14.960 -6.394 1.00 4.45 O ATOM 0 H SER A 556 13.874 -17.255 -7.012 1.00 72.33 H new ATOM 0 HA SER A 556 16.137 -17.367 -5.283 1.00 50.23 H new ATOM 0 HB2 SER A 556 15.901 -14.825 -5.496 1.00 21.23 H new ATOM 0 HB3 SER A 556 15.883 -15.640 -7.047 1.00 21.23 H new ATOM 0 HG SER A 556 14.162 -14.097 -6.846 1.00 4.45 H new ATOM 445 N GLY A 557 14.025 -17.642 -3.405 1.00 75.34 N ATOM 446 CA GLY A 557 13.460 -17.581 -2.064 1.00 21.21 C ATOM 447 C GLY A 557 14.299 -18.306 -1.029 1.00 54.44 C ATOM 448 O GLY A 557 13.886 -18.533 0.085 1.00 12.05 O ATOM 0 H GLY A 557 13.910 -18.549 -3.858 1.00 75.34 H new ATOM 0 HA2 GLY A 557 13.353 -16.537 -1.769 1.00 21.21 H new ATOM 0 HA3 GLY A 557 12.459 -18.013 -2.078 1.00 21.21 H new ATOM 452 N ALA A 558 15.463 -18.776 -1.421 1.00 54.44 N ATOM 453 CA ALA A 558 16.240 -19.653 -0.533 1.00 55.41 C ATOM 454 C ALA A 558 16.769 -18.962 0.711 1.00 31.55 C ATOM 455 O ALA A 558 17.773 -18.258 0.667 1.00 24.14 O ATOM 456 CB ALA A 558 17.364 -20.279 -1.258 1.00 34.32 C ATOM 0 H ALA A 558 15.895 -18.580 -2.324 1.00 54.44 H new ATOM 0 HA ALA A 558 15.535 -20.414 -0.199 1.00 55.41 H new ATOM 0 HB1 ALA A 558 17.922 -20.922 -0.578 1.00 34.32 H new ATOM 0 HB2 ALA A 558 16.977 -20.874 -2.085 1.00 34.32 H new ATOM 0 HB3 ALA A 558 18.023 -19.503 -1.647 1.00 34.32 H new ATOM 462 N ARG A 559 16.101 -19.208 1.827 1.00 44.31 N ATOM 463 CA ARG A 559 16.517 -18.670 3.112 1.00 35.24 C ATOM 464 C ARG A 559 16.301 -19.741 4.174 1.00 72.14 C ATOM 465 O ARG A 559 15.176 -19.997 4.570 1.00 10.31 O ATOM 466 CB ARG A 559 15.695 -17.417 3.430 1.00 1.54 C ATOM 467 CG ARG A 559 15.741 -16.349 2.319 1.00 22.34 C ATOM 468 CD ARG A 559 15.126 -15.064 2.801 1.00 4.43 C ATOM 469 NE ARG A 559 15.988 -14.350 3.757 1.00 5.53 N ATOM 470 CZ ARG A 559 15.561 -13.483 4.669 1.00 10.21 C ATOM 471 NH1 ARG A 559 14.289 -13.201 4.825 1.00 55.33 N ATOM 472 NH2 ARG A 559 16.431 -12.889 5.438 1.00 71.41 N ATOM 0 H ARG A 559 15.260 -19.783 1.868 1.00 44.31 H new ATOM 0 HA ARG A 559 17.571 -18.391 3.089 1.00 35.24 H new ATOM 0 HB2 ARG A 559 14.658 -17.707 3.601 1.00 1.54 H new ATOM 0 HB3 ARG A 559 16.061 -16.979 4.359 1.00 1.54 H new ATOM 0 HG2 ARG A 559 16.773 -16.174 2.016 1.00 22.34 H new ATOM 0 HG3 ARG A 559 15.207 -16.707 1.439 1.00 22.34 H new ATOM 0 HD2 ARG A 559 14.924 -14.418 1.946 1.00 4.43 H new ATOM 0 HD3 ARG A 559 14.167 -15.278 3.272 1.00 4.43 H new ATOM 0 HE ARG A 559 16.990 -14.535 3.716 1.00 5.53 H new ATOM 0 HH11 ARG A 559 13.590 -13.653 4.235 1.00 55.33 H new ATOM 0 HH12 ARG A 559 13.999 -12.530 5.536 1.00 55.33 H new ATOM 0 HH21 ARG A 559 17.425 -13.092 5.335 1.00 71.41 H new ATOM 0 HH22 ARG A 559 16.117 -12.221 6.142 1.00 71.41 H new ATOM 486 N GLY A 560 17.368 -20.375 4.625 1.00 53.51 N ATOM 487 CA GLY A 560 17.249 -21.408 5.638 1.00 3.33 C ATOM 488 C GLY A 560 17.163 -22.809 5.078 1.00 75.13 C ATOM 489 O GLY A 560 17.528 -23.049 3.925 1.00 2.23 O ATOM 0 H GLY A 560 18.321 -20.195 4.309 1.00 53.51 H new ATOM 0 HA2 GLY A 560 18.107 -21.347 6.307 1.00 3.33 H new ATOM 0 HA3 GLY A 560 16.361 -21.213 6.239 1.00 3.33 H new ATOM 493 N THR A 561 16.683 -23.725 5.901 1.00 34.23 N ATOM 494 CA THR A 561 16.590 -25.134 5.563 1.00 74.50 C ATOM 495 C THR A 561 15.122 -25.485 5.467 1.00 21.05 C ATOM 496 O THR A 561 14.326 -25.133 6.317 1.00 42.10 O ATOM 497 CB THR A 561 17.286 -25.995 6.639 1.00 64.23 C ATOM 498 OG1 THR A 561 18.660 -25.603 6.728 1.00 1.12 O ATOM 499 CG2 THR A 561 17.207 -27.471 6.327 1.00 43.23 C ATOM 0 H THR A 561 16.342 -23.507 6.837 1.00 34.23 H new ATOM 0 HA THR A 561 17.089 -25.332 4.614 1.00 74.50 H new ATOM 0 HB THR A 561 16.772 -25.831 7.586 1.00 64.23 H new ATOM 0 HG1 THR A 561 18.724 -24.734 7.177 1.00 1.12 H new ATOM 0 HG21 THR A 561 17.710 -28.036 7.112 1.00 43.23 H new ATOM 0 HG22 THR A 561 16.162 -27.776 6.273 1.00 43.23 H new ATOM 0 HG23 THR A 561 17.692 -27.667 5.371 1.00 43.23 H new ATOM 507 N VAL A 562 14.776 -26.124 4.378 1.00 61.32 N ATOM 508 CA VAL A 562 13.406 -26.496 4.034 1.00 71.24 C ATOM 509 C VAL A 562 13.428 -27.991 3.713 1.00 32.35 C ATOM 510 O VAL A 562 14.350 -28.456 3.074 1.00 42.11 O ATOM 511 CB VAL A 562 12.935 -25.700 2.768 1.00 65.21 C ATOM 512 CG1 VAL A 562 11.547 -26.140 2.304 1.00 14.32 C ATOM 513 CG2 VAL A 562 12.919 -24.189 3.037 1.00 65.13 C ATOM 0 H VAL A 562 15.456 -26.414 3.675 1.00 61.32 H new ATOM 0 HA VAL A 562 12.723 -26.271 4.853 1.00 71.24 H new ATOM 0 HB VAL A 562 13.654 -25.920 1.979 1.00 65.21 H new ATOM 0 HG11 VAL A 562 11.258 -25.564 1.425 1.00 14.32 H new ATOM 0 HG12 VAL A 562 11.566 -27.201 2.053 1.00 14.32 H new ATOM 0 HG13 VAL A 562 10.825 -25.969 3.103 1.00 14.32 H new ATOM 0 HG21 VAL A 562 12.588 -23.663 2.141 1.00 65.13 H new ATOM 0 HG22 VAL A 562 12.235 -23.973 3.858 1.00 65.13 H new ATOM 0 HG23 VAL A 562 13.922 -23.856 3.303 1.00 65.13 H new ATOM 523 N ILE A 563 12.423 -28.740 4.133 1.00 43.42 N ATOM 524 CA ILE A 563 12.333 -30.152 3.785 1.00 34.31 C ATOM 525 C ILE A 563 11.145 -30.293 2.827 1.00 2.42 C ATOM 526 O ILE A 563 10.125 -29.612 2.998 1.00 3.31 O ATOM 527 CB ILE A 563 12.210 -31.051 5.058 1.00 21.52 C ATOM 528 CG1 ILE A 563 12.920 -32.385 4.817 1.00 62.01 C ATOM 529 CG2 ILE A 563 10.746 -31.304 5.459 1.00 71.34 C ATOM 530 CD1 ILE A 563 13.378 -33.079 6.087 1.00 63.42 C ATOM 0 H ILE A 563 11.658 -28.397 4.714 1.00 43.42 H new ATOM 0 HA ILE A 563 13.242 -30.499 3.294 1.00 34.31 H new ATOM 0 HB ILE A 563 12.683 -30.517 5.882 1.00 21.52 H new ATOM 0 HG12 ILE A 563 12.248 -33.050 4.274 1.00 62.01 H new ATOM 0 HG13 ILE A 563 13.785 -32.214 4.176 1.00 62.01 H new ATOM 0 HG21 ILE A 563 10.716 -31.933 6.348 1.00 71.34 H new ATOM 0 HG22 ILE A 563 10.257 -30.353 5.671 1.00 71.34 H new ATOM 0 HG23 ILE A 563 10.226 -31.805 4.642 1.00 71.34 H new ATOM 0 HD11 ILE A 563 13.872 -34.017 5.832 1.00 63.42 H new ATOM 0 HD12 ILE A 563 14.076 -32.435 6.622 1.00 63.42 H new ATOM 0 HD13 ILE A 563 12.515 -33.284 6.721 1.00 63.42 H new ATOM 542 N VAL A 564 11.289 -31.102 1.786 1.00 22.11 N ATOM 543 CA VAL A 564 10.213 -31.271 0.802 1.00 20.01 C ATOM 544 C VAL A 564 9.988 -32.748 0.437 1.00 34.21 C ATOM 545 O VAL A 564 10.853 -33.379 -0.168 1.00 43.51 O ATOM 546 CB VAL A 564 10.495 -30.503 -0.526 1.00 64.53 C ATOM 547 CG1 VAL A 564 9.222 -30.479 -1.402 1.00 3.42 C ATOM 548 CG2 VAL A 564 10.957 -29.066 -0.249 1.00 3.13 C ATOM 0 H VAL A 564 12.129 -31.649 1.597 1.00 22.11 H new ATOM 0 HA VAL A 564 9.326 -30.863 1.286 1.00 20.01 H new ATOM 0 HB VAL A 564 11.293 -31.025 -1.054 1.00 64.53 H new ATOM 0 HG11 VAL A 564 9.427 -29.941 -2.327 1.00 3.42 H new ATOM 0 HG12 VAL A 564 8.921 -31.500 -1.635 1.00 3.42 H new ATOM 0 HG13 VAL A 564 8.418 -29.979 -0.862 1.00 3.42 H new ATOM 0 HG21 VAL A 564 11.146 -28.556 -1.194 1.00 3.13 H new ATOM 0 HG22 VAL A 564 10.181 -28.534 0.302 1.00 3.13 H new ATOM 0 HG23 VAL A 564 11.873 -29.086 0.342 1.00 3.13 H new ATOM 558 N PRO A 565 8.822 -33.315 0.790 1.00 62.11 N ATOM 559 CA PRO A 565 8.504 -34.679 0.358 1.00 63.33 C ATOM 560 C PRO A 565 8.096 -34.822 -1.084 1.00 63.22 C ATOM 561 O PRO A 565 7.609 -33.880 -1.696 1.00 12.21 O ATOM 562 CB PRO A 565 7.308 -35.051 1.247 1.00 2.11 C ATOM 563 CG PRO A 565 6.672 -33.773 1.567 1.00 63.42 C ATOM 564 CD PRO A 565 7.731 -32.731 1.588 1.00 52.22 C ATOM 0 HA PRO A 565 9.389 -35.309 0.448 1.00 63.33 H new ATOM 0 HB2 PRO A 565 6.620 -35.717 0.726 1.00 2.11 H new ATOM 0 HB3 PRO A 565 7.631 -35.569 2.150 1.00 2.11 H new ATOM 0 HG2 PRO A 565 5.911 -33.529 0.826 1.00 63.42 H new ATOM 0 HG3 PRO A 565 6.170 -33.827 2.533 1.00 63.42 H new ATOM 0 HD2 PRO A 565 7.378 -31.794 1.156 1.00 52.22 H new ATOM 0 HD3 PRO A 565 8.054 -32.511 2.605 1.00 52.22 H new ATOM 572 N PHE A 566 8.225 -36.040 -1.587 1.00 54.14 N ATOM 573 CA PHE A 566 7.748 -36.410 -2.902 1.00 21.10 C ATOM 574 C PHE A 566 7.172 -37.803 -2.797 1.00 11.52 C ATOM 575 O PHE A 566 7.465 -38.507 -1.831 1.00 22.03 O ATOM 576 CB PHE A 566 8.916 -36.438 -3.865 1.00 41.32 C ATOM 577 CG PHE A 566 9.968 -37.470 -3.517 1.00 11.13 C ATOM 578 CD1 PHE A 566 11.041 -37.134 -2.670 1.00 21.03 C ATOM 579 CD2 PHE A 566 9.900 -38.777 -4.041 1.00 4.43 C ATOM 580 CE1 PHE A 566 12.037 -38.090 -2.345 1.00 62.31 C ATOM 581 CE2 PHE A 566 10.887 -39.740 -3.714 1.00 21.10 C ATOM 582 CZ PHE A 566 11.956 -39.393 -2.870 1.00 43.25 C ATOM 0 H PHE A 566 8.671 -36.807 -1.083 1.00 54.14 H new ATOM 0 HA PHE A 566 7.001 -35.700 -3.257 1.00 21.10 H new ATOM 0 HB2 PHE A 566 8.542 -36.637 -4.869 1.00 41.32 H new ATOM 0 HB3 PHE A 566 9.380 -35.452 -3.888 1.00 41.32 H new ATOM 0 HD1 PHE A 566 11.107 -36.136 -2.263 1.00 21.03 H new ATOM 0 HD2 PHE A 566 9.087 -39.047 -4.699 1.00 4.43 H new ATOM 0 HE1 PHE A 566 12.856 -37.818 -1.696 1.00 62.31 H new ATOM 0 HE2 PHE A 566 10.818 -40.741 -4.114 1.00 21.10 H new ATOM 0 HZ PHE A 566 12.713 -40.124 -2.625 1.00 43.25 H new ATOM 592 N ARG A 567 6.408 -38.214 -3.800 1.00 22.33 N ATOM 593 CA ARG A 567 5.936 -39.596 -3.901 1.00 5.51 C ATOM 594 C ARG A 567 5.631 -39.889 -5.356 1.00 65.23 C ATOM 595 O ARG A 567 5.315 -38.965 -6.113 1.00 21.53 O ATOM 596 CB ARG A 567 4.697 -39.814 -3.020 1.00 41.33 C ATOM 597 CG ARG A 567 3.492 -38.996 -3.429 1.00 52.15 C ATOM 598 CD ARG A 567 2.610 -39.746 -4.410 1.00 52.40 C ATOM 599 NE ARG A 567 2.018 -40.987 -3.856 1.00 12.12 N ATOM 600 CZ ARG A 567 1.057 -41.711 -4.430 1.00 65.11 C ATOM 601 NH1 ARG A 567 0.418 -41.316 -5.496 1.00 75.12 N ATOM 602 NH2 ARG A 567 0.745 -42.870 -3.926 1.00 71.40 N ATOM 0 H ARG A 567 6.098 -37.609 -4.561 1.00 22.33 H new ATOM 0 HA ARG A 567 6.706 -40.280 -3.544 1.00 5.51 H new ATOM 0 HB2 ARG A 567 4.430 -40.870 -3.044 1.00 41.33 H new ATOM 0 HB3 ARG A 567 4.952 -39.573 -1.988 1.00 41.33 H new ATOM 0 HG2 ARG A 567 2.912 -38.736 -2.544 1.00 52.15 H new ATOM 0 HG3 ARG A 567 3.823 -38.060 -3.880 1.00 52.15 H new ATOM 0 HD2 ARG A 567 1.807 -39.087 -4.739 1.00 52.40 H new ATOM 0 HD3 ARG A 567 3.197 -39.998 -5.293 1.00 52.40 H new ATOM 0 HE ARG A 567 2.377 -41.315 -2.959 1.00 12.12 H new ATOM 0 HH11 ARG A 567 0.647 -40.419 -5.925 1.00 75.12 H new ATOM 0 HH12 ARG A 567 -0.311 -41.904 -5.901 1.00 75.12 H new ATOM 0 HH21 ARG A 567 1.234 -43.215 -3.100 1.00 71.40 H new ATOM 0 HH22 ARG A 567 0.011 -43.433 -4.357 1.00 71.40 H new ATOM 616 N THR A 568 5.694 -41.151 -5.739 1.00 34.44 N ATOM 617 CA THR A 568 5.416 -41.556 -7.114 1.00 2.14 C ATOM 618 C THR A 568 3.898 -41.654 -7.265 1.00 2.20 C ATOM 619 O THR A 568 3.219 -42.135 -6.378 1.00 70.21 O ATOM 620 CB THR A 568 6.116 -42.885 -7.392 1.00 14.21 C ATOM 621 OG1 THR A 568 7.487 -42.757 -7.019 1.00 70.25 O ATOM 622 CG2 THR A 568 6.095 -43.236 -8.819 1.00 44.23 C ATOM 0 H THR A 568 5.937 -41.921 -5.116 1.00 34.44 H new ATOM 0 HA THR A 568 5.794 -40.835 -7.839 1.00 2.14 H new ATOM 0 HB THR A 568 5.593 -43.657 -6.827 1.00 14.21 H new ATOM 0 HG1 THR A 568 7.547 -42.513 -6.072 1.00 70.25 H new ATOM 0 HG21 THR A 568 6.604 -44.188 -8.967 1.00 44.23 H new ATOM 0 HG22 THR A 568 5.062 -43.320 -9.158 1.00 44.23 H new ATOM 0 HG23 THR A 568 6.603 -42.460 -9.392 1.00 44.23 H new ATOM 630 N VAL A 569 3.372 -41.079 -8.332 1.00 43.44 N ATOM 631 CA VAL A 569 1.951 -40.863 -8.528 1.00 71.41 C ATOM 632 C VAL A 569 1.636 -41.546 -9.807 1.00 41.15 C ATOM 633 O VAL A 569 2.069 -41.153 -10.875 1.00 43.34 O ATOM 634 CB VAL A 569 1.565 -39.369 -8.718 1.00 22.54 C ATOM 635 CG1 VAL A 569 0.036 -39.227 -8.903 1.00 11.03 C ATOM 636 CG2 VAL A 569 2.000 -38.516 -7.553 1.00 14.21 C ATOM 0 H VAL A 569 3.940 -40.740 -9.109 1.00 43.44 H new ATOM 0 HA VAL A 569 1.415 -41.226 -7.651 1.00 71.41 H new ATOM 0 HB VAL A 569 2.085 -39.020 -9.610 1.00 22.54 H new ATOM 0 HG11 VAL A 569 -0.218 -38.175 -9.035 1.00 11.03 H new ATOM 0 HG12 VAL A 569 -0.278 -39.789 -9.782 1.00 11.03 H new ATOM 0 HG13 VAL A 569 -0.475 -39.616 -8.022 1.00 11.03 H new ATOM 0 HG21 VAL A 569 1.709 -37.481 -7.731 1.00 14.21 H new ATOM 0 HG22 VAL A 569 1.523 -38.875 -6.641 1.00 14.21 H new ATOM 0 HG23 VAL A 569 3.083 -38.574 -7.444 1.00 14.21 H new ATOM 646 N GLU A 570 0.912 -42.609 -9.676 1.00 71.23 N ATOM 647 CA GLU A 570 0.553 -43.412 -10.802 1.00 11.55 C ATOM 648 C GLU A 570 -0.632 -42.788 -11.545 1.00 63.13 C ATOM 649 O GLU A 570 -1.527 -42.212 -10.931 1.00 74.43 O ATOM 650 CB GLU A 570 0.304 -44.833 -10.312 1.00 52.21 C ATOM 651 CG GLU A 570 0.048 -45.027 -8.765 1.00 34.10 C ATOM 652 CD GLU A 570 -1.073 -44.166 -8.150 1.00 62.03 C ATOM 653 OE1 GLU A 570 -2.262 -44.494 -8.298 1.00 23.33 O ATOM 654 OE2 GLU A 570 -0.719 -43.209 -7.394 1.00 23.42 O ATOM 0 H GLU A 570 0.551 -42.947 -8.784 1.00 71.23 H new ATOM 0 HA GLU A 570 1.358 -43.455 -11.535 1.00 11.55 H new ATOM 0 HB2 GLU A 570 -0.557 -45.230 -10.850 1.00 52.21 H new ATOM 0 HB3 GLU A 570 1.163 -45.443 -10.592 1.00 52.21 H new ATOM 0 HG2 GLU A 570 -0.187 -46.076 -8.585 1.00 34.10 H new ATOM 0 HG3 GLU A 570 0.976 -44.813 -8.234 1.00 34.10 H new ATOM 661 N GLY A 571 -0.575 -42.835 -12.873 1.00 43.32 N ATOM 662 CA GLY A 571 -1.628 -42.268 -13.705 1.00 74.31 C ATOM 663 C GLY A 571 -2.391 -43.410 -14.329 1.00 1.11 C ATOM 664 O GLY A 571 -3.374 -43.884 -13.765 1.00 51.13 O ATOM 0 H GLY A 571 0.191 -43.261 -13.395 1.00 43.32 H new ATOM 0 HA2 GLY A 571 -2.294 -41.646 -13.107 1.00 74.31 H new ATOM 0 HA3 GLY A 571 -1.201 -41.627 -14.477 1.00 74.31 H new ATOM 668 N THR A 572 -1.870 -43.937 -15.425 1.00 54.51 N ATOM 669 CA THR A 572 -2.307 -45.247 -15.899 1.00 1.52 C ATOM 670 C THR A 572 -1.069 -46.125 -15.823 1.00 32.34 C ATOM 671 O THR A 572 -0.114 -45.945 -16.573 1.00 21.24 O ATOM 672 CB THR A 572 -2.956 -45.217 -17.319 1.00 52.34 C ATOM 673 OG1 THR A 572 -2.959 -46.534 -17.874 1.00 33.25 O ATOM 674 CG2 THR A 572 -2.226 -44.295 -18.284 1.00 72.54 C ATOM 0 H THR A 572 -1.155 -43.489 -15.998 1.00 54.51 H new ATOM 0 HA THR A 572 -3.115 -45.639 -15.281 1.00 1.52 H new ATOM 0 HB THR A 572 -3.970 -44.837 -17.190 1.00 52.34 H new ATOM 0 HG1 THR A 572 -3.368 -46.513 -18.764 1.00 33.25 H new ATOM 0 HG21 THR A 572 -2.723 -44.316 -19.254 1.00 72.54 H new ATOM 0 HG22 THR A 572 -2.236 -43.278 -17.893 1.00 72.54 H new ATOM 0 HG23 THR A 572 -1.195 -44.630 -18.398 1.00 72.54 H new ATOM 682 N ALA A 573 -1.107 -47.064 -14.888 1.00 3.21 N ATOM 683 CA ALA A 573 -0.013 -47.977 -14.583 1.00 73.25 C ATOM 684 C ALA A 573 -0.578 -48.807 -13.445 1.00 2.44 C ATOM 685 O ALA A 573 -1.791 -48.781 -13.215 1.00 52.43 O ATOM 686 CB ALA A 573 1.250 -47.238 -14.119 1.00 43.41 C ATOM 0 H ALA A 573 -1.927 -47.217 -14.301 1.00 3.21 H new ATOM 0 HA ALA A 573 0.297 -48.556 -15.453 1.00 73.25 H new ATOM 0 HB1 ALA A 573 2.036 -47.961 -13.904 1.00 43.41 H new ATOM 0 HB2 ALA A 573 1.585 -46.561 -14.905 1.00 43.41 H new ATOM 0 HB3 ALA A 573 1.027 -46.666 -13.218 1.00 43.41 H new ATOM 692 N LYS A 574 0.280 -49.512 -12.725 1.00 51.04 N ATOM 693 CA LYS A 574 -0.163 -50.386 -11.648 1.00 15.33 C ATOM 694 C LYS A 574 0.291 -49.883 -10.281 1.00 54.12 C ATOM 695 O LYS A 574 -0.422 -50.005 -9.286 1.00 54.22 O ATOM 696 CB LYS A 574 0.434 -51.758 -11.891 1.00 21.22 C ATOM 697 CG LYS A 574 0.592 -52.145 -13.372 1.00 12.53 C ATOM 698 CD LYS A 574 -0.695 -52.578 -14.043 1.00 32.15 C ATOM 699 CE LYS A 574 -0.425 -52.903 -15.514 1.00 61.50 C ATOM 700 NZ LYS A 574 0.864 -53.677 -15.679 1.00 41.12 N ATOM 0 H LYS A 574 1.290 -49.497 -12.867 1.00 51.04 H new ATOM 0 HA LYS A 574 -1.253 -50.413 -11.644 1.00 15.33 H new ATOM 0 HB2 LYS A 574 1.413 -51.802 -11.413 1.00 21.22 H new ATOM 0 HB3 LYS A 574 -0.193 -52.503 -11.401 1.00 21.22 H new ATOM 0 HG2 LYS A 574 1.004 -51.295 -13.916 1.00 12.53 H new ATOM 0 HG3 LYS A 574 1.318 -52.954 -13.449 1.00 12.53 H new ATOM 0 HD2 LYS A 574 -1.104 -53.452 -13.537 1.00 32.15 H new ATOM 0 HD3 LYS A 574 -1.441 -51.787 -13.966 1.00 32.15 H new ATOM 0 HE2 LYS A 574 -1.254 -53.483 -15.918 1.00 61.50 H new ATOM 0 HE3 LYS A 574 -0.373 -51.979 -16.089 1.00 61.50 H new ATOM 0 HZ1 LYS A 574 0.838 -54.209 -16.572 1.00 41.12 H new ATOM 0 HZ2 LYS A 574 1.667 -53.016 -15.693 1.00 41.12 H new ATOM 0 HZ3 LYS A 574 0.975 -54.339 -14.885 1.00 41.12 H new ATOM 714 N GLY A 575 1.491 -49.325 -10.246 1.00 24.12 N ATOM 715 CA GLY A 575 2.069 -48.829 -9.015 1.00 25.44 C ATOM 716 C GLY A 575 2.574 -49.929 -8.106 1.00 72.43 C ATOM 717 O GLY A 575 2.662 -51.100 -8.486 1.00 33.21 O ATOM 0 H GLY A 575 2.085 -49.205 -11.066 1.00 24.12 H new ATOM 0 HA2 GLY A 575 2.893 -48.157 -9.254 1.00 25.44 H new ATOM 0 HA3 GLY A 575 1.322 -48.241 -8.482 1.00 25.44 H new ATOM 721 N GLY A 576 2.897 -49.551 -6.880 1.00 4.34 N ATOM 722 CA GLY A 576 3.360 -50.515 -5.902 1.00 20.34 C ATOM 723 C GLY A 576 4.756 -50.992 -6.224 1.00 2.13 C ATOM 724 O GLY A 576 5.713 -50.274 -5.987 1.00 43.34 O ATOM 0 H GLY A 576 2.847 -48.590 -6.542 1.00 4.34 H new ATOM 0 HA2 GLY A 576 3.347 -50.065 -4.909 1.00 20.34 H new ATOM 0 HA3 GLY A 576 2.679 -51.366 -5.876 1.00 20.34 H new ATOM 728 N GLY A 577 4.856 -52.228 -6.688 1.00 64.31 N ATOM 729 CA GLY A 577 6.116 -52.804 -7.134 1.00 22.41 C ATOM 730 C GLY A 577 6.062 -53.317 -8.559 1.00 60.53 C ATOM 731 O GLY A 577 6.884 -54.145 -8.908 1.00 4.15 O ATOM 0 H GLY A 577 4.062 -52.863 -6.766 1.00 64.31 H new ATOM 0 HA2 GLY A 577 6.901 -52.052 -7.054 1.00 22.41 H new ATOM 0 HA3 GLY A 577 6.390 -53.623 -6.469 1.00 22.41 H new ATOM 735 N GLU A 578 5.021 -52.976 -9.315 1.00 3.32 N ATOM 736 CA GLU A 578 4.777 -53.657 -10.598 1.00 55.13 C ATOM 737 C GLU A 578 5.317 -52.974 -11.860 1.00 4.12 C ATOM 738 O GLU A 578 6.016 -53.628 -12.617 1.00 40.43 O ATOM 739 CB GLU A 578 3.286 -53.932 -10.747 1.00 41.22 C ATOM 740 CG GLU A 578 2.917 -54.577 -12.083 1.00 71.01 C ATOM 741 CD GLU A 578 1.490 -55.140 -12.129 1.00 40.14 C ATOM 742 OE1 GLU A 578 0.828 -55.232 -11.071 1.00 34.22 O ATOM 743 OE2 GLU A 578 1.006 -55.430 -13.257 1.00 33.13 O ATOM 0 H GLU A 578 4.344 -52.251 -9.076 1.00 3.32 H new ATOM 0 HA GLU A 578 5.359 -54.576 -10.535 1.00 55.13 H new ATOM 0 HB2 GLU A 578 2.962 -54.584 -9.936 1.00 41.22 H new ATOM 0 HB3 GLU A 578 2.739 -52.995 -10.641 1.00 41.22 H new ATOM 0 HG2 GLU A 578 3.031 -53.838 -12.876 1.00 71.01 H new ATOM 0 HG3 GLU A 578 3.621 -55.382 -12.294 1.00 71.01 H new ATOM 750 N ASP A 579 5.021 -51.710 -12.099 1.00 54.03 N ATOM 751 CA ASP A 579 5.612 -51.004 -13.255 1.00 24.55 C ATOM 752 C ASP A 579 6.705 -50.068 -12.751 1.00 44.11 C ATOM 753 O ASP A 579 7.697 -49.786 -13.423 1.00 74.21 O ATOM 754 CB ASP A 579 4.555 -50.216 -14.007 1.00 2.33 C ATOM 755 CG ASP A 579 4.099 -49.022 -13.251 1.00 62.32 C ATOM 756 OD1 ASP A 579 3.386 -49.199 -12.235 1.00 61.45 O ATOM 757 OD2 ASP A 579 4.400 -47.896 -13.679 1.00 60.43 O ATOM 0 H ASP A 579 4.389 -51.147 -11.529 1.00 54.03 H new ATOM 0 HA ASP A 579 6.035 -51.735 -13.944 1.00 24.55 H new ATOM 0 HB2 ASP A 579 4.956 -49.902 -14.971 1.00 2.33 H new ATOM 0 HB3 ASP A 579 3.701 -50.862 -14.212 1.00 2.33 H new ATOM 762 N PHE A 580 6.557 -49.667 -11.503 1.00 30.15 N ATOM 763 CA PHE A 580 7.602 -48.943 -10.801 1.00 21.41 C ATOM 764 C PHE A 580 7.513 -49.337 -9.345 1.00 54.33 C ATOM 765 O PHE A 580 6.477 -49.826 -8.889 1.00 73.43 O ATOM 766 CB PHE A 580 7.472 -47.409 -10.964 1.00 33.34 C ATOM 767 CG PHE A 580 6.175 -46.829 -10.422 1.00 0.53 C ATOM 768 CD1 PHE A 580 5.910 -46.799 -9.039 1.00 15.53 C ATOM 769 CD2 PHE A 580 5.222 -46.293 -11.296 1.00 42.35 C ATOM 770 CE1 PHE A 580 4.704 -46.266 -8.539 1.00 22.42 C ATOM 771 CE2 PHE A 580 4.011 -45.757 -10.806 1.00 34.21 C ATOM 772 CZ PHE A 580 3.759 -45.742 -9.422 1.00 31.24 C ATOM 0 H PHE A 580 5.716 -49.832 -10.950 1.00 30.15 H new ATOM 0 HA PHE A 580 8.573 -49.204 -11.223 1.00 21.41 H new ATOM 0 HB2 PHE A 580 8.310 -46.929 -10.458 1.00 33.34 H new ATOM 0 HB3 PHE A 580 7.553 -47.160 -12.022 1.00 33.34 H new ATOM 0 HD1 PHE A 580 6.643 -47.191 -8.350 1.00 15.53 H new ATOM 0 HD2 PHE A 580 5.415 -46.289 -12.359 1.00 42.35 H new ATOM 0 HE1 PHE A 580 4.512 -46.263 -7.476 1.00 22.42 H new ATOM 0 HE2 PHE A 580 3.279 -45.359 -11.493 1.00 34.21 H new ATOM 0 HZ PHE A 580 2.837 -45.326 -9.044 1.00 31.24 H new ATOM 782 N GLU A 581 8.573 -49.066 -8.609 1.00 43.22 N ATOM 783 CA GLU A 581 8.539 -49.177 -7.149 1.00 54.32 C ATOM 784 C GLU A 581 8.169 -47.806 -6.604 1.00 5.22 C ATOM 785 O GLU A 581 8.832 -46.819 -6.928 1.00 54.53 O ATOM 786 CB GLU A 581 9.884 -49.626 -6.587 1.00 3.34 C ATOM 787 CG GLU A 581 10.194 -51.082 -6.888 1.00 64.30 C ATOM 788 CD GLU A 581 11.517 -51.544 -6.280 1.00 40.55 C ATOM 789 OE1 GLU A 581 12.222 -50.727 -5.650 1.00 10.33 O ATOM 790 OE2 GLU A 581 11.897 -52.715 -6.518 1.00 22.34 O ATOM 0 H GLU A 581 9.471 -48.767 -8.990 1.00 43.22 H new ATOM 0 HA GLU A 581 7.809 -49.930 -6.851 1.00 54.32 H new ATOM 0 HB2 GLU A 581 10.673 -48.999 -7.002 1.00 3.34 H new ATOM 0 HB3 GLU A 581 9.890 -49.474 -5.508 1.00 3.34 H new ATOM 0 HG2 GLU A 581 9.386 -51.707 -6.507 1.00 64.30 H new ATOM 0 HG3 GLU A 581 10.226 -51.226 -7.968 1.00 64.30 H new ATOM 797 N ASP A 582 7.090 -47.733 -5.828 1.00 55.24 N ATOM 798 CA ASP A 582 6.614 -46.447 -5.299 1.00 24.50 C ATOM 799 C ASP A 582 7.650 -45.833 -4.423 1.00 3.31 C ATOM 800 O ASP A 582 8.002 -46.315 -3.343 1.00 1.34 O ATOM 801 CB ASP A 582 5.317 -46.566 -4.530 1.00 34.13 C ATOM 802 CG ASP A 582 4.743 -45.198 -4.096 1.00 43.53 C ATOM 803 OD1 ASP A 582 5.275 -44.136 -4.504 1.00 55.42 O ATOM 804 OD2 ASP A 582 3.752 -45.194 -3.328 1.00 61.33 O ATOM 0 H ASP A 582 6.530 -48.539 -5.551 1.00 55.24 H new ATOM 0 HA ASP A 582 6.424 -45.811 -6.164 1.00 24.50 H new ATOM 0 HB2 ASP A 582 4.582 -47.083 -5.147 1.00 34.13 H new ATOM 0 HB3 ASP A 582 5.481 -47.182 -3.646 1.00 34.13 H new ATOM 809 N ALA A 583 8.171 -44.770 -4.972 1.00 21.42 N ATOM 810 CA ALA A 583 9.284 -44.086 -4.413 1.00 61.45 C ATOM 811 C ALA A 583 8.846 -42.780 -3.786 1.00 33.21 C ATOM 812 O ALA A 583 8.437 -41.836 -4.473 1.00 1.41 O ATOM 813 CB ALA A 583 10.265 -43.878 -5.475 1.00 3.32 C ATOM 0 H ALA A 583 7.821 -44.355 -5.835 1.00 21.42 H new ATOM 0 HA ALA A 583 9.736 -44.677 -3.617 1.00 61.45 H new ATOM 0 HB1 ALA A 583 11.132 -43.354 -5.072 1.00 3.32 H new ATOM 0 HB2 ALA A 583 10.578 -44.842 -5.875 1.00 3.32 H new ATOM 0 HB3 ALA A 583 9.818 -43.283 -6.271 1.00 3.32 H new ATOM 819 N TYR A 584 8.925 -42.736 -2.470 1.00 0.33 N ATOM 820 CA TYR A 584 8.548 -41.560 -1.711 1.00 44.24 C ATOM 821 C TYR A 584 9.556 -41.321 -0.610 1.00 53.40 C ATOM 822 O TYR A 584 10.093 -42.260 -0.027 1.00 51.22 O ATOM 823 CB TYR A 584 7.147 -41.740 -1.125 1.00 61.21 C ATOM 824 CG TYR A 584 6.901 -43.098 -0.503 1.00 71.35 C ATOM 825 CD1 TYR A 584 7.214 -43.364 0.845 1.00 2.32 C ATOM 826 CD2 TYR A 584 6.348 -44.135 -1.278 1.00 15.43 C ATOM 827 CE1 TYR A 584 6.983 -44.658 1.402 1.00 41.44 C ATOM 828 CE2 TYR A 584 6.116 -45.416 -0.737 1.00 60.32 C ATOM 829 CZ TYR A 584 6.441 -45.671 0.596 1.00 45.31 C ATOM 830 OH TYR A 584 6.227 -46.920 1.120 1.00 21.02 O ATOM 0 H TYR A 584 9.252 -43.514 -1.897 1.00 0.33 H new ATOM 0 HA TYR A 584 8.536 -40.693 -2.372 1.00 44.24 H new ATOM 0 HB2 TYR A 584 6.981 -40.972 -0.370 1.00 61.21 H new ATOM 0 HB3 TYR A 584 6.412 -41.576 -1.913 1.00 61.21 H new ATOM 0 HD1 TYR A 584 7.632 -42.582 1.462 1.00 2.32 H new ATOM 0 HD2 TYR A 584 6.096 -43.945 -2.311 1.00 15.43 H new ATOM 0 HE1 TYR A 584 7.224 -44.856 2.436 1.00 41.44 H new ATOM 0 HE2 TYR A 584 5.689 -46.196 -1.351 1.00 60.32 H new ATOM 0 HH TYR A 584 5.846 -47.503 0.431 1.00 21.02 H new ATOM 840 N GLY A 585 9.824 -40.060 -0.328 1.00 3.22 N ATOM 841 CA GLY A 585 10.749 -39.729 0.739 1.00 71.21 C ATOM 842 C GLY A 585 10.754 -38.241 0.936 1.00 60.13 C ATOM 843 O GLY A 585 9.987 -37.541 0.282 1.00 41.33 O ATOM 0 H GLY A 585 9.421 -39.259 -0.814 1.00 3.22 H new ATOM 0 HA2 GLY A 585 10.455 -40.230 1.661 1.00 71.21 H new ATOM 0 HA3 GLY A 585 11.751 -40.080 0.491 1.00 71.21 H new ATOM 847 N GLU A 586 11.623 -37.753 1.804 1.00 2.33 N ATOM 848 CA GLU A 586 11.772 -36.319 2.015 1.00 53.23 C ATOM 849 C GLU A 586 13.153 -35.887 1.599 1.00 43.00 C ATOM 850 O GLU A 586 14.129 -36.613 1.773 1.00 5.41 O ATOM 851 CB GLU A 586 11.537 -35.930 3.472 1.00 21.01 C ATOM 852 CG GLU A 586 10.066 -35.815 3.802 1.00 4.11 C ATOM 853 CD GLU A 586 9.780 -34.973 5.033 1.00 55.44 C ATOM 854 OE1 GLU A 586 10.460 -35.118 6.064 1.00 70.54 O ATOM 855 OE2 GLU A 586 8.832 -34.152 4.961 1.00 51.33 O ATOM 0 H GLU A 586 12.239 -38.329 2.377 1.00 2.33 H new ATOM 0 HA GLU A 586 11.020 -35.816 1.408 1.00 53.23 H new ATOM 0 HB2 GLU A 586 11.997 -36.673 4.123 1.00 21.01 H new ATOM 0 HB3 GLU A 586 12.029 -34.979 3.676 1.00 21.01 H new ATOM 0 HG2 GLU A 586 9.544 -35.383 2.948 1.00 4.11 H new ATOM 0 HG3 GLU A 586 9.658 -36.814 3.953 1.00 4.11 H new ATOM 862 N LEU A 587 13.217 -34.698 1.032 1.00 15.52 N ATOM 863 CA LEU A 587 14.455 -34.136 0.543 1.00 71.30 C ATOM 864 C LEU A 587 14.800 -32.933 1.385 1.00 31.43 C ATOM 865 O LEU A 587 14.011 -31.996 1.485 1.00 15.11 O ATOM 866 CB LEU A 587 14.265 -33.676 -0.899 1.00 63.13 C ATOM 867 CG LEU A 587 13.791 -34.718 -1.912 1.00 72.42 C ATOM 868 CD1 LEU A 587 13.244 -34.002 -3.118 1.00 21.45 C ATOM 869 CD2 LEU A 587 14.891 -35.667 -2.341 1.00 54.40 C ATOM 0 H LEU A 587 12.406 -34.094 0.898 1.00 15.52 H new ATOM 0 HA LEU A 587 15.247 -34.883 0.594 1.00 71.30 H new ATOM 0 HB2 LEU A 587 13.548 -32.855 -0.899 1.00 63.13 H new ATOM 0 HB3 LEU A 587 15.214 -33.271 -1.251 1.00 63.13 H new ATOM 0 HG LEU A 587 13.023 -35.324 -1.431 1.00 72.42 H new ATOM 0 HD11 LEU A 587 12.901 -34.733 -3.851 1.00 21.45 H new ATOM 0 HD12 LEU A 587 12.408 -33.370 -2.818 1.00 21.45 H new ATOM 0 HD13 LEU A 587 14.026 -33.384 -3.560 1.00 21.45 H new ATOM 0 HD21 LEU A 587 14.494 -36.383 -3.060 1.00 54.40 H new ATOM 0 HD22 LEU A 587 15.701 -35.101 -2.802 1.00 54.40 H new ATOM 0 HD23 LEU A 587 15.271 -36.201 -1.470 1.00 54.40 H new ATOM 881 N GLU A 588 15.975 -32.943 1.980 1.00 60.32 N ATOM 882 CA GLU A 588 16.440 -31.786 2.727 1.00 52.12 C ATOM 883 C GLU A 588 17.041 -30.797 1.738 1.00 23.34 C ATOM 884 O GLU A 588 17.951 -31.132 0.981 1.00 23.42 O ATOM 885 CB GLU A 588 17.492 -32.186 3.763 1.00 70.53 C ATOM 886 CG GLU A 588 17.871 -31.036 4.693 1.00 30.21 C ATOM 887 CD GLU A 588 19.005 -31.391 5.642 1.00 34.24 C ATOM 888 OE1 GLU A 588 19.851 -32.239 5.284 1.00 72.13 O ATOM 889 OE2 GLU A 588 19.126 -30.727 6.689 1.00 25.22 O ATOM 0 H GLU A 588 16.623 -33.731 1.963 1.00 60.32 H new ATOM 0 HA GLU A 588 15.602 -31.338 3.261 1.00 52.12 H new ATOM 0 HB2 GLU A 588 17.113 -33.018 4.357 1.00 70.53 H new ATOM 0 HB3 GLU A 588 18.385 -32.542 3.249 1.00 70.53 H new ATOM 0 HG2 GLU A 588 18.162 -30.172 4.095 1.00 30.21 H new ATOM 0 HG3 GLU A 588 16.997 -30.742 5.274 1.00 30.21 H new ATOM 896 N PHE A 589 16.535 -29.578 1.758 1.00 23.12 N ATOM 897 CA PHE A 589 17.066 -28.494 0.947 1.00 54.51 C ATOM 898 C PHE A 589 17.603 -27.462 1.913 1.00 12.41 C ATOM 899 O PHE A 589 16.963 -27.139 2.904 1.00 10.25 O ATOM 900 CB PHE A 589 15.970 -27.830 0.111 1.00 32.42 C ATOM 901 CG PHE A 589 15.489 -28.660 -1.044 1.00 15.44 C ATOM 902 CD1 PHE A 589 14.480 -29.624 -0.877 1.00 10.42 C ATOM 903 CD2 PHE A 589 16.016 -28.445 -2.327 1.00 55.45 C ATOM 904 CE1 PHE A 589 13.998 -30.356 -1.982 1.00 73.12 C ATOM 905 CE2 PHE A 589 15.530 -29.162 -3.436 1.00 50.34 C ATOM 906 CZ PHE A 589 14.522 -30.124 -3.257 1.00 35.03 C ATOM 0 H PHE A 589 15.741 -29.309 2.339 1.00 23.12 H new ATOM 0 HA PHE A 589 17.825 -28.882 0.268 1.00 54.51 H new ATOM 0 HB2 PHE A 589 15.123 -27.602 0.758 1.00 32.42 H new ATOM 0 HB3 PHE A 589 16.345 -26.880 -0.270 1.00 32.42 H new ATOM 0 HD1 PHE A 589 14.070 -29.806 0.106 1.00 10.42 H new ATOM 0 HD2 PHE A 589 16.805 -27.720 -2.465 1.00 55.45 H new ATOM 0 HE1 PHE A 589 13.224 -31.096 -1.843 1.00 73.12 H new ATOM 0 HE2 PHE A 589 15.930 -28.973 -4.421 1.00 50.34 H new ATOM 0 HZ PHE A 589 14.152 -30.684 -4.103 1.00 35.03 H new ATOM 916 N LYS A 590 18.758 -26.906 1.610 1.00 64.23 N ATOM 917 CA LYS A 590 19.349 -25.852 2.428 1.00 64.51 C ATOM 918 C LYS A 590 19.552 -24.675 1.510 1.00 65.13 C ATOM 919 O LYS A 590 19.227 -24.750 0.334 1.00 22.23 O ATOM 920 CB LYS A 590 20.672 -26.308 3.053 1.00 33.12 C ATOM 921 CG LYS A 590 20.544 -27.577 3.886 1.00 51.42 C ATOM 922 CD LYS A 590 21.845 -27.887 4.613 1.00 62.21 C ATOM 923 CE LYS A 590 21.788 -29.252 5.287 1.00 21.11 C ATOM 924 NZ LYS A 590 21.753 -30.370 4.280 1.00 0.11 N ATOM 0 H LYS A 590 19.315 -27.166 0.796 1.00 64.23 H new ATOM 0 HA LYS A 590 18.699 -25.591 3.263 1.00 64.51 H new ATOM 0 HB2 LYS A 590 21.401 -26.475 2.260 1.00 33.12 H new ATOM 0 HB3 LYS A 590 21.063 -25.508 3.682 1.00 33.12 H new ATOM 0 HG2 LYS A 590 19.738 -27.461 4.610 1.00 51.42 H new ATOM 0 HG3 LYS A 590 20.275 -28.414 3.241 1.00 51.42 H new ATOM 0 HD2 LYS A 590 22.674 -27.862 3.906 1.00 62.21 H new ATOM 0 HD3 LYS A 590 22.039 -27.117 5.360 1.00 62.21 H new ATOM 0 HE2 LYS A 590 22.655 -29.374 5.936 1.00 21.11 H new ATOM 0 HE3 LYS A 590 20.904 -29.307 5.923 1.00 21.11 H new ATOM 0 HZ1 LYS A 590 21.273 -31.195 4.694 1.00 0.11 H new ATOM 0 HZ2 LYS A 590 21.237 -30.058 3.433 1.00 0.11 H new ATOM 0 HZ3 LYS A 590 22.725 -30.631 4.017 1.00 0.11 H new ATOM 938 N ASN A 591 20.100 -23.603 2.050 1.00 52.52 N ATOM 939 CA ASN A 591 20.323 -22.364 1.312 1.00 24.04 C ATOM 940 C ASN A 591 20.993 -22.545 -0.058 1.00 10.34 C ATOM 941 O ASN A 591 20.481 -22.067 -1.059 1.00 42.53 O ATOM 942 CB ASN A 591 21.218 -21.483 2.178 1.00 43.44 C ATOM 943 CG ASN A 591 21.125 -20.024 1.845 1.00 21.42 C ATOM 944 OD1 ASN A 591 20.419 -19.707 0.828 1.00 3.11 O flip ATOM 945 ND2 ASN A 591 21.591 -19.186 2.596 1.00 51.43 N flip ATOM 0 H ASN A 591 20.407 -23.562 3.022 1.00 52.52 H new ATOM 0 HA ASN A 591 19.346 -21.927 1.108 1.00 24.04 H new ATOM 0 HB2 ASN A 591 20.951 -21.626 3.225 1.00 43.44 H new ATOM 0 HB3 ASN A 591 22.252 -21.808 2.065 1.00 43.44 H new ATOM 0 HD21 ASN A 591 22.150 -19.475 3.399 1.00 51.43 H new ATOM 0 HD22 ASN A 591 21.422 -18.195 2.422 1.00 51.43 H new ATOM 952 N ASP A 592 22.162 -23.166 -0.068 1.00 61.30 N ATOM 953 CA ASP A 592 22.917 -23.423 -1.298 1.00 61.12 C ATOM 954 C ASP A 592 22.407 -24.675 -2.014 1.00 61.42 C ATOM 955 O ASP A 592 22.411 -24.780 -3.233 1.00 70.24 O ATOM 956 CB ASP A 592 24.388 -23.618 -0.930 1.00 40.34 C ATOM 957 CG ASP A 592 24.909 -22.491 -0.065 1.00 43.11 C ATOM 958 OD1 ASP A 592 24.750 -22.592 1.177 1.00 2.14 O ATOM 959 OD2 ASP A 592 25.389 -21.478 -0.609 1.00 3.50 O ATOM 0 H ASP A 592 22.621 -23.509 0.776 1.00 61.30 H new ATOM 0 HA ASP A 592 22.792 -22.575 -1.971 1.00 61.12 H new ATOM 0 HB2 ASP A 592 24.508 -24.565 -0.403 1.00 40.34 H new ATOM 0 HB3 ASP A 592 24.984 -23.682 -1.840 1.00 40.34 H new ATOM 964 N GLU A 593 21.977 -25.627 -1.193 1.00 15.40 N ATOM 965 CA GLU A 593 21.550 -26.995 -1.624 1.00 3.22 C ATOM 966 C GLU A 593 20.271 -27.102 -2.459 1.00 5.32 C ATOM 967 O GLU A 593 19.608 -28.134 -2.484 1.00 23.14 O ATOM 968 CB GLU A 593 21.458 -27.959 -0.442 1.00 20.11 C ATOM 969 CG GLU A 593 22.762 -28.214 0.283 1.00 50.34 C ATOM 970 CD GLU A 593 22.613 -29.327 1.315 1.00 13.35 C ATOM 971 OE1 GLU A 593 21.544 -29.984 1.333 1.00 4.05 O ATOM 972 OE2 GLU A 593 23.526 -29.517 2.139 1.00 72.40 O ATOM 0 H GLU A 593 21.906 -25.488 -0.185 1.00 15.40 H new ATOM 0 HA GLU A 593 22.354 -27.276 -2.304 1.00 3.22 H new ATOM 0 HB2 GLU A 593 20.734 -27.566 0.272 1.00 20.11 H new ATOM 0 HB3 GLU A 593 21.067 -28.912 -0.800 1.00 20.11 H new ATOM 0 HG2 GLU A 593 23.534 -28.484 -0.437 1.00 50.34 H new ATOM 0 HG3 GLU A 593 23.091 -27.299 0.776 1.00 50.34 H new ATOM 979 N THR A 594 19.851 -25.989 -3.016 1.00 51.22 N ATOM 980 CA THR A 594 18.592 -25.849 -3.730 1.00 1.45 C ATOM 981 C THR A 594 18.551 -26.541 -5.083 1.00 62.42 C ATOM 982 O THR A 594 17.615 -26.348 -5.865 1.00 50.10 O ATOM 983 CB THR A 594 18.366 -24.389 -3.944 1.00 3.20 C ATOM 984 OG1 THR A 594 19.411 -23.845 -4.755 1.00 11.41 O ATOM 985 CG2 THR A 594 18.381 -23.670 -2.622 1.00 40.33 C ATOM 0 H THR A 594 20.391 -25.124 -2.986 1.00 51.22 H new ATOM 0 HA THR A 594 17.823 -26.326 -3.123 1.00 1.45 H new ATOM 0 HB THR A 594 17.402 -24.259 -4.436 1.00 3.20 H new ATOM 0 HG1 THR A 594 19.553 -22.905 -4.519 1.00 11.41 H new ATOM 0 HG21 THR A 594 18.216 -22.605 -2.785 1.00 40.33 H new ATOM 0 HG22 THR A 594 17.592 -24.066 -1.983 1.00 40.33 H new ATOM 0 HG23 THR A 594 19.347 -23.817 -2.139 1.00 40.33 H new ATOM 993 N VAL A 595 19.537 -27.391 -5.314 1.00 50.42 N ATOM 994 CA VAL A 595 19.594 -28.259 -6.476 1.00 73.54 C ATOM 995 C VAL A 595 19.505 -29.656 -5.889 1.00 42.22 C ATOM 996 O VAL A 595 20.272 -29.997 -4.982 1.00 70.52 O ATOM 997 CB VAL A 595 20.939 -28.096 -7.239 1.00 22.24 C ATOM 998 CG1 VAL A 595 20.887 -28.821 -8.583 1.00 65.41 C ATOM 999 CG2 VAL A 595 21.267 -26.607 -7.433 1.00 54.42 C ATOM 0 H VAL A 595 20.335 -27.499 -4.687 1.00 50.42 H new ATOM 0 HA VAL A 595 18.804 -28.035 -7.193 1.00 73.54 H new ATOM 0 HB VAL A 595 21.732 -28.547 -6.643 1.00 22.24 H new ATOM 0 HG11 VAL A 595 21.837 -28.695 -9.101 1.00 65.41 H new ATOM 0 HG12 VAL A 595 20.702 -29.882 -8.417 1.00 65.41 H new ATOM 0 HG13 VAL A 595 20.084 -28.404 -9.191 1.00 65.41 H new ATOM 0 HG21 VAL A 595 22.211 -26.509 -7.969 1.00 54.42 H new ATOM 0 HG22 VAL A 595 20.473 -26.131 -8.008 1.00 54.42 H new ATOM 0 HG23 VAL A 595 21.350 -26.123 -6.460 1.00 54.42 H new ATOM 1009 N LYS A 596 18.532 -30.438 -6.325 1.00 34.23 N ATOM 1010 CA LYS A 596 18.320 -31.763 -5.751 1.00 3.11 C ATOM 1011 C LYS A 596 17.706 -32.663 -6.782 1.00 64.05 C ATOM 1012 O LYS A 596 17.372 -32.210 -7.866 1.00 30.44 O ATOM 1013 CB LYS A 596 17.391 -31.651 -4.542 1.00 14.23 C ATOM 1014 CG LYS A 596 17.514 -32.767 -3.495 1.00 42.12 C ATOM 1015 CD LYS A 596 18.883 -32.817 -2.830 1.00 74.32 C ATOM 1016 CE LYS A 596 19.082 -31.576 -1.970 1.00 65.15 C ATOM 1017 NZ LYS A 596 20.234 -31.655 -1.001 1.00 1.24 N ATOM 0 H LYS A 596 17.880 -30.185 -7.067 1.00 34.23 H new ATOM 0 HA LYS A 596 19.275 -32.181 -5.433 1.00 3.11 H new ATOM 0 HB2 LYS A 596 17.579 -30.696 -4.051 1.00 14.23 H new ATOM 0 HB3 LYS A 596 16.362 -31.627 -4.900 1.00 14.23 H new ATOM 0 HG2 LYS A 596 16.751 -32.625 -2.730 1.00 42.12 H new ATOM 0 HG3 LYS A 596 17.313 -33.727 -3.971 1.00 42.12 H new ATOM 0 HD2 LYS A 596 18.967 -33.714 -2.216 1.00 74.32 H new ATOM 0 HD3 LYS A 596 19.664 -32.875 -3.588 1.00 74.32 H new ATOM 0 HE2 LYS A 596 19.235 -30.718 -2.625 1.00 65.15 H new ATOM 0 HE3 LYS A 596 18.166 -31.389 -1.409 1.00 65.15 H new ATOM 0 HZ1 LYS A 596 19.909 -31.380 -0.052 1.00 1.24 H new ATOM 0 HZ2 LYS A 596 20.598 -32.629 -0.973 1.00 1.24 H new ATOM 0 HZ3 LYS A 596 20.991 -31.011 -1.308 1.00 1.24 H new ATOM 1031 N THR A 597 17.538 -33.923 -6.440 1.00 33.31 N ATOM 1032 CA THR A 597 16.979 -34.891 -7.350 1.00 44.01 C ATOM 1033 C THR A 597 16.088 -35.891 -6.624 1.00 15.15 C ATOM 1034 O THR A 597 16.199 -36.061 -5.410 1.00 1.44 O ATOM 1035 CB THR A 597 18.129 -35.650 -7.985 1.00 15.35 C ATOM 1036 OG1 THR A 597 19.352 -35.279 -7.340 1.00 45.04 O ATOM 1037 CG2 THR A 597 18.276 -35.364 -9.483 1.00 2.30 C ATOM 0 H THR A 597 17.785 -34.301 -5.525 1.00 33.31 H new ATOM 0 HA THR A 597 16.375 -34.369 -8.092 1.00 44.01 H new ATOM 0 HB THR A 597 17.913 -36.711 -7.863 1.00 15.35 H new ATOM 0 HG1 THR A 597 20.098 -35.768 -7.746 1.00 45.04 H new ATOM 0 HG21 THR A 597 19.115 -35.935 -9.882 1.00 2.30 H new ATOM 0 HG22 THR A 597 17.361 -35.654 -10.000 1.00 2.30 H new ATOM 0 HG23 THR A 597 18.457 -34.300 -9.634 1.00 2.30 H new ATOM 1045 N ILE A 598 15.217 -36.549 -7.378 1.00 34.31 N ATOM 1046 CA ILE A 598 14.332 -37.602 -6.859 1.00 64.13 C ATOM 1047 C ILE A 598 14.574 -38.832 -7.688 1.00 44.14 C ATOM 1048 O ILE A 598 14.523 -38.752 -8.896 1.00 3.24 O ATOM 1049 CB ILE A 598 12.832 -37.235 -7.006 1.00 3.10 C ATOM 1050 CG1 ILE A 598 12.497 -36.145 -5.989 1.00 72.11 C ATOM 1051 CG2 ILE A 598 11.934 -38.494 -6.812 1.00 51.43 C ATOM 1052 CD1 ILE A 598 11.147 -35.480 -6.162 1.00 24.25 C ATOM 0 H ILE A 598 15.098 -36.371 -8.375 1.00 34.31 H new ATOM 0 HA ILE A 598 14.548 -37.744 -5.800 1.00 64.13 H new ATOM 0 HB ILE A 598 12.637 -36.859 -8.010 1.00 3.10 H new ATOM 0 HG12 ILE A 598 12.543 -36.579 -4.990 1.00 72.11 H new ATOM 0 HG13 ILE A 598 13.269 -35.377 -6.039 1.00 72.11 H new ATOM 0 HG21 ILE A 598 10.886 -38.214 -6.919 1.00 51.43 H new ATOM 0 HG22 ILE A 598 12.188 -39.242 -7.563 1.00 51.43 H new ATOM 0 HG23 ILE A 598 12.099 -38.909 -5.817 1.00 51.43 H new ATOM 0 HD11 ILE A 598 11.012 -34.724 -5.389 1.00 24.25 H new ATOM 0 HD12 ILE A 598 11.097 -35.008 -7.143 1.00 24.25 H new ATOM 0 HD13 ILE A 598 10.359 -36.229 -6.078 1.00 24.25 H new ATOM 1064 N ARG A 599 14.807 -39.961 -7.032 1.00 2.10 N ATOM 1065 CA ARG A 599 15.048 -41.241 -7.716 1.00 53.52 C ATOM 1066 C ARG A 599 13.890 -42.208 -7.532 1.00 71.35 C ATOM 1067 O ARG A 599 13.375 -42.351 -6.427 1.00 31.45 O ATOM 1068 CB ARG A 599 16.333 -41.892 -7.196 1.00 24.42 C ATOM 1069 CG ARG A 599 17.573 -41.289 -7.816 1.00 10.24 C ATOM 1070 CD ARG A 599 18.858 -41.981 -7.413 1.00 34.22 C ATOM 1071 NE ARG A 599 19.236 -41.688 -6.022 1.00 60.13 N ATOM 1072 CZ ARG A 599 20.373 -42.065 -5.451 1.00 61.12 C ATOM 1073 NH1 ARG A 599 21.281 -42.760 -6.091 1.00 61.43 N ATOM 1074 NH2 ARG A 599 20.602 -41.734 -4.210 1.00 52.42 N ATOM 0 H ARG A 599 14.836 -40.024 -6.014 1.00 2.10 H new ATOM 0 HA ARG A 599 15.148 -41.021 -8.779 1.00 53.52 H new ATOM 0 HB2 ARG A 599 16.381 -41.782 -6.113 1.00 24.42 H new ATOM 0 HB3 ARG A 599 16.307 -42.961 -7.407 1.00 24.42 H new ATOM 0 HG2 ARG A 599 17.478 -41.323 -8.901 1.00 10.24 H new ATOM 0 HG3 ARG A 599 17.634 -40.238 -7.534 1.00 10.24 H new ATOM 0 HD2 ARG A 599 18.743 -43.058 -7.537 1.00 34.22 H new ATOM 0 HD3 ARG A 599 19.662 -41.668 -8.079 1.00 34.22 H new ATOM 0 HE ARG A 599 18.576 -41.156 -5.455 1.00 60.13 H new ATOM 0 HH11 ARG A 599 21.126 -43.030 -7.062 1.00 61.43 H new ATOM 0 HH12 ARG A 599 22.143 -43.031 -5.618 1.00 61.43 H new ATOM 0 HH21 ARG A 599 19.911 -41.192 -3.691 1.00 52.42 H new ATOM 0 HH22 ARG A 599 21.472 -42.017 -3.759 1.00 52.42 H new ATOM 1088 N VAL A 600 13.511 -42.873 -8.616 1.00 10.45 N ATOM 1089 CA VAL A 600 12.426 -43.867 -8.616 1.00 41.44 C ATOM 1090 C VAL A 600 12.902 -45.083 -9.408 1.00 64.23 C ATOM 1091 O VAL A 600 13.433 -44.920 -10.506 1.00 62.52 O ATOM 1092 CB VAL A 600 11.152 -43.291 -9.311 1.00 41.34 C ATOM 1093 CG1 VAL A 600 10.019 -44.287 -9.330 1.00 14.52 C ATOM 1094 CG2 VAL A 600 10.730 -41.967 -8.660 1.00 30.24 C ATOM 0 H VAL A 600 13.946 -42.743 -9.530 1.00 10.45 H new ATOM 0 HA VAL A 600 12.177 -44.132 -7.588 1.00 41.44 H new ATOM 0 HB VAL A 600 11.407 -43.089 -10.351 1.00 41.34 H new ATOM 0 HG11 VAL A 600 9.153 -43.844 -9.823 1.00 14.52 H new ATOM 0 HG12 VAL A 600 10.328 -45.180 -9.873 1.00 14.52 H new ATOM 0 HG13 VAL A 600 9.755 -44.558 -8.308 1.00 14.52 H new ATOM 0 HG21 VAL A 600 9.840 -41.583 -9.160 1.00 30.24 H new ATOM 0 HG22 VAL A 600 10.510 -42.134 -7.605 1.00 30.24 H new ATOM 0 HG23 VAL A 600 11.539 -41.242 -8.752 1.00 30.24 H new ATOM 1104 N LYS A 601 12.750 -46.286 -8.863 1.00 31.52 N ATOM 1105 CA LYS A 601 13.188 -47.500 -9.567 1.00 21.40 C ATOM 1106 C LYS A 601 12.074 -47.983 -10.487 1.00 72.43 C ATOM 1107 O LYS A 601 10.923 -48.080 -10.065 1.00 64.43 O ATOM 1108 CB LYS A 601 13.549 -48.612 -8.574 1.00 25.23 C ATOM 1109 CG LYS A 601 14.499 -49.661 -9.170 1.00 21.41 C ATOM 1110 CD LYS A 601 14.176 -51.080 -8.719 1.00 70.24 C ATOM 1111 CE LYS A 601 13.081 -51.691 -9.593 1.00 52.31 C ATOM 1112 NZ LYS A 601 12.741 -53.090 -9.187 1.00 50.35 N ATOM 0 H LYS A 601 12.333 -46.452 -7.947 1.00 31.52 H new ATOM 0 HA LYS A 601 14.076 -47.258 -10.151 1.00 21.40 H new ATOM 0 HB2 LYS A 601 14.013 -48.169 -7.693 1.00 25.23 H new ATOM 0 HB3 LYS A 601 12.636 -49.104 -8.240 1.00 25.23 H new ATOM 0 HG2 LYS A 601 14.450 -49.611 -10.258 1.00 21.41 H new ATOM 0 HG3 LYS A 601 15.523 -49.419 -8.886 1.00 21.41 H new ATOM 0 HD2 LYS A 601 15.074 -51.696 -8.770 1.00 70.24 H new ATOM 0 HD3 LYS A 601 13.854 -51.071 -7.678 1.00 70.24 H new ATOM 0 HE2 LYS A 601 12.186 -51.071 -9.536 1.00 52.31 H new ATOM 0 HE3 LYS A 601 13.406 -51.686 -10.634 1.00 52.31 H new ATOM 0 HZ1 LYS A 601 12.137 -53.525 -9.913 1.00 50.35 H new ATOM 0 HZ2 LYS A 601 13.615 -53.644 -9.086 1.00 50.35 H new ATOM 0 HZ3 LYS A 601 12.234 -53.075 -8.279 1.00 50.35 H new ATOM 1126 N ILE A 602 12.414 -48.284 -11.728 1.00 62.34 N ATOM 1127 CA ILE A 602 11.438 -48.747 -12.714 1.00 13.42 C ATOM 1128 C ILE A 602 11.493 -50.266 -12.738 1.00 72.34 C ATOM 1129 O ILE A 602 12.571 -50.850 -12.621 1.00 12.32 O ATOM 1130 CB ILE A 602 11.743 -48.188 -14.141 1.00 21.54 C ATOM 1131 CG1 ILE A 602 12.055 -46.670 -14.077 1.00 30.20 C ATOM 1132 CG2 ILE A 602 10.541 -48.476 -15.094 1.00 54.42 C ATOM 1133 CD1 ILE A 602 10.912 -45.790 -13.550 1.00 53.22 C ATOM 0 H ILE A 602 13.367 -48.217 -12.085 1.00 62.34 H new ATOM 0 HA ILE A 602 10.448 -48.389 -12.433 1.00 13.42 H new ATOM 0 HB ILE A 602 12.625 -48.692 -14.538 1.00 21.54 H new ATOM 0 HG12 ILE A 602 12.929 -46.521 -13.443 1.00 30.20 H new ATOM 0 HG13 ILE A 602 12.324 -46.328 -15.076 1.00 30.20 H new ATOM 0 HG21 ILE A 602 10.761 -48.083 -16.087 1.00 54.42 H new ATOM 0 HG22 ILE A 602 10.377 -49.552 -15.158 1.00 54.42 H new ATOM 0 HG23 ILE A 602 9.644 -47.994 -14.704 1.00 54.42 H new ATOM 0 HD11 ILE A 602 11.229 -44.747 -13.544 1.00 53.22 H new ATOM 0 HD12 ILE A 602 10.040 -45.901 -14.195 1.00 53.22 H new ATOM 0 HD13 ILE A 602 10.654 -46.097 -12.536 1.00 53.22 H new ATOM 1145 N VAL A 603 10.336 -50.898 -12.830 1.00 22.31 N ATOM 1146 CA VAL A 603 10.226 -52.358 -12.823 1.00 42.13 C ATOM 1147 C VAL A 603 9.944 -52.853 -14.252 1.00 1.30 C ATOM 1148 O VAL A 603 9.283 -52.177 -15.034 1.00 44.42 O ATOM 1149 CB VAL A 603 9.099 -52.791 -11.839 1.00 62.44 C ATOM 1150 CG1 VAL A 603 9.001 -54.311 -11.723 1.00 72.13 C ATOM 1151 CG2 VAL A 603 9.356 -52.213 -10.435 1.00 20.10 C ATOM 0 H VAL A 603 9.440 -50.418 -12.912 1.00 22.31 H new ATOM 0 HA VAL A 603 11.161 -52.805 -12.484 1.00 42.13 H new ATOM 0 HB VAL A 603 8.163 -52.404 -12.242 1.00 62.44 H new ATOM 0 HG11 VAL A 603 8.203 -54.572 -11.027 1.00 72.13 H new ATOM 0 HG12 VAL A 603 8.783 -54.737 -12.702 1.00 72.13 H new ATOM 0 HG13 VAL A 603 9.947 -54.710 -11.356 1.00 72.13 H new ATOM 0 HG21 VAL A 603 8.558 -52.526 -9.761 1.00 20.10 H new ATOM 0 HG22 VAL A 603 10.312 -52.579 -10.060 1.00 20.10 H new ATOM 0 HG23 VAL A 603 9.380 -51.125 -10.488 1.00 20.10 H new ATOM 1295 N GLU A 612 3.358 -47.484 -19.930 1.00 62.43 N ATOM 1296 CA GLU A 612 2.891 -47.151 -18.581 1.00 64.24 C ATOM 1297 C GLU A 612 3.205 -45.672 -18.340 1.00 21.23 C ATOM 1298 O GLU A 612 4.119 -45.110 -18.952 1.00 0.34 O ATOM 1299 CB GLU A 612 3.577 -48.027 -17.519 1.00 12.01 C ATOM 1300 CG GLU A 612 3.352 -49.545 -17.680 1.00 63.14 C ATOM 1301 CD GLU A 612 1.985 -50.036 -17.180 1.00 22.10 C ATOM 1302 OE1 GLU A 612 0.937 -49.606 -17.714 1.00 44.01 O ATOM 1303 OE2 GLU A 612 1.960 -50.934 -16.304 1.00 53.45 O ATOM 0 HA GLU A 612 1.820 -47.338 -18.501 1.00 64.24 H new ATOM 0 HB2 GLU A 612 4.649 -47.829 -17.544 1.00 12.01 H new ATOM 0 HB3 GLU A 612 3.220 -47.725 -16.535 1.00 12.01 H new ATOM 0 HG2 GLU A 612 3.456 -49.807 -18.733 1.00 63.14 H new ATOM 0 HG3 GLU A 612 4.136 -50.076 -17.140 1.00 63.14 H new ATOM 1310 N ASN A 613 2.424 -45.027 -17.488 1.00 4.31 N ATOM 1311 CA ASN A 613 2.538 -43.593 -17.252 1.00 73.21 C ATOM 1312 C ASN A 613 2.391 -43.269 -15.779 1.00 53.22 C ATOM 1313 O ASN A 613 1.456 -43.711 -15.100 1.00 0.14 O ATOM 1314 CB ASN A 613 1.436 -42.896 -18.051 1.00 21.24 C ATOM 1315 CG ASN A 613 0.910 -41.657 -17.379 1.00 11.21 C ATOM 1316 OD1 ASN A 613 -0.132 -41.681 -16.738 1.00 4.51 O ATOM 1317 ND2 ASN A 613 1.590 -40.569 -17.561 1.00 63.21 N ATOM 0 H ASN A 613 1.693 -45.481 -16.940 1.00 4.31 H new ATOM 0 HA ASN A 613 3.522 -43.248 -17.568 1.00 73.21 H new ATOM 0 HB2 ASN A 613 1.822 -42.632 -19.036 1.00 21.24 H new ATOM 0 HB3 ASN A 613 0.613 -43.594 -18.208 1.00 21.24 H new ATOM 0 HD21 ASN A 613 1.261 -39.689 -17.163 1.00 63.21 H new ATOM 0 HD22 ASN A 613 2.454 -40.592 -18.102 1.00 63.21 H new ATOM 1324 N PHE A 614 3.315 -42.463 -15.296 1.00 62.31 N ATOM 1325 CA PHE A 614 3.295 -42.018 -13.917 1.00 54.03 C ATOM 1326 C PHE A 614 3.965 -40.663 -13.828 1.00 70.50 C ATOM 1327 O PHE A 614 4.601 -40.209 -14.765 1.00 72.11 O ATOM 1328 CB PHE A 614 3.997 -43.037 -13.010 1.00 54.05 C ATOM 1329 CG PHE A 614 5.498 -42.937 -13.015 1.00 20.04 C ATOM 1330 CD1 PHE A 614 6.268 -43.637 -13.960 1.00 44.25 C ATOM 1331 CD2 PHE A 614 6.155 -42.155 -12.047 1.00 73.52 C ATOM 1332 CE1 PHE A 614 7.683 -43.565 -13.926 1.00 51.24 C ATOM 1333 CE2 PHE A 614 7.560 -42.077 -12.006 1.00 42.12 C ATOM 1334 CZ PHE A 614 8.323 -42.786 -12.939 1.00 41.03 C ATOM 0 H PHE A 614 4.095 -42.100 -15.843 1.00 62.31 H new ATOM 0 HA PHE A 614 2.263 -41.932 -13.576 1.00 54.03 H new ATOM 0 HB2 PHE A 614 3.639 -42.905 -11.989 1.00 54.05 H new ATOM 0 HB3 PHE A 614 3.710 -44.042 -13.321 1.00 54.05 H new ATOM 0 HD1 PHE A 614 5.779 -44.233 -14.716 1.00 44.25 H new ATOM 0 HD2 PHE A 614 5.571 -41.605 -11.323 1.00 73.52 H new ATOM 0 HE1 PHE A 614 8.270 -44.105 -14.654 1.00 51.24 H new ATOM 0 HE2 PHE A 614 8.047 -41.471 -11.256 1.00 42.12 H new ATOM 0 HZ PHE A 614 9.401 -42.737 -12.904 1.00 41.03 H new ATOM 1344 N PHE A 615 3.810 -40.012 -12.697 1.00 2.51 N ATOM 1345 CA PHE A 615 4.404 -38.713 -12.456 1.00 41.40 C ATOM 1346 C PHE A 615 4.829 -38.720 -11.008 1.00 63.42 C ATOM 1347 O PHE A 615 4.509 -39.635 -10.294 1.00 42.41 O ATOM 1348 CB PHE A 615 3.406 -37.579 -12.720 1.00 41.21 C ATOM 1349 CG PHE A 615 2.023 -38.045 -13.079 1.00 71.14 C ATOM 1350 CD1 PHE A 615 1.725 -38.449 -14.393 1.00 11.13 C ATOM 1351 CD2 PHE A 615 1.006 -38.070 -12.113 1.00 13.43 C ATOM 1352 CE1 PHE A 615 0.433 -38.888 -14.741 1.00 51.03 C ATOM 1353 CE2 PHE A 615 -0.302 -38.507 -12.450 1.00 62.14 C ATOM 1354 CZ PHE A 615 -0.584 -38.916 -13.771 1.00 11.52 C ATOM 0 H PHE A 615 3.265 -40.370 -11.913 1.00 2.51 H new ATOM 0 HA PHE A 615 5.245 -38.538 -13.127 1.00 41.40 H new ATOM 0 HB2 PHE A 615 3.346 -36.949 -11.832 1.00 41.21 H new ATOM 0 HB3 PHE A 615 3.788 -36.955 -13.528 1.00 41.21 H new ATOM 0 HD1 PHE A 615 2.499 -38.422 -15.146 1.00 11.13 H new ATOM 0 HD2 PHE A 615 1.220 -37.754 -11.103 1.00 13.43 H new ATOM 0 HE1 PHE A 615 0.224 -39.203 -15.753 1.00 51.03 H new ATOM 0 HE2 PHE A 615 -1.078 -38.526 -11.699 1.00 62.14 H new ATOM 0 HZ PHE A 615 -1.577 -39.249 -14.035 1.00 11.52 H new ATOM 1364 N ILE A 616 5.562 -37.723 -10.560 1.00 13.53 N ATOM 1365 CA ILE A 616 5.955 -37.650 -9.153 1.00 31.13 C ATOM 1366 C ILE A 616 5.544 -36.282 -8.693 1.00 64.10 C ATOM 1367 O ILE A 616 5.906 -35.296 -9.312 1.00 41.22 O ATOM 1368 CB ILE A 616 7.495 -37.780 -8.979 1.00 43.10 C ATOM 1369 CG1 ILE A 616 8.058 -38.962 -9.793 1.00 73.00 C ATOM 1370 CG2 ILE A 616 7.866 -37.942 -7.489 1.00 10.52 C ATOM 1371 CD1 ILE A 616 9.555 -38.902 -9.941 1.00 21.23 C ATOM 0 H ILE A 616 5.900 -36.953 -11.138 1.00 13.53 H new ATOM 0 HA ILE A 616 5.490 -38.458 -8.588 1.00 31.13 H new ATOM 0 HB ILE A 616 7.943 -36.862 -9.358 1.00 43.10 H new ATOM 0 HG12 ILE A 616 7.782 -39.898 -9.307 1.00 73.00 H new ATOM 0 HG13 ILE A 616 7.599 -38.969 -10.782 1.00 73.00 H new ATOM 0 HG21 ILE A 616 8.948 -38.031 -7.391 1.00 10.52 H new ATOM 0 HG22 ILE A 616 7.522 -37.071 -6.932 1.00 10.52 H new ATOM 0 HG23 ILE A 616 7.391 -38.839 -7.091 1.00 10.52 H new ATOM 0 HD11 ILE A 616 9.898 -39.758 -10.522 1.00 21.23 H new ATOM 0 HD12 ILE A 616 9.833 -37.981 -10.453 1.00 21.23 H new ATOM 0 HD13 ILE A 616 10.019 -38.924 -8.955 1.00 21.23 H new ATOM 1383 N ALA A 617 4.767 -36.217 -7.628 1.00 50.14 N ATOM 1384 CA ALA A 617 4.315 -34.945 -7.093 1.00 50.41 C ATOM 1385 C ALA A 617 4.961 -34.731 -5.752 1.00 1.41 C ATOM 1386 O ALA A 617 5.197 -35.673 -4.990 1.00 51.11 O ATOM 1387 CB ALA A 617 2.776 -34.927 -6.961 1.00 62.11 C ATOM 0 H ALA A 617 4.434 -37.033 -7.114 1.00 50.14 H new ATOM 0 HA ALA A 617 4.600 -34.141 -7.771 1.00 50.41 H new ATOM 0 HB1 ALA A 617 2.457 -33.966 -6.558 1.00 62.11 H new ATOM 0 HB2 ALA A 617 2.325 -35.078 -7.942 1.00 62.11 H new ATOM 0 HB3 ALA A 617 2.459 -35.725 -6.289 1.00 62.11 H new ATOM 1393 N LEU A 618 5.231 -33.474 -5.472 1.00 15.40 N ATOM 1394 CA LEU A 618 5.779 -33.075 -4.198 1.00 72.11 C ATOM 1395 C LEU A 618 4.614 -32.970 -3.231 1.00 52.14 C ATOM 1396 O LEU A 618 3.505 -32.640 -3.639 1.00 73.45 O ATOM 1397 CB LEU A 618 6.496 -31.734 -4.350 1.00 3.22 C ATOM 1398 CG LEU A 618 7.665 -31.769 -5.353 1.00 25.12 C ATOM 1399 CD1 LEU A 618 8.129 -30.361 -5.650 1.00 21.12 C ATOM 1400 CD2 LEU A 618 8.817 -32.617 -4.827 1.00 54.34 C ATOM 0 H LEU A 618 5.076 -32.703 -6.121 1.00 15.40 H new ATOM 0 HA LEU A 618 6.508 -33.795 -3.827 1.00 72.11 H new ATOM 0 HB2 LEU A 618 5.776 -30.981 -4.670 1.00 3.22 H new ATOM 0 HB3 LEU A 618 6.873 -31.421 -3.376 1.00 3.22 H new ATOM 0 HG LEU A 618 7.314 -32.228 -6.277 1.00 25.12 H new ATOM 0 HD11 LEU A 618 8.956 -30.392 -6.360 1.00 21.12 H new ATOM 0 HD12 LEU A 618 7.305 -29.789 -6.077 1.00 21.12 H new ATOM 0 HD13 LEU A 618 8.461 -29.885 -4.727 1.00 21.12 H new ATOM 0 HD21 LEU A 618 9.627 -32.623 -5.556 1.00 54.34 H new ATOM 0 HD22 LEU A 618 9.178 -32.198 -3.887 1.00 54.34 H new ATOM 0 HD23 LEU A 618 8.471 -33.637 -4.661 1.00 54.34 H new ATOM 1412 N GLY A 619 4.866 -33.275 -1.967 1.00 52.54 N ATOM 1413 CA GLY A 619 3.823 -33.210 -0.955 1.00 64.22 C ATOM 1414 C GLY A 619 3.511 -31.765 -0.627 1.00 0.44 C ATOM 1415 O GLY A 619 2.608 -31.153 -1.182 1.00 51.32 O ATOM 0 H GLY A 619 5.779 -33.568 -1.619 1.00 52.54 H new ATOM 0 HA2 GLY A 619 2.925 -33.713 -1.314 1.00 64.22 H new ATOM 0 HA3 GLY A 619 4.144 -33.735 -0.055 1.00 64.22 H new ATOM 1419 N GLU A 620 4.325 -31.194 0.248 1.00 72.23 N ATOM 1420 CA GLU A 620 4.232 -29.782 0.583 1.00 52.03 C ATOM 1421 C GLU A 620 5.595 -29.374 1.154 1.00 24.54 C ATOM 1422 O GLU A 620 6.166 -30.079 1.994 1.00 63.40 O ATOM 1423 CB GLU A 620 3.085 -29.496 1.585 1.00 41.14 C ATOM 1424 CG GLU A 620 3.413 -29.792 3.040 1.00 44.03 C ATOM 1425 CD GLU A 620 2.225 -29.638 3.969 1.00 31.21 C ATOM 1426 OE1 GLU A 620 1.413 -30.580 4.062 1.00 11.11 O ATOM 1427 OE2 GLU A 620 2.146 -28.603 4.669 1.00 1.15 O ATOM 0 H GLU A 620 5.064 -31.693 0.743 1.00 72.23 H new ATOM 0 HA GLU A 620 3.992 -29.196 -0.305 1.00 52.03 H new ATOM 0 HB2 GLU A 620 2.801 -28.447 1.499 1.00 41.14 H new ATOM 0 HB3 GLU A 620 2.216 -30.087 1.297 1.00 41.14 H new ATOM 0 HG2 GLU A 620 3.797 -30.809 3.118 1.00 44.03 H new ATOM 0 HG3 GLU A 620 4.210 -29.125 3.368 1.00 44.03 H new ATOM 1434 N PRO A 621 6.183 -28.288 0.654 1.00 21.11 N ATOM 1435 CA PRO A 621 7.463 -27.881 1.234 1.00 55.33 C ATOM 1436 C PRO A 621 7.259 -27.302 2.640 1.00 51.00 C ATOM 1437 O PRO A 621 6.293 -26.590 2.895 1.00 40.44 O ATOM 1438 CB PRO A 621 7.956 -26.838 0.234 1.00 62.12 C ATOM 1439 CG PRO A 621 6.697 -26.235 -0.304 1.00 2.12 C ATOM 1440 CD PRO A 621 5.765 -27.391 -0.432 1.00 22.11 C ATOM 0 HA PRO A 621 8.175 -28.694 1.374 1.00 55.33 H new ATOM 0 HB2 PRO A 621 8.585 -26.089 0.715 1.00 62.12 H new ATOM 0 HB3 PRO A 621 8.551 -27.293 -0.558 1.00 62.12 H new ATOM 0 HG2 PRO A 621 6.300 -25.475 0.369 1.00 2.12 H new ATOM 0 HG3 PRO A 621 6.866 -25.751 -1.266 1.00 2.12 H new ATOM 0 HD2 PRO A 621 4.725 -27.083 -0.321 1.00 22.11 H new ATOM 0 HD3 PRO A 621 5.853 -27.872 -1.406 1.00 22.11 H new ATOM 1448 N LYS A 622 8.146 -27.643 3.566 1.00 71.55 N ATOM 1449 CA LYS A 622 8.011 -27.227 4.968 1.00 33.53 C ATOM 1450 C LYS A 622 9.329 -26.656 5.451 1.00 1.12 C ATOM 1451 O LYS A 622 10.374 -27.166 5.111 1.00 63.34 O ATOM 1452 CB LYS A 622 7.637 -28.445 5.824 1.00 12.11 C ATOM 1453 CG LYS A 622 6.291 -29.076 5.433 1.00 65.14 C ATOM 1454 CD LYS A 622 6.050 -30.424 6.095 1.00 50.20 C ATOM 1455 CE LYS A 622 6.893 -31.511 5.427 1.00 71.53 C ATOM 1456 NZ LYS A 622 6.572 -32.877 5.942 1.00 31.33 N ATOM 0 H LYS A 622 8.973 -28.209 3.376 1.00 71.55 H new ATOM 0 HA LYS A 622 7.233 -26.468 5.053 1.00 33.53 H new ATOM 0 HB2 LYS A 622 8.421 -29.197 5.736 1.00 12.11 H new ATOM 0 HB3 LYS A 622 7.599 -28.146 6.871 1.00 12.11 H new ATOM 0 HG2 LYS A 622 5.485 -28.395 5.705 1.00 65.14 H new ATOM 0 HG3 LYS A 622 6.254 -29.198 4.350 1.00 65.14 H new ATOM 0 HD2 LYS A 622 6.298 -30.364 7.155 1.00 50.20 H new ATOM 0 HD3 LYS A 622 4.993 -30.684 6.029 1.00 50.20 H new ATOM 0 HE2 LYS A 622 6.729 -31.484 4.350 1.00 71.53 H new ATOM 0 HE3 LYS A 622 7.950 -31.302 5.594 1.00 71.53 H new ATOM 0 HZ1 LYS A 622 7.331 -33.536 5.675 1.00 31.33 H new ATOM 0 HZ2 LYS A 622 6.489 -32.847 6.978 1.00 31.33 H new ATOM 0 HZ3 LYS A 622 5.673 -33.200 5.532 1.00 31.33 H new ATOM 1470 N TRP A 623 9.296 -25.629 6.282 1.00 65.14 N ATOM 1471 CA TRP A 623 10.537 -25.004 6.743 1.00 23.43 C ATOM 1472 C TRP A 623 11.062 -25.801 7.898 1.00 64.14 C ATOM 1473 O TRP A 623 10.454 -25.787 8.969 1.00 0.22 O ATOM 1474 CB TRP A 623 10.271 -23.579 7.244 1.00 72.32 C ATOM 1475 CG TRP A 623 11.319 -22.601 6.849 1.00 71.12 C ATOM 1476 CD1 TRP A 623 12.481 -22.833 6.188 1.00 43.12 C ATOM 1477 CD2 TRP A 623 11.301 -21.193 7.107 1.00 43.14 C ATOM 1478 NE1 TRP A 623 13.171 -21.675 5.964 1.00 13.53 N ATOM 1479 CE2 TRP A 623 12.468 -20.635 6.505 1.00 11.12 C ATOM 1480 CE3 TRP A 623 10.428 -20.346 7.806 1.00 74.02 C ATOM 1481 CZ2 TRP A 623 12.748 -19.251 6.548 1.00 1.21 C ATOM 1482 CZ3 TRP A 623 10.718 -18.980 7.888 1.00 4.50 C ATOM 1483 CH2 TRP A 623 11.868 -18.432 7.236 1.00 30.33 C ATOM 0 H TRP A 623 8.442 -25.211 6.650 1.00 65.14 H new ATOM 0 HA TRP A 623 11.246 -24.973 5.916 1.00 23.43 H new ATOM 0 HB2 TRP A 623 9.308 -23.242 6.859 1.00 72.32 H new ATOM 0 HB3 TRP A 623 10.192 -23.594 8.331 1.00 72.32 H new ATOM 0 HD1 TRP A 623 12.818 -23.811 5.878 1.00 43.12 H new ATOM 0 HE1 TRP A 623 14.063 -21.599 5.474 1.00 13.53 H new ATOM 0 HE3 TRP A 623 9.541 -20.745 8.276 1.00 74.02 H new ATOM 0 HZ2 TRP A 623 13.621 -18.844 6.060 1.00 1.21 H new ATOM 0 HZ3 TRP A 623 10.065 -18.330 8.451 1.00 4.50 H new ATOM 0 HH2 TRP A 623 12.052 -17.369 7.281 1.00 30.33 H new ATOM 1494 N MET A 624 12.213 -26.449 7.741 1.00 12.14 N ATOM 1495 CA MET A 624 12.886 -26.809 8.955 1.00 41.11 C ATOM 1496 C MET A 624 14.294 -26.252 9.015 1.00 0.22 C ATOM 1497 O MET A 624 15.320 -26.916 9.132 1.00 23.03 O ATOM 1498 CB MET A 624 13.157 -28.251 8.760 1.00 44.44 C ATOM 1499 CG MET A 624 11.983 -29.159 8.413 1.00 32.42 C ATOM 1500 SD MET A 624 10.861 -29.495 9.762 1.00 63.12 S ATOM 1501 CE MET A 624 9.986 -30.879 9.033 1.00 70.40 C ATOM 0 H MET A 624 12.658 -26.711 6.862 1.00 12.14 H new ATOM 0 HA MET A 624 12.298 -26.484 9.813 1.00 41.11 H new ATOM 0 HB2 MET A 624 13.899 -28.347 7.967 1.00 44.44 H new ATOM 0 HB3 MET A 624 13.615 -28.631 9.673 1.00 44.44 H new ATOM 0 HG2 MET A 624 11.420 -28.704 7.598 1.00 32.42 H new ATOM 0 HG3 MET A 624 12.374 -30.106 8.041 1.00 32.42 H new ATOM 0 HE1 MET A 624 9.230 -31.239 9.730 1.00 70.40 H new ATOM 0 HE2 MET A 624 9.505 -30.559 8.109 1.00 70.40 H new ATOM 0 HE3 MET A 624 10.691 -31.682 8.816 1.00 70.40 H new ATOM 1511 N GLU A 625 14.177 -25.034 9.386 1.00 44.13 N ATOM 1512 CA GLU A 625 15.065 -24.147 10.043 1.00 41.21 C ATOM 1513 C GLU A 625 13.946 -23.311 10.692 1.00 35.33 C ATOM 1514 O GLU A 625 12.797 -23.433 10.246 1.00 50.22 O ATOM 1515 CB GLU A 625 15.949 -23.460 9.028 1.00 33.12 C ATOM 1516 CG GLU A 625 16.792 -22.353 9.608 1.00 54.42 C ATOM 1517 CD GLU A 625 18.009 -22.021 8.771 1.00 24.43 C ATOM 1518 OE1 GLU A 625 18.582 -22.929 8.139 1.00 12.31 O ATOM 1519 OE2 GLU A 625 18.347 -20.821 8.686 1.00 3.22 O ATOM 0 H GLU A 625 13.297 -24.553 9.201 1.00 44.13 H new ATOM 0 HA GLU A 625 15.818 -24.511 10.742 1.00 41.21 H new ATOM 0 HB2 GLU A 625 16.604 -24.201 8.569 1.00 33.12 H new ATOM 0 HB3 GLU A 625 15.325 -23.051 8.234 1.00 33.12 H new ATOM 0 HG2 GLU A 625 16.179 -21.458 9.715 1.00 54.42 H new ATOM 0 HG3 GLU A 625 17.116 -22.639 10.609 1.00 54.42 H new ATOM 1526 N ARG A 626 14.233 -22.483 11.687 1.00 12.20 N ATOM 1527 CA ARG A 626 13.262 -21.502 12.261 1.00 21.33 C ATOM 1528 C ARG A 626 12.235 -22.104 13.210 1.00 31.40 C ATOM 1529 O ARG A 626 12.077 -21.613 14.312 1.00 42.41 O ATOM 1530 CB ARG A 626 12.497 -20.640 11.190 1.00 74.54 C ATOM 1531 CG ARG A 626 13.252 -20.256 9.933 1.00 24.24 C ATOM 1532 CD ARG A 626 14.502 -19.449 10.201 1.00 54.42 C ATOM 1533 NE ARG A 626 15.143 -19.087 8.928 1.00 71.44 N ATOM 1534 CZ ARG A 626 16.356 -18.565 8.799 1.00 62.10 C ATOM 1535 NH1 ARG A 626 17.111 -18.284 9.833 1.00 62.10 N ATOM 1536 NH2 ARG A 626 16.816 -18.328 7.603 1.00 34.52 N ATOM 0 H ARG A 626 15.148 -22.456 12.137 1.00 12.20 H new ATOM 0 HA ARG A 626 13.923 -20.850 12.832 1.00 21.33 H new ATOM 0 HB2 ARG A 626 11.604 -21.189 10.892 1.00 74.54 H new ATOM 0 HB3 ARG A 626 12.161 -19.723 11.674 1.00 74.54 H new ATOM 0 HG2 ARG A 626 13.524 -21.162 9.391 1.00 24.24 H new ATOM 0 HG3 ARG A 626 12.591 -19.682 9.283 1.00 24.24 H new ATOM 0 HD2 ARG A 626 14.251 -18.548 10.762 1.00 54.42 H new ATOM 0 HD3 ARG A 626 15.193 -20.025 10.816 1.00 54.42 H new ATOM 0 HE ARG A 626 14.611 -19.251 8.073 1.00 71.44 H new ATOM 0 HH11 ARG A 626 16.771 -18.466 10.777 1.00 62.10 H new ATOM 0 HH12 ARG A 626 18.039 -17.883 9.693 1.00 62.10 H new ATOM 0 HH21 ARG A 626 16.246 -18.544 6.785 1.00 34.52 H new ATOM 0 HH22 ARG A 626 17.746 -17.927 7.485 1.00 34.52 H new ATOM 1916 N GLY A 650 7.472 -17.296 6.709 1.00 32.00 N ATOM 1917 CA GLY A 650 8.351 -17.706 5.621 1.00 31.34 C ATOM 1918 C GLY A 650 7.916 -18.923 4.826 1.00 2.04 C ATOM 1919 O GLY A 650 8.745 -19.527 4.165 1.00 51.01 O ATOM 0 HA2 GLY A 650 8.457 -16.868 4.932 1.00 31.34 H new ATOM 0 HA3 GLY A 650 9.339 -17.904 6.036 1.00 31.34 H new ATOM 1923 N LYS A 651 6.659 -19.330 4.942 1.00 44.33 N ATOM 1924 CA LYS A 651 6.200 -20.616 4.399 1.00 42.23 C ATOM 1925 C LYS A 651 6.418 -20.791 2.891 1.00 62.40 C ATOM 1926 O LYS A 651 5.861 -20.037 2.092 1.00 30.35 O ATOM 1927 CB LYS A 651 4.717 -20.805 4.700 1.00 1.01 C ATOM 1928 CG LYS A 651 4.421 -20.932 6.189 1.00 34.54 C ATOM 1929 CD LYS A 651 2.948 -21.240 6.470 1.00 54.41 C ATOM 1930 CE LYS A 651 2.046 -20.042 6.167 1.00 54.23 C ATOM 1931 NZ LYS A 651 0.628 -20.315 6.585 1.00 40.25 N ATOM 0 H LYS A 651 5.930 -18.790 5.409 1.00 44.33 H new ATOM 0 HA LYS A 651 6.813 -21.370 4.892 1.00 42.23 H new ATOM 0 HB2 LYS A 651 4.160 -19.960 4.296 1.00 1.01 H new ATOM 0 HB3 LYS A 651 4.359 -21.698 4.187 1.00 1.01 H new ATOM 0 HG2 LYS A 651 5.041 -21.722 6.613 1.00 34.54 H new ATOM 0 HG3 LYS A 651 4.697 -20.005 6.691 1.00 34.54 H new ATOM 0 HD2 LYS A 651 2.634 -22.092 5.867 1.00 54.41 H new ATOM 0 HD3 LYS A 651 2.830 -21.528 7.515 1.00 54.41 H new ATOM 0 HE2 LYS A 651 2.419 -19.160 6.688 1.00 54.23 H new ATOM 0 HE3 LYS A 651 2.078 -19.819 5.101 1.00 54.23 H new ATOM 0 HZ1 LYS A 651 0.037 -19.487 6.369 1.00 40.25 H new ATOM 0 HZ2 LYS A 651 0.267 -21.143 6.069 1.00 40.25 H new ATOM 0 HZ3 LYS A 651 0.598 -20.504 7.607 1.00 40.25 H new ATOM 1945 N PRO A 652 7.198 -21.811 2.484 1.00 53.02 N ATOM 1946 CA PRO A 652 7.339 -22.051 1.047 1.00 53.11 C ATOM 1947 C PRO A 652 6.068 -22.632 0.456 1.00 70.33 C ATOM 1948 O PRO A 652 5.218 -23.159 1.170 1.00 11.33 O ATOM 1949 CB PRO A 652 8.468 -23.077 0.978 1.00 13.52 C ATOM 1950 CG PRO A 652 8.356 -23.808 2.252 1.00 44.31 C ATOM 1951 CD PRO A 652 7.965 -22.799 3.266 1.00 32.54 C ATOM 0 HA PRO A 652 7.539 -21.138 0.486 1.00 53.11 H new ATOM 0 HB2 PRO A 652 8.352 -23.743 0.123 1.00 13.52 H new ATOM 0 HB3 PRO A 652 9.441 -22.596 0.877 1.00 13.52 H new ATOM 0 HG2 PRO A 652 7.612 -24.601 2.183 1.00 44.31 H new ATOM 0 HG3 PRO A 652 9.302 -24.281 2.516 1.00 44.31 H new ATOM 0 HD2 PRO A 652 7.362 -23.239 4.060 1.00 32.54 H new ATOM 0 HD3 PRO A 652 8.836 -22.347 3.741 1.00 32.54 H new ATOM 1959 N VAL A 653 5.964 -22.549 -0.859 1.00 60.21 N ATOM 1960 CA VAL A 653 4.808 -23.099 -1.590 1.00 20.12 C ATOM 1961 C VAL A 653 5.262 -23.830 -2.863 1.00 44.55 C ATOM 1962 O VAL A 653 6.435 -23.779 -3.235 1.00 54.53 O ATOM 1963 CB VAL A 653 3.745 -21.995 -1.949 1.00 53.20 C ATOM 1964 CG1 VAL A 653 3.182 -21.344 -0.671 1.00 51.20 C ATOM 1965 CG2 VAL A 653 4.329 -20.918 -2.855 1.00 63.45 C ATOM 0 H VAL A 653 6.663 -22.106 -1.455 1.00 60.21 H new ATOM 0 HA VAL A 653 4.326 -23.813 -0.922 1.00 20.12 H new ATOM 0 HB VAL A 653 2.939 -22.493 -2.488 1.00 53.20 H new ATOM 0 HG11 VAL A 653 2.449 -20.584 -0.942 1.00 51.20 H new ATOM 0 HG12 VAL A 653 2.704 -22.106 -0.055 1.00 51.20 H new ATOM 0 HG13 VAL A 653 3.994 -20.881 -0.110 1.00 51.20 H new ATOM 0 HG21 VAL A 653 3.563 -20.176 -3.079 1.00 63.45 H new ATOM 0 HG22 VAL A 653 5.167 -20.435 -2.352 1.00 63.45 H new ATOM 0 HG23 VAL A 653 4.676 -21.372 -3.783 1.00 63.45 H new ATOM 1975 N LEU A 654 4.339 -24.534 -3.503 1.00 30.44 N ATOM 1976 CA LEU A 654 4.631 -25.292 -4.722 1.00 25.11 C ATOM 1977 C LEU A 654 4.641 -24.358 -5.931 1.00 4.41 C ATOM 1978 O LEU A 654 4.029 -23.293 -5.904 1.00 35.32 O ATOM 1979 CB LEU A 654 3.569 -26.392 -4.950 1.00 44.22 C ATOM 1980 CG LEU A 654 3.487 -27.605 -3.997 1.00 34.45 C ATOM 1981 CD1 LEU A 654 4.843 -28.292 -3.866 1.00 0.10 C ATOM 1982 CD2 LEU A 654 2.916 -27.259 -2.622 1.00 22.41 C ATOM 0 H LEU A 654 3.368 -24.599 -3.197 1.00 30.44 H new ATOM 0 HA LEU A 654 5.610 -25.756 -4.603 1.00 25.11 H new ATOM 0 HB2 LEU A 654 2.593 -25.906 -4.939 1.00 44.22 H new ATOM 0 HB3 LEU A 654 3.719 -26.782 -5.957 1.00 44.22 H new ATOM 0 HG LEU A 654 2.783 -28.301 -4.454 1.00 34.45 H new ATOM 0 HD11 LEU A 654 4.756 -29.142 -3.189 1.00 0.10 H new ATOM 0 HD12 LEU A 654 5.171 -28.640 -4.846 1.00 0.10 H new ATOM 0 HD13 LEU A 654 5.572 -27.585 -3.469 1.00 0.10 H new ATOM 0 HD21 LEU A 654 2.887 -28.156 -2.004 1.00 22.41 H new ATOM 0 HD22 LEU A 654 3.547 -26.510 -2.144 1.00 22.41 H new ATOM 0 HD23 LEU A 654 1.907 -26.864 -2.736 1.00 22.41 H new ATOM 1994 N GLY A 655 5.351 -24.762 -6.977 1.00 33.13 N ATOM 1995 CA GLY A 655 5.457 -23.970 -8.195 1.00 55.34 C ATOM 1996 C GLY A 655 4.479 -24.309 -9.289 1.00 20.31 C ATOM 1997 O GLY A 655 3.427 -24.893 -9.065 1.00 44.21 O ATOM 0 H GLY A 655 5.866 -25.642 -7.005 1.00 33.13 H new ATOM 0 HA2 GLY A 655 5.330 -22.919 -7.934 1.00 55.34 H new ATOM 0 HA3 GLY A 655 6.467 -24.081 -8.590 1.00 55.34 H new ATOM 2001 N GLU A 656 4.858 -23.923 -10.496 1.00 63.22 N ATOM 2002 CA GLU A 656 4.038 -24.116 -11.685 1.00 51.03 C ATOM 2003 C GLU A 656 4.198 -25.534 -12.229 1.00 52.20 C ATOM 2004 O GLU A 656 3.274 -26.092 -12.807 1.00 55.35 O ATOM 2005 CB GLU A 656 4.453 -23.112 -12.769 1.00 71.05 C ATOM 2006 CG GLU A 656 4.588 -21.659 -12.282 1.00 14.22 C ATOM 2007 CD GLU A 656 5.943 -21.361 -11.608 1.00 71.32 C ATOM 2008 OE1 GLU A 656 6.820 -22.263 -11.566 1.00 4.34 O ATOM 2009 OE2 GLU A 656 6.111 -20.243 -11.083 1.00 51.11 O ATOM 0 H GLU A 656 5.749 -23.463 -10.682 1.00 63.22 H new ATOM 0 HA GLU A 656 2.995 -23.958 -11.411 1.00 51.03 H new ATOM 0 HB2 GLU A 656 5.406 -23.429 -13.193 1.00 71.05 H new ATOM 0 HB3 GLU A 656 3.720 -23.144 -13.575 1.00 71.05 H new ATOM 0 HG2 GLU A 656 4.457 -20.986 -13.129 1.00 14.22 H new ATOM 0 HG3 GLU A 656 3.785 -21.444 -11.577 1.00 14.22 H new ATOM 2016 N HIS A 657 5.377 -26.116 -12.028 1.00 34.35 N ATOM 2017 CA HIS A 657 5.650 -27.496 -12.468 1.00 61.51 C ATOM 2018 C HIS A 657 6.259 -28.363 -11.356 1.00 0.44 C ATOM 2019 O HIS A 657 7.353 -28.873 -11.509 1.00 52.11 O ATOM 2020 CB HIS A 657 6.620 -27.493 -13.668 1.00 64.53 C ATOM 2021 CG HIS A 657 6.264 -26.505 -14.737 1.00 4.24 C ATOM 2022 ND1 HIS A 657 5.618 -26.844 -15.928 1.00 44.34 N ATOM 2023 CD2 HIS A 657 6.473 -25.166 -14.828 1.00 5.12 C ATOM 2024 CE1 HIS A 657 5.465 -25.748 -16.656 1.00 75.23 C ATOM 2025 NE2 HIS A 657 5.967 -24.730 -16.012 1.00 11.23 N ATOM 0 H HIS A 657 6.163 -25.660 -11.564 1.00 34.35 H new ATOM 0 HA HIS A 657 4.688 -27.924 -12.748 1.00 61.51 H new ATOM 0 HB2 HIS A 657 7.626 -27.277 -13.308 1.00 64.53 H new ATOM 0 HB3 HIS A 657 6.645 -28.492 -14.104 1.00 64.53 H new ATOM 0 HD1 HIS A 657 5.314 -27.781 -16.193 1.00 44.34 H new ATOM 0 HD2 HIS A 657 6.959 -24.551 -14.085 1.00 5.12 H new ATOM 0 HE1 HIS A 657 4.998 -25.704 -17.629 1.00 75.23 H new ATOM 2033 N PRO A 658 5.558 -28.551 -10.223 1.00 70.21 N ATOM 2034 CA PRO A 658 6.088 -29.383 -9.128 1.00 74.34 C ATOM 2035 C PRO A 658 5.934 -30.887 -9.394 1.00 52.34 C ATOM 2036 O PRO A 658 5.752 -31.686 -8.470 1.00 2.22 O ATOM 2037 CB PRO A 658 5.220 -28.949 -7.950 1.00 71.34 C ATOM 2038 CG PRO A 658 3.910 -28.686 -8.577 1.00 62.14 C ATOM 2039 CD PRO A 658 4.239 -28.004 -9.865 1.00 31.02 C ATOM 0 HA PRO A 658 7.159 -29.247 -8.978 1.00 74.34 H new ATOM 0 HB2 PRO A 658 5.154 -29.727 -7.190 1.00 71.34 H new ATOM 0 HB3 PRO A 658 5.619 -28.060 -7.462 1.00 71.34 H new ATOM 0 HG2 PRO A 658 3.359 -29.611 -8.748 1.00 62.14 H new ATOM 0 HG3 PRO A 658 3.286 -28.056 -7.943 1.00 62.14 H new ATOM 0 HD2 PRO A 658 3.495 -28.218 -10.633 1.00 31.02 H new ATOM 0 HD3 PRO A 658 4.273 -26.921 -9.747 1.00 31.02 H new ATOM 2047 N LYS A 659 5.920 -31.242 -10.669 1.00 32.20 N ATOM 2048 CA LYS A 659 5.663 -32.593 -11.112 1.00 34.41 C ATOM 2049 C LYS A 659 6.296 -32.805 -12.471 1.00 1.21 C ATOM 2050 O LYS A 659 6.408 -31.862 -13.244 1.00 33.24 O ATOM 2051 CB LYS A 659 4.157 -32.746 -11.259 1.00 23.34 C ATOM 2052 CG LYS A 659 3.683 -34.168 -11.493 1.00 3.21 C ATOM 2053 CD LYS A 659 2.611 -34.535 -10.507 1.00 41.10 C ATOM 2054 CE LYS A 659 1.278 -33.983 -10.914 1.00 22.43 C ATOM 2055 NZ LYS A 659 0.182 -34.390 -9.973 1.00 32.05 N ATOM 0 H LYS A 659 6.090 -30.587 -11.432 1.00 32.20 H new ATOM 0 HA LYS A 659 6.071 -33.311 -10.401 1.00 34.41 H new ATOM 0 HB2 LYS A 659 3.677 -32.361 -10.359 1.00 23.34 H new ATOM 0 HB3 LYS A 659 3.822 -32.125 -12.090 1.00 23.34 H new ATOM 0 HG2 LYS A 659 3.300 -34.267 -12.509 1.00 3.21 H new ATOM 0 HG3 LYS A 659 4.522 -34.857 -11.400 1.00 3.21 H new ATOM 0 HD2 LYS A 659 2.547 -35.620 -10.425 1.00 41.10 H new ATOM 0 HD3 LYS A 659 2.877 -34.156 -9.520 1.00 41.10 H new ATOM 0 HE2 LYS A 659 1.334 -32.895 -10.954 1.00 22.43 H new ATOM 0 HE3 LYS A 659 1.037 -34.327 -11.920 1.00 22.43 H new ATOM 0 HZ1 LYS A 659 -0.720 -33.985 -10.295 1.00 32.05 H new ATOM 0 HZ2 LYS A 659 0.109 -35.427 -9.953 1.00 32.05 H new ATOM 0 HZ3 LYS A 659 0.397 -34.040 -9.018 1.00 32.05 H new ATOM 2069 N LEU A 660 6.651 -34.047 -12.762 1.00 12.32 N ATOM 2070 CA LEU A 660 7.185 -34.438 -14.060 1.00 71.24 C ATOM 2071 C LEU A 660 6.445 -35.692 -14.495 1.00 44.04 C ATOM 2072 O LEU A 660 6.437 -36.667 -13.756 1.00 43.15 O ATOM 2073 CB LEU A 660 8.689 -34.726 -13.941 1.00 13.12 C ATOM 2074 CG LEU A 660 9.366 -35.333 -15.173 1.00 51.44 C ATOM 2075 CD1 LEU A 660 9.069 -34.523 -16.405 1.00 30.20 C ATOM 2076 CD2 LEU A 660 10.868 -35.433 -14.961 1.00 41.34 C ATOM 0 H LEU A 660 6.576 -34.819 -12.100 1.00 12.32 H new ATOM 0 HA LEU A 660 7.050 -33.641 -14.791 1.00 71.24 H new ATOM 0 HB2 LEU A 660 9.197 -33.793 -13.697 1.00 13.12 H new ATOM 0 HB3 LEU A 660 8.842 -35.402 -13.100 1.00 13.12 H new ATOM 0 HG LEU A 660 8.964 -36.336 -15.317 1.00 51.44 H new ATOM 0 HD11 LEU A 660 9.562 -34.976 -17.266 1.00 30.20 H new ATOM 0 HD12 LEU A 660 7.992 -34.499 -16.574 1.00 30.20 H new ATOM 0 HD13 LEU A 660 9.437 -33.506 -16.269 1.00 30.20 H new ATOM 0 HD21 LEU A 660 11.332 -35.867 -15.847 1.00 41.34 H new ATOM 0 HD22 LEU A 660 11.278 -34.438 -14.787 1.00 41.34 H new ATOM 0 HD23 LEU A 660 11.072 -36.066 -14.098 1.00 41.34 H new ATOM 2088 N GLU A 661 5.811 -35.652 -15.660 1.00 43.50 N ATOM 2089 CA GLU A 661 5.105 -36.809 -16.215 1.00 13.51 C ATOM 2090 C GLU A 661 6.067 -37.658 -17.026 1.00 3.22 C ATOM 2091 O GLU A 661 6.718 -37.160 -17.931 1.00 11.20 O ATOM 2092 CB GLU A 661 3.965 -36.343 -17.116 1.00 41.41 C ATOM 2093 CG GLU A 661 3.234 -37.477 -17.772 1.00 35.42 C ATOM 2094 CD GLU A 661 1.844 -37.069 -18.222 1.00 3.25 C ATOM 2095 OE1 GLU A 661 1.726 -36.159 -19.068 1.00 11.15 O ATOM 2096 OE2 GLU A 661 0.866 -37.636 -17.692 1.00 33.41 O ATOM 0 H GLU A 661 5.769 -34.820 -16.249 1.00 43.50 H new ATOM 0 HA GLU A 661 4.699 -37.399 -15.394 1.00 13.51 H new ATOM 0 HB2 GLU A 661 3.260 -35.756 -16.527 1.00 41.41 H new ATOM 0 HB3 GLU A 661 4.364 -35.682 -17.885 1.00 41.41 H new ATOM 0 HG2 GLU A 661 3.805 -37.828 -18.631 1.00 35.42 H new ATOM 0 HG3 GLU A 661 3.160 -38.312 -17.076 1.00 35.42 H new ATOM 2103 N VAL A 662 6.160 -38.928 -16.679 1.00 33.23 N ATOM 2104 CA VAL A 662 7.089 -39.876 -17.285 1.00 3.44 C ATOM 2105 C VAL A 662 6.275 -40.959 -17.942 1.00 14.43 C ATOM 2106 O VAL A 662 5.321 -41.491 -17.373 1.00 32.42 O ATOM 2107 CB VAL A 662 7.994 -40.535 -16.205 1.00 71.22 C ATOM 2108 CG1 VAL A 662 9.227 -41.203 -16.752 1.00 31.34 C ATOM 2109 CG2 VAL A 662 8.213 -39.640 -14.972 1.00 5.33 C ATOM 0 H VAL A 662 5.579 -39.344 -15.951 1.00 33.23 H new ATOM 0 HA VAL A 662 7.722 -39.352 -18.001 1.00 3.44 H new ATOM 0 HB VAL A 662 7.423 -41.379 -15.819 1.00 71.22 H new ATOM 0 HG11 VAL A 662 9.800 -41.636 -15.932 1.00 31.34 H new ATOM 0 HG12 VAL A 662 8.936 -41.991 -17.447 1.00 31.34 H new ATOM 0 HG13 VAL A 662 9.839 -40.467 -17.273 1.00 31.34 H new ATOM 0 HG21 VAL A 662 8.852 -40.157 -14.256 1.00 5.33 H new ATOM 0 HG22 VAL A 662 8.690 -38.709 -15.278 1.00 5.33 H new ATOM 0 HG23 VAL A 662 7.252 -39.420 -14.507 1.00 5.33 H new ATOM 2119 N ILE A 663 6.678 -41.279 -19.151 1.00 11.13 N ATOM 2120 CA ILE A 663 6.091 -42.357 -19.907 1.00 10.21 C ATOM 2121 C ILE A 663 7.183 -43.402 -19.928 1.00 31.34 C ATOM 2122 O ILE A 663 8.348 -43.071 -20.180 1.00 33.14 O ATOM 2123 CB ILE A 663 5.750 -41.900 -21.345 1.00 31.34 C ATOM 2124 CG1 ILE A 663 4.634 -40.827 -21.328 1.00 4.11 C ATOM 2125 CG2 ILE A 663 5.372 -43.104 -22.205 1.00 42.14 C ATOM 2126 CD1 ILE A 663 3.195 -41.383 -21.365 1.00 11.25 C ATOM 0 H ILE A 663 7.430 -40.792 -19.640 1.00 11.13 H new ATOM 0 HA ILE A 663 5.157 -42.718 -19.477 1.00 10.21 H new ATOM 0 HB ILE A 663 6.632 -41.439 -21.790 1.00 31.34 H new ATOM 0 HG12 ILE A 663 4.749 -40.218 -20.431 1.00 4.11 H new ATOM 0 HG13 ILE A 663 4.774 -40.165 -22.183 1.00 4.11 H new ATOM 0 HG21 ILE A 663 5.134 -42.770 -23.215 1.00 42.14 H new ATOM 0 HG22 ILE A 663 6.208 -43.802 -22.242 1.00 42.14 H new ATOM 0 HG23 ILE A 663 4.503 -43.601 -21.773 1.00 42.14 H new ATOM 0 HD11 ILE A 663 2.485 -40.556 -21.350 1.00 11.25 H new ATOM 0 HD12 ILE A 663 3.054 -41.966 -22.275 1.00 11.25 H new ATOM 0 HD13 ILE A 663 3.029 -42.020 -20.496 1.00 11.25 H new ATOM 2138 N ILE A 664 6.831 -44.640 -19.640 1.00 13.01 N ATOM 2139 CA ILE A 664 7.779 -45.743 -19.687 1.00 3.14 C ATOM 2140 C ILE A 664 7.604 -46.355 -21.078 1.00 1.23 C ATOM 2141 O ILE A 664 6.693 -47.140 -21.320 1.00 30.50 O ATOM 2142 CB ILE A 664 7.536 -46.760 -18.533 1.00 71.43 C ATOM 2143 CG1 ILE A 664 7.689 -46.030 -17.175 1.00 52.41 C ATOM 2144 CG2 ILE A 664 8.546 -47.937 -18.625 1.00 22.42 C ATOM 2145 CD1 ILE A 664 7.163 -46.785 -15.957 1.00 55.23 C ATOM 0 H ILE A 664 5.886 -44.912 -19.368 1.00 13.01 H new ATOM 0 HA ILE A 664 8.807 -45.414 -19.535 1.00 3.14 H new ATOM 0 HB ILE A 664 6.529 -47.168 -18.618 1.00 71.43 H new ATOM 0 HG12 ILE A 664 8.745 -45.812 -17.017 1.00 52.41 H new ATOM 0 HG13 ILE A 664 7.172 -45.072 -17.237 1.00 52.41 H new ATOM 0 HG21 ILE A 664 8.362 -48.639 -17.811 1.00 22.42 H new ATOM 0 HG22 ILE A 664 8.423 -48.448 -19.580 1.00 22.42 H new ATOM 0 HG23 ILE A 664 9.562 -47.551 -18.549 1.00 22.42 H new ATOM 0 HD11 ILE A 664 7.320 -46.184 -15.061 1.00 55.23 H new ATOM 0 HD12 ILE A 664 6.098 -46.979 -16.082 1.00 55.23 H new ATOM 0 HD13 ILE A 664 7.695 -47.731 -15.858 1.00 55.23 H new