USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 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 Set 1.1: A 555 THR OG1 : rot 180:sc= 0.00818 USER MOD Set 1.2: A 556 SER OG : rot 180:sc= 0.136 USER MOD Single : A 533 THR OG1 : rot -179:sc= 0.19 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.149 USER MOD Single : A 538 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 540 HIS : no HD1:sc= -0.688 X(o=-0.69,f=-0.33) USER MOD Single : A 542 SER OG : rot 48:sc= 1.25 USER MOD Single : A 544 SER OG : rot 55:sc= 0.92 USER MOD Single : A 548 MET CE :methyl 152:sc= -0.504 (180deg=-2.56) USER MOD Single : A 551 LYS NZ :NH3+ 169:sc= 0.288 (180deg=-0.166) USER MOD Single : A 561 THR OG1 : rot 68:sc= 1.12 USER MOD Single : A 568 THR OG1 : rot 55:sc= 0.625 USER MOD Single : A 572 THR OG1 : rot -106:sc= 0.801 USER MOD Single : A 574 LYS NZ :NH3+ -160:sc= -0.842 (180deg=-1.66) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 164:sc= 0.407 (180deg=-0.355) USER MOD Single : A 591 ASN :FLIP amide:sc= -0.0291 F(o=-1.9!,f=-0.029) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -174:sc= 0.43 (180deg=0.409) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -136:sc= -0.653 (180deg=-1.59!) USER MOD Single : A 613 ASN : amide:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 622 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.08) 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= 0.455 K(o=0.45,f=-3.8!) USER MOD Single : A 659 LYS NZ :NH3+ 173:sc=-0.00703 (180deg=-0.094) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.998 -18.622 2.443 1.00 31.24 N ATOM 19 CA ALA A 529 11.476 -19.809 1.759 1.00 50.42 C ATOM 20 C ALA A 529 10.934 -19.798 0.317 1.00 34.42 C ATOM 21 O ALA A 529 9.880 -19.234 0.049 1.00 75.42 O ATOM 22 CB ALA A 529 11.009 -21.018 2.496 1.00 43.02 C ATOM 0 HA ALA A 529 12.565 -19.825 1.726 1.00 50.42 H new ATOM 0 HB1 ALA A 529 11.365 -21.914 1.987 1.00 43.02 H new ATOM 0 HB2 ALA A 529 11.401 -20.998 3.513 1.00 43.02 H new ATOM 0 HB3 ALA A 529 9.919 -21.027 2.527 1.00 43.02 H new ATOM 28 N GLY A 530 11.683 -20.386 -0.608 1.00 3.44 N ATOM 29 CA GLY A 530 11.342 -20.286 -2.017 1.00 63.51 C ATOM 30 C GLY A 530 10.405 -21.318 -2.615 1.00 42.32 C ATOM 31 O GLY A 530 10.032 -22.297 -1.984 1.00 75.44 O ATOM 0 H GLY A 530 12.522 -20.931 -0.409 1.00 3.44 H new ATOM 0 HA2 GLY A 530 10.899 -19.303 -2.181 1.00 63.51 H new ATOM 0 HA3 GLY A 530 12.272 -20.315 -2.585 1.00 63.51 H new ATOM 35 N ILE A 531 10.074 -21.074 -3.877 1.00 63.35 N ATOM 36 CA ILE A 531 9.251 -21.959 -4.705 1.00 53.14 C ATOM 37 C ILE A 531 10.034 -23.239 -4.995 1.00 31.03 C ATOM 38 O ILE A 531 11.240 -23.166 -5.224 1.00 72.21 O ATOM 39 CB ILE A 531 8.893 -21.225 -6.069 1.00 11.12 C ATOM 40 CG1 ILE A 531 7.521 -20.536 -5.964 1.00 34.33 C ATOM 41 CG2 ILE A 531 8.894 -22.179 -7.283 1.00 31.31 C ATOM 42 CD1 ILE A 531 7.509 -19.264 -5.096 1.00 63.41 C ATOM 0 H ILE A 531 10.377 -20.234 -4.370 1.00 63.35 H new ATOM 0 HA ILE A 531 8.328 -22.207 -4.181 1.00 53.14 H new ATOM 0 HB ILE A 531 9.675 -20.483 -6.233 1.00 11.12 H new ATOM 0 HG12 ILE A 531 7.180 -20.279 -6.967 1.00 34.33 H new ATOM 0 HG13 ILE A 531 6.802 -21.246 -5.555 1.00 34.33 H new ATOM 0 HG21 ILE A 531 8.643 -21.621 -8.185 1.00 31.31 H new ATOM 0 HG22 ILE A 531 9.883 -22.624 -7.395 1.00 31.31 H new ATOM 0 HG23 ILE A 531 8.157 -22.967 -7.127 1.00 31.31 H new ATOM 0 HD11 ILE A 531 6.503 -18.845 -5.078 1.00 63.41 H new ATOM 0 HD12 ILE A 531 7.816 -19.514 -4.080 1.00 63.41 H new ATOM 0 HD13 ILE A 531 8.200 -18.532 -5.514 1.00 63.41 H new ATOM 54 N PHE A 532 9.346 -24.379 -5.031 1.00 64.33 N ATOM 55 CA PHE A 532 9.950 -25.659 -5.441 1.00 25.24 C ATOM 56 C PHE A 532 9.249 -26.195 -6.670 1.00 33.12 C ATOM 57 O PHE A 532 8.022 -26.248 -6.717 1.00 63.44 O ATOM 58 CB PHE A 532 9.839 -26.686 -4.333 1.00 2.21 C ATOM 59 CG PHE A 532 10.676 -26.359 -3.153 1.00 55.34 C ATOM 60 CD1 PHE A 532 10.195 -25.510 -2.143 1.00 0.12 C ATOM 61 CD2 PHE A 532 11.977 -26.871 -3.059 1.00 1.33 C ATOM 62 CE1 PHE A 532 11.011 -25.173 -1.051 1.00 64.13 C ATOM 63 CE2 PHE A 532 12.788 -26.546 -1.970 1.00 54.10 C ATOM 64 CZ PHE A 532 12.310 -25.697 -0.964 1.00 32.15 C ATOM 0 H PHE A 532 8.360 -24.448 -4.780 1.00 64.33 H new ATOM 0 HA PHE A 532 11.002 -25.477 -5.660 1.00 25.24 H new ATOM 0 HB2 PHE A 532 8.797 -26.765 -4.022 1.00 2.21 H new ATOM 0 HB3 PHE A 532 10.131 -27.662 -4.720 1.00 2.21 H new ATOM 0 HD1 PHE A 532 9.192 -25.114 -2.206 1.00 0.12 H new ATOM 0 HD2 PHE A 532 12.355 -27.521 -3.834 1.00 1.33 H new ATOM 0 HE1 PHE A 532 10.640 -24.513 -0.281 1.00 64.13 H new ATOM 0 HE2 PHE A 532 13.787 -26.951 -1.903 1.00 54.10 H new ATOM 0 HZ PHE A 532 12.940 -25.446 -0.123 1.00 32.15 H new ATOM 74 N THR A 533 10.021 -26.555 -7.678 1.00 34.32 N ATOM 75 CA THR A 533 9.465 -26.932 -8.971 1.00 3.14 C ATOM 76 C THR A 533 10.470 -27.836 -9.678 1.00 3.43 C ATOM 77 O THR A 533 11.619 -27.905 -9.265 1.00 1.51 O ATOM 78 CB THR A 533 9.185 -25.641 -9.792 1.00 43.44 C ATOM 79 OG1 THR A 533 8.516 -25.962 -11.011 1.00 71.23 O ATOM 80 CG2 THR A 533 10.459 -24.894 -10.109 1.00 60.32 C ATOM 0 H THR A 533 11.039 -26.595 -7.629 1.00 34.32 H new ATOM 0 HA THR A 533 8.526 -27.474 -8.858 1.00 3.14 H new ATOM 0 HB THR A 533 8.551 -25.000 -9.179 1.00 43.44 H new ATOM 0 HG1 THR A 533 8.359 -25.142 -11.524 1.00 71.23 H new ATOM 0 HG21 THR A 533 10.222 -23.998 -10.683 1.00 60.32 H new ATOM 0 HG22 THR A 533 10.955 -24.609 -9.181 1.00 60.32 H new ATOM 0 HG23 THR A 533 11.121 -25.534 -10.692 1.00 60.32 H new ATOM 88 N PHE A 534 10.047 -28.530 -10.720 1.00 51.33 N ATOM 89 CA PHE A 534 10.931 -29.394 -11.494 1.00 33.50 C ATOM 90 C PHE A 534 11.313 -28.696 -12.781 1.00 52.42 C ATOM 91 O PHE A 534 10.744 -27.664 -13.146 1.00 32.35 O ATOM 92 CB PHE A 534 10.255 -30.723 -11.854 1.00 33.15 C ATOM 93 CG PHE A 534 9.935 -31.609 -10.677 1.00 4.52 C ATOM 94 CD1 PHE A 534 10.420 -31.368 -9.380 1.00 1.52 C ATOM 95 CD2 PHE A 534 9.134 -32.717 -10.895 1.00 73.11 C ATOM 96 CE1 PHE A 534 10.051 -32.230 -8.307 1.00 10.52 C ATOM 97 CE2 PHE A 534 8.759 -33.582 -9.851 1.00 24.21 C ATOM 98 CZ PHE A 534 9.203 -33.341 -8.557 1.00 0.40 C ATOM 0 H PHE A 534 9.084 -28.513 -11.056 1.00 51.33 H new ATOM 0 HA PHE A 534 11.809 -29.601 -10.881 1.00 33.50 H new ATOM 0 HB2 PHE A 534 9.331 -30.510 -12.392 1.00 33.15 H new ATOM 0 HB3 PHE A 534 10.904 -31.271 -12.537 1.00 33.15 H new ATOM 0 HD1 PHE A 534 11.074 -30.528 -9.196 1.00 1.52 H new ATOM 0 HD2 PHE A 534 8.787 -32.923 -11.897 1.00 73.11 H new ATOM 0 HE1 PHE A 534 10.415 -32.039 -7.308 1.00 10.52 H new ATOM 0 HE2 PHE A 534 8.126 -34.433 -10.055 1.00 24.21 H new ATOM 0 HZ PHE A 534 8.906 -33.993 -7.749 1.00 0.40 H new ATOM 108 N GLU A 535 12.294 -29.276 -13.449 1.00 34.44 N ATOM 109 CA GLU A 535 12.835 -28.760 -14.702 1.00 12.03 C ATOM 110 C GLU A 535 11.887 -28.898 -15.882 1.00 73.15 C ATOM 111 O GLU A 535 11.835 -28.043 -16.762 1.00 51.30 O ATOM 112 CB GLU A 535 14.092 -29.561 -15.008 1.00 43.25 C ATOM 113 CG GLU A 535 15.330 -28.974 -14.364 1.00 41.35 C ATOM 114 CD GLU A 535 16.616 -29.647 -14.813 1.00 61.45 C ATOM 115 OE1 GLU A 535 16.566 -30.804 -15.280 1.00 22.41 O ATOM 116 OE2 GLU A 535 17.702 -29.080 -14.565 1.00 72.13 O ATOM 0 H GLU A 535 12.747 -30.134 -13.134 1.00 34.44 H new ATOM 0 HA GLU A 535 13.020 -27.694 -14.572 1.00 12.03 H new ATOM 0 HB2 GLU A 535 13.958 -30.586 -14.661 1.00 43.25 H new ATOM 0 HB3 GLU A 535 14.236 -29.606 -16.088 1.00 43.25 H new ATOM 0 HG2 GLU A 535 15.384 -27.911 -14.598 1.00 41.35 H new ATOM 0 HG3 GLU A 535 15.243 -29.058 -13.281 1.00 41.35 H new ATOM 123 N CYS A 536 11.171 -30.008 -15.916 1.00 2.32 N ATOM 124 CA CYS A 536 10.278 -30.331 -17.022 1.00 21.21 C ATOM 125 C CYS A 536 8.990 -30.894 -16.453 1.00 32.32 C ATOM 126 O CYS A 536 8.945 -31.247 -15.280 1.00 21.33 O ATOM 127 CB CYS A 536 10.941 -31.374 -17.931 1.00 73.24 C ATOM 128 SG CYS A 536 12.548 -30.839 -18.573 1.00 73.35 S ATOM 0 H CYS A 536 11.190 -30.713 -15.179 1.00 2.32 H new ATOM 0 HA CYS A 536 10.067 -29.435 -17.606 1.00 21.21 H new ATOM 0 HB2 CYS A 536 11.070 -32.303 -17.375 1.00 73.24 H new ATOM 0 HB3 CYS A 536 10.277 -31.593 -18.767 1.00 73.24 H new ATOM 0 HG CYS A 536 13.046 -31.772 -19.329 1.00 73.35 H new ATOM 134 N ASP A 537 7.970 -31.014 -17.296 1.00 14.33 N ATOM 135 CA ASP A 537 6.689 -31.612 -16.893 1.00 3.12 C ATOM 136 C ASP A 537 6.399 -32.878 -17.711 1.00 50.51 C ATOM 137 O ASP A 537 5.394 -33.531 -17.499 1.00 64.53 O ATOM 138 CB ASP A 537 5.551 -30.602 -17.092 1.00 43.31 C ATOM 139 CG ASP A 537 4.656 -30.460 -15.859 1.00 35.43 C ATOM 140 OD1 ASP A 537 4.174 -31.469 -15.288 1.00 74.01 O ATOM 141 OD2 ASP A 537 4.408 -29.287 -15.479 1.00 72.21 O ATOM 0 H ASP A 537 8.000 -30.706 -18.268 1.00 14.33 H new ATOM 0 HA ASP A 537 6.756 -31.882 -15.839 1.00 3.12 H new ATOM 0 HB2 ASP A 537 5.975 -29.629 -17.340 1.00 43.31 H new ATOM 0 HB3 ASP A 537 4.943 -30.911 -17.942 1.00 43.31 H new ATOM 146 N THR A 538 7.289 -33.230 -18.640 1.00 41.54 N ATOM 147 CA THR A 538 7.128 -34.410 -19.482 1.00 51.04 C ATOM 148 C THR A 538 8.510 -35.023 -19.753 1.00 1.41 C ATOM 149 O THR A 538 9.461 -34.312 -20.078 1.00 62.33 O ATOM 150 CB THR A 538 6.461 -34.045 -20.826 1.00 13.32 C ATOM 151 OG1 THR A 538 5.340 -33.190 -20.574 1.00 41.21 O ATOM 152 CG2 THR A 538 5.959 -35.285 -21.552 1.00 24.21 C ATOM 0 H THR A 538 8.142 -32.703 -18.828 1.00 41.54 H new ATOM 0 HA THR A 538 6.489 -35.124 -18.963 1.00 51.04 H new ATOM 0 HB THR A 538 7.205 -33.548 -21.449 1.00 13.32 H new ATOM 0 HG1 THR A 538 4.912 -32.953 -21.423 1.00 41.21 H new ATOM 0 HG21 THR A 538 5.495 -34.992 -22.494 1.00 24.21 H new ATOM 0 HG22 THR A 538 6.796 -35.953 -21.752 1.00 24.21 H new ATOM 0 HG23 THR A 538 5.225 -35.799 -20.930 1.00 24.21 H new ATOM 160 N ILE A 539 8.605 -36.329 -19.570 1.00 62.52 N ATOM 161 CA ILE A 539 9.833 -37.118 -19.754 1.00 21.42 C ATOM 162 C ILE A 539 9.449 -38.528 -20.249 1.00 65.41 C ATOM 163 O ILE A 539 8.315 -38.961 -20.082 1.00 1.44 O ATOM 164 CB ILE A 539 10.637 -37.203 -18.390 1.00 25.33 C ATOM 165 CG1 ILE A 539 12.063 -37.742 -18.602 1.00 75.52 C ATOM 166 CG2 ILE A 539 9.846 -38.009 -17.295 1.00 62.20 C ATOM 167 CD1 ILE A 539 12.316 -39.124 -18.005 1.00 35.42 C ATOM 0 H ILE A 539 7.809 -36.897 -19.280 1.00 62.52 H new ATOM 0 HA ILE A 539 10.474 -36.638 -20.493 1.00 21.42 H new ATOM 0 HB ILE A 539 10.742 -36.187 -18.011 1.00 25.33 H new ATOM 0 HG12 ILE A 539 12.267 -37.780 -19.672 1.00 75.52 H new ATOM 0 HG13 ILE A 539 12.772 -37.038 -18.167 1.00 75.52 H new ATOM 0 HG21 ILE A 539 10.431 -38.044 -16.376 1.00 62.20 H new ATOM 0 HG22 ILE A 539 8.892 -37.518 -17.100 1.00 62.20 H new ATOM 0 HG23 ILE A 539 9.666 -39.024 -17.649 1.00 62.20 H new ATOM 0 HD11 ILE A 539 13.345 -39.423 -18.203 1.00 35.42 H new ATOM 0 HD12 ILE A 539 12.148 -39.092 -16.929 1.00 35.42 H new ATOM 0 HD13 ILE A 539 11.636 -39.846 -18.457 1.00 35.42 H new ATOM 179 N HIS A 540 10.396 -39.245 -20.841 1.00 31.51 N ATOM 180 CA HIS A 540 10.220 -40.660 -21.178 1.00 22.44 C ATOM 181 C HIS A 540 11.407 -41.409 -20.579 1.00 44.21 C ATOM 182 O HIS A 540 12.544 -40.986 -20.782 1.00 4.43 O ATOM 183 CB HIS A 540 10.235 -40.887 -22.696 1.00 20.25 C ATOM 184 CG HIS A 540 8.897 -40.740 -23.350 1.00 21.23 C ATOM 185 ND1 HIS A 540 8.428 -41.620 -24.327 1.00 43.32 N ATOM 186 CD2 HIS A 540 7.896 -39.833 -23.196 1.00 75.32 C ATOM 187 CE1 HIS A 540 7.218 -41.241 -24.706 1.00 23.35 C ATOM 188 NE2 HIS A 540 6.878 -40.168 -24.041 1.00 42.41 N ATOM 0 H HIS A 540 11.307 -38.867 -21.102 1.00 31.51 H new ATOM 0 HA HIS A 540 9.261 -41.005 -20.791 1.00 22.44 H new ATOM 0 HB2 HIS A 540 10.929 -40.181 -23.151 1.00 20.25 H new ATOM 0 HB3 HIS A 540 10.619 -41.887 -22.899 1.00 20.25 H new ATOM 0 HD2 HIS A 540 7.905 -38.991 -22.520 1.00 75.32 H new ATOM 0 HE1 HIS A 540 6.609 -41.738 -25.446 1.00 23.35 H new ATOM 0 HE2 HIS A 540 5.997 -39.664 -24.138 1.00 42.41 H new ATOM 196 N VAL A 541 11.155 -42.509 -19.889 1.00 24.23 N ATOM 197 CA VAL A 541 12.234 -43.432 -19.487 1.00 54.21 C ATOM 198 C VAL A 541 11.934 -44.790 -20.086 1.00 71.21 C ATOM 199 O VAL A 541 10.838 -45.036 -20.542 1.00 1.21 O ATOM 200 CB VAL A 541 12.430 -43.606 -17.926 1.00 62.12 C ATOM 201 CG1 VAL A 541 12.845 -42.316 -17.293 1.00 51.53 C ATOM 202 CG2 VAL A 541 11.171 -44.165 -17.219 1.00 10.33 C ATOM 0 H VAL A 541 10.222 -42.794 -19.591 1.00 24.23 H new ATOM 0 HA VAL A 541 13.162 -42.993 -19.854 1.00 54.21 H new ATOM 0 HB VAL A 541 13.224 -44.342 -17.798 1.00 62.12 H new ATOM 0 HG11 VAL A 541 12.973 -42.462 -16.220 1.00 51.53 H new ATOM 0 HG12 VAL A 541 13.787 -41.983 -17.729 1.00 51.53 H new ATOM 0 HG13 VAL A 541 12.078 -41.562 -17.468 1.00 51.53 H new ATOM 0 HG21 VAL A 541 11.366 -44.262 -16.151 1.00 10.33 H new ATOM 0 HG22 VAL A 541 10.334 -43.484 -17.374 1.00 10.33 H new ATOM 0 HG23 VAL A 541 10.925 -45.143 -17.633 1.00 10.33 H new ATOM 212 N SER A 542 12.914 -45.666 -20.029 1.00 35.11 N ATOM 213 CA SER A 542 12.769 -47.063 -20.417 1.00 4.11 C ATOM 214 C SER A 542 13.045 -47.784 -19.119 1.00 3.32 C ATOM 215 O SER A 542 13.745 -47.248 -18.283 1.00 74.31 O ATOM 216 CB SER A 542 13.826 -47.424 -21.465 1.00 62.44 C ATOM 217 OG SER A 542 14.067 -48.821 -21.527 1.00 21.31 O ATOM 0 H SER A 542 13.852 -45.429 -19.707 1.00 35.11 H new ATOM 0 HA SER A 542 11.802 -47.307 -20.856 1.00 4.11 H new ATOM 0 HB2 SER A 542 13.501 -47.070 -22.443 1.00 62.44 H new ATOM 0 HB3 SER A 542 14.757 -46.907 -21.232 1.00 62.44 H new ATOM 0 HG SER A 542 13.212 -49.299 -21.567 1.00 21.31 H new ATOM 223 N GLU A 543 12.534 -48.986 -18.955 1.00 61.23 N ATOM 224 CA GLU A 543 12.815 -49.819 -17.777 1.00 73.12 C ATOM 225 C GLU A 543 14.315 -50.036 -17.608 1.00 33.13 C ATOM 226 O GLU A 543 14.841 -50.063 -16.493 1.00 52.11 O ATOM 227 CB GLU A 543 12.141 -51.198 -17.902 1.00 75.41 C ATOM 228 CG GLU A 543 11.372 -51.456 -19.219 1.00 24.05 C ATOM 229 CD GLU A 543 12.255 -51.328 -20.474 1.00 73.55 C ATOM 230 OE1 GLU A 543 13.388 -51.853 -20.496 1.00 64.13 O ATOM 231 OE2 GLU A 543 11.905 -50.463 -21.315 1.00 12.21 O ATOM 0 H GLU A 543 11.908 -49.425 -19.630 1.00 61.23 H new ATOM 0 HA GLU A 543 12.417 -49.290 -16.911 1.00 73.12 H new ATOM 0 HB2 GLU A 543 12.907 -51.966 -17.794 1.00 75.41 H new ATOM 0 HB3 GLU A 543 11.448 -51.319 -17.069 1.00 75.41 H new ATOM 0 HG2 GLU A 543 10.938 -52.455 -19.189 1.00 24.05 H new ATOM 0 HG3 GLU A 543 10.544 -50.751 -19.292 1.00 24.05 H new ATOM 238 N SER A 544 14.998 -50.126 -18.738 1.00 33.22 N ATOM 239 CA SER A 544 16.432 -50.391 -18.801 1.00 71.20 C ATOM 240 C SER A 544 17.276 -49.277 -18.190 1.00 11.30 C ATOM 241 O SER A 544 18.477 -49.442 -17.974 1.00 73.43 O ATOM 242 CB SER A 544 16.835 -50.589 -20.260 1.00 73.23 C ATOM 243 OG SER A 544 16.210 -51.740 -20.812 1.00 44.41 O ATOM 0 H SER A 544 14.566 -50.015 -19.655 1.00 33.22 H new ATOM 0 HA SER A 544 16.622 -51.289 -18.213 1.00 71.20 H new ATOM 0 HB2 SER A 544 16.559 -49.708 -20.840 1.00 73.23 H new ATOM 0 HB3 SER A 544 17.918 -50.690 -20.331 1.00 73.23 H new ATOM 0 HG SER A 544 15.239 -51.672 -20.698 1.00 44.41 H new ATOM 249 N ILE A 545 16.654 -48.148 -17.879 1.00 31.13 N ATOM 250 CA ILE A 545 17.344 -47.065 -17.202 1.00 2.02 C ATOM 251 C ILE A 545 17.681 -47.475 -15.762 1.00 24.11 C ATOM 252 O ILE A 545 18.627 -46.953 -15.158 1.00 4.32 O ATOM 253 CB ILE A 545 16.470 -45.782 -17.186 1.00 71.02 C ATOM 254 CG1 ILE A 545 17.362 -44.559 -16.956 1.00 10.41 C ATOM 255 CG2 ILE A 545 15.321 -45.901 -16.136 1.00 73.32 C ATOM 256 CD1 ILE A 545 16.609 -43.299 -16.649 1.00 33.21 C ATOM 0 H ILE A 545 15.673 -47.961 -18.086 1.00 31.13 H new ATOM 0 HA ILE A 545 18.266 -46.855 -17.745 1.00 2.02 H new ATOM 0 HB ILE A 545 15.983 -45.658 -18.153 1.00 71.02 H new ATOM 0 HG12 ILE A 545 18.045 -44.771 -16.133 1.00 10.41 H new ATOM 0 HG13 ILE A 545 17.973 -44.397 -17.844 1.00 10.41 H new ATOM 0 HG21 ILE A 545 14.724 -44.989 -16.145 1.00 73.32 H new ATOM 0 HG22 ILE A 545 14.687 -46.752 -16.385 1.00 73.32 H new ATOM 0 HG23 ILE A 545 15.748 -46.045 -15.144 1.00 73.32 H new ATOM 0 HD11 ILE A 545 17.314 -42.481 -16.500 1.00 33.21 H new ATOM 0 HD12 ILE A 545 15.946 -43.060 -17.480 1.00 33.21 H new ATOM 0 HD13 ILE A 545 16.019 -43.439 -15.743 1.00 33.21 H new ATOM 268 N GLY A 546 16.894 -48.381 -15.190 1.00 11.42 N ATOM 269 CA GLY A 546 17.102 -48.778 -13.814 1.00 43.00 C ATOM 270 C GLY A 546 16.466 -47.835 -12.832 1.00 12.44 C ATOM 271 O GLY A 546 15.596 -48.200 -12.043 1.00 50.45 O ATOM 0 H GLY A 546 16.116 -48.846 -15.657 1.00 11.42 H new ATOM 0 HA2 GLY A 546 16.696 -49.779 -13.664 1.00 43.00 H new ATOM 0 HA3 GLY A 546 18.172 -48.835 -13.615 1.00 43.00 H new ATOM 275 N VAL A 547 16.954 -46.607 -12.841 1.00 74.22 N ATOM 276 CA VAL A 547 16.519 -45.602 -11.893 1.00 32.13 C ATOM 277 C VAL A 547 16.260 -44.280 -12.611 1.00 20.44 C ATOM 278 O VAL A 547 17.161 -43.696 -13.206 1.00 43.15 O ATOM 279 CB VAL A 547 17.590 -45.429 -10.783 1.00 42.14 C ATOM 280 CG1 VAL A 547 17.180 -44.346 -9.784 1.00 70.51 C ATOM 281 CG2 VAL A 547 17.805 -46.752 -10.022 1.00 10.05 C ATOM 0 H VAL A 547 17.659 -46.282 -13.503 1.00 74.22 H new ATOM 0 HA VAL A 547 15.587 -45.924 -11.428 1.00 32.13 H new ATOM 0 HB VAL A 547 18.518 -45.132 -11.272 1.00 42.14 H new ATOM 0 HG11 VAL A 547 17.949 -44.247 -9.018 1.00 70.51 H new ATOM 0 HG12 VAL A 547 17.063 -43.396 -10.305 1.00 70.51 H new ATOM 0 HG13 VAL A 547 16.235 -44.622 -9.316 1.00 70.51 H new ATOM 0 HG21 VAL A 547 18.560 -46.608 -9.249 1.00 10.05 H new ATOM 0 HG22 VAL A 547 16.868 -47.063 -9.561 1.00 10.05 H new ATOM 0 HG23 VAL A 547 18.140 -47.521 -10.717 1.00 10.05 H new ATOM 291 N MET A 548 15.020 -43.820 -12.554 1.00 55.31 N ATOM 292 CA MET A 548 14.618 -42.561 -13.173 1.00 30.23 C ATOM 293 C MET A 548 14.995 -41.436 -12.198 1.00 44.43 C ATOM 294 O MET A 548 15.086 -41.669 -10.985 1.00 62.34 O ATOM 295 CB MET A 548 13.105 -42.573 -13.480 1.00 70.54 C ATOM 296 CG MET A 548 12.270 -42.010 -12.350 1.00 13.21 C ATOM 297 SD MET A 548 11.970 -40.206 -12.343 1.00 53.41 S ATOM 298 CE MET A 548 11.645 -39.798 -14.032 1.00 44.45 C ATOM 0 H MET A 548 14.261 -44.307 -12.077 1.00 55.31 H new ATOM 0 HA MET A 548 15.126 -42.408 -14.125 1.00 30.23 H new ATOM 0 HB2 MET A 548 12.919 -41.995 -14.385 1.00 70.54 H new ATOM 0 HB3 MET A 548 12.789 -43.596 -13.684 1.00 70.54 H new ATOM 0 HG2 MET A 548 11.303 -42.512 -12.363 1.00 13.21 H new ATOM 0 HG3 MET A 548 12.754 -42.275 -11.410 1.00 13.21 H new ATOM 0 HE1 MET A 548 10.998 -38.922 -14.077 1.00 44.45 H new ATOM 0 HE2 MET A 548 12.584 -39.581 -14.541 1.00 44.45 H new ATOM 0 HE3 MET A 548 11.153 -40.639 -14.521 1.00 44.45 H new ATOM 308 N GLU A 549 15.236 -40.238 -12.712 1.00 23.15 N ATOM 309 CA GLU A 549 15.518 -39.080 -11.860 1.00 21.52 C ATOM 310 C GLU A 549 14.824 -37.825 -12.366 1.00 12.54 C ATOM 311 O GLU A 549 14.789 -37.573 -13.570 1.00 62.31 O ATOM 312 CB GLU A 549 17.027 -38.798 -11.763 1.00 43.50 C ATOM 313 CG GLU A 549 17.486 -38.603 -10.342 1.00 10.41 C ATOM 314 CD GLU A 549 19.006 -38.498 -10.184 1.00 25.45 C ATOM 315 OE1 GLU A 549 19.740 -38.506 -11.188 1.00 43.11 O ATOM 316 OE2 GLU A 549 19.474 -38.438 -9.018 1.00 41.35 O ATOM 0 H GLU A 549 15.243 -40.038 -13.712 1.00 23.15 H new ATOM 0 HA GLU A 549 15.133 -39.333 -10.872 1.00 21.52 H new ATOM 0 HB2 GLU A 549 17.578 -39.626 -12.209 1.00 43.50 H new ATOM 0 HB3 GLU A 549 17.265 -37.907 -12.344 1.00 43.50 H new ATOM 0 HG2 GLU A 549 17.027 -37.698 -9.944 1.00 10.41 H new ATOM 0 HG3 GLU A 549 17.125 -39.435 -9.738 1.00 10.41 H new ATOM 323 N VAL A 550 14.329 -37.001 -11.446 1.00 45.03 N ATOM 324 CA VAL A 550 13.810 -35.676 -11.804 1.00 70.20 C ATOM 325 C VAL A 550 14.662 -34.668 -11.080 1.00 52.54 C ATOM 326 O VAL A 550 15.055 -34.891 -9.941 1.00 0.53 O ATOM 327 CB VAL A 550 12.300 -35.469 -11.434 1.00 10.44 C ATOM 328 CG1 VAL A 550 11.568 -36.769 -11.509 1.00 64.40 C ATOM 329 CG2 VAL A 550 12.102 -34.842 -10.041 1.00 1.22 C ATOM 0 H VAL A 550 14.275 -37.222 -10.452 1.00 45.03 H new ATOM 0 HA VAL A 550 13.859 -35.562 -12.887 1.00 70.20 H new ATOM 0 HB VAL A 550 11.894 -34.767 -12.163 1.00 10.44 H new ATOM 0 HG11 VAL A 550 10.521 -36.612 -11.250 1.00 64.40 H new ATOM 0 HG12 VAL A 550 11.636 -37.167 -12.522 1.00 64.40 H new ATOM 0 HG13 VAL A 550 12.012 -37.478 -10.810 1.00 64.40 H new ATOM 0 HG21 VAL A 550 11.037 -34.724 -9.843 1.00 1.22 H new ATOM 0 HG22 VAL A 550 12.542 -35.491 -9.284 1.00 1.22 H new ATOM 0 HG23 VAL A 550 12.587 -33.866 -10.009 1.00 1.22 H new ATOM 339 N LYS A 551 14.964 -33.564 -11.735 1.00 44.40 N ATOM 340 CA LYS A 551 15.739 -32.504 -11.108 1.00 14.22 C ATOM 341 C LYS A 551 14.768 -31.516 -10.475 1.00 45.13 C ATOM 342 O LYS A 551 13.827 -31.056 -11.124 1.00 64.43 O ATOM 343 CB LYS A 551 16.610 -31.818 -12.147 1.00 63.10 C ATOM 344 CG LYS A 551 17.759 -30.998 -11.559 1.00 53.12 C ATOM 345 CD LYS A 551 19.122 -31.665 -11.805 1.00 15.42 C ATOM 346 CE LYS A 551 19.788 -31.200 -13.117 1.00 64.15 C ATOM 347 NZ LYS A 551 19.108 -31.687 -14.375 1.00 11.14 N ATOM 0 H LYS A 551 14.687 -33.375 -12.698 1.00 44.40 H new ATOM 0 HA LYS A 551 16.395 -32.913 -10.340 1.00 14.22 H new ATOM 0 HB2 LYS A 551 17.023 -32.574 -12.815 1.00 63.10 H new ATOM 0 HB3 LYS A 551 15.985 -31.163 -12.754 1.00 63.10 H new ATOM 0 HG2 LYS A 551 17.757 -30.001 -12.001 1.00 53.12 H new ATOM 0 HG3 LYS A 551 17.604 -30.872 -10.487 1.00 53.12 H new ATOM 0 HD2 LYS A 551 19.785 -31.445 -10.968 1.00 15.42 H new ATOM 0 HD3 LYS A 551 18.992 -32.747 -11.833 1.00 15.42 H new ATOM 0 HE2 LYS A 551 19.811 -30.110 -13.131 1.00 64.15 H new ATOM 0 HE3 LYS A 551 20.823 -31.541 -13.124 1.00 64.15 H new ATOM 0 HZ1 LYS A 551 19.499 -31.185 -15.198 1.00 11.14 H new ATOM 0 HZ2 LYS A 551 19.270 -32.709 -14.484 1.00 11.14 H new ATOM 0 HZ3 LYS A 551 18.086 -31.503 -14.311 1.00 11.14 H new ATOM 361 N VAL A 552 14.994 -31.216 -9.211 1.00 35.32 N ATOM 362 CA VAL A 552 14.145 -30.309 -8.444 1.00 20.23 C ATOM 363 C VAL A 552 14.903 -29.022 -8.193 1.00 35.04 C ATOM 364 O VAL A 552 16.011 -29.046 -7.651 1.00 74.22 O ATOM 365 CB VAL A 552 13.787 -30.887 -7.045 1.00 13.23 C ATOM 366 CG1 VAL A 552 12.599 -30.109 -6.440 1.00 55.03 C ATOM 367 CG2 VAL A 552 13.463 -32.394 -7.115 1.00 12.20 C ATOM 0 H VAL A 552 15.777 -31.595 -8.678 1.00 35.32 H new ATOM 0 HA VAL A 552 13.233 -30.156 -9.022 1.00 20.23 H new ATOM 0 HB VAL A 552 14.659 -30.769 -6.402 1.00 13.23 H new ATOM 0 HG11 VAL A 552 12.355 -30.521 -5.461 1.00 55.03 H new ATOM 0 HG12 VAL A 552 12.868 -29.058 -6.335 1.00 55.03 H new ATOM 0 HG13 VAL A 552 11.733 -30.198 -7.097 1.00 55.03 H new ATOM 0 HG21 VAL A 552 13.218 -32.760 -6.118 1.00 12.20 H new ATOM 0 HG22 VAL A 552 12.613 -32.553 -7.779 1.00 12.20 H new ATOM 0 HG23 VAL A 552 14.329 -32.935 -7.498 1.00 12.20 H new ATOM 377 N LEU A 553 14.320 -27.904 -8.585 1.00 44.13 N ATOM 378 CA LEU A 553 14.915 -26.608 -8.383 1.00 32.21 C ATOM 379 C LEU A 553 14.206 -25.893 -7.249 1.00 62.43 C ATOM 380 O LEU A 553 13.055 -26.203 -6.913 1.00 41.53 O ATOM 381 CB LEU A 553 14.775 -25.756 -9.641 1.00 63.12 C ATOM 382 CG LEU A 553 15.166 -26.362 -10.999 1.00 24.13 C ATOM 383 CD1 LEU A 553 16.472 -27.188 -10.969 1.00 30.11 C ATOM 384 CD2 LEU A 553 14.034 -27.163 -11.583 1.00 60.23 C ATOM 0 H LEU A 553 13.415 -27.876 -9.055 1.00 44.13 H new ATOM 0 HA LEU A 553 15.970 -26.749 -8.148 1.00 32.21 H new ATOM 0 HB2 LEU A 553 13.734 -25.439 -9.710 1.00 63.12 H new ATOM 0 HB3 LEU A 553 15.374 -24.856 -9.497 1.00 63.12 H new ATOM 0 HG LEU A 553 15.370 -25.512 -11.649 1.00 24.13 H new ATOM 0 HD11 LEU A 553 16.677 -27.580 -11.965 1.00 30.11 H new ATOM 0 HD12 LEU A 553 17.298 -26.551 -10.653 1.00 30.11 H new ATOM 0 HD13 LEU A 553 16.363 -28.016 -10.268 1.00 30.11 H new ATOM 0 HD21 LEU A 553 14.340 -27.579 -12.543 1.00 60.23 H new ATOM 0 HD22 LEU A 553 13.773 -27.974 -10.903 1.00 60.23 H new ATOM 0 HD23 LEU A 553 13.168 -26.517 -11.727 1.00 60.23 H new ATOM 396 N ARG A 554 14.871 -24.886 -6.717 1.00 52.31 N ATOM 397 CA ARG A 554 14.305 -24.016 -5.694 1.00 13.43 C ATOM 398 C ARG A 554 14.623 -22.598 -6.141 1.00 25.34 C ATOM 399 O ARG A 554 15.715 -22.346 -6.632 1.00 3.13 O ATOM 400 CB ARG A 554 14.927 -24.342 -4.335 1.00 62.33 C ATOM 401 CG ARG A 554 14.366 -23.576 -3.157 1.00 51.03 C ATOM 402 CD ARG A 554 15.138 -23.967 -1.898 1.00 74.44 C ATOM 403 NE ARG A 554 14.604 -23.304 -0.698 1.00 41.25 N ATOM 404 CZ ARG A 554 15.221 -23.240 0.477 1.00 40.30 C ATOM 405 NH1 ARG A 554 16.377 -23.795 0.702 1.00 51.20 N ATOM 406 NH2 ARG A 554 14.671 -22.580 1.453 1.00 52.42 N ATOM 0 H ARG A 554 15.826 -24.644 -6.981 1.00 52.31 H new ATOM 0 HA ARG A 554 13.229 -24.147 -5.579 1.00 13.43 H new ATOM 0 HB2 ARG A 554 14.802 -25.408 -4.145 1.00 62.33 H new ATOM 0 HB3 ARG A 554 15.999 -24.152 -4.391 1.00 62.33 H new ATOM 0 HG2 ARG A 554 14.448 -22.503 -3.331 1.00 51.03 H new ATOM 0 HG3 ARG A 554 13.306 -23.798 -3.033 1.00 51.03 H new ATOM 0 HD2 ARG A 554 15.093 -25.048 -1.766 1.00 74.44 H new ATOM 0 HD3 ARG A 554 16.189 -23.704 -2.020 1.00 74.44 H new ATOM 0 HE ARG A 554 13.689 -22.859 -0.774 1.00 41.25 H new ATOM 0 HH11 ARG A 554 16.850 -24.308 -0.042 1.00 51.20 H new ATOM 0 HH12 ARG A 554 16.810 -23.717 1.622 1.00 51.20 H new ATOM 0 HH21 ARG A 554 13.773 -22.117 1.313 1.00 52.42 H new ATOM 0 HH22 ARG A 554 15.137 -22.526 2.358 1.00 52.42 H new ATOM 420 N THR A 555 13.665 -21.689 -6.042 1.00 25.00 N ATOM 421 CA THR A 555 13.877 -20.323 -6.539 1.00 54.30 C ATOM 422 C THR A 555 14.908 -19.568 -5.688 1.00 63.32 C ATOM 423 O THR A 555 15.334 -20.045 -4.633 1.00 20.13 O ATOM 424 CB THR A 555 12.538 -19.518 -6.626 1.00 73.22 C ATOM 425 OG1 THR A 555 12.668 -18.482 -7.603 1.00 33.21 O ATOM 426 CG2 THR A 555 12.151 -18.858 -5.295 1.00 20.10 C ATOM 0 H THR A 555 12.747 -21.859 -5.631 1.00 25.00 H new ATOM 0 HA THR A 555 14.274 -20.415 -7.550 1.00 54.30 H new ATOM 0 HB THR A 555 11.761 -20.234 -6.894 1.00 73.22 H new ATOM 0 HG1 THR A 555 11.829 -17.978 -7.659 1.00 33.21 H new ATOM 0 HG21 THR A 555 11.214 -18.314 -5.417 1.00 20.10 H new ATOM 0 HG22 THR A 555 12.028 -19.625 -4.531 1.00 20.10 H new ATOM 0 HG23 THR A 555 12.936 -18.165 -4.991 1.00 20.10 H new ATOM 434 N SER A 556 15.265 -18.366 -6.127 1.00 4.44 N ATOM 435 CA SER A 556 16.259 -17.507 -5.468 1.00 13.30 C ATOM 436 C SER A 556 15.875 -17.010 -4.072 1.00 4.52 C ATOM 437 O SER A 556 16.645 -16.331 -3.387 1.00 53.41 O ATOM 438 CB SER A 556 16.487 -16.311 -6.384 1.00 51.22 C ATOM 439 OG SER A 556 15.289 -16.034 -7.089 1.00 3.44 O ATOM 0 H SER A 556 14.867 -17.947 -6.968 1.00 4.44 H new ATOM 0 HA SER A 556 17.153 -18.111 -5.310 1.00 13.30 H new ATOM 0 HB2 SER A 556 16.790 -15.442 -5.800 1.00 51.22 H new ATOM 0 HB3 SER A 556 17.296 -16.522 -7.084 1.00 51.22 H new ATOM 0 HG SER A 556 15.427 -15.264 -7.679 1.00 3.44 H new ATOM 445 N GLY A 557 14.705 -17.434 -3.647 1.00 3.30 N ATOM 446 CA GLY A 557 14.164 -17.149 -2.330 1.00 34.15 C ATOM 447 C GLY A 557 14.552 -18.240 -1.353 1.00 35.33 C ATOM 448 O GLY A 557 13.816 -18.532 -0.440 1.00 4.12 O ATOM 0 H GLY A 557 14.084 -18.003 -4.222 1.00 3.30 H new ATOM 0 HA2 GLY A 557 14.536 -16.187 -1.977 1.00 34.15 H new ATOM 0 HA3 GLY A 557 13.078 -17.070 -2.385 1.00 34.15 H new ATOM 452 N ALA A 558 15.660 -18.918 -1.592 1.00 61.41 N ATOM 453 CA ALA A 558 16.031 -20.096 -0.805 1.00 44.03 C ATOM 454 C ALA A 558 16.581 -19.800 0.604 1.00 75.23 C ATOM 455 O ALA A 558 17.663 -20.228 0.954 1.00 51.23 O ATOM 456 CB ALA A 558 17.030 -20.911 -1.591 1.00 41.31 C ATOM 0 H ALA A 558 16.326 -18.677 -2.326 1.00 61.41 H new ATOM 0 HA ALA A 558 15.107 -20.648 -0.631 1.00 44.03 H new ATOM 0 HB1 ALA A 558 17.314 -21.792 -1.015 1.00 41.31 H new ATOM 0 HB2 ALA A 558 16.583 -21.223 -2.535 1.00 41.31 H new ATOM 0 HB3 ALA A 558 17.915 -20.307 -1.791 1.00 41.31 H new ATOM 462 N ARG A 559 15.841 -19.058 1.403 1.00 31.01 N ATOM 463 CA ARG A 559 16.298 -18.667 2.723 1.00 23.22 C ATOM 464 C ARG A 559 15.962 -19.734 3.733 1.00 22.10 C ATOM 465 O ARG A 559 14.805 -20.066 3.963 1.00 33.43 O ATOM 466 CB ARG A 559 15.688 -17.315 3.115 1.00 72.43 C ATOM 467 CG ARG A 559 15.928 -16.221 2.054 1.00 5.42 C ATOM 468 CD ARG A 559 17.439 -15.939 1.912 1.00 0.11 C ATOM 469 NE ARG A 559 17.784 -15.085 0.764 1.00 30.23 N ATOM 470 CZ ARG A 559 19.015 -14.924 0.286 1.00 20.51 C ATOM 471 NH1 ARG A 559 20.059 -15.521 0.814 1.00 71.22 N ATOM 472 NH2 ARG A 559 19.201 -14.154 -0.741 1.00 22.02 N ATOM 0 H ARG A 559 14.913 -18.711 1.159 1.00 31.01 H new ATOM 0 HA ARG A 559 17.382 -18.555 2.705 1.00 23.22 H new ATOM 0 HB2 ARG A 559 14.616 -17.436 3.269 1.00 72.43 H new ATOM 0 HB3 ARG A 559 16.112 -16.992 4.066 1.00 72.43 H new ATOM 0 HG2 ARG A 559 15.518 -16.538 1.095 1.00 5.42 H new ATOM 0 HG3 ARG A 559 15.405 -15.308 2.338 1.00 5.42 H new ATOM 0 HD2 ARG A 559 17.797 -15.464 2.825 1.00 0.11 H new ATOM 0 HD3 ARG A 559 17.968 -16.887 1.818 1.00 0.11 H new ATOM 0 HE ARG A 559 17.026 -14.581 0.303 1.00 30.23 H new ATOM 0 HH11 ARG A 559 19.942 -16.134 1.620 1.00 71.22 H new ATOM 0 HH12 ARG A 559 20.987 -15.371 0.418 1.00 71.22 H new ATOM 0 HH21 ARG A 559 18.408 -13.680 -1.173 1.00 22.02 H new ATOM 0 HH22 ARG A 559 20.140 -14.023 -1.117 1.00 22.02 H new ATOM 486 N GLY A 560 17.009 -20.279 4.312 1.00 12.35 N ATOM 487 CA GLY A 560 16.874 -21.308 5.326 1.00 4.33 C ATOM 488 C GLY A 560 16.728 -22.685 4.722 1.00 44.35 C ATOM 489 O GLY A 560 16.725 -22.850 3.497 1.00 33.21 O ATOM 0 H GLY A 560 17.973 -20.025 4.097 1.00 12.35 H new ATOM 0 HA2 GLY A 560 17.747 -21.290 5.979 1.00 4.33 H new ATOM 0 HA3 GLY A 560 16.006 -21.092 5.948 1.00 4.33 H new ATOM 493 N THR A 561 16.597 -23.670 5.585 1.00 11.23 N ATOM 494 CA THR A 561 16.482 -25.059 5.184 1.00 61.30 C ATOM 495 C THR A 561 15.029 -25.446 5.201 1.00 52.43 C ATOM 496 O THR A 561 14.296 -25.156 6.118 1.00 34.21 O ATOM 497 CB THR A 561 17.278 -26.001 6.119 1.00 43.25 C ATOM 498 OG1 THR A 561 18.665 -25.653 6.061 1.00 62.22 O ATOM 499 CG2 THR A 561 17.115 -27.448 5.739 1.00 1.34 C ATOM 0 H THR A 561 16.567 -23.529 6.595 1.00 11.23 H new ATOM 0 HA THR A 561 16.900 -25.162 4.183 1.00 61.30 H new ATOM 0 HB THR A 561 16.888 -25.877 7.129 1.00 43.25 H new ATOM 0 HG1 THR A 561 18.799 -24.773 6.470 1.00 62.22 H new ATOM 0 HG21 THR A 561 17.691 -28.071 6.423 1.00 1.34 H new ATOM 0 HG22 THR A 561 16.062 -27.723 5.798 1.00 1.34 H new ATOM 0 HG23 THR A 561 17.473 -27.599 4.721 1.00 1.34 H new ATOM 507 N VAL A 562 14.630 -26.083 4.130 1.00 53.50 N ATOM 508 CA VAL A 562 13.273 -26.565 3.912 1.00 72.23 C ATOM 509 C VAL A 562 13.383 -28.053 3.618 1.00 5.53 C ATOM 510 O VAL A 562 14.303 -28.469 2.939 1.00 42.14 O ATOM 511 CB VAL A 562 12.638 -25.835 2.694 1.00 12.45 C ATOM 512 CG1 VAL A 562 11.299 -26.446 2.284 1.00 74.43 C ATOM 513 CG2 VAL A 562 12.427 -24.363 3.004 1.00 22.23 C ATOM 0 H VAL A 562 15.257 -26.292 3.353 1.00 53.50 H new ATOM 0 HA VAL A 562 12.645 -26.377 4.783 1.00 72.23 H new ATOM 0 HB VAL A 562 13.337 -25.950 1.866 1.00 12.45 H new ATOM 0 HG11 VAL A 562 10.897 -25.901 1.430 1.00 74.43 H new ATOM 0 HG12 VAL A 562 11.444 -27.491 2.012 1.00 74.43 H new ATOM 0 HG13 VAL A 562 10.599 -26.382 3.117 1.00 74.43 H new ATOM 0 HG21 VAL A 562 11.982 -23.869 2.140 1.00 22.23 H new ATOM 0 HG22 VAL A 562 11.761 -24.264 3.861 1.00 22.23 H new ATOM 0 HG23 VAL A 562 13.386 -23.898 3.233 1.00 22.23 H new ATOM 523 N ILE A 563 12.440 -28.839 4.104 1.00 2.43 N ATOM 524 CA ILE A 563 12.369 -30.248 3.775 1.00 13.40 C ATOM 525 C ILE A 563 11.165 -30.392 2.836 1.00 14.24 C ATOM 526 O ILE A 563 10.145 -29.713 3.025 1.00 52.11 O ATOM 527 CB ILE A 563 12.259 -31.118 5.059 1.00 13.03 C ATOM 528 CG1 ILE A 563 12.980 -32.447 4.859 1.00 43.53 C ATOM 529 CG2 ILE A 563 10.799 -31.393 5.470 1.00 51.21 C ATOM 530 CD1 ILE A 563 13.569 -32.978 6.131 1.00 50.42 C ATOM 0 H ILE A 563 11.705 -28.519 4.735 1.00 2.43 H new ATOM 0 HA ILE A 563 13.273 -30.606 3.281 1.00 13.40 H new ATOM 0 HB ILE A 563 12.728 -30.548 5.861 1.00 13.03 H new ATOM 0 HG12 ILE A 563 12.281 -33.178 4.453 1.00 43.53 H new ATOM 0 HG13 ILE A 563 13.772 -32.319 4.121 1.00 43.53 H new ATOM 0 HG21 ILE A 563 10.784 -32.004 6.372 1.00 51.21 H new ATOM 0 HG22 ILE A 563 10.291 -30.448 5.664 1.00 51.21 H new ATOM 0 HG23 ILE A 563 10.288 -31.921 4.665 1.00 51.21 H new ATOM 0 HD11 ILE A 563 14.070 -33.925 5.932 1.00 50.42 H new ATOM 0 HD12 ILE A 563 14.290 -32.262 6.525 1.00 50.42 H new ATOM 0 HD13 ILE A 563 12.776 -33.134 6.862 1.00 50.42 H new ATOM 542 N VAL A 564 11.291 -31.196 1.792 1.00 54.25 N ATOM 543 CA VAL A 564 10.199 -31.362 0.822 1.00 63.00 C ATOM 544 C VAL A 564 9.946 -32.833 0.469 1.00 45.32 C ATOM 545 O VAL A 564 10.792 -33.480 -0.152 1.00 1.34 O ATOM 546 CB VAL A 564 10.471 -30.610 -0.515 1.00 72.24 C ATOM 547 CG1 VAL A 564 9.192 -30.601 -1.383 1.00 34.02 C ATOM 548 CG2 VAL A 564 10.913 -29.174 -0.256 1.00 54.14 C ATOM 0 H VAL A 564 12.127 -31.743 1.588 1.00 54.25 H new ATOM 0 HA VAL A 564 9.326 -30.940 1.319 1.00 63.00 H new ATOM 0 HB VAL A 564 11.271 -31.132 -1.039 1.00 72.24 H new ATOM 0 HG11 VAL A 564 9.389 -30.074 -2.316 1.00 34.02 H new ATOM 0 HG12 VAL A 564 8.893 -31.626 -1.602 1.00 34.02 H new ATOM 0 HG13 VAL A 564 8.390 -30.097 -0.844 1.00 34.02 H new ATOM 0 HG21 VAL A 564 11.096 -28.673 -1.206 1.00 54.14 H new ATOM 0 HG22 VAL A 564 10.131 -28.645 0.289 1.00 54.14 H new ATOM 0 HG23 VAL A 564 11.829 -29.176 0.335 1.00 54.14 H new ATOM 558 N PRO A 565 8.774 -33.375 0.838 1.00 60.02 N ATOM 559 CA PRO A 565 8.421 -34.726 0.398 1.00 4.30 C ATOM 560 C PRO A 565 8.001 -34.842 -1.042 1.00 21.42 C ATOM 561 O PRO A 565 7.507 -33.891 -1.642 1.00 42.32 O ATOM 562 CB PRO A 565 7.227 -35.079 1.296 1.00 14.44 C ATOM 563 CG PRO A 565 6.618 -33.793 1.617 1.00 54.20 C ATOM 564 CD PRO A 565 7.706 -32.780 1.656 1.00 51.21 C ATOM 0 HA PRO A 565 9.289 -35.381 0.474 1.00 4.30 H new ATOM 0 HB2 PRO A 565 6.524 -35.734 0.782 1.00 14.44 H new ATOM 0 HB3 PRO A 565 7.549 -35.602 2.197 1.00 14.44 H new ATOM 0 HG2 PRO A 565 5.871 -33.525 0.869 1.00 54.20 H new ATOM 0 HG3 PRO A 565 6.104 -33.841 2.577 1.00 54.20 H new ATOM 0 HD2 PRO A 565 7.376 -31.824 1.249 1.00 51.21 H new ATOM 0 HD3 PRO A 565 8.041 -32.593 2.676 1.00 51.21 H new ATOM 572 N PHE A 566 8.128 -36.051 -1.561 1.00 1.20 N ATOM 573 CA PHE A 566 7.657 -36.397 -2.883 1.00 2.35 C ATOM 574 C PHE A 566 7.045 -37.777 -2.817 1.00 64.23 C ATOM 575 O PHE A 566 7.290 -38.513 -1.860 1.00 44.35 O ATOM 576 CB PHE A 566 8.827 -36.411 -3.845 1.00 65.14 C ATOM 577 CG PHE A 566 9.896 -37.421 -3.492 1.00 43.13 C ATOM 578 CD1 PHE A 566 10.964 -37.064 -2.648 1.00 24.03 C ATOM 579 CD2 PHE A 566 9.854 -38.728 -4.016 1.00 2.22 C ATOM 580 CE1 PHE A 566 11.984 -37.996 -2.328 1.00 61.35 C ATOM 581 CE2 PHE A 566 10.872 -39.667 -3.704 1.00 74.14 C ATOM 582 CZ PHE A 566 11.937 -39.297 -2.864 1.00 24.32 C ATOM 0 H PHE A 566 8.567 -36.827 -1.066 1.00 1.20 H new ATOM 0 HA PHE A 566 6.920 -35.671 -3.227 1.00 2.35 H new ATOM 0 HB2 PHE A 566 8.458 -36.623 -4.848 1.00 65.14 H new ATOM 0 HB3 PHE A 566 9.274 -35.417 -3.873 1.00 65.14 H new ATOM 0 HD1 PHE A 566 11.008 -36.066 -2.238 1.00 24.03 H new ATOM 0 HD2 PHE A 566 9.039 -39.019 -4.662 1.00 2.22 H new ATOM 0 HE1 PHE A 566 12.795 -37.708 -1.675 1.00 61.35 H new ATOM 0 HE2 PHE A 566 10.828 -40.666 -4.112 1.00 74.14 H new ATOM 0 HZ PHE A 566 12.716 -40.008 -2.631 1.00 24.32 H new ATOM 592 N ARG A 567 6.276 -38.130 -3.836 1.00 24.51 N ATOM 593 CA ARG A 567 5.681 -39.461 -3.955 1.00 71.03 C ATOM 594 C ARG A 567 5.373 -39.711 -5.418 1.00 13.40 C ATOM 595 O ARG A 567 5.126 -38.765 -6.161 1.00 43.21 O ATOM 596 CB ARG A 567 4.400 -39.561 -3.107 1.00 53.33 C ATOM 597 CG ARG A 567 3.355 -38.471 -3.401 1.00 13.34 C ATOM 598 CD ARG A 567 2.426 -38.816 -4.556 1.00 14.30 C ATOM 599 NE ARG A 567 1.680 -40.082 -4.438 1.00 23.30 N ATOM 600 CZ ARG A 567 0.454 -40.241 -3.964 1.00 0.00 C ATOM 601 NH1 ARG A 567 -0.236 -39.255 -3.447 1.00 14.33 N ATOM 602 NH2 ARG A 567 -0.092 -41.422 -4.034 1.00 24.03 N ATOM 0 H ARG A 567 6.044 -37.504 -4.607 1.00 24.51 H new ATOM 0 HA ARG A 567 6.377 -40.214 -3.586 1.00 71.03 H new ATOM 0 HB2 ARG A 567 3.945 -40.537 -3.273 1.00 53.33 H new ATOM 0 HB3 ARG A 567 4.672 -39.511 -2.053 1.00 53.33 H new ATOM 0 HG2 ARG A 567 2.759 -38.299 -2.505 1.00 13.34 H new ATOM 0 HG3 ARG A 567 3.870 -37.537 -3.626 1.00 13.34 H new ATOM 0 HD2 ARG A 567 1.707 -38.005 -4.671 1.00 14.30 H new ATOM 0 HD3 ARG A 567 3.017 -38.851 -5.471 1.00 14.30 H new ATOM 0 HE ARG A 567 2.159 -40.925 -4.755 1.00 23.30 H new ATOM 0 HH11 ARG A 567 0.169 -38.320 -3.398 1.00 14.33 H new ATOM 0 HH12 ARG A 567 -1.178 -39.422 -3.093 1.00 14.33 H new ATOM 0 HH21 ARG A 567 0.424 -42.199 -4.447 1.00 24.03 H new ATOM 0 HH22 ARG A 567 -1.035 -41.570 -3.676 1.00 24.03 H new ATOM 616 N THR A 568 5.357 -40.967 -5.819 1.00 34.22 N ATOM 617 CA THR A 568 5.022 -41.339 -7.189 1.00 54.03 C ATOM 618 C THR A 568 3.497 -41.403 -7.265 1.00 24.04 C ATOM 619 O THR A 568 2.847 -41.771 -6.288 1.00 53.25 O ATOM 620 CB THR A 568 5.689 -42.684 -7.550 1.00 63.24 C ATOM 621 OG1 THR A 568 7.054 -42.628 -7.149 1.00 62.24 O ATOM 622 CG2 THR A 568 5.716 -42.931 -9.023 1.00 3.20 C ATOM 0 H THR A 568 5.574 -41.758 -5.212 1.00 34.22 H new ATOM 0 HA THR A 568 5.393 -40.613 -7.913 1.00 54.03 H new ATOM 0 HB THR A 568 5.116 -43.468 -7.055 1.00 63.24 H new ATOM 0 HG1 THR A 568 7.106 -42.395 -6.199 1.00 62.24 H new ATOM 0 HG21 THR A 568 6.195 -43.889 -9.222 1.00 3.20 H new ATOM 0 HG22 THR A 568 4.696 -42.948 -9.408 1.00 3.20 H new ATOM 0 HG23 THR A 568 6.276 -42.136 -9.515 1.00 3.20 H new ATOM 630 N VAL A 569 2.940 -40.963 -8.380 1.00 45.52 N ATOM 631 CA VAL A 569 1.510 -40.866 -8.605 1.00 1.13 C ATOM 632 C VAL A 569 1.345 -41.550 -9.908 1.00 31.05 C ATOM 633 O VAL A 569 1.915 -41.161 -10.909 1.00 63.02 O ATOM 634 CB VAL A 569 0.979 -39.412 -8.812 1.00 60.12 C ATOM 635 CG1 VAL A 569 -0.548 -39.423 -9.022 1.00 64.43 C ATOM 636 CG2 VAL A 569 1.314 -38.516 -7.658 1.00 14.31 C ATOM 0 H VAL A 569 3.491 -40.653 -9.181 1.00 45.52 H new ATOM 0 HA VAL A 569 0.974 -41.269 -7.746 1.00 1.13 H new ATOM 0 HB VAL A 569 1.474 -39.018 -9.700 1.00 60.12 H new ATOM 0 HG11 VAL A 569 -0.903 -38.402 -9.165 1.00 64.43 H new ATOM 0 HG12 VAL A 569 -0.790 -40.018 -9.903 1.00 64.43 H new ATOM 0 HG13 VAL A 569 -1.032 -39.857 -8.147 1.00 64.43 H new ATOM 0 HG21 VAL A 569 0.924 -37.516 -7.849 1.00 14.31 H new ATOM 0 HG22 VAL A 569 0.866 -38.913 -6.747 1.00 14.31 H new ATOM 0 HG23 VAL A 569 2.396 -38.467 -7.538 1.00 14.31 H new ATOM 646 N GLU A 570 0.610 -42.611 -9.869 1.00 41.31 N ATOM 647 CA GLU A 570 0.393 -43.419 -11.026 1.00 35.14 C ATOM 648 C GLU A 570 -0.717 -42.816 -11.890 1.00 72.31 C ATOM 649 O GLU A 570 -1.672 -42.236 -11.375 1.00 22.52 O ATOM 650 CB GLU A 570 0.123 -44.852 -10.574 1.00 10.10 C ATOM 651 CG GLU A 570 -0.154 -45.093 -9.047 1.00 2.40 C ATOM 652 CD GLU A 570 -1.316 -44.282 -8.441 1.00 13.53 C ATOM 653 OE1 GLU A 570 -2.494 -44.623 -8.648 1.00 51.41 O ATOM 654 OE2 GLU A 570 -1.012 -43.317 -7.678 1.00 3.22 O ATOM 0 H GLU A 570 0.139 -42.946 -9.028 1.00 41.31 H new ATOM 0 HA GLU A 570 1.276 -43.444 -11.664 1.00 35.14 H new ATOM 0 HB2 GLU A 570 -0.735 -45.225 -11.134 1.00 10.10 H new ATOM 0 HB3 GLU A 570 0.980 -45.462 -10.860 1.00 10.10 H new ATOM 0 HG2 GLU A 570 -0.358 -46.153 -8.897 1.00 2.40 H new ATOM 0 HG3 GLU A 570 0.755 -44.862 -8.491 1.00 2.40 H new ATOM 661 N GLY A 571 -0.532 -42.876 -13.204 1.00 71.20 N ATOM 662 CA GLY A 571 -1.506 -42.328 -14.142 1.00 63.34 C ATOM 663 C GLY A 571 -2.252 -43.490 -14.743 1.00 1.12 C ATOM 664 O GLY A 571 -3.327 -43.854 -14.271 1.00 75.12 O ATOM 0 H GLY A 571 0.285 -43.299 -13.645 1.00 71.20 H new ATOM 0 HA2 GLY A 571 -2.193 -41.653 -13.632 1.00 63.34 H new ATOM 0 HA3 GLY A 571 -1.007 -41.748 -14.919 1.00 63.34 H new ATOM 668 N THR A 572 -1.617 -44.162 -15.690 1.00 73.24 N ATOM 669 CA THR A 572 -2.045 -45.503 -16.072 1.00 14.51 C ATOM 670 C THR A 572 -0.853 -46.396 -15.723 1.00 61.14 C ATOM 671 O THR A 572 0.223 -46.272 -16.308 1.00 10.04 O ATOM 672 CB THR A 572 -2.524 -45.602 -17.561 1.00 40.32 C ATOM 673 OG1 THR A 572 -2.773 -46.967 -17.904 1.00 33.44 O ATOM 674 CG2 THR A 572 -1.537 -45.018 -18.547 1.00 51.14 C ATOM 0 H THR A 572 -0.811 -43.808 -16.205 1.00 73.24 H new ATOM 0 HA THR A 572 -2.939 -45.821 -15.536 1.00 14.51 H new ATOM 0 HB THR A 572 -3.438 -45.012 -17.629 1.00 40.32 H new ATOM 0 HG1 THR A 572 -2.050 -47.297 -18.478 1.00 33.44 H new ATOM 0 HG21 THR A 572 -1.930 -45.119 -19.559 1.00 51.14 H new ATOM 0 HG22 THR A 572 -1.380 -43.963 -18.323 1.00 51.14 H new ATOM 0 HG23 THR A 572 -0.589 -45.550 -18.471 1.00 51.14 H new ATOM 682 N ALA A 573 -1.057 -47.214 -14.700 1.00 2.34 N ATOM 683 CA ALA A 573 -0.080 -48.154 -14.138 1.00 33.03 C ATOM 684 C ALA A 573 -0.849 -48.743 -12.959 1.00 42.43 C ATOM 685 O ALA A 573 -1.957 -48.283 -12.662 1.00 22.41 O ATOM 686 CB ALA A 573 1.218 -47.440 -13.641 1.00 52.53 C ATOM 0 H ALA A 573 -1.951 -47.247 -14.211 1.00 2.34 H new ATOM 0 HA ALA A 573 0.269 -48.886 -14.866 1.00 33.03 H new ATOM 0 HB1 ALA A 573 1.907 -48.180 -13.235 1.00 52.53 H new ATOM 0 HB2 ALA A 573 1.691 -46.923 -14.476 1.00 52.53 H new ATOM 0 HB3 ALA A 573 0.962 -46.718 -12.865 1.00 52.53 H new ATOM 692 N LYS A 574 -0.265 -49.701 -12.259 1.00 64.31 N ATOM 693 CA LYS A 574 -0.854 -50.278 -11.067 1.00 22.34 C ATOM 694 C LYS A 574 -0.053 -49.789 -9.835 1.00 24.42 C ATOM 695 O LYS A 574 -0.619 -49.584 -8.759 1.00 32.31 O ATOM 696 CB LYS A 574 -0.871 -51.796 -11.251 1.00 40.44 C ATOM 697 CG LYS A 574 -0.431 -52.577 -10.087 1.00 64.14 C ATOM 698 CD LYS A 574 -1.465 -52.623 -8.972 1.00 23.23 C ATOM 699 CE LYS A 574 -0.807 -52.922 -7.626 1.00 10.51 C ATOM 700 NZ LYS A 574 0.336 -53.884 -7.751 1.00 22.24 N ATOM 0 H LYS A 574 0.640 -50.102 -12.506 1.00 64.31 H new ATOM 0 HA LYS A 574 -1.884 -49.963 -10.901 1.00 22.34 H new ATOM 0 HB2 LYS A 574 -1.884 -52.102 -11.511 1.00 40.44 H new ATOM 0 HB3 LYS A 574 -0.235 -52.049 -12.099 1.00 40.44 H new ATOM 0 HG2 LYS A 574 -0.203 -53.594 -10.405 1.00 64.14 H new ATOM 0 HG3 LYS A 574 0.494 -52.150 -9.699 1.00 64.14 H new ATOM 0 HD2 LYS A 574 -1.991 -51.670 -8.920 1.00 23.23 H new ATOM 0 HD3 LYS A 574 -2.210 -53.387 -9.194 1.00 23.23 H new ATOM 0 HE2 LYS A 574 -0.449 -51.992 -7.185 1.00 10.51 H new ATOM 0 HE3 LYS A 574 -1.551 -53.333 -6.944 1.00 10.51 H new ATOM 0 HZ1 LYS A 574 0.530 -54.315 -6.825 1.00 22.24 H new ATOM 0 HZ2 LYS A 574 0.090 -54.628 -8.435 1.00 22.24 H new ATOM 0 HZ3 LYS A 574 1.182 -53.377 -8.081 1.00 22.24 H new ATOM 714 N GLY A 575 1.245 -49.569 -10.003 1.00 54.33 N ATOM 715 CA GLY A 575 2.076 -49.057 -8.919 1.00 1.24 C ATOM 716 C GLY A 575 2.490 -50.084 -7.884 1.00 40.31 C ATOM 717 O GLY A 575 2.234 -51.287 -8.014 1.00 33.24 O ATOM 0 H GLY A 575 1.744 -49.736 -10.876 1.00 54.33 H new ATOM 0 HA2 GLY A 575 2.975 -48.615 -9.349 1.00 1.24 H new ATOM 0 HA3 GLY A 575 1.536 -48.255 -8.416 1.00 1.24 H new ATOM 721 N GLY A 576 3.136 -49.613 -6.831 1.00 53.52 N ATOM 722 CA GLY A 576 3.615 -50.498 -5.787 1.00 14.23 C ATOM 723 C GLY A 576 5.004 -50.984 -6.125 1.00 33.55 C ATOM 724 O GLY A 576 5.974 -50.277 -5.905 1.00 71.33 O ATOM 0 H GLY A 576 3.340 -48.625 -6.678 1.00 53.52 H new ATOM 0 HA2 GLY A 576 3.626 -49.975 -4.831 1.00 14.23 H new ATOM 0 HA3 GLY A 576 2.939 -51.346 -5.679 1.00 14.23 H new ATOM 728 N GLY A 577 5.093 -52.221 -6.590 1.00 24.20 N ATOM 729 CA GLY A 577 6.341 -52.786 -7.083 1.00 65.33 C ATOM 730 C GLY A 577 6.172 -53.271 -8.510 1.00 51.40 C ATOM 731 O GLY A 577 6.923 -54.117 -8.955 1.00 62.22 O ATOM 0 H GLY A 577 4.301 -52.862 -6.636 1.00 24.20 H new ATOM 0 HA2 GLY A 577 7.131 -52.036 -7.038 1.00 65.33 H new ATOM 0 HA3 GLY A 577 6.651 -53.614 -6.445 1.00 65.33 H new ATOM 735 N GLU A 578 5.046 -52.923 -9.118 1.00 11.32 N ATOM 736 CA GLU A 578 4.558 -53.647 -10.299 1.00 53.44 C ATOM 737 C GLU A 578 5.122 -53.190 -11.637 1.00 73.05 C ATOM 738 O GLU A 578 5.524 -53.996 -12.460 1.00 22.32 O ATOM 739 CB GLU A 578 3.044 -53.496 -10.343 1.00 51.54 C ATOM 740 CG GLU A 578 2.316 -54.672 -10.911 1.00 4.24 C ATOM 741 CD GLU A 578 1.737 -55.566 -9.802 1.00 43.33 C ATOM 742 OE1 GLU A 578 2.416 -55.755 -8.766 1.00 63.23 O ATOM 743 OE2 GLU A 578 0.527 -55.890 -9.862 1.00 51.13 O ATOM 0 H GLU A 578 4.452 -52.149 -8.820 1.00 11.32 H new ATOM 0 HA GLU A 578 4.895 -54.677 -10.179 1.00 53.44 H new ATOM 0 HB2 GLU A 578 2.681 -53.315 -9.331 1.00 51.54 H new ATOM 0 HB3 GLU A 578 2.797 -52.613 -10.933 1.00 51.54 H new ATOM 0 HG2 GLU A 578 1.510 -54.325 -11.558 1.00 4.24 H new ATOM 0 HG3 GLU A 578 2.995 -55.256 -11.533 1.00 4.24 H new ATOM 750 N ASP A 579 5.095 -51.888 -11.847 1.00 44.42 N ATOM 751 CA ASP A 579 5.573 -51.251 -13.082 1.00 3.33 C ATOM 752 C ASP A 579 6.738 -50.330 -12.746 1.00 55.34 C ATOM 753 O ASP A 579 7.612 -50.049 -13.568 1.00 13.34 O ATOM 754 CB ASP A 579 4.425 -50.430 -13.666 1.00 20.01 C ATOM 755 CG ASP A 579 3.398 -50.084 -12.620 1.00 23.23 C ATOM 756 OD1 ASP A 579 3.732 -49.370 -11.657 1.00 50.01 O ATOM 757 OD2 ASP A 579 2.269 -50.603 -12.690 1.00 41.42 O ATOM 0 H ASP A 579 4.737 -51.224 -11.161 1.00 44.42 H new ATOM 0 HA ASP A 579 5.903 -52.001 -13.800 1.00 3.33 H new ATOM 0 HB2 ASP A 579 4.820 -49.514 -14.105 1.00 20.01 H new ATOM 0 HB3 ASP A 579 3.950 -50.990 -14.471 1.00 20.01 H new ATOM 762 N PHE A 580 6.790 -49.943 -11.486 1.00 53.33 N ATOM 763 CA PHE A 580 7.930 -49.252 -10.922 1.00 2.41 C ATOM 764 C PHE A 580 7.795 -49.479 -9.433 1.00 44.13 C ATOM 765 O PHE A 580 6.733 -49.892 -8.963 1.00 61.13 O ATOM 766 CB PHE A 580 7.884 -47.747 -11.245 1.00 21.42 C ATOM 767 CG PHE A 580 6.549 -47.106 -10.946 1.00 73.35 C ATOM 768 CD1 PHE A 580 6.184 -46.783 -9.624 1.00 33.11 C ATOM 769 CD2 PHE A 580 5.638 -46.843 -11.985 1.00 42.04 C ATOM 770 CE1 PHE A 580 4.921 -46.214 -9.340 1.00 24.33 C ATOM 771 CE2 PHE A 580 4.374 -46.266 -11.711 1.00 63.31 C ATOM 772 CZ PHE A 580 4.019 -45.955 -10.383 1.00 13.11 C ATOM 0 H PHE A 580 6.034 -50.102 -10.820 1.00 53.33 H new ATOM 0 HA PHE A 580 8.875 -49.617 -11.324 1.00 2.41 H new ATOM 0 HB2 PHE A 580 8.659 -47.237 -10.673 1.00 21.42 H new ATOM 0 HB3 PHE A 580 8.119 -47.603 -12.299 1.00 21.42 H new ATOM 0 HD1 PHE A 580 6.877 -46.972 -8.818 1.00 33.11 H new ATOM 0 HD2 PHE A 580 5.905 -47.084 -13.003 1.00 42.04 H new ATOM 0 HE1 PHE A 580 4.651 -45.979 -8.321 1.00 24.33 H new ATOM 0 HE2 PHE A 580 3.684 -46.065 -12.517 1.00 63.31 H new ATOM 0 HZ PHE A 580 3.055 -45.518 -10.169 1.00 13.11 H new ATOM 782 N GLU A 581 8.838 -49.168 -8.685 1.00 74.54 N ATOM 783 CA GLU A 581 8.739 -49.178 -7.232 1.00 42.45 C ATOM 784 C GLU A 581 8.299 -47.795 -6.774 1.00 22.14 C ATOM 785 O GLU A 581 8.878 -46.787 -7.198 1.00 35.43 O ATOM 786 CB GLU A 581 10.066 -49.527 -6.574 1.00 2.44 C ATOM 787 CG GLU A 581 10.444 -50.995 -6.689 1.00 62.21 C ATOM 788 CD GLU A 581 11.645 -51.317 -5.821 1.00 25.11 C ATOM 789 OE1 GLU A 581 11.540 -51.202 -4.577 1.00 13.45 O ATOM 790 OE2 GLU A 581 12.754 -51.485 -6.369 1.00 54.43 O ATOM 0 H GLU A 581 9.754 -48.908 -9.051 1.00 74.54 H new ATOM 0 HA GLU A 581 8.017 -49.940 -6.939 1.00 42.45 H new ATOM 0 HB2 GLU A 581 10.854 -48.923 -7.024 1.00 2.44 H new ATOM 0 HB3 GLU A 581 10.020 -49.255 -5.519 1.00 2.44 H new ATOM 0 HG2 GLU A 581 9.599 -51.616 -6.392 1.00 62.21 H new ATOM 0 HG3 GLU A 581 10.667 -51.236 -7.728 1.00 62.21 H new ATOM 797 N ASP A 582 7.298 -47.755 -5.901 1.00 75.31 N ATOM 798 CA ASP A 582 6.768 -46.502 -5.348 1.00 70.52 C ATOM 799 C ASP A 582 7.866 -45.680 -4.722 1.00 40.32 C ATOM 800 O ASP A 582 8.373 -45.978 -3.637 1.00 43.35 O ATOM 801 CB ASP A 582 5.725 -46.758 -4.262 1.00 15.32 C ATOM 802 CG ASP A 582 4.371 -47.162 -4.813 1.00 2.20 C ATOM 803 OD1 ASP A 582 4.108 -46.974 -6.019 1.00 43.33 O ATOM 804 OD2 ASP A 582 3.530 -47.606 -4.002 1.00 41.51 O ATOM 0 H ASP A 582 6.826 -48.590 -5.553 1.00 75.31 H new ATOM 0 HA ASP A 582 6.314 -45.971 -6.185 1.00 70.52 H new ATOM 0 HB2 ASP A 582 6.088 -47.542 -3.598 1.00 15.32 H new ATOM 0 HB3 ASP A 582 5.610 -45.857 -3.659 1.00 15.32 H new ATOM 809 N ALA A 583 8.225 -44.620 -5.413 1.00 63.33 N ATOM 810 CA ALA A 583 9.267 -43.743 -4.961 1.00 22.23 C ATOM 811 C ALA A 583 8.688 -42.573 -4.192 1.00 1.43 C ATOM 812 O ALA A 583 7.999 -41.706 -4.733 1.00 52.44 O ATOM 813 CB ALA A 583 10.056 -43.285 -6.108 1.00 23.41 C ATOM 0 H ALA A 583 7.801 -44.348 -6.300 1.00 63.33 H new ATOM 0 HA ALA A 583 9.923 -44.288 -4.282 1.00 22.23 H new ATOM 0 HB1 ALA A 583 10.847 -42.619 -5.763 1.00 23.41 H new ATOM 0 HB2 ALA A 583 10.499 -44.144 -6.611 1.00 23.41 H new ATOM 0 HB3 ALA A 583 9.410 -42.750 -6.804 1.00 23.41 H new ATOM 819 N TYR A 584 9.000 -42.554 -2.917 1.00 21.22 N ATOM 820 CA TYR A 584 8.567 -41.493 -2.018 1.00 75.14 C ATOM 821 C TYR A 584 9.606 -41.291 -0.932 1.00 32.33 C ATOM 822 O TYR A 584 10.297 -42.226 -0.538 1.00 21.41 O ATOM 823 CB TYR A 584 7.200 -41.819 -1.398 1.00 44.12 C ATOM 824 CG TYR A 584 7.145 -43.156 -0.691 1.00 61.53 C ATOM 825 CD1 TYR A 584 7.458 -43.270 0.681 1.00 54.14 C ATOM 826 CD2 TYR A 584 6.770 -44.320 -1.390 1.00 42.30 C ATOM 827 CE1 TYR A 584 7.403 -44.534 1.335 1.00 4.44 C ATOM 828 CE2 TYR A 584 6.718 -45.576 -0.743 1.00 74.43 C ATOM 829 CZ TYR A 584 7.036 -45.674 0.612 1.00 2.23 C ATOM 830 OH TYR A 584 6.986 -46.891 1.237 1.00 61.40 O ATOM 0 H TYR A 584 9.564 -43.274 -2.466 1.00 21.22 H new ATOM 0 HA TYR A 584 8.462 -40.572 -2.591 1.00 75.14 H new ATOM 0 HB2 TYR A 584 6.938 -41.034 -0.689 1.00 44.12 H new ATOM 0 HB3 TYR A 584 6.444 -41.804 -2.183 1.00 44.12 H new ATOM 0 HD1 TYR A 584 7.742 -42.390 1.240 1.00 54.14 H new ATOM 0 HD2 TYR A 584 6.518 -44.252 -2.438 1.00 42.30 H new ATOM 0 HE1 TYR A 584 7.644 -44.612 2.385 1.00 4.44 H new ATOM 0 HE2 TYR A 584 6.433 -46.458 -1.297 1.00 74.43 H new ATOM 0 HH TYR A 584 6.713 -47.578 0.594 1.00 61.40 H new ATOM 840 N GLY A 585 9.732 -40.063 -0.459 1.00 3.42 N ATOM 841 CA GLY A 585 10.676 -39.769 0.604 1.00 13.41 C ATOM 842 C GLY A 585 10.685 -38.283 0.849 1.00 31.32 C ATOM 843 O GLY A 585 9.855 -37.580 0.284 1.00 41.40 O ATOM 0 H GLY A 585 9.197 -39.260 -0.791 1.00 3.42 H new ATOM 0 HA2 GLY A 585 10.397 -40.300 1.514 1.00 13.41 H new ATOM 0 HA3 GLY A 585 11.673 -40.112 0.328 1.00 13.41 H new ATOM 847 N GLU A 586 11.623 -37.801 1.651 1.00 10.35 N ATOM 848 CA GLU A 586 11.779 -36.366 1.891 1.00 22.01 C ATOM 849 C GLU A 586 13.169 -35.933 1.474 1.00 43.24 C ATOM 850 O GLU A 586 14.128 -36.693 1.567 1.00 44.14 O ATOM 851 CB GLU A 586 11.552 -36.002 3.363 1.00 23.34 C ATOM 852 CG GLU A 586 10.086 -35.887 3.717 1.00 64.41 C ATOM 853 CD GLU A 586 9.823 -35.062 4.968 1.00 65.33 C ATOM 854 OE1 GLU A 586 10.601 -35.130 5.935 1.00 2.13 O ATOM 855 OE2 GLU A 586 8.813 -34.317 4.964 1.00 45.42 O ATOM 0 H GLU A 586 12.294 -38.384 2.152 1.00 10.35 H new ATOM 0 HA GLU A 586 11.025 -35.846 1.299 1.00 22.01 H new ATOM 0 HB2 GLU A 586 12.016 -36.759 3.996 1.00 23.34 H new ATOM 0 HB3 GLU A 586 12.049 -35.057 3.580 1.00 23.34 H new ATOM 0 HG2 GLU A 586 9.553 -35.440 2.878 1.00 64.41 H new ATOM 0 HG3 GLU A 586 9.676 -36.887 3.859 1.00 64.41 H new ATOM 862 N LEU A 587 13.254 -34.703 0.995 1.00 13.33 N ATOM 863 CA LEU A 587 14.493 -34.127 0.507 1.00 5.13 C ATOM 864 C LEU A 587 14.785 -32.892 1.321 1.00 72.34 C ATOM 865 O LEU A 587 13.942 -32.007 1.416 1.00 12.01 O ATOM 866 CB LEU A 587 14.306 -33.684 -0.938 1.00 75.43 C ATOM 867 CG LEU A 587 13.837 -34.736 -1.943 1.00 2.13 C ATOM 868 CD1 LEU A 587 13.134 -34.025 -3.068 1.00 15.20 C ATOM 869 CD2 LEU A 587 14.980 -35.562 -2.485 1.00 74.11 C ATOM 0 H LEU A 587 12.456 -34.071 0.934 1.00 13.33 H new ATOM 0 HA LEU A 587 15.297 -34.859 0.582 1.00 5.13 H new ATOM 0 HB2 LEU A 587 13.587 -32.865 -0.948 1.00 75.43 H new ATOM 0 HB3 LEU A 587 15.255 -33.280 -1.292 1.00 75.43 H new ATOM 0 HG LEU A 587 13.164 -35.428 -1.437 1.00 2.13 H new ATOM 0 HD11 LEU A 587 12.789 -34.755 -3.800 1.00 15.20 H new ATOM 0 HD12 LEU A 587 12.280 -33.475 -2.673 1.00 15.20 H new ATOM 0 HD13 LEU A 587 13.824 -33.330 -3.546 1.00 15.20 H new ATOM 0 HD21 LEU A 587 14.595 -36.295 -3.194 1.00 74.11 H new ATOM 0 HD22 LEU A 587 15.694 -34.910 -2.988 1.00 74.11 H new ATOM 0 HD23 LEU A 587 15.477 -36.078 -1.664 1.00 74.11 H new ATOM 881 N GLU A 588 15.973 -32.791 1.874 1.00 2.33 N ATOM 882 CA GLU A 588 16.373 -31.569 2.540 1.00 61.31 C ATOM 883 C GLU A 588 16.926 -30.625 1.486 1.00 40.54 C ATOM 884 O GLU A 588 17.643 -31.024 0.570 1.00 24.10 O ATOM 885 CB GLU A 588 17.417 -31.818 3.639 1.00 70.43 C ATOM 886 CG GLU A 588 18.670 -32.588 3.188 1.00 32.43 C ATOM 887 CD GLU A 588 19.812 -32.481 4.191 1.00 41.34 C ATOM 888 OE1 GLU A 588 19.662 -31.781 5.216 1.00 42.24 O ATOM 889 OE2 GLU A 588 20.915 -32.972 3.875 1.00 15.14 O ATOM 0 H GLU A 588 16.674 -33.532 1.877 1.00 2.33 H new ATOM 0 HA GLU A 588 15.505 -31.134 3.036 1.00 61.31 H new ATOM 0 HB2 GLU A 588 17.728 -30.856 4.047 1.00 70.43 H new ATOM 0 HB3 GLU A 588 16.943 -32.370 4.450 1.00 70.43 H new ATOM 0 HG2 GLU A 588 18.415 -33.638 3.043 1.00 32.43 H new ATOM 0 HG3 GLU A 588 19.001 -32.204 2.223 1.00 32.43 H new ATOM 896 N PHE A 589 16.570 -29.366 1.629 1.00 2.32 N ATOM 897 CA PHE A 589 17.098 -28.292 0.790 1.00 55.13 C ATOM 898 C PHE A 589 17.592 -27.178 1.693 1.00 72.30 C ATOM 899 O PHE A 589 16.792 -26.505 2.333 1.00 12.13 O ATOM 900 CB PHE A 589 15.989 -27.677 -0.069 1.00 30.22 C ATOM 901 CG PHE A 589 15.524 -28.539 -1.200 1.00 42.24 C ATOM 902 CD1 PHE A 589 14.584 -29.569 -0.990 1.00 60.11 C ATOM 903 CD2 PHE A 589 15.960 -28.273 -2.513 1.00 22.43 C ATOM 904 CE1 PHE A 589 14.084 -30.316 -2.072 1.00 44.02 C ATOM 905 CE2 PHE A 589 15.460 -29.014 -3.599 1.00 24.32 C ATOM 906 CZ PHE A 589 14.523 -30.043 -3.373 1.00 11.44 C ATOM 0 H PHE A 589 15.903 -29.049 2.332 1.00 2.32 H new ATOM 0 HA PHE A 589 17.884 -28.707 0.160 1.00 55.13 H new ATOM 0 HB2 PHE A 589 15.136 -27.449 0.571 1.00 30.22 H new ATOM 0 HB3 PHE A 589 16.345 -26.730 -0.474 1.00 30.22 H new ATOM 0 HD1 PHE A 589 14.244 -29.787 0.012 1.00 60.11 H new ATOM 0 HD2 PHE A 589 16.685 -27.492 -2.687 1.00 22.43 H new ATOM 0 HE1 PHE A 589 13.362 -31.100 -1.899 1.00 44.02 H new ATOM 0 HE2 PHE A 589 15.793 -28.795 -4.603 1.00 24.32 H new ATOM 0 HZ PHE A 589 14.144 -30.620 -4.203 1.00 11.44 H new ATOM 916 N LYS A 590 18.881 -26.894 1.651 1.00 50.53 N ATOM 917 CA LYS A 590 19.455 -25.755 2.364 1.00 65.44 C ATOM 918 C LYS A 590 19.588 -24.618 1.352 1.00 41.53 C ATOM 919 O LYS A 590 19.139 -24.742 0.217 1.00 64.02 O ATOM 920 CB LYS A 590 20.812 -26.144 2.966 1.00 24.21 C ATOM 921 CG LYS A 590 20.739 -27.405 3.836 1.00 54.24 C ATOM 922 CD LYS A 590 22.097 -27.779 4.409 1.00 1.41 C ATOM 923 CE LYS A 590 22.066 -29.182 5.024 1.00 23.11 C ATOM 924 NZ LYS A 590 21.871 -30.229 3.965 1.00 62.14 N ATOM 0 H LYS A 590 19.562 -27.441 1.125 1.00 50.53 H new ATOM 0 HA LYS A 590 18.822 -25.439 3.193 1.00 65.44 H new ATOM 0 HB2 LYS A 590 21.528 -26.305 2.160 1.00 24.21 H new ATOM 0 HB3 LYS A 590 21.188 -25.316 3.566 1.00 24.21 H new ATOM 0 HG2 LYS A 590 20.033 -27.243 4.651 1.00 54.24 H new ATOM 0 HG3 LYS A 590 20.355 -28.234 3.242 1.00 54.24 H new ATOM 0 HD2 LYS A 590 22.851 -27.739 3.623 1.00 1.41 H new ATOM 0 HD3 LYS A 590 22.389 -27.052 5.167 1.00 1.41 H new ATOM 0 HE2 LYS A 590 22.997 -29.369 5.559 1.00 23.11 H new ATOM 0 HE3 LYS A 590 21.260 -29.245 5.755 1.00 23.11 H new ATOM 0 HZ1 LYS A 590 22.120 -31.163 4.350 1.00 62.14 H new ATOM 0 HZ2 LYS A 590 20.876 -30.234 3.661 1.00 62.14 H new ATOM 0 HZ3 LYS A 590 22.481 -30.016 3.150 1.00 62.14 H new ATOM 938 N ASN A 591 20.182 -23.518 1.775 1.00 0.41 N ATOM 939 CA ASN A 591 20.331 -22.316 0.953 1.00 24.33 C ATOM 940 C ASN A 591 20.876 -22.532 -0.471 1.00 73.03 C ATOM 941 O ASN A 591 20.198 -22.214 -1.434 1.00 32.44 O ATOM 942 CB ASN A 591 21.260 -21.348 1.702 1.00 53.14 C ATOM 943 CG ASN A 591 21.255 -19.945 1.126 1.00 3.32 C ATOM 944 OD1 ASN A 591 20.315 -19.648 0.288 1.00 4.14 O flip ATOM 945 ND2 ASN A 591 22.060 -19.116 1.500 1.00 23.34 N flip ATOM 0 H ASN A 591 20.582 -23.426 2.709 1.00 0.41 H new ATOM 0 HA ASN A 591 19.324 -21.926 0.807 1.00 24.33 H new ATOM 0 HB2 ASN A 591 20.960 -21.304 2.749 1.00 53.14 H new ATOM 0 HB3 ASN A 591 22.277 -21.740 1.678 1.00 53.14 H new ATOM 0 HD21 ASN A 591 22.791 -19.377 2.161 1.00 23.34 H new ATOM 0 HD22 ASN A 591 22.005 -18.159 1.153 1.00 23.34 H new ATOM 952 N ASP A 592 22.107 -23.013 -0.589 1.00 53.13 N ATOM 953 CA ASP A 592 22.788 -23.148 -1.890 1.00 74.21 C ATOM 954 C ASP A 592 22.307 -24.381 -2.649 1.00 72.50 C ATOM 955 O ASP A 592 22.383 -24.473 -3.868 1.00 74.31 O ATOM 956 CB ASP A 592 24.291 -23.255 -1.644 1.00 31.11 C ATOM 957 CG ASP A 592 24.810 -22.118 -0.792 1.00 33.33 C ATOM 958 OD1 ASP A 592 24.747 -22.254 0.454 1.00 62.40 O ATOM 959 OD2 ASP A 592 25.178 -21.064 -1.343 1.00 42.34 O ATOM 0 H ASP A 592 22.668 -23.322 0.205 1.00 53.13 H new ATOM 0 HA ASP A 592 22.557 -22.273 -2.497 1.00 74.21 H new ATOM 0 HB2 ASP A 592 24.511 -24.204 -1.155 1.00 31.11 H new ATOM 0 HB3 ASP A 592 24.815 -23.260 -2.600 1.00 31.11 H new ATOM 964 N GLU A 593 21.786 -25.307 -1.863 1.00 33.31 N ATOM 965 CA GLU A 593 21.213 -26.607 -2.282 1.00 53.01 C ATOM 966 C GLU A 593 20.039 -26.607 -3.263 1.00 44.11 C ATOM 967 O GLU A 593 19.248 -27.546 -3.278 1.00 62.22 O ATOM 968 CB GLU A 593 20.916 -27.494 -1.089 1.00 61.23 C ATOM 969 CG GLU A 593 22.151 -27.848 -0.289 1.00 15.15 C ATOM 970 CD GLU A 593 21.855 -28.898 0.758 1.00 31.34 C ATOM 971 OE1 GLU A 593 20.670 -29.279 0.901 1.00 11.01 O ATOM 972 OE2 GLU A 593 22.790 -29.340 1.449 1.00 54.23 O ATOM 0 H GLU A 593 21.741 -25.179 -0.852 1.00 33.31 H new ATOM 0 HA GLU A 593 22.023 -27.018 -2.884 1.00 53.01 H new ATOM 0 HB2 GLU A 593 20.201 -26.990 -0.438 1.00 61.23 H new ATOM 0 HB3 GLU A 593 20.440 -28.411 -1.436 1.00 61.23 H new ATOM 0 HG2 GLU A 593 22.928 -28.212 -0.961 1.00 15.15 H new ATOM 0 HG3 GLU A 593 22.541 -26.952 0.194 1.00 15.15 H new ATOM 979 N THR A 594 19.813 -25.501 -3.950 1.00 40.13 N ATOM 980 CA THR A 594 18.609 -25.289 -4.743 1.00 41.13 C ATOM 981 C THR A 594 18.581 -26.132 -6.021 1.00 43.32 C ATOM 982 O THR A 594 17.737 -25.925 -6.887 1.00 51.50 O ATOM 983 CB THR A 594 18.592 -23.828 -5.266 1.00 55.23 C ATOM 984 OG1 THR A 594 19.756 -23.594 -6.066 1.00 72.13 O ATOM 985 CG2 THR A 594 18.611 -22.839 -4.139 1.00 63.31 C ATOM 0 H THR A 594 20.464 -24.716 -3.975 1.00 40.13 H new ATOM 0 HA THR A 594 17.777 -25.545 -4.088 1.00 41.13 H new ATOM 0 HB THR A 594 17.678 -23.699 -5.845 1.00 55.23 H new ATOM 0 HG1 THR A 594 19.745 -22.672 -6.398 1.00 72.13 H new ATOM 0 HG21 THR A 594 18.598 -21.827 -4.543 1.00 63.31 H new ATOM 0 HG22 THR A 594 17.735 -22.989 -3.508 1.00 63.31 H new ATOM 0 HG23 THR A 594 19.514 -22.981 -3.545 1.00 63.31 H new ATOM 993 N VAL A 595 19.437 -27.142 -6.069 1.00 53.12 N ATOM 994 CA VAL A 595 19.403 -28.165 -7.103 1.00 23.42 C ATOM 995 C VAL A 595 19.421 -29.503 -6.369 1.00 61.32 C ATOM 996 O VAL A 595 20.294 -29.750 -5.531 1.00 74.35 O ATOM 997 CB VAL A 595 20.630 -28.084 -8.056 1.00 60.33 C ATOM 998 CG1 VAL A 595 20.240 -28.564 -9.458 1.00 52.42 C ATOM 999 CG2 VAL A 595 21.194 -26.646 -8.117 1.00 75.34 C ATOM 0 H VAL A 595 20.182 -27.275 -5.385 1.00 53.12 H new ATOM 0 HA VAL A 595 18.518 -28.034 -7.725 1.00 23.42 H new ATOM 0 HB VAL A 595 21.411 -28.734 -7.662 1.00 60.33 H new ATOM 0 HG11 VAL A 595 21.106 -28.503 -10.117 1.00 52.42 H new ATOM 0 HG12 VAL A 595 19.895 -29.597 -9.406 1.00 52.42 H new ATOM 0 HG13 VAL A 595 19.441 -27.934 -9.849 1.00 52.42 H new ATOM 0 HG21 VAL A 595 22.051 -26.619 -8.790 1.00 75.34 H new ATOM 0 HG22 VAL A 595 20.423 -25.968 -8.484 1.00 75.34 H new ATOM 0 HG23 VAL A 595 21.506 -26.335 -7.120 1.00 75.34 H new ATOM 1009 N LYS A 596 18.430 -30.342 -6.637 1.00 50.33 N ATOM 1010 CA LYS A 596 18.283 -31.626 -5.954 1.00 62.24 C ATOM 1011 C LYS A 596 17.655 -32.593 -6.931 1.00 35.12 C ATOM 1012 O LYS A 596 17.282 -32.182 -8.022 1.00 12.14 O ATOM 1013 CB LYS A 596 17.376 -31.436 -4.738 1.00 23.04 C ATOM 1014 CG LYS A 596 17.441 -32.524 -3.659 1.00 21.04 C ATOM 1015 CD LYS A 596 18.807 -32.631 -2.997 1.00 0.33 C ATOM 1016 CE LYS A 596 19.125 -31.347 -2.222 1.00 2.14 C ATOM 1017 NZ LYS A 596 20.046 -31.536 -1.039 1.00 44.04 N ATOM 0 H LYS A 596 17.706 -30.156 -7.331 1.00 50.33 H new ATOM 0 HA LYS A 596 19.246 -32.011 -5.617 1.00 62.24 H new ATOM 0 HB2 LYS A 596 17.623 -30.481 -4.275 1.00 23.04 H new ATOM 0 HB3 LYS A 596 16.346 -31.364 -5.088 1.00 23.04 H new ATOM 0 HG2 LYS A 596 16.690 -32.316 -2.897 1.00 21.04 H new ATOM 0 HG3 LYS A 596 17.184 -33.485 -4.105 1.00 21.04 H new ATOM 0 HD2 LYS A 596 18.825 -33.486 -2.321 1.00 0.33 H new ATOM 0 HD3 LYS A 596 19.572 -32.806 -3.753 1.00 0.33 H new ATOM 0 HE2 LYS A 596 19.577 -30.628 -2.906 1.00 2.14 H new ATOM 0 HE3 LYS A 596 18.190 -30.909 -1.871 1.00 2.14 H new ATOM 0 HZ1 LYS A 596 20.126 -30.641 -0.515 1.00 44.04 H new ATOM 0 HZ2 LYS A 596 19.660 -32.271 -0.412 1.00 44.04 H new ATOM 0 HZ3 LYS A 596 20.987 -31.826 -1.374 1.00 44.04 H new ATOM 1031 N THR A 597 17.519 -33.852 -6.558 1.00 52.21 N ATOM 1032 CA THR A 597 16.942 -34.841 -7.435 1.00 33.22 C ATOM 1033 C THR A 597 16.093 -35.856 -6.670 1.00 52.01 C ATOM 1034 O THR A 597 16.271 -36.037 -5.469 1.00 45.10 O ATOM 1035 CB THR A 597 18.084 -35.584 -8.108 1.00 75.51 C ATOM 1036 OG1 THR A 597 19.324 -35.185 -7.515 1.00 71.40 O ATOM 1037 CG2 THR A 597 18.175 -35.302 -9.620 1.00 12.51 C ATOM 0 H THR A 597 17.804 -34.211 -5.647 1.00 52.21 H new ATOM 0 HA THR A 597 16.298 -34.336 -8.155 1.00 33.22 H new ATOM 0 HB THR A 597 17.889 -36.647 -7.969 1.00 75.51 H new ATOM 0 HG1 THR A 597 20.062 -35.664 -7.946 1.00 71.40 H new ATOM 0 HG21 THR A 597 19.009 -35.860 -10.045 1.00 12.51 H new ATOM 0 HG22 THR A 597 17.248 -35.610 -10.104 1.00 12.51 H new ATOM 0 HG23 THR A 597 18.332 -34.236 -9.782 1.00 12.51 H new ATOM 1045 N ILE A 598 15.178 -36.508 -7.380 1.00 62.23 N ATOM 1046 CA ILE A 598 14.315 -37.568 -6.830 1.00 23.43 C ATOM 1047 C ILE A 598 14.583 -38.800 -7.656 1.00 12.12 C ATOM 1048 O ILE A 598 14.650 -38.694 -8.859 1.00 4.24 O ATOM 1049 CB ILE A 598 12.805 -37.216 -6.964 1.00 33.41 C ATOM 1050 CG1 ILE A 598 12.470 -36.127 -5.949 1.00 71.30 C ATOM 1051 CG2 ILE A 598 11.912 -38.475 -6.744 1.00 31.35 C ATOM 1052 CD1 ILE A 598 11.111 -35.475 -6.106 1.00 43.02 C ATOM 0 H ILE A 598 15.006 -36.319 -8.367 1.00 62.23 H new ATOM 0 HA ILE A 598 14.532 -37.703 -5.770 1.00 23.43 H new ATOM 0 HB ILE A 598 12.604 -36.854 -7.972 1.00 33.41 H new ATOM 0 HG12 ILE A 598 12.533 -36.557 -4.949 1.00 71.30 H new ATOM 0 HG13 ILE A 598 13.233 -35.352 -6.011 1.00 71.30 H new ATOM 0 HG21 ILE A 598 10.862 -38.198 -6.844 1.00 31.35 H new ATOM 0 HG22 ILE A 598 12.160 -39.232 -7.488 1.00 31.35 H new ATOM 0 HG23 ILE A 598 12.088 -38.876 -5.746 1.00 31.35 H new ATOM 0 HD11 ILE A 598 10.979 -34.718 -5.333 1.00 43.02 H new ATOM 0 HD12 ILE A 598 11.043 -35.007 -7.088 1.00 43.02 H new ATOM 0 HD13 ILE A 598 10.332 -36.231 -6.010 1.00 43.02 H new ATOM 1064 N ARG A 599 14.716 -39.950 -7.005 1.00 40.13 N ATOM 1065 CA ARG A 599 15.001 -41.222 -7.685 1.00 64.02 C ATOM 1066 C ARG A 599 13.885 -42.231 -7.498 1.00 41.01 C ATOM 1067 O ARG A 599 13.343 -42.360 -6.407 1.00 42.40 O ATOM 1068 CB ARG A 599 16.316 -41.817 -7.168 1.00 25.35 C ATOM 1069 CG ARG A 599 17.497 -41.178 -7.838 1.00 33.33 C ATOM 1070 CD ARG A 599 18.847 -41.749 -7.478 1.00 65.54 C ATOM 1071 NE ARG A 599 19.822 -41.135 -8.394 1.00 42.33 N ATOM 1072 CZ ARG A 599 20.545 -41.763 -9.314 1.00 34.12 C ATOM 1073 NH1 ARG A 599 20.549 -43.067 -9.450 1.00 35.22 N ATOM 1074 NH2 ARG A 599 21.267 -41.051 -10.129 1.00 1.53 N ATOM 0 H ARG A 599 14.631 -40.034 -5.992 1.00 40.13 H new ATOM 0 HA ARG A 599 15.084 -41.005 -8.750 1.00 64.02 H new ATOM 0 HB2 ARG A 599 16.384 -41.674 -6.090 1.00 25.35 H new ATOM 0 HB3 ARG A 599 16.329 -42.892 -7.349 1.00 25.35 H new ATOM 0 HG2 ARG A 599 17.366 -41.259 -8.917 1.00 33.33 H new ATOM 0 HG3 ARG A 599 17.497 -40.115 -7.595 1.00 33.33 H new ATOM 0 HD2 ARG A 599 19.097 -41.527 -6.441 1.00 65.54 H new ATOM 0 HD3 ARG A 599 18.849 -42.834 -7.581 1.00 65.54 H new ATOM 0 HE ARG A 599 19.956 -40.127 -8.314 1.00 42.33 H new ATOM 0 HH11 ARG A 599 19.979 -43.646 -8.833 1.00 35.22 H new ATOM 0 HH12 ARG A 599 21.122 -43.503 -10.173 1.00 35.22 H new ATOM 0 HH21 ARG A 599 21.269 -40.034 -10.053 1.00 1.53 H new ATOM 0 HH22 ARG A 599 21.831 -41.510 -10.844 1.00 1.53 H new ATOM 1088 N VAL A 600 13.565 -42.943 -8.570 1.00 65.23 N ATOM 1089 CA VAL A 600 12.528 -43.985 -8.574 1.00 50.34 C ATOM 1090 C VAL A 600 13.181 -45.187 -9.233 1.00 22.53 C ATOM 1091 O VAL A 600 13.953 -45.011 -10.160 1.00 53.52 O ATOM 1092 CB VAL A 600 11.226 -43.519 -9.379 1.00 43.43 C ATOM 1093 CG1 VAL A 600 11.085 -41.988 -9.367 1.00 51.03 C ATOM 1094 CG2 VAL A 600 10.988 -44.291 -10.592 1.00 30.31 C ATOM 0 H VAL A 600 14.019 -42.818 -9.475 1.00 65.23 H new ATOM 0 HA VAL A 600 12.181 -44.210 -7.566 1.00 50.34 H new ATOM 0 HB VAL A 600 10.314 -43.804 -8.854 1.00 43.43 H new ATOM 0 HG11 VAL A 600 10.192 -41.701 -9.922 1.00 51.03 H new ATOM 0 HG12 VAL A 600 11.002 -41.638 -8.338 1.00 51.03 H new ATOM 0 HG13 VAL A 600 11.962 -41.538 -9.833 1.00 51.03 H new ATOM 0 HG21 VAL A 600 10.090 -43.922 -11.088 1.00 30.31 H new ATOM 0 HG22 VAL A 600 11.841 -44.188 -11.262 1.00 30.31 H new ATOM 0 HG23 VAL A 600 10.854 -45.342 -10.334 1.00 30.31 H new ATOM 1104 N LYS A 601 12.907 -46.393 -8.758 1.00 74.40 N ATOM 1105 CA LYS A 601 13.450 -47.601 -9.388 1.00 63.15 C ATOM 1106 C LYS A 601 12.383 -48.148 -10.319 1.00 2.02 C ATOM 1107 O LYS A 601 11.207 -48.132 -9.969 1.00 73.40 O ATOM 1108 CB LYS A 601 13.822 -48.659 -8.347 1.00 72.41 C ATOM 1109 CG LYS A 601 14.908 -48.206 -7.376 1.00 34.25 C ATOM 1110 CD LYS A 601 15.446 -49.375 -6.551 1.00 63.22 C ATOM 1111 CE LYS A 601 15.133 -49.222 -5.062 1.00 23.31 C ATOM 1112 NZ LYS A 601 13.663 -49.308 -4.792 1.00 65.40 N ATOM 0 H LYS A 601 12.317 -46.567 -7.945 1.00 74.40 H new ATOM 0 HA LYS A 601 14.360 -47.351 -9.933 1.00 63.15 H new ATOM 0 HB2 LYS A 601 12.930 -48.929 -7.781 1.00 72.41 H new ATOM 0 HB3 LYS A 601 14.158 -49.560 -8.861 1.00 72.41 H new ATOM 0 HG2 LYS A 601 15.725 -47.745 -7.931 1.00 34.25 H new ATOM 0 HG3 LYS A 601 14.506 -47.443 -6.709 1.00 34.25 H new ATOM 0 HD2 LYS A 601 15.014 -50.306 -6.918 1.00 63.22 H new ATOM 0 HD3 LYS A 601 16.525 -49.449 -6.688 1.00 63.22 H new ATOM 0 HE2 LYS A 601 15.652 -49.998 -4.500 1.00 23.31 H new ATOM 0 HE3 LYS A 601 15.512 -48.264 -4.707 1.00 23.31 H new ATOM 0 HZ1 LYS A 601 13.389 -48.562 -4.122 1.00 65.40 H new ATOM 0 HZ2 LYS A 601 13.139 -49.184 -5.682 1.00 65.40 H new ATOM 0 HZ3 LYS A 601 13.439 -50.238 -4.385 1.00 65.40 H new ATOM 1126 N ILE A 602 12.789 -48.592 -11.493 1.00 52.32 N ATOM 1127 CA ILE A 602 11.868 -49.123 -12.492 1.00 64.31 C ATOM 1128 C ILE A 602 12.107 -50.629 -12.516 1.00 70.14 C ATOM 1129 O ILE A 602 13.248 -51.068 -12.383 1.00 32.54 O ATOM 1130 CB ILE A 602 12.111 -48.477 -13.907 1.00 15.11 C ATOM 1131 CG1 ILE A 602 12.266 -46.931 -13.772 1.00 61.42 C ATOM 1132 CG2 ILE A 602 10.938 -48.854 -14.864 1.00 12.23 C ATOM 1133 CD1 ILE A 602 11.032 -46.220 -13.280 1.00 34.14 C ATOM 0 H ILE A 602 13.766 -48.597 -11.786 1.00 52.32 H new ATOM 0 HA ILE A 602 10.834 -48.889 -12.240 1.00 64.31 H new ATOM 0 HB ILE A 602 13.036 -48.866 -14.333 1.00 15.11 H new ATOM 0 HG12 ILE A 602 13.089 -46.719 -13.089 1.00 61.42 H new ATOM 0 HG13 ILE A 602 12.544 -46.520 -14.743 1.00 61.42 H new ATOM 0 HG21 ILE A 602 11.109 -48.406 -15.843 1.00 12.23 H new ATOM 0 HG22 ILE A 602 10.885 -49.938 -14.966 1.00 12.23 H new ATOM 0 HG23 ILE A 602 9.999 -48.482 -14.453 1.00 12.23 H new ATOM 0 HD11 ILE A 602 11.230 -45.150 -13.216 1.00 34.14 H new ATOM 0 HD12 ILE A 602 10.210 -46.396 -13.973 1.00 34.14 H new ATOM 0 HD13 ILE A 602 10.763 -46.599 -12.294 1.00 34.14 H new ATOM 1145 N VAL A 603 11.036 -51.400 -12.606 1.00 62.02 N ATOM 1146 CA VAL A 603 11.107 -52.865 -12.585 1.00 74.30 C ATOM 1147 C VAL A 603 11.129 -53.412 -14.021 1.00 51.22 C ATOM 1148 O VAL A 603 10.544 -52.813 -14.923 1.00 21.31 O ATOM 1149 CB VAL A 603 9.918 -53.474 -11.771 1.00 35.23 C ATOM 1150 CG1 VAL A 603 10.070 -53.152 -10.264 1.00 41.02 C ATOM 1151 CG2 VAL A 603 8.610 -52.959 -12.238 1.00 4.23 C ATOM 0 H VAL A 603 10.088 -51.034 -12.696 1.00 62.02 H new ATOM 0 HA VAL A 603 12.031 -53.160 -12.087 1.00 74.30 H new ATOM 0 HB VAL A 603 9.946 -54.552 -11.928 1.00 35.23 H new ATOM 0 HG11 VAL A 603 9.234 -53.584 -9.714 1.00 41.02 H new ATOM 0 HG12 VAL A 603 11.004 -53.574 -9.894 1.00 41.02 H new ATOM 0 HG13 VAL A 603 10.079 -52.071 -10.122 1.00 41.02 H new ATOM 0 HG21 VAL A 603 7.811 -53.406 -11.647 1.00 4.23 H new ATOM 0 HG22 VAL A 603 8.583 -51.875 -12.123 1.00 4.23 H new ATOM 0 HG23 VAL A 603 8.472 -53.216 -13.288 1.00 4.23 H new ATOM 1295 N GLU A 612 2.692 -47.240 -20.500 1.00 74.41 N ATOM 1296 CA GLU A 612 2.219 -46.791 -19.193 1.00 31.23 C ATOM 1297 C GLU A 612 2.932 -45.523 -18.739 1.00 35.11 C ATOM 1298 O GLU A 612 3.981 -45.146 -19.274 1.00 63.22 O ATOM 1299 CB GLU A 612 2.412 -47.903 -18.158 1.00 72.14 C ATOM 1300 CG GLU A 612 1.503 -49.113 -18.391 1.00 15.31 C ATOM 1301 CD GLU A 612 0.007 -48.787 -18.270 1.00 24.30 C ATOM 1302 OE1 GLU A 612 -0.593 -48.263 -19.235 1.00 4.01 O ATOM 1303 OE2 GLU A 612 -0.606 -49.174 -17.254 1.00 54.45 O ATOM 0 HA GLU A 612 1.158 -46.558 -19.284 1.00 31.23 H new ATOM 0 HB2 GLU A 612 3.452 -48.230 -18.176 1.00 72.14 H new ATOM 0 HB3 GLU A 612 2.221 -47.501 -17.163 1.00 72.14 H new ATOM 0 HG2 GLU A 612 1.699 -49.519 -19.383 1.00 15.31 H new ATOM 0 HG3 GLU A 612 1.756 -49.892 -17.672 1.00 15.31 H new ATOM 1310 N ASN A 613 2.311 -44.815 -17.805 1.00 0.32 N ATOM 1311 CA ASN A 613 2.782 -43.507 -17.396 1.00 54.12 C ATOM 1312 C ASN A 613 2.508 -43.217 -15.922 1.00 15.32 C ATOM 1313 O ASN A 613 1.544 -43.707 -15.331 1.00 42.22 O ATOM 1314 CB ASN A 613 2.111 -42.455 -18.283 1.00 23.25 C ATOM 1315 CG ASN A 613 1.076 -41.650 -17.557 1.00 41.10 C ATOM 1316 OD1 ASN A 613 -0.035 -42.085 -17.317 1.00 11.34 O ATOM 1317 ND2 ASN A 613 1.435 -40.457 -17.227 1.00 63.23 N ATOM 0 H ASN A 613 1.474 -45.131 -17.316 1.00 0.32 H new ATOM 0 HA ASN A 613 3.865 -43.478 -17.515 1.00 54.12 H new ATOM 0 HB2 ASN A 613 2.872 -41.784 -18.680 1.00 23.25 H new ATOM 0 HB3 ASN A 613 1.646 -42.950 -19.136 1.00 23.25 H new ATOM 0 HD21 ASN A 613 0.779 -39.841 -16.747 1.00 63.23 H new ATOM 0 HD22 ASN A 613 2.376 -40.129 -17.446 1.00 63.23 H new ATOM 1324 N PHE A 614 3.358 -42.390 -15.338 1.00 30.23 N ATOM 1325 CA PHE A 614 3.207 -41.979 -13.952 1.00 13.13 C ATOM 1326 C PHE A 614 3.831 -40.606 -13.809 1.00 32.03 C ATOM 1327 O PHE A 614 4.507 -40.142 -14.707 1.00 50.11 O ATOM 1328 CB PHE A 614 3.885 -42.987 -13.014 1.00 31.51 C ATOM 1329 CG PHE A 614 5.394 -42.928 -13.026 1.00 3.42 C ATOM 1330 CD1 PHE A 614 6.070 -42.036 -12.171 1.00 62.43 C ATOM 1331 CD2 PHE A 614 6.149 -43.781 -13.852 1.00 12.33 C ATOM 1332 CE1 PHE A 614 7.476 -41.996 -12.122 1.00 34.53 C ATOM 1333 CE2 PHE A 614 7.568 -43.748 -13.810 1.00 11.43 C ATOM 1334 CZ PHE A 614 8.223 -42.853 -12.934 1.00 53.43 C ATOM 0 H PHE A 614 4.168 -41.986 -15.808 1.00 30.23 H new ATOM 0 HA PHE A 614 2.152 -41.942 -13.679 1.00 13.13 H new ATOM 0 HB2 PHE A 614 3.534 -42.812 -11.997 1.00 31.51 H new ATOM 0 HB3 PHE A 614 3.570 -43.993 -13.292 1.00 31.51 H new ATOM 0 HD1 PHE A 614 5.499 -41.370 -11.541 1.00 62.43 H new ATOM 0 HD2 PHE A 614 5.647 -44.464 -14.521 1.00 12.33 H new ATOM 0 HE1 PHE A 614 7.976 -41.305 -11.459 1.00 34.53 H new ATOM 0 HE2 PHE A 614 8.145 -44.404 -14.445 1.00 11.43 H new ATOM 0 HZ PHE A 614 9.302 -42.832 -12.892 1.00 53.43 H new ATOM 1344 N PHE A 615 3.625 -39.956 -12.682 1.00 51.42 N ATOM 1345 CA PHE A 615 4.250 -38.673 -12.409 1.00 55.42 C ATOM 1346 C PHE A 615 4.698 -38.682 -10.963 1.00 2.35 C ATOM 1347 O PHE A 615 4.349 -39.575 -10.224 1.00 15.10 O ATOM 1348 CB PHE A 615 3.285 -37.501 -12.651 1.00 50.32 C ATOM 1349 CG PHE A 615 1.867 -37.908 -12.975 1.00 32.13 C ATOM 1350 CD1 PHE A 615 1.531 -38.387 -14.251 1.00 40.22 C ATOM 1351 CD2 PHE A 615 0.847 -37.775 -12.014 1.00 22.34 C ATOM 1352 CE1 PHE A 615 0.207 -38.754 -14.562 1.00 30.31 C ATOM 1353 CE2 PHE A 615 -0.488 -38.142 -12.317 1.00 15.12 C ATOM 1354 CZ PHE A 615 -0.803 -38.638 -13.593 1.00 71.42 C ATOM 0 H PHE A 615 3.024 -40.297 -11.932 1.00 51.42 H new ATOM 0 HA PHE A 615 5.094 -38.533 -13.085 1.00 55.42 H new ATOM 0 HB2 PHE A 615 3.273 -36.869 -11.763 1.00 50.32 H new ATOM 0 HB3 PHE A 615 3.671 -36.894 -13.470 1.00 50.32 H new ATOM 0 HD1 PHE A 615 2.299 -38.475 -15.005 1.00 40.22 H new ATOM 0 HD2 PHE A 615 1.085 -37.389 -11.034 1.00 22.34 H new ATOM 0 HE1 PHE A 615 -0.032 -39.125 -15.548 1.00 30.31 H new ATOM 0 HE2 PHE A 615 -1.261 -38.041 -11.569 1.00 15.12 H new ATOM 0 HZ PHE A 615 -1.816 -38.929 -13.828 1.00 71.42 H new ATOM 1364 N ILE A 616 5.454 -37.684 -10.534 1.00 62.23 N ATOM 1365 CA ILE A 616 5.860 -37.589 -9.134 1.00 0.23 C ATOM 1366 C ILE A 616 5.493 -36.199 -8.701 1.00 53.30 C ATOM 1367 O ILE A 616 5.954 -35.244 -9.294 1.00 22.23 O ATOM 1368 CB ILE A 616 7.395 -37.752 -8.952 1.00 20.52 C ATOM 1369 CG1 ILE A 616 7.947 -38.876 -9.845 1.00 62.54 C ATOM 1370 CG2 ILE A 616 7.749 -38.027 -7.466 1.00 20.43 C ATOM 1371 CD1 ILE A 616 9.439 -38.908 -9.853 1.00 54.25 C ATOM 0 H ILE A 616 5.799 -36.930 -11.128 1.00 62.23 H new ATOM 0 HA ILE A 616 5.375 -38.377 -8.558 1.00 0.23 H new ATOM 0 HB ILE A 616 7.862 -36.815 -9.255 1.00 20.52 H new ATOM 0 HG12 ILE A 616 7.567 -39.836 -9.495 1.00 62.54 H new ATOM 0 HG13 ILE A 616 7.583 -38.741 -10.863 1.00 62.54 H new ATOM 0 HG21 ILE A 616 8.829 -38.137 -7.364 1.00 20.43 H new ATOM 0 HG22 ILE A 616 7.410 -37.194 -6.851 1.00 20.43 H new ATOM 0 HG23 ILE A 616 7.258 -38.943 -7.139 1.00 20.43 H new ATOM 0 HD11 ILE A 616 9.782 -39.718 -10.497 1.00 54.25 H new ATOM 0 HD12 ILE A 616 9.821 -37.959 -10.229 1.00 54.25 H new ATOM 0 HD13 ILE A 616 9.805 -39.071 -8.839 1.00 54.25 H new ATOM 1383 N ALA A 617 4.645 -36.078 -7.698 1.00 30.25 N ATOM 1384 CA ALA A 617 4.226 -34.770 -7.218 1.00 14.45 C ATOM 1385 C ALA A 617 4.842 -34.573 -5.842 1.00 61.24 C ATOM 1386 O ALA A 617 5.090 -35.537 -5.105 1.00 64.03 O ATOM 1387 CB ALA A 617 2.690 -34.695 -7.145 1.00 13.44 C ATOM 0 H ALA A 617 4.232 -36.866 -7.199 1.00 30.25 H new ATOM 0 HA ALA A 617 4.558 -33.984 -7.897 1.00 14.45 H new ATOM 0 HB1 ALA A 617 2.391 -33.711 -6.784 1.00 13.44 H new ATOM 0 HB2 ALA A 617 2.270 -34.861 -8.137 1.00 13.44 H new ATOM 0 HB3 ALA A 617 2.320 -35.460 -6.462 1.00 13.44 H new ATOM 1393 N LEU A 618 5.087 -33.324 -5.507 1.00 2.44 N ATOM 1394 CA LEU A 618 5.646 -32.968 -4.215 1.00 14.11 C ATOM 1395 C LEU A 618 4.506 -32.852 -3.214 1.00 60.25 C ATOM 1396 O LEU A 618 3.400 -32.470 -3.577 1.00 55.24 O ATOM 1397 CB LEU A 618 6.413 -31.653 -4.340 1.00 22.11 C ATOM 1398 CG LEU A 618 7.594 -31.727 -5.327 1.00 71.52 C ATOM 1399 CD1 LEU A 618 8.124 -30.343 -5.610 1.00 1.04 C ATOM 1400 CD2 LEU A 618 8.707 -32.624 -4.795 1.00 54.43 C ATOM 0 H LEU A 618 4.906 -32.528 -6.118 1.00 2.44 H new ATOM 0 HA LEU A 618 6.343 -33.731 -3.869 1.00 14.11 H new ATOM 0 HB2 LEU A 618 5.727 -30.870 -4.663 1.00 22.11 H new ATOM 0 HB3 LEU A 618 6.787 -31.364 -3.358 1.00 22.11 H new ATOM 0 HG LEU A 618 7.229 -32.164 -6.256 1.00 71.52 H new ATOM 0 HD11 LEU A 618 8.958 -30.409 -6.309 1.00 1.04 H new ATOM 0 HD12 LEU A 618 7.333 -29.733 -6.046 1.00 1.04 H new ATOM 0 HD13 LEU A 618 8.464 -29.887 -4.680 1.00 1.04 H new ATOM 0 HD21 LEU A 618 9.525 -32.655 -5.515 1.00 54.43 H new ATOM 0 HD22 LEU A 618 9.072 -32.228 -3.848 1.00 54.43 H new ATOM 0 HD23 LEU A 618 8.320 -33.632 -4.642 1.00 54.43 H new ATOM 1412 N GLY A 619 4.777 -33.226 -1.972 1.00 62.14 N ATOM 1413 CA GLY A 619 3.761 -33.213 -0.930 1.00 63.24 C ATOM 1414 C GLY A 619 3.416 -31.800 -0.500 1.00 13.13 C ATOM 1415 O GLY A 619 2.462 -31.195 -0.971 1.00 62.25 O ATOM 0 H GLY A 619 5.695 -33.543 -1.661 1.00 62.14 H new ATOM 0 HA2 GLY A 619 2.862 -33.713 -1.292 1.00 63.24 H new ATOM 0 HA3 GLY A 619 4.116 -33.779 -0.069 1.00 63.24 H new ATOM 1419 N GLU A 620 4.240 -31.255 0.379 1.00 32.34 N ATOM 1420 CA GLU A 620 4.105 -29.875 0.825 1.00 71.02 C ATOM 1421 C GLU A 620 5.493 -29.474 1.344 1.00 11.45 C ATOM 1422 O GLU A 620 6.117 -30.197 2.124 1.00 44.14 O ATOM 1423 CB GLU A 620 3.013 -29.702 1.910 1.00 15.30 C ATOM 1424 CG GLU A 620 3.439 -30.079 3.322 1.00 21.00 C ATOM 1425 CD GLU A 620 2.340 -29.945 4.360 1.00 40.13 C ATOM 1426 OE1 GLU A 620 1.449 -29.081 4.206 1.00 61.35 O ATOM 1427 OE2 GLU A 620 2.424 -30.659 5.385 1.00 51.25 O ATOM 0 H GLU A 620 5.021 -31.754 0.804 1.00 32.34 H new ATOM 0 HA GLU A 620 3.779 -29.233 0.007 1.00 71.02 H new ATOM 0 HB2 GLU A 620 2.686 -28.662 1.911 1.00 15.30 H new ATOM 0 HB3 GLU A 620 2.150 -30.307 1.634 1.00 15.30 H new ATOM 0 HG2 GLU A 620 3.797 -31.109 3.319 1.00 21.00 H new ATOM 0 HG3 GLU A 620 4.280 -29.450 3.616 1.00 21.00 H new ATOM 1434 N PRO A 621 6.040 -28.366 0.853 1.00 63.32 N ATOM 1435 CA PRO A 621 7.357 -27.974 1.351 1.00 44.44 C ATOM 1436 C PRO A 621 7.244 -27.392 2.772 1.00 41.13 C ATOM 1437 O PRO A 621 6.333 -26.621 3.066 1.00 10.12 O ATOM 1438 CB PRO A 621 7.805 -26.950 0.310 1.00 44.21 C ATOM 1439 CG PRO A 621 6.516 -26.324 -0.159 1.00 62.20 C ATOM 1440 CD PRO A 621 5.522 -27.437 -0.160 1.00 64.31 C ATOM 0 HA PRO A 621 8.071 -28.791 1.455 1.00 44.44 H new ATOM 0 HB2 PRO A 621 8.476 -26.208 0.742 1.00 44.21 H new ATOM 0 HB3 PRO A 621 8.341 -27.424 -0.512 1.00 44.21 H new ATOM 0 HG2 PRO A 621 6.205 -25.518 0.505 1.00 62.20 H new ATOM 0 HG3 PRO A 621 6.626 -25.893 -1.154 1.00 62.20 H new ATOM 0 HD2 PRO A 621 4.523 -27.082 0.095 1.00 64.31 H new ATOM 0 HD3 PRO A 621 5.452 -27.911 -1.139 1.00 64.31 H new ATOM 1448 N LYS A 622 8.136 -27.801 3.667 1.00 54.43 N ATOM 1449 CA LYS A 622 8.067 -27.398 5.081 1.00 13.50 C ATOM 1450 C LYS A 622 9.398 -26.821 5.523 1.00 14.21 C ATOM 1451 O LYS A 622 10.430 -27.383 5.245 1.00 4.31 O ATOM 1452 CB LYS A 622 7.725 -28.617 5.945 1.00 15.43 C ATOM 1453 CG LYS A 622 6.360 -29.231 5.618 1.00 61.54 C ATOM 1454 CD LYS A 622 6.136 -30.587 6.282 1.00 3.31 C ATOM 1455 CE LYS A 622 6.977 -31.677 5.610 1.00 13.34 C ATOM 1456 NZ LYS A 622 6.610 -33.043 6.090 1.00 31.53 N ATOM 0 H LYS A 622 8.921 -28.414 3.445 1.00 54.43 H new ATOM 0 HA LYS A 622 7.294 -26.639 5.197 1.00 13.50 H new ATOM 0 HB2 LYS A 622 8.497 -29.375 5.813 1.00 15.43 H new ATOM 0 HB3 LYS A 622 7.742 -28.325 6.995 1.00 15.43 H new ATOM 0 HG2 LYS A 622 5.575 -28.545 5.935 1.00 61.54 H new ATOM 0 HG3 LYS A 622 6.269 -29.343 4.538 1.00 61.54 H new ATOM 0 HD2 LYS A 622 6.394 -30.525 7.339 1.00 3.31 H new ATOM 0 HD3 LYS A 622 5.080 -30.852 6.227 1.00 3.31 H new ATOM 0 HE2 LYS A 622 6.842 -31.624 4.530 1.00 13.34 H new ATOM 0 HE3 LYS A 622 8.033 -31.494 5.809 1.00 13.34 H new ATOM 0 HZ1 LYS A 622 7.326 -33.727 5.772 1.00 31.53 H new ATOM 0 HZ2 LYS A 622 6.566 -33.046 7.129 1.00 31.53 H new ATOM 0 HZ3 LYS A 622 5.682 -33.309 5.703 1.00 31.53 H new ATOM 1470 N TRP A 623 9.380 -25.711 6.231 1.00 33.23 N ATOM 1471 CA TRP A 623 10.611 -25.010 6.603 1.00 65.43 C ATOM 1472 C TRP A 623 11.200 -25.642 7.824 1.00 52.50 C ATOM 1473 O TRP A 623 10.686 -25.450 8.930 1.00 55.15 O ATOM 1474 CB TRP A 623 10.261 -23.574 6.931 1.00 61.33 C ATOM 1475 CG TRP A 623 11.322 -22.595 6.681 1.00 10.11 C ATOM 1476 CD1 TRP A 623 12.534 -22.769 6.096 1.00 24.51 C ATOM 1477 CD2 TRP A 623 11.271 -21.228 7.045 1.00 55.01 C ATOM 1478 NE1 TRP A 623 13.209 -21.589 6.000 1.00 34.53 N ATOM 1479 CE2 TRP A 623 12.453 -20.608 6.556 1.00 10.25 C ATOM 1480 CE3 TRP A 623 10.364 -20.472 7.788 1.00 64.43 C ATOM 1481 CZ2 TRP A 623 12.704 -19.234 6.725 1.00 35.30 C ATOM 1482 CZ3 TRP A 623 10.622 -19.151 8.020 1.00 43.20 C ATOM 1483 CH2 TRP A 623 11.779 -18.500 7.449 1.00 53.13 C ATOM 0 H TRP A 623 8.526 -25.266 6.566 1.00 33.23 H new ATOM 0 HA TRP A 623 11.326 -25.060 5.782 1.00 65.43 H new ATOM 0 HB2 TRP A 623 9.384 -23.290 6.350 1.00 61.33 H new ATOM 0 HB3 TRP A 623 9.979 -23.518 7.982 1.00 61.33 H new ATOM 0 HD1 TRP A 623 12.914 -23.719 5.751 1.00 24.51 H new ATOM 0 HE1 TRP A 623 14.130 -21.464 5.580 1.00 34.53 H new ATOM 0 HE3 TRP A 623 9.465 -20.928 8.177 1.00 64.43 H new ATOM 0 HZ2 TRP A 623 13.584 -18.769 6.306 1.00 35.30 H new ATOM 0 HZ3 TRP A 623 9.948 -18.582 8.643 1.00 43.20 H new ATOM 0 HH2 TRP A 623 11.923 -17.439 7.587 1.00 53.13 H new ATOM 1494 N MET A 624 12.309 -26.343 7.671 1.00 63.54 N ATOM 1495 CA MET A 624 13.029 -26.661 8.858 1.00 61.43 C ATOM 1496 C MET A 624 14.465 -26.191 8.838 1.00 64.33 C ATOM 1497 O MET A 624 15.442 -26.927 8.932 1.00 64.21 O ATOM 1498 CB MET A 624 13.245 -28.118 8.681 1.00 45.45 C ATOM 1499 CG MET A 624 12.048 -29.008 8.385 1.00 52.14 C ATOM 1500 SD MET A 624 10.976 -29.299 9.772 1.00 21.00 S ATOM 1501 CE MET A 624 10.108 -30.705 9.115 1.00 12.33 C ATOM 0 H MET A 624 12.700 -26.678 6.791 1.00 63.54 H new ATOM 0 HA MET A 624 12.500 -26.260 9.723 1.00 61.43 H new ATOM 0 HB2 MET A 624 13.961 -28.249 7.870 1.00 45.45 H new ATOM 0 HB3 MET A 624 13.718 -28.494 9.588 1.00 45.45 H new ATOM 0 HG2 MET A 624 11.466 -28.555 7.582 1.00 52.14 H new ATOM 0 HG3 MET A 624 12.409 -29.968 8.015 1.00 52.14 H new ATOM 0 HE1 MET A 624 9.373 -31.051 9.842 1.00 12.33 H new ATOM 0 HE2 MET A 624 9.600 -30.421 8.193 1.00 12.33 H new ATOM 0 HE3 MET A 624 10.818 -31.506 8.907 1.00 12.33 H new ATOM 1511 N GLU A 625 14.502 -24.951 9.157 1.00 41.43 N ATOM 1512 CA GLU A 625 15.524 -24.261 9.884 1.00 30.42 C ATOM 1513 C GLU A 625 14.720 -23.173 10.488 1.00 35.03 C ATOM 1514 O GLU A 625 14.958 -22.173 9.994 1.00 2.54 O ATOM 1515 CB GLU A 625 16.414 -23.699 8.772 1.00 14.43 C ATOM 1516 CG GLU A 625 17.525 -22.690 9.108 1.00 60.01 C ATOM 1517 CD GLU A 625 18.851 -23.044 8.464 1.00 4.41 C ATOM 1518 OE1 GLU A 625 18.899 -23.124 7.215 1.00 12.33 O ATOM 1519 OE2 GLU A 625 19.843 -23.230 9.188 1.00 42.45 O ATOM 0 H GLU A 625 13.744 -24.322 8.892 1.00 41.43 H new ATOM 0 HA GLU A 625 16.121 -24.808 10.614 1.00 30.42 H new ATOM 0 HB2 GLU A 625 16.886 -24.547 8.276 1.00 14.43 H new ATOM 0 HB3 GLU A 625 15.758 -23.227 8.041 1.00 14.43 H new ATOM 0 HG2 GLU A 625 17.220 -21.697 8.779 1.00 60.01 H new ATOM 0 HG3 GLU A 625 17.652 -22.643 10.190 1.00 60.01 H new ATOM 1526 N ARG A 626 14.106 -23.160 11.656 1.00 32.24 N ATOM 1527 CA ARG A 626 13.340 -21.938 12.133 1.00 44.32 C ATOM 1528 C ARG A 626 12.420 -22.374 13.244 1.00 54.21 C ATOM 1529 O ARG A 626 12.413 -21.790 14.313 1.00 54.43 O ATOM 1530 CB ARG A 626 12.384 -21.146 11.085 1.00 54.25 C ATOM 1531 CG ARG A 626 13.003 -20.384 9.924 1.00 55.44 C ATOM 1532 CD ARG A 626 14.062 -19.335 10.336 1.00 21.44 C ATOM 1533 NE ARG A 626 13.664 -18.545 11.528 1.00 10.42 N ATOM 1534 CZ ARG A 626 12.744 -17.578 11.565 1.00 33.12 C ATOM 1535 NH1 ARG A 626 12.055 -17.211 10.515 1.00 5.34 N ATOM 1536 NH2 ARG A 626 12.506 -16.975 12.698 1.00 14.11 N ATOM 0 H ARG A 626 14.099 -23.945 12.307 1.00 32.24 H new ATOM 0 HA ARG A 626 14.138 -21.241 12.388 1.00 44.32 H new ATOM 0 HB2 ARG A 626 11.691 -21.874 10.663 1.00 54.25 H new ATOM 0 HB3 ARG A 626 11.790 -20.436 11.660 1.00 54.25 H new ATOM 0 HG2 ARG A 626 13.464 -21.098 9.242 1.00 55.44 H new ATOM 0 HG3 ARG A 626 12.209 -19.882 9.371 1.00 55.44 H new ATOM 0 HD2 ARG A 626 15.006 -19.841 10.541 1.00 21.44 H new ATOM 0 HD3 ARG A 626 14.238 -18.658 9.500 1.00 21.44 H new ATOM 0 HE ARG A 626 14.140 -18.762 12.404 1.00 10.42 H new ATOM 0 HH11 ARG A 626 12.210 -17.670 9.617 1.00 5.34 H new ATOM 0 HH12 ARG A 626 11.363 -16.466 10.594 1.00 5.34 H new ATOM 0 HH21 ARG A 626 13.020 -17.245 13.537 1.00 14.11 H new ATOM 0 HH22 ARG A 626 11.807 -16.234 12.744 1.00 14.11 H new ATOM 1916 N GLY A 650 7.291 -17.705 7.097 1.00 4.43 N ATOM 1917 CA GLY A 650 8.200 -17.915 5.973 1.00 14.43 C ATOM 1918 C GLY A 650 7.869 -19.075 5.061 1.00 42.32 C ATOM 1919 O GLY A 650 8.756 -19.577 4.372 1.00 64.44 O ATOM 0 HA2 GLY A 650 8.224 -17.004 5.375 1.00 14.43 H new ATOM 0 HA3 GLY A 650 9.205 -18.064 6.367 1.00 14.43 H new ATOM 1923 N LYS A 651 6.635 -19.561 5.110 1.00 41.11 N ATOM 1924 CA LYS A 651 6.289 -20.833 4.482 1.00 44.21 C ATOM 1925 C LYS A 651 6.563 -20.886 2.978 1.00 30.23 C ATOM 1926 O LYS A 651 6.075 -20.045 2.223 1.00 42.41 O ATOM 1927 CB LYS A 651 4.810 -21.147 4.686 1.00 72.15 C ATOM 1928 CG LYS A 651 4.437 -21.450 6.122 1.00 54.21 C ATOM 1929 CD LYS A 651 3.157 -22.290 6.212 1.00 33.42 C ATOM 1930 CE LYS A 651 1.922 -21.545 5.698 1.00 63.42 C ATOM 1931 NZ LYS A 651 0.692 -22.403 5.837 1.00 74.51 N ATOM 0 H LYS A 651 5.857 -19.095 5.577 1.00 41.11 H new ATOM 0 HA LYS A 651 6.932 -21.566 4.969 1.00 44.21 H new ATOM 0 HB2 LYS A 651 4.218 -20.300 4.339 1.00 72.15 H new ATOM 0 HB3 LYS A 651 4.541 -22.001 4.064 1.00 72.15 H new ATOM 0 HG2 LYS A 651 5.256 -21.982 6.606 1.00 54.21 H new ATOM 0 HG3 LYS A 651 4.298 -20.516 6.666 1.00 54.21 H new ATOM 0 HD2 LYS A 651 3.288 -23.207 5.637 1.00 33.42 H new ATOM 0 HD3 LYS A 651 2.993 -22.584 7.249 1.00 33.42 H new ATOM 0 HE2 LYS A 651 1.791 -20.618 6.256 1.00 63.42 H new ATOM 0 HE3 LYS A 651 2.065 -21.270 4.653 1.00 63.42 H new ATOM 0 HZ1 LYS A 651 -0.136 -21.882 5.484 1.00 74.51 H new ATOM 0 HZ2 LYS A 651 0.813 -23.276 5.285 1.00 74.51 H new ATOM 0 HZ3 LYS A 651 0.548 -22.644 6.838 1.00 74.51 H new ATOM 1945 N PRO A 652 7.304 -21.913 2.529 1.00 52.13 N ATOM 1946 CA PRO A 652 7.492 -22.095 1.089 1.00 45.10 C ATOM 1947 C PRO A 652 6.230 -22.603 0.425 1.00 70.30 C ATOM 1948 O PRO A 652 5.307 -23.076 1.088 1.00 53.14 O ATOM 1949 CB PRO A 652 8.571 -23.169 1.019 1.00 22.01 C ATOM 1950 CG PRO A 652 8.378 -23.943 2.250 1.00 21.31 C ATOM 1951 CD PRO A 652 7.977 -22.983 3.292 1.00 12.31 C ATOM 0 HA PRO A 652 7.750 -21.165 0.582 1.00 45.10 H new ATOM 0 HB2 PRO A 652 8.457 -23.793 0.133 1.00 22.01 H new ATOM 0 HB3 PRO A 652 9.568 -22.731 0.974 1.00 22.01 H new ATOM 0 HG2 PRO A 652 7.613 -24.707 2.112 1.00 21.31 H new ATOM 0 HG3 PRO A 652 9.296 -24.459 2.531 1.00 21.31 H new ATOM 0 HD2 PRO A 652 7.308 -23.438 4.022 1.00 12.31 H new ATOM 0 HD3 PRO A 652 8.838 -22.604 3.842 1.00 12.31 H new ATOM 1959 N VAL A 653 6.227 -22.546 -0.894 1.00 1.13 N ATOM 1960 CA VAL A 653 5.113 -23.058 -1.695 1.00 64.11 C ATOM 1961 C VAL A 653 5.660 -23.778 -2.925 1.00 50.45 C ATOM 1962 O VAL A 653 6.821 -23.613 -3.288 1.00 22.42 O ATOM 1963 CB VAL A 653 4.148 -21.911 -2.161 1.00 2.42 C ATOM 1964 CG1 VAL A 653 3.449 -21.263 -0.954 1.00 4.54 C ATOM 1965 CG2 VAL A 653 4.900 -20.837 -2.955 1.00 43.33 C ATOM 0 H VAL A 653 6.988 -22.148 -1.444 1.00 1.13 H new ATOM 0 HA VAL A 653 4.544 -23.745 -1.068 1.00 64.11 H new ATOM 0 HB VAL A 653 3.398 -22.362 -2.811 1.00 2.42 H new ATOM 0 HG11 VAL A 653 2.785 -20.471 -1.300 1.00 4.54 H new ATOM 0 HG12 VAL A 653 2.868 -22.017 -0.422 1.00 4.54 H new ATOM 0 HG13 VAL A 653 4.198 -20.842 -0.283 1.00 4.54 H new ATOM 0 HG21 VAL A 653 4.203 -20.057 -3.263 1.00 43.33 H new ATOM 0 HG22 VAL A 653 5.679 -20.401 -2.330 1.00 43.33 H new ATOM 0 HG23 VAL A 653 5.353 -21.288 -3.838 1.00 43.33 H new ATOM 1975 N LEU A 654 4.825 -24.583 -3.559 1.00 42.02 N ATOM 1976 CA LEU A 654 5.174 -25.240 -4.806 1.00 34.31 C ATOM 1977 C LEU A 654 5.135 -24.259 -5.978 1.00 33.12 C ATOM 1978 O LEU A 654 4.562 -23.178 -5.874 1.00 71.35 O ATOM 1979 CB LEU A 654 4.182 -26.380 -5.030 1.00 2.43 C ATOM 1980 CG LEU A 654 4.177 -27.384 -3.867 1.00 20.22 C ATOM 1981 CD1 LEU A 654 3.137 -28.442 -4.061 1.00 3.13 C ATOM 1982 CD2 LEU A 654 5.554 -27.996 -3.710 1.00 22.35 C ATOM 0 H LEU A 654 3.886 -24.799 -3.224 1.00 42.02 H new ATOM 0 HA LEU A 654 6.191 -25.627 -4.746 1.00 34.31 H new ATOM 0 HB2 LEU A 654 3.181 -25.968 -5.156 1.00 2.43 H new ATOM 0 HB3 LEU A 654 4.432 -26.900 -5.955 1.00 2.43 H new ATOM 0 HG LEU A 654 3.923 -26.849 -2.952 1.00 20.22 H new ATOM 0 HD11 LEU A 654 3.162 -29.135 -3.220 1.00 3.13 H new ATOM 0 HD12 LEU A 654 2.153 -27.978 -4.120 1.00 3.13 H new ATOM 0 HD13 LEU A 654 3.338 -28.985 -4.984 1.00 3.13 H new ATOM 0 HD21 LEU A 654 5.544 -28.707 -2.884 1.00 22.35 H new ATOM 0 HD22 LEU A 654 5.830 -28.512 -4.630 1.00 22.35 H new ATOM 0 HD23 LEU A 654 6.280 -27.210 -3.503 1.00 22.35 H new ATOM 1994 N GLY A 655 5.785 -24.638 -7.067 1.00 62.53 N ATOM 1995 CA GLY A 655 5.899 -23.785 -8.240 1.00 3.11 C ATOM 1996 C GLY A 655 4.892 -24.047 -9.320 1.00 31.41 C ATOM 1997 O GLY A 655 3.803 -24.562 -9.102 1.00 24.15 O ATOM 0 H GLY A 655 6.247 -25.542 -7.163 1.00 62.53 H new ATOM 0 HA2 GLY A 655 5.807 -22.746 -7.924 1.00 3.11 H new ATOM 0 HA3 GLY A 655 6.898 -23.904 -8.660 1.00 3.11 H new ATOM 2001 N GLU A 656 5.307 -23.689 -10.518 1.00 61.15 N ATOM 2002 CA GLU A 656 4.504 -23.834 -11.716 1.00 2.14 C ATOM 2003 C GLU A 656 4.527 -25.287 -12.188 1.00 34.21 C ATOM 2004 O GLU A 656 3.578 -25.761 -12.798 1.00 10.31 O ATOM 2005 CB GLU A 656 5.071 -22.921 -12.813 1.00 75.14 C ATOM 2006 CG GLU A 656 5.307 -21.458 -12.375 1.00 23.55 C ATOM 2007 CD GLU A 656 6.638 -21.241 -11.616 1.00 65.35 C ATOM 2008 OE1 GLU A 656 7.438 -22.205 -11.487 1.00 43.22 O ATOM 2009 OE2 GLU A 656 6.858 -20.123 -11.114 1.00 2.24 O ATOM 0 H GLU A 656 6.227 -23.282 -10.690 1.00 61.15 H new ATOM 0 HA GLU A 656 3.473 -23.552 -11.500 1.00 2.14 H new ATOM 0 HB2 GLU A 656 6.015 -23.338 -13.162 1.00 75.14 H new ATOM 0 HB3 GLU A 656 4.387 -22.926 -13.661 1.00 75.14 H new ATOM 0 HG2 GLU A 656 5.294 -20.818 -13.257 1.00 23.55 H new ATOM 0 HG3 GLU A 656 4.481 -21.141 -11.739 1.00 23.55 H new ATOM 2016 N HIS A 657 5.626 -25.985 -11.900 1.00 53.23 N ATOM 2017 CA HIS A 657 5.791 -27.394 -12.307 1.00 45.31 C ATOM 2018 C HIS A 657 6.344 -28.307 -11.211 1.00 31.31 C ATOM 2019 O HIS A 657 7.403 -28.887 -11.371 1.00 40.32 O ATOM 2020 CB HIS A 657 6.747 -27.467 -13.500 1.00 63.42 C ATOM 2021 CG HIS A 657 6.427 -26.490 -14.578 1.00 11.32 C ATOM 2022 ND1 HIS A 657 5.554 -26.763 -15.628 1.00 12.02 N ATOM 2023 CD2 HIS A 657 6.829 -25.209 -14.780 1.00 73.35 C ATOM 2024 CE1 HIS A 657 5.473 -25.691 -16.406 1.00 45.34 C ATOM 2025 NE2 HIS A 657 6.234 -24.747 -15.913 1.00 72.24 N ATOM 0 H HIS A 657 6.420 -25.603 -11.386 1.00 53.23 H new ATOM 0 HA HIS A 657 4.790 -27.749 -12.551 1.00 45.31 H new ATOM 0 HB2 HIS A 657 7.765 -27.291 -13.151 1.00 63.42 H new ATOM 0 HB3 HIS A 657 6.722 -28.475 -13.915 1.00 63.42 H new ATOM 0 HD1 HIS A 657 5.058 -27.642 -15.775 1.00 12.02 H new ATOM 0 HD2 HIS A 657 7.506 -24.652 -14.149 1.00 73.35 H new ATOM 0 HE1 HIS A 657 4.875 -25.610 -17.302 1.00 45.34 H new ATOM 2033 N PRO A 658 5.646 -28.456 -10.075 1.00 23.30 N ATOM 2034 CA PRO A 658 6.137 -29.332 -8.998 1.00 74.40 C ATOM 2035 C PRO A 658 5.913 -30.828 -9.267 1.00 13.34 C ATOM 2036 O PRO A 658 5.648 -31.610 -8.347 1.00 71.01 O ATOM 2037 CB PRO A 658 5.309 -28.867 -7.811 1.00 12.41 C ATOM 2038 CG PRO A 658 4.013 -28.496 -8.415 1.00 71.22 C ATOM 2039 CD PRO A 658 4.380 -27.810 -9.693 1.00 34.53 C ATOM 0 HA PRO A 658 7.216 -29.255 -8.866 1.00 74.40 H new ATOM 0 HB2 PRO A 658 5.194 -29.657 -7.069 1.00 12.41 H new ATOM 0 HB3 PRO A 658 5.773 -28.020 -7.306 1.00 12.41 H new ATOM 0 HG2 PRO A 658 3.395 -29.374 -8.599 1.00 71.22 H new ATOM 0 HG3 PRO A 658 3.443 -27.837 -7.760 1.00 71.22 H new ATOM 0 HD2 PRO A 658 3.614 -27.945 -10.456 1.00 34.53 H new ATOM 0 HD3 PRO A 658 4.503 -26.736 -9.552 1.00 34.53 H new ATOM 2047 N LYS A 659 5.953 -31.194 -10.539 1.00 13.12 N ATOM 2048 CA LYS A 659 5.658 -32.541 -10.990 1.00 64.12 C ATOM 2049 C LYS A 659 6.275 -32.768 -12.357 1.00 23.10 C ATOM 2050 O LYS A 659 6.443 -31.826 -13.114 1.00 51.45 O ATOM 2051 CB LYS A 659 4.151 -32.703 -11.075 1.00 73.11 C ATOM 2052 CG LYS A 659 3.679 -34.080 -11.533 1.00 14.14 C ATOM 2053 CD LYS A 659 2.227 -34.328 -11.190 1.00 55.24 C ATOM 2054 CE LYS A 659 1.330 -33.295 -11.767 1.00 3.30 C ATOM 2055 NZ LYS A 659 1.431 -33.225 -13.298 1.00 12.30 N ATOM 0 H LYS A 659 6.195 -30.554 -11.295 1.00 13.12 H new ATOM 0 HA LYS A 659 6.072 -33.268 -10.291 1.00 64.12 H new ATOM 0 HB2 LYS A 659 3.722 -32.495 -10.095 1.00 73.11 H new ATOM 0 HB3 LYS A 659 3.757 -31.953 -11.761 1.00 73.11 H new ATOM 0 HG2 LYS A 659 3.817 -34.170 -12.611 1.00 14.14 H new ATOM 0 HG3 LYS A 659 4.297 -34.848 -11.068 1.00 14.14 H new ATOM 0 HD2 LYS A 659 1.931 -35.310 -11.558 1.00 55.24 H new ATOM 0 HD3 LYS A 659 2.109 -34.345 -10.107 1.00 55.24 H new ATOM 0 HE2 LYS A 659 0.300 -33.511 -11.483 1.00 3.30 H new ATOM 0 HE3 LYS A 659 1.580 -32.322 -11.344 1.00 3.30 H new ATOM 0 HZ1 LYS A 659 0.705 -32.577 -13.665 1.00 12.30 H new ATOM 0 HZ2 LYS A 659 2.373 -32.878 -13.568 1.00 12.30 H new ATOM 0 HZ3 LYS A 659 1.283 -34.173 -13.699 1.00 12.30 H new ATOM 2069 N LEU A 660 6.608 -34.018 -12.644 1.00 72.44 N ATOM 2070 CA LEU A 660 7.132 -34.433 -13.939 1.00 73.10 C ATOM 2071 C LEU A 660 6.395 -35.695 -14.350 1.00 31.41 C ATOM 2072 O LEU A 660 6.393 -36.658 -13.592 1.00 24.43 O ATOM 2073 CB LEU A 660 8.637 -34.723 -13.825 1.00 31.24 C ATOM 2074 CG LEU A 660 9.309 -35.361 -15.041 1.00 22.53 C ATOM 2075 CD1 LEU A 660 9.005 -34.578 -16.282 1.00 3.24 C ATOM 2076 CD2 LEU A 660 10.813 -35.454 -14.827 1.00 70.44 C ATOM 0 H LEU A 660 6.521 -34.784 -11.976 1.00 72.44 H new ATOM 0 HA LEU A 660 6.988 -33.646 -14.680 1.00 73.10 H new ATOM 0 HB2 LEU A 660 9.148 -33.785 -13.607 1.00 31.24 H new ATOM 0 HB3 LEU A 660 8.793 -35.378 -12.968 1.00 31.24 H new ATOM 0 HG LEU A 660 8.912 -36.369 -15.165 1.00 22.53 H new ATOM 0 HD11 LEU A 660 9.492 -35.047 -17.137 1.00 3.24 H new ATOM 0 HD12 LEU A 660 7.927 -34.557 -16.444 1.00 3.24 H new ATOM 0 HD13 LEU A 660 9.374 -33.559 -16.169 1.00 3.24 H new ATOM 0 HD21 LEU A 660 11.277 -35.910 -15.701 1.00 70.44 H new ATOM 0 HD22 LEU A 660 11.222 -34.455 -14.679 1.00 70.44 H new ATOM 0 HD23 LEU A 660 11.018 -36.064 -13.947 1.00 70.44 H new ATOM 2088 N GLU A 661 5.771 -35.686 -15.518 1.00 53.51 N ATOM 2089 CA GLU A 661 5.098 -36.867 -16.065 1.00 20.33 C ATOM 2090 C GLU A 661 6.079 -37.703 -16.872 1.00 30.33 C ATOM 2091 O GLU A 661 6.726 -37.195 -17.767 1.00 31.40 O ATOM 2092 CB GLU A 661 3.949 -36.439 -16.970 1.00 41.03 C ATOM 2093 CG GLU A 661 3.214 -37.599 -17.590 1.00 61.42 C ATOM 2094 CD GLU A 661 1.847 -37.187 -18.105 1.00 51.44 C ATOM 2095 OE1 GLU A 661 0.996 -36.791 -17.276 1.00 32.42 O ATOM 2096 OE2 GLU A 661 1.625 -37.242 -19.332 1.00 62.23 O ATOM 0 H GLU A 661 5.714 -34.863 -16.118 1.00 53.51 H new ATOM 0 HA GLU A 661 4.711 -37.460 -15.236 1.00 20.33 H new ATOM 0 HB2 GLU A 661 3.245 -35.839 -16.393 1.00 41.03 H new ATOM 0 HB3 GLU A 661 4.339 -35.800 -17.762 1.00 41.03 H new ATOM 0 HG2 GLU A 661 3.804 -38.007 -18.411 1.00 61.42 H new ATOM 0 HG3 GLU A 661 3.101 -38.394 -16.853 1.00 61.42 H new ATOM 2103 N VAL A 662 6.173 -38.977 -16.539 1.00 43.12 N ATOM 2104 CA VAL A 662 7.092 -39.924 -17.168 1.00 63.25 C ATOM 2105 C VAL A 662 6.253 -40.975 -17.853 1.00 15.33 C ATOM 2106 O VAL A 662 5.246 -41.424 -17.320 1.00 63.33 O ATOM 2107 CB VAL A 662 7.985 -40.634 -16.105 1.00 40.35 C ATOM 2108 CG1 VAL A 662 9.209 -41.322 -16.670 1.00 21.24 C ATOM 2109 CG2 VAL A 662 8.230 -39.768 -14.846 1.00 54.03 C ATOM 0 H VAL A 662 5.601 -39.398 -15.807 1.00 43.12 H new ATOM 0 HA VAL A 662 7.739 -39.391 -17.864 1.00 63.25 H new ATOM 0 HB VAL A 662 7.393 -41.475 -15.743 1.00 40.35 H new ATOM 0 HG11 VAL A 662 9.770 -41.788 -15.860 1.00 21.24 H new ATOM 0 HG12 VAL A 662 8.900 -42.085 -17.384 1.00 21.24 H new ATOM 0 HG13 VAL A 662 9.839 -40.588 -17.173 1.00 21.24 H new ATOM 0 HG21 VAL A 662 8.858 -40.316 -14.144 1.00 54.03 H new ATOM 0 HG22 VAL A 662 8.729 -38.842 -15.133 1.00 54.03 H new ATOM 0 HG23 VAL A 662 7.276 -39.534 -14.374 1.00 54.03 H new ATOM 2119 N ILE A 663 6.695 -41.369 -19.028 1.00 34.12 N ATOM 2120 CA ILE A 663 6.076 -42.437 -19.788 1.00 4.32 C ATOM 2121 C ILE A 663 7.176 -43.474 -19.853 1.00 10.44 C ATOM 2122 O ILE A 663 8.337 -43.112 -20.062 1.00 62.31 O ATOM 2123 CB ILE A 663 5.704 -41.960 -21.214 1.00 42.13 C ATOM 2124 CG1 ILE A 663 4.569 -40.906 -21.154 1.00 23.21 C ATOM 2125 CG2 ILE A 663 5.382 -43.157 -22.124 1.00 42.11 C ATOM 2126 CD1 ILE A 663 3.164 -41.396 -21.592 1.00 12.42 C ATOM 0 H ILE A 663 7.504 -40.953 -19.489 1.00 34.12 H new ATOM 0 HA ILE A 663 5.150 -42.801 -19.343 1.00 4.32 H new ATOM 0 HB ILE A 663 6.563 -41.462 -21.664 1.00 42.13 H new ATOM 0 HG12 ILE A 663 4.500 -40.533 -20.132 1.00 23.21 H new ATOM 0 HG13 ILE A 663 4.850 -40.062 -21.783 1.00 23.21 H new ATOM 0 HG21 ILE A 663 5.124 -42.798 -23.120 1.00 42.11 H new ATOM 0 HG22 ILE A 663 6.253 -43.810 -22.188 1.00 42.11 H new ATOM 0 HG23 ILE A 663 4.541 -43.713 -21.710 1.00 42.11 H new ATOM 0 HD11 ILE A 663 2.451 -40.576 -21.509 1.00 12.42 H new ATOM 0 HD12 ILE A 663 3.204 -41.739 -22.626 1.00 12.42 H new ATOM 0 HD13 ILE A 663 2.848 -42.218 -20.949 1.00 12.42 H new ATOM 2138 N ILE A 664 6.836 -44.732 -19.653 1.00 32.54 N ATOM 2139 CA ILE A 664 7.804 -45.815 -19.776 1.00 3.35 C ATOM 2140 C ILE A 664 7.642 -46.379 -21.195 1.00 12.15 C ATOM 2141 O ILE A 664 6.611 -46.959 -21.525 1.00 14.30 O ATOM 2142 CB ILE A 664 7.614 -46.884 -18.661 1.00 72.03 C ATOM 2143 CG1 ILE A 664 7.765 -46.193 -17.282 1.00 3.01 C ATOM 2144 CG2 ILE A 664 8.661 -48.025 -18.822 1.00 1.44 C ATOM 2145 CD1 ILE A 664 7.412 -47.046 -16.071 1.00 3.32 C ATOM 0 H ILE A 664 5.894 -45.035 -19.404 1.00 32.54 H new ATOM 0 HA ILE A 664 8.824 -45.459 -19.635 1.00 3.35 H new ATOM 0 HB ILE A 664 6.622 -47.329 -18.739 1.00 72.03 H new ATOM 0 HG12 ILE A 664 8.796 -45.855 -17.177 1.00 3.01 H new ATOM 0 HG13 ILE A 664 7.136 -45.303 -17.272 1.00 3.01 H new ATOM 0 HG21 ILE A 664 8.516 -48.765 -18.035 1.00 1.44 H new ATOM 0 HG22 ILE A 664 8.535 -48.500 -19.795 1.00 1.44 H new ATOM 0 HG23 ILE A 664 9.666 -47.610 -18.749 1.00 1.44 H new ATOM 0 HD11 ILE A 664 7.554 -46.463 -15.161 1.00 3.32 H new ATOM 0 HD12 ILE A 664 6.371 -47.363 -16.140 1.00 3.32 H new ATOM 0 HD13 ILE A 664 8.058 -47.924 -16.044 1.00 3.32 H new