USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 533 THR OG1 : rot -160:sc= 0.417 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.0272 USER MOD Single : A 538 THR OG1 : rot 70:sc= 0.0535 USER MOD Single : A 540 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 542 SER OG : rot 42:sc= 1.11 USER MOD Single : A 544 SER OG : rot -22:sc= 0.42 USER MOD Single : A 548 MET CE :methyl 140:sc= -0.471 (180deg=-3.78!) USER MOD Single : A 551 LYS NZ :NH3+ -144:sc= 0.634 (180deg=0.275) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 561 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 568 THR OG1 : rot 64:sc= 0.385 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 150:sc= 0.903 (180deg=-0.156) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -107:sc= 1.08 (180deg=-0.561) USER MOD Single : A 591 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Single : A 594 THR OG1 : rot -150:sc= -0.949 USER MOD Single : A 596 LYS NZ :NH3+ -178:sc= 0.585 (180deg=0.584) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -179:sc= 0.866 (180deg=0.854) USER MOD Single : A 613 ASN :FLIP amide:sc= -0.0503 F(o=-3.8!,f=-0.05) USER MOD Single : A 622 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.17) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.23) USER MOD Single : A 657 HIS : no HE2:sc= 0.0209 K(o=0.021,f=-1.9!) USER MOD Single : A 659 LYS NZ :NH3+ 166:sc= -0.106 (180deg=-0.272) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.752 -18.549 2.439 1.00 61.31 N ATOM 19 CA ALA A 529 11.312 -19.755 1.842 1.00 23.11 C ATOM 20 C ALA A 529 11.055 -19.689 0.324 1.00 20.32 C ATOM 21 O ALA A 529 10.262 -18.868 -0.134 1.00 42.12 O ATOM 22 CB ALA A 529 10.655 -20.966 2.441 1.00 55.53 C ATOM 0 HA ALA A 529 12.383 -19.825 2.034 1.00 23.11 H new ATOM 0 HB1 ALA A 529 11.075 -21.867 1.993 1.00 55.53 H new ATOM 0 HB2 ALA A 529 10.830 -20.980 3.517 1.00 55.53 H new ATOM 0 HB3 ALA A 529 9.583 -20.931 2.248 1.00 55.53 H new ATOM 28 N GLY A 530 11.723 -20.535 -0.454 1.00 24.23 N ATOM 29 CA GLY A 530 11.578 -20.486 -1.901 1.00 41.34 C ATOM 30 C GLY A 530 10.475 -21.346 -2.490 1.00 62.13 C ATOM 31 O GLY A 530 9.915 -22.207 -1.827 1.00 71.44 O ATOM 0 H GLY A 530 12.361 -21.253 -0.111 1.00 24.23 H new ATOM 0 HA2 GLY A 530 11.400 -19.451 -2.193 1.00 41.34 H new ATOM 0 HA3 GLY A 530 12.524 -20.786 -2.351 1.00 41.34 H new ATOM 35 N ILE A 531 10.214 -21.130 -3.772 1.00 51.50 N ATOM 36 CA ILE A 531 9.292 -21.953 -4.557 1.00 23.45 C ATOM 37 C ILE A 531 10.109 -23.140 -5.037 1.00 20.54 C ATOM 38 O ILE A 531 11.279 -22.967 -5.384 1.00 21.35 O ATOM 39 CB ILE A 531 8.727 -21.160 -5.798 1.00 40.24 C ATOM 40 CG1 ILE A 531 7.445 -20.409 -5.409 1.00 74.13 C ATOM 41 CG2 ILE A 531 8.399 -22.078 -6.974 1.00 23.32 C ATOM 42 CD1 ILE A 531 7.657 -19.127 -4.590 1.00 22.51 C ATOM 0 H ILE A 531 10.639 -20.372 -4.306 1.00 51.50 H new ATOM 0 HA ILE A 531 8.434 -22.253 -3.956 1.00 23.45 H new ATOM 0 HB ILE A 531 9.509 -20.465 -6.104 1.00 40.24 H new ATOM 0 HG12 ILE A 531 6.903 -20.153 -6.320 1.00 74.13 H new ATOM 0 HG13 ILE A 531 6.808 -21.084 -4.838 1.00 74.13 H new ATOM 0 HG21 ILE A 531 8.014 -21.484 -7.803 1.00 23.32 H new ATOM 0 HG22 ILE A 531 9.302 -22.600 -7.291 1.00 23.32 H new ATOM 0 HG23 ILE A 531 7.647 -22.806 -6.669 1.00 23.32 H new ATOM 0 HD11 ILE A 531 6.691 -18.673 -4.368 1.00 22.51 H new ATOM 0 HD12 ILE A 531 8.167 -19.371 -3.658 1.00 22.51 H new ATOM 0 HD13 ILE A 531 8.264 -18.426 -5.163 1.00 22.51 H new ATOM 54 N PHE A 532 9.495 -24.315 -5.074 1.00 73.44 N ATOM 55 CA PHE A 532 10.147 -25.532 -5.565 1.00 43.11 C ATOM 56 C PHE A 532 9.391 -26.066 -6.755 1.00 20.54 C ATOM 57 O PHE A 532 8.161 -26.103 -6.756 1.00 22.02 O ATOM 58 CB PHE A 532 10.156 -26.586 -4.479 1.00 12.42 C ATOM 59 CG PHE A 532 11.021 -26.214 -3.314 1.00 11.25 C ATOM 60 CD1 PHE A 532 10.557 -25.327 -2.327 1.00 43.11 C ATOM 61 CD2 PHE A 532 12.334 -26.707 -3.227 1.00 44.53 C ATOM 62 CE1 PHE A 532 11.401 -24.922 -1.275 1.00 12.53 C ATOM 63 CE2 PHE A 532 13.181 -26.313 -2.172 1.00 61.05 C ATOM 64 CZ PHE A 532 12.717 -25.417 -1.199 1.00 42.44 C ATOM 0 H PHE A 532 8.533 -24.456 -4.766 1.00 73.44 H new ATOM 0 HA PHE A 532 11.171 -25.292 -5.852 1.00 43.11 H new ATOM 0 HB2 PHE A 532 9.136 -26.750 -4.130 1.00 12.42 H new ATOM 0 HB3 PHE A 532 10.505 -27.530 -4.898 1.00 12.42 H new ATOM 0 HD1 PHE A 532 9.545 -24.953 -2.376 1.00 43.11 H new ATOM 0 HD2 PHE A 532 12.698 -27.395 -3.976 1.00 44.53 H new ATOM 0 HE1 PHE A 532 11.039 -24.232 -0.527 1.00 12.53 H new ATOM 0 HE2 PHE A 532 14.187 -26.701 -2.113 1.00 61.05 H new ATOM 0 HZ PHE A 532 13.367 -25.107 -0.394 1.00 42.44 H new ATOM 74 N THR A 533 10.127 -26.453 -7.779 1.00 33.03 N ATOM 75 CA THR A 533 9.526 -26.869 -9.032 1.00 5.02 C ATOM 76 C THR A 533 10.523 -27.791 -9.730 1.00 50.42 C ATOM 77 O THR A 533 11.692 -27.831 -9.359 1.00 11.34 O ATOM 78 CB THR A 533 9.195 -25.604 -9.882 1.00 51.41 C ATOM 79 OG1 THR A 533 8.442 -25.973 -11.042 1.00 31.11 O ATOM 80 CG2 THR A 533 10.435 -24.887 -10.318 1.00 23.23 C ATOM 0 H THR A 533 11.146 -26.488 -7.768 1.00 33.03 H new ATOM 0 HA THR A 533 8.591 -27.409 -8.881 1.00 5.02 H new ATOM 0 HB THR A 533 8.611 -24.934 -9.250 1.00 51.41 H new ATOM 0 HG1 THR A 533 8.508 -25.263 -11.714 1.00 31.11 H new ATOM 0 HG21 THR A 533 10.161 -24.012 -10.907 1.00 23.23 H new ATOM 0 HG22 THR A 533 11.000 -24.571 -9.441 1.00 23.23 H new ATOM 0 HG23 THR A 533 11.048 -25.555 -10.923 1.00 23.23 H new ATOM 88 N PHE A 534 10.064 -28.551 -10.707 1.00 53.42 N ATOM 89 CA PHE A 534 10.922 -29.463 -11.449 1.00 53.01 C ATOM 90 C PHE A 534 11.338 -28.808 -12.752 1.00 34.14 C ATOM 91 O PHE A 534 10.826 -27.752 -13.123 1.00 33.41 O ATOM 92 CB PHE A 534 10.182 -30.758 -11.776 1.00 54.14 C ATOM 93 CG PHE A 534 9.864 -31.627 -10.585 1.00 4.21 C ATOM 94 CD1 PHE A 534 10.294 -31.350 -9.266 1.00 73.33 C ATOM 95 CD2 PHE A 534 9.139 -32.780 -10.819 1.00 25.22 C ATOM 96 CE1 PHE A 534 9.961 -32.241 -8.210 1.00 33.34 C ATOM 97 CE2 PHE A 534 8.828 -33.686 -9.800 1.00 10.32 C ATOM 98 CZ PHE A 534 9.205 -33.420 -8.496 1.00 41.21 C ATOM 0 H PHE A 534 9.090 -28.556 -11.010 1.00 53.42 H new ATOM 0 HA PHE A 534 11.793 -29.692 -10.835 1.00 53.01 H new ATOM 0 HB2 PHE A 534 9.251 -30.508 -12.284 1.00 54.14 H new ATOM 0 HB3 PHE A 534 10.783 -31.335 -12.478 1.00 54.14 H new ATOM 0 HD1 PHE A 534 10.875 -30.463 -9.062 1.00 73.33 H new ATOM 0 HD2 PHE A 534 8.801 -32.989 -11.823 1.00 25.22 H new ATOM 0 HE1 PHE A 534 10.277 -32.029 -7.199 1.00 33.34 H new ATOM 0 HE2 PHE A 534 8.293 -34.595 -10.032 1.00 10.32 H new ATOM 0 HZ PHE A 534 8.931 -34.097 -7.701 1.00 41.21 H new ATOM 108 N GLU A 535 12.269 -29.463 -13.424 1.00 42.14 N ATOM 109 CA GLU A 535 12.808 -29.005 -14.705 1.00 74.11 C ATOM 110 C GLU A 535 11.757 -28.922 -15.801 1.00 40.44 C ATOM 111 O GLU A 535 11.680 -27.938 -16.532 1.00 63.34 O ATOM 112 CB GLU A 535 13.854 -30.012 -15.169 1.00 44.42 C ATOM 113 CG GLU A 535 15.183 -29.933 -14.448 1.00 72.45 C ATOM 114 CD GLU A 535 16.131 -31.019 -14.923 1.00 64.32 C ATOM 115 OE1 GLU A 535 15.765 -32.210 -14.810 1.00 21.32 O ATOM 116 OE2 GLU A 535 17.259 -30.707 -15.360 1.00 2.22 O ATOM 0 H GLU A 535 12.680 -30.337 -13.097 1.00 42.14 H new ATOM 0 HA GLU A 535 13.214 -28.006 -14.542 1.00 74.11 H new ATOM 0 HB2 GLU A 535 13.450 -31.017 -15.045 1.00 44.42 H new ATOM 0 HB3 GLU A 535 14.027 -29.868 -16.235 1.00 44.42 H new ATOM 0 HG2 GLU A 535 15.633 -28.955 -14.616 1.00 72.45 H new ATOM 0 HG3 GLU A 535 15.023 -30.030 -13.374 1.00 72.45 H new ATOM 123 N CYS A 536 10.989 -29.992 -15.943 1.00 43.41 N ATOM 124 CA CYS A 536 10.020 -30.110 -17.019 1.00 21.13 C ATOM 125 C CYS A 536 8.768 -30.716 -16.431 1.00 53.23 C ATOM 126 O CYS A 536 8.751 -31.095 -15.263 1.00 54.25 O ATOM 127 CB CYS A 536 10.564 -31.032 -18.124 1.00 3.52 C ATOM 128 SG CYS A 536 12.103 -30.451 -18.880 1.00 25.21 S ATOM 0 H CYS A 536 11.020 -30.798 -15.319 1.00 43.41 H new ATOM 0 HA CYS A 536 9.816 -29.133 -17.457 1.00 21.13 H new ATOM 0 HB2 CYS A 536 10.730 -32.025 -17.705 1.00 3.52 H new ATOM 0 HB3 CYS A 536 9.807 -31.136 -18.901 1.00 3.52 H new ATOM 0 HG CYS A 536 12.482 -31.293 -19.795 1.00 25.21 H new ATOM 134 N ASP A 537 7.747 -30.853 -17.259 1.00 12.13 N ATOM 135 CA ASP A 537 6.494 -31.485 -16.863 1.00 51.21 C ATOM 136 C ASP A 537 6.169 -32.681 -17.759 1.00 61.43 C ATOM 137 O ASP A 537 5.137 -33.291 -17.596 1.00 70.23 O ATOM 138 CB ASP A 537 5.356 -30.462 -16.897 1.00 75.41 C ATOM 139 CG ASP A 537 5.324 -29.657 -18.185 1.00 75.44 C ATOM 140 OD1 ASP A 537 5.801 -30.134 -19.239 1.00 31.14 O ATOM 141 OD2 ASP A 537 4.936 -28.471 -18.093 1.00 14.13 O ATOM 0 H ASP A 537 7.760 -30.530 -18.226 1.00 12.13 H new ATOM 0 HA ASP A 537 6.606 -31.855 -15.844 1.00 51.21 H new ATOM 0 HB2 ASP A 537 4.405 -30.980 -16.774 1.00 75.41 H new ATOM 0 HB3 ASP A 537 5.460 -29.782 -16.052 1.00 75.41 H new ATOM 146 N THR A 538 7.078 -33.036 -18.661 1.00 64.30 N ATOM 147 CA THR A 538 6.919 -34.181 -19.554 1.00 54.34 C ATOM 148 C THR A 538 8.319 -34.792 -19.754 1.00 64.35 C ATOM 149 O THR A 538 9.287 -34.067 -19.999 1.00 3.30 O ATOM 150 CB THR A 538 6.375 -33.726 -20.931 1.00 72.04 C ATOM 151 OG1 THR A 538 5.191 -32.945 -20.747 1.00 34.14 O ATOM 152 CG2 THR A 538 6.020 -34.918 -21.810 1.00 43.03 C ATOM 0 H THR A 538 7.955 -32.533 -18.795 1.00 64.30 H new ATOM 0 HA THR A 538 6.218 -34.897 -19.125 1.00 54.34 H new ATOM 0 HB THR A 538 7.157 -33.142 -21.416 1.00 72.04 H new ATOM 0 HG1 THR A 538 5.427 -32.082 -20.347 1.00 34.14 H new ATOM 0 HG21 THR A 538 5.641 -34.563 -22.769 1.00 43.03 H new ATOM 0 HG22 THR A 538 6.909 -35.527 -21.974 1.00 43.03 H new ATOM 0 HG23 THR A 538 5.255 -35.518 -21.318 1.00 43.03 H new ATOM 160 N ILE A 539 8.416 -36.104 -19.620 1.00 25.13 N ATOM 161 CA ILE A 539 9.662 -36.874 -19.756 1.00 23.13 C ATOM 162 C ILE A 539 9.309 -38.276 -20.275 1.00 32.11 C ATOM 163 O ILE A 539 8.170 -38.719 -20.166 1.00 32.22 O ATOM 164 CB ILE A 539 10.421 -36.971 -18.371 1.00 52.32 C ATOM 165 CG1 ILE A 539 11.863 -37.489 -18.540 1.00 31.15 C ATOM 166 CG2 ILE A 539 9.614 -37.807 -17.314 1.00 52.04 C ATOM 167 CD1 ILE A 539 12.114 -38.890 -17.959 1.00 0.33 C ATOM 0 H ILE A 539 7.609 -36.691 -19.407 1.00 25.13 H new ATOM 0 HA ILE A 539 10.328 -36.372 -20.458 1.00 23.13 H new ATOM 0 HB ILE A 539 10.494 -35.957 -17.979 1.00 52.32 H new ATOM 0 HG12 ILE A 539 12.108 -37.502 -19.602 1.00 31.15 H new ATOM 0 HG13 ILE A 539 12.546 -36.785 -18.064 1.00 31.15 H new ATOM 0 HG21 ILE A 539 10.172 -37.847 -16.379 1.00 52.04 H new ATOM 0 HG22 ILE A 539 8.647 -37.336 -17.139 1.00 52.04 H new ATOM 0 HG23 ILE A 539 9.462 -38.819 -17.690 1.00 52.04 H new ATOM 0 HD11 ILE A 539 13.154 -39.171 -18.124 1.00 0.33 H new ATOM 0 HD12 ILE A 539 11.905 -38.883 -16.889 1.00 0.33 H new ATOM 0 HD13 ILE A 539 11.461 -39.610 -18.451 1.00 0.33 H new ATOM 179 N HIS A 540 10.288 -38.968 -20.832 1.00 30.50 N ATOM 180 CA HIS A 540 10.137 -40.356 -21.245 1.00 32.35 C ATOM 181 C HIS A 540 11.290 -41.144 -20.660 1.00 43.22 C ATOM 182 O HIS A 540 12.435 -40.714 -20.771 1.00 3.21 O ATOM 183 CB HIS A 540 10.212 -40.459 -22.759 1.00 73.23 C ATOM 184 CG HIS A 540 8.890 -40.311 -23.440 1.00 14.02 C ATOM 185 ND1 HIS A 540 8.275 -41.344 -24.146 1.00 43.45 N ATOM 186 CD2 HIS A 540 8.035 -39.261 -23.546 1.00 63.35 C ATOM 187 CE1 HIS A 540 7.133 -40.897 -24.646 1.00 3.41 C ATOM 188 NE2 HIS A 540 6.968 -39.651 -24.292 1.00 32.03 N ATOM 0 H HIS A 540 11.215 -38.583 -21.012 1.00 30.50 H new ATOM 0 HA HIS A 540 9.176 -40.740 -20.902 1.00 32.35 H new ATOM 0 HB2 HIS A 540 10.891 -39.692 -23.133 1.00 73.23 H new ATOM 0 HB3 HIS A 540 10.642 -41.424 -23.027 1.00 73.23 H new ATOM 0 HD2 HIS A 540 8.179 -38.283 -23.111 1.00 63.35 H new ATOM 0 HE1 HIS A 540 6.447 -41.472 -25.251 1.00 3.41 H new ATOM 0 HE2 HIS A 540 6.169 -39.066 -24.536 1.00 32.03 H new ATOM 196 N VAL A 541 11.002 -42.294 -20.077 1.00 2.22 N ATOM 197 CA VAL A 541 12.060 -43.235 -19.683 1.00 43.53 C ATOM 198 C VAL A 541 11.785 -44.581 -20.315 1.00 3.25 C ATOM 199 O VAL A 541 10.670 -44.879 -20.707 1.00 24.21 O ATOM 200 CB VAL A 541 12.193 -43.441 -18.134 1.00 42.04 C ATOM 201 CG1 VAL A 541 12.595 -42.168 -17.457 1.00 51.21 C ATOM 202 CG2 VAL A 541 10.887 -43.977 -17.507 1.00 22.20 C ATOM 0 H VAL A 541 10.055 -42.606 -19.863 1.00 2.22 H new ATOM 0 HA VAL A 541 12.997 -42.798 -20.029 1.00 43.53 H new ATOM 0 HB VAL A 541 12.972 -44.188 -17.982 1.00 42.04 H new ATOM 0 HG11 VAL A 541 12.680 -42.338 -16.384 1.00 51.21 H new ATOM 0 HG12 VAL A 541 13.556 -41.835 -17.849 1.00 51.21 H new ATOM 0 HG13 VAL A 541 11.842 -41.403 -17.644 1.00 51.21 H new ATOM 0 HG21 VAL A 541 11.025 -44.105 -16.433 1.00 22.20 H new ATOM 0 HG22 VAL A 541 10.079 -43.268 -17.688 1.00 22.20 H new ATOM 0 HG23 VAL A 541 10.635 -44.937 -17.957 1.00 22.20 H new ATOM 212 N SER A 542 12.815 -45.400 -20.354 1.00 24.21 N ATOM 213 CA SER A 542 12.717 -46.795 -20.753 1.00 5.52 C ATOM 214 C SER A 542 12.956 -47.531 -19.457 1.00 25.21 C ATOM 215 O SER A 542 13.638 -47.014 -18.597 1.00 24.45 O ATOM 216 CB SER A 542 13.816 -47.138 -21.760 1.00 23.35 C ATOM 217 OG SER A 542 13.996 -48.538 -21.906 1.00 53.22 O ATOM 0 H SER A 542 13.762 -45.113 -20.106 1.00 24.21 H new ATOM 0 HA SER A 542 11.769 -47.043 -21.230 1.00 5.52 H new ATOM 0 HB2 SER A 542 13.567 -46.703 -22.728 1.00 23.35 H new ATOM 0 HB3 SER A 542 14.754 -46.685 -21.439 1.00 23.35 H new ATOM 0 HG SER A 542 13.121 -48.979 -21.935 1.00 53.22 H new ATOM 223 N GLU A 543 12.439 -48.733 -19.333 1.00 44.11 N ATOM 224 CA GLU A 543 12.672 -49.587 -18.161 1.00 72.35 C ATOM 225 C GLU A 543 14.163 -49.832 -17.946 1.00 72.12 C ATOM 226 O GLU A 543 14.652 -49.880 -16.817 1.00 12.42 O ATOM 227 CB GLU A 543 11.973 -50.948 -18.333 1.00 31.21 C ATOM 228 CG GLU A 543 11.153 -51.119 -19.628 1.00 71.04 C ATOM 229 CD GLU A 543 12.007 -51.001 -20.910 1.00 54.22 C ATOM 230 OE1 GLU A 543 13.093 -51.605 -20.979 1.00 22.45 O ATOM 231 OE2 GLU A 543 11.700 -50.088 -21.721 1.00 51.44 O ATOM 0 H GLU A 543 11.840 -49.160 -20.040 1.00 44.11 H new ATOM 0 HA GLU A 543 12.262 -49.066 -17.296 1.00 72.35 H new ATOM 0 HB2 GLU A 543 12.730 -51.732 -18.298 1.00 31.21 H new ATOM 0 HB3 GLU A 543 11.311 -51.106 -17.482 1.00 31.21 H new ATOM 0 HG2 GLU A 543 10.663 -52.093 -19.614 1.00 71.04 H new ATOM 0 HG3 GLU A 543 10.365 -50.366 -19.654 1.00 71.04 H new ATOM 238 N SER A 544 14.889 -49.921 -19.055 1.00 20.25 N ATOM 239 CA SER A 544 16.328 -50.195 -19.056 1.00 61.42 C ATOM 240 C SER A 544 17.152 -49.104 -18.378 1.00 0.24 C ATOM 241 O SER A 544 18.348 -49.279 -18.136 1.00 43.21 O ATOM 242 CB SER A 544 16.808 -50.365 -20.501 1.00 20.30 C ATOM 243 OG SER A 544 18.191 -50.684 -20.545 1.00 74.11 O ATOM 0 H SER A 544 14.495 -49.805 -19.989 1.00 20.25 H new ATOM 0 HA SER A 544 16.477 -51.109 -18.481 1.00 61.42 H new ATOM 0 HB2 SER A 544 16.234 -51.153 -20.988 1.00 20.30 H new ATOM 0 HB3 SER A 544 16.625 -49.447 -21.059 1.00 20.30 H new ATOM 0 HG SER A 544 18.621 -50.392 -19.714 1.00 74.11 H new ATOM 249 N ILE A 545 16.522 -47.984 -18.052 1.00 63.43 N ATOM 250 CA ILE A 545 17.191 -46.912 -17.333 1.00 32.41 C ATOM 251 C ILE A 545 17.514 -47.352 -15.897 1.00 4.14 C ATOM 252 O ILE A 545 18.444 -46.833 -15.269 1.00 41.23 O ATOM 253 CB ILE A 545 16.294 -45.648 -17.308 1.00 50.23 C ATOM 254 CG1 ILE A 545 17.150 -44.410 -17.018 1.00 74.24 C ATOM 255 CG2 ILE A 545 15.118 -45.821 -16.301 1.00 13.31 C ATOM 256 CD1 ILE A 545 16.352 -43.188 -16.688 1.00 12.22 C ATOM 0 H ILE A 545 15.545 -47.795 -18.276 1.00 63.43 H new ATOM 0 HA ILE A 545 18.123 -46.678 -17.847 1.00 32.41 H new ATOM 0 HB ILE A 545 15.837 -45.506 -18.287 1.00 50.23 H new ATOM 0 HG12 ILE A 545 17.821 -44.630 -16.187 1.00 74.24 H new ATOM 0 HG13 ILE A 545 17.775 -44.201 -17.886 1.00 74.24 H new ATOM 0 HG21 ILE A 545 14.503 -44.921 -16.302 1.00 13.31 H new ATOM 0 HG22 ILE A 545 14.510 -46.676 -16.595 1.00 13.31 H new ATOM 0 HG23 ILE A 545 15.517 -45.987 -15.300 1.00 13.31 H new ATOM 0 HD11 ILE A 545 17.027 -42.354 -16.495 1.00 12.22 H new ATOM 0 HD12 ILE A 545 15.701 -42.941 -17.526 1.00 12.22 H new ATOM 0 HD13 ILE A 545 15.747 -43.377 -15.802 1.00 12.22 H new ATOM 268 N GLY A 546 16.740 -48.290 -15.360 1.00 35.03 N ATOM 269 CA GLY A 546 16.967 -48.748 -14.004 1.00 40.34 C ATOM 270 C GLY A 546 16.309 -47.878 -12.963 1.00 1.32 C ATOM 271 O GLY A 546 15.503 -48.336 -12.161 1.00 63.11 O ATOM 0 H GLY A 546 15.961 -48.740 -15.840 1.00 35.03 H new ATOM 0 HA2 GLY A 546 16.593 -49.767 -13.905 1.00 40.34 H new ATOM 0 HA3 GLY A 546 18.040 -48.782 -13.814 1.00 40.34 H new ATOM 275 N VAL A 547 16.659 -46.603 -12.958 1.00 71.42 N ATOM 276 CA VAL A 547 16.079 -45.654 -12.020 1.00 35.44 C ATOM 277 C VAL A 547 16.018 -44.270 -12.657 1.00 53.23 C ATOM 278 O VAL A 547 17.007 -43.745 -13.163 1.00 63.11 O ATOM 279 CB VAL A 547 16.845 -45.670 -10.647 1.00 72.53 C ATOM 280 CG1 VAL A 547 18.347 -45.534 -10.822 1.00 42.44 C ATOM 281 CG2 VAL A 547 16.338 -44.594 -9.713 1.00 2.35 C ATOM 0 H VAL A 547 17.345 -46.199 -13.596 1.00 71.42 H new ATOM 0 HA VAL A 547 15.055 -45.951 -11.791 1.00 35.44 H new ATOM 0 HB VAL A 547 16.645 -46.644 -10.201 1.00 72.53 H new ATOM 0 HG11 VAL A 547 18.830 -45.551 -9.845 1.00 42.44 H new ATOM 0 HG12 VAL A 547 18.719 -46.362 -11.425 1.00 42.44 H new ATOM 0 HG13 VAL A 547 18.571 -44.592 -11.322 1.00 42.44 H new ATOM 0 HG21 VAL A 547 16.891 -44.636 -8.775 1.00 2.35 H new ATOM 0 HG22 VAL A 547 16.479 -43.616 -10.174 1.00 2.35 H new ATOM 0 HG23 VAL A 547 15.278 -44.753 -9.517 1.00 2.35 H new ATOM 291 N MET A 548 14.820 -43.711 -12.667 1.00 21.24 N ATOM 292 CA MET A 548 14.565 -42.403 -13.246 1.00 21.42 C ATOM 293 C MET A 548 14.917 -41.328 -12.233 1.00 35.35 C ATOM 294 O MET A 548 14.862 -41.571 -11.022 1.00 51.25 O ATOM 295 CB MET A 548 13.096 -42.297 -13.664 1.00 34.31 C ATOM 296 CG MET A 548 12.132 -41.879 -12.543 1.00 62.10 C ATOM 297 SD MET A 548 11.975 -40.087 -12.361 1.00 11.53 S ATOM 298 CE MET A 548 11.412 -39.618 -14.012 1.00 24.33 C ATOM 0 H MET A 548 13.991 -44.155 -12.271 1.00 21.24 H new ATOM 0 HA MET A 548 15.183 -42.265 -14.133 1.00 21.42 H new ATOM 0 HB2 MET A 548 13.016 -41.577 -14.479 1.00 34.31 H new ATOM 0 HB3 MET A 548 12.775 -43.261 -14.058 1.00 34.31 H new ATOM 0 HG2 MET A 548 11.148 -42.304 -12.743 1.00 62.10 H new ATOM 0 HG3 MET A 548 12.477 -42.304 -11.600 1.00 62.10 H new ATOM 0 HE1 MET A 548 10.650 -38.843 -13.930 1.00 24.33 H new ATOM 0 HE2 MET A 548 12.255 -39.238 -14.590 1.00 24.33 H new ATOM 0 HE3 MET A 548 10.991 -40.489 -14.514 1.00 24.33 H new ATOM 308 N GLU A 549 15.263 -40.143 -12.716 1.00 51.51 N ATOM 309 CA GLU A 549 15.488 -39.010 -11.830 1.00 74.32 C ATOM 310 C GLU A 549 14.771 -37.759 -12.249 1.00 52.42 C ATOM 311 O GLU A 549 14.707 -37.392 -13.421 1.00 52.24 O ATOM 312 CB GLU A 549 16.981 -38.693 -11.659 1.00 64.34 C ATOM 313 CG GLU A 549 17.381 -38.599 -10.222 1.00 24.15 C ATOM 314 CD GLU A 549 18.891 -38.492 -10.012 1.00 10.50 C ATOM 315 OE1 GLU A 549 19.599 -38.013 -10.923 1.00 23.40 O ATOM 316 OE2 GLU A 549 19.359 -38.824 -8.893 1.00 62.24 O ATOM 0 H GLU A 549 15.393 -39.942 -13.708 1.00 51.51 H new ATOM 0 HA GLU A 549 15.070 -39.331 -10.876 1.00 74.32 H new ATOM 0 HB2 GLU A 549 17.573 -39.467 -12.148 1.00 64.34 H new ATOM 0 HB3 GLU A 549 17.210 -37.752 -12.160 1.00 64.34 H new ATOM 0 HG2 GLU A 549 16.898 -37.730 -9.775 1.00 24.15 H new ATOM 0 HG3 GLU A 549 17.010 -39.477 -9.692 1.00 24.15 H new ATOM 323 N VAL A 550 14.291 -37.075 -11.230 1.00 32.32 N ATOM 324 CA VAL A 550 13.679 -35.782 -11.360 1.00 52.40 C ATOM 325 C VAL A 550 14.653 -34.859 -10.675 1.00 10.40 C ATOM 326 O VAL A 550 15.066 -35.141 -9.559 1.00 21.44 O ATOM 327 CB VAL A 550 12.298 -35.769 -10.633 1.00 34.43 C ATOM 328 CG1 VAL A 550 12.094 -34.526 -9.823 1.00 62.42 C ATOM 329 CG2 VAL A 550 11.218 -35.956 -11.611 1.00 71.23 C ATOM 0 H VAL A 550 14.320 -37.417 -10.269 1.00 32.32 H new ATOM 0 HA VAL A 550 13.487 -35.496 -12.394 1.00 52.40 H new ATOM 0 HB VAL A 550 12.282 -36.599 -9.927 1.00 34.43 H new ATOM 0 HG11 VAL A 550 11.119 -34.564 -9.337 1.00 62.42 H new ATOM 0 HG12 VAL A 550 12.875 -34.453 -9.066 1.00 62.42 H new ATOM 0 HG13 VAL A 550 12.140 -33.655 -10.476 1.00 62.42 H new ATOM 0 HG21 VAL A 550 10.257 -35.946 -11.098 1.00 71.23 H new ATOM 0 HG22 VAL A 550 11.247 -35.149 -12.343 1.00 71.23 H new ATOM 0 HG23 VAL A 550 11.348 -36.912 -12.119 1.00 71.23 H new ATOM 339 N LYS A 551 15.025 -33.761 -11.310 1.00 44.55 N ATOM 340 CA LYS A 551 15.857 -32.764 -10.644 1.00 62.42 C ATOM 341 C LYS A 551 14.922 -31.686 -10.142 1.00 71.44 C ATOM 342 O LYS A 551 14.067 -31.195 -10.882 1.00 73.52 O ATOM 343 CB LYS A 551 16.910 -32.182 -11.585 1.00 20.32 C ATOM 344 CG LYS A 551 17.731 -33.247 -12.306 1.00 44.24 C ATOM 345 CD LYS A 551 18.901 -32.628 -13.060 1.00 74.50 C ATOM 346 CE LYS A 551 19.316 -33.498 -14.246 1.00 74.13 C ATOM 347 NZ LYS A 551 18.280 -33.431 -15.339 1.00 61.51 N ATOM 0 H LYS A 551 14.771 -33.536 -12.272 1.00 44.55 H new ATOM 0 HA LYS A 551 16.410 -33.219 -9.823 1.00 62.42 H new ATOM 0 HB2 LYS A 551 16.417 -31.551 -12.325 1.00 20.32 H new ATOM 0 HB3 LYS A 551 17.581 -31.540 -11.015 1.00 20.32 H new ATOM 0 HG2 LYS A 551 18.104 -33.972 -11.583 1.00 44.24 H new ATOM 0 HG3 LYS A 551 17.093 -33.791 -13.003 1.00 44.24 H new ATOM 0 HD2 LYS A 551 18.625 -31.635 -13.413 1.00 74.50 H new ATOM 0 HD3 LYS A 551 19.747 -32.502 -12.384 1.00 74.50 H new ATOM 0 HE2 LYS A 551 20.280 -33.164 -14.630 1.00 74.13 H new ATOM 0 HE3 LYS A 551 19.443 -34.530 -13.920 1.00 74.13 H new ATOM 0 HZ1 LYS A 551 18.200 -34.360 -15.799 1.00 61.51 H new ATOM 0 HZ2 LYS A 551 17.361 -33.167 -14.930 1.00 61.51 H new ATOM 0 HZ3 LYS A 551 18.563 -32.719 -16.043 1.00 61.51 H new ATOM 361 N VAL A 552 15.057 -31.356 -8.873 1.00 15.01 N ATOM 362 CA VAL A 552 14.225 -30.346 -8.236 1.00 41.30 C ATOM 363 C VAL A 552 15.018 -29.052 -8.100 1.00 75.12 C ATOM 364 O VAL A 552 16.115 -29.047 -7.543 1.00 31.25 O ATOM 365 CB VAL A 552 13.798 -30.776 -6.814 1.00 75.10 C ATOM 366 CG1 VAL A 552 12.590 -29.935 -6.364 1.00 72.15 C ATOM 367 CG2 VAL A 552 13.449 -32.290 -6.757 1.00 72.14 C ATOM 0 H VAL A 552 15.746 -31.779 -8.251 1.00 15.01 H new ATOM 0 HA VAL A 552 13.339 -30.212 -8.857 1.00 41.30 H new ATOM 0 HB VAL A 552 14.636 -30.605 -6.138 1.00 75.10 H new ATOM 0 HG11 VAL A 552 12.289 -30.238 -5.361 1.00 72.15 H new ATOM 0 HG12 VAL A 552 12.863 -28.880 -6.357 1.00 72.15 H new ATOM 0 HG13 VAL A 552 11.761 -30.091 -7.054 1.00 72.15 H new ATOM 0 HG21 VAL A 552 13.153 -32.557 -5.743 1.00 72.14 H new ATOM 0 HG22 VAL A 552 12.627 -32.500 -7.442 1.00 72.14 H new ATOM 0 HG23 VAL A 552 14.321 -32.876 -7.047 1.00 72.14 H new ATOM 377 N LEU A 553 14.465 -27.968 -8.629 1.00 25.41 N ATOM 378 CA LEU A 553 15.084 -26.659 -8.592 1.00 54.33 C ATOM 379 C LEU A 553 14.275 -25.778 -7.652 1.00 44.30 C ATOM 380 O LEU A 553 13.116 -26.078 -7.337 1.00 50.03 O ATOM 381 CB LEU A 553 15.072 -26.032 -9.989 1.00 44.41 C ATOM 382 CG LEU A 553 15.503 -26.883 -11.200 1.00 60.22 C ATOM 383 CD1 LEU A 553 16.810 -27.673 -10.988 1.00 15.24 C ATOM 384 CD2 LEU A 553 14.407 -27.786 -11.660 1.00 11.44 C ATOM 0 H LEU A 553 13.561 -27.979 -9.101 1.00 25.41 H new ATOM 0 HA LEU A 553 16.115 -26.749 -8.251 1.00 54.33 H new ATOM 0 HB2 LEU A 553 14.059 -25.678 -10.181 1.00 44.41 H new ATOM 0 HB3 LEU A 553 15.716 -25.153 -9.960 1.00 44.41 H new ATOM 0 HG LEU A 553 15.716 -26.159 -11.987 1.00 60.22 H new ATOM 0 HD11 LEU A 553 17.040 -28.244 -11.888 1.00 15.24 H new ATOM 0 HD12 LEU A 553 17.625 -26.979 -10.780 1.00 15.24 H new ATOM 0 HD13 LEU A 553 16.690 -28.355 -10.146 1.00 15.24 H new ATOM 0 HD21 LEU A 553 14.750 -28.369 -12.515 1.00 11.44 H new ATOM 0 HD22 LEU A 553 14.127 -28.460 -10.850 1.00 11.44 H new ATOM 0 HD23 LEU A 553 13.542 -27.190 -11.951 1.00 11.44 H new ATOM 396 N ARG A 554 14.874 -24.688 -7.205 1.00 62.11 N ATOM 397 CA ARG A 554 14.227 -23.789 -6.258 1.00 0.23 C ATOM 398 C ARG A 554 14.566 -22.338 -6.634 1.00 75.25 C ATOM 399 O ARG A 554 15.682 -22.064 -7.076 1.00 3.35 O ATOM 400 CB ARG A 554 14.702 -24.200 -4.841 1.00 63.05 C ATOM 401 CG ARG A 554 14.619 -23.157 -3.747 1.00 52.02 C ATOM 402 CD ARG A 554 16.017 -22.633 -3.367 1.00 63.12 C ATOM 403 NE ARG A 554 16.799 -22.174 -4.530 1.00 42.43 N ATOM 404 CZ ARG A 554 17.982 -21.575 -4.508 1.00 52.30 C ATOM 405 NH1 ARG A 554 18.653 -21.365 -3.407 1.00 22.41 N ATOM 406 NH2 ARG A 554 18.496 -21.184 -5.639 1.00 23.01 N ATOM 0 H ARG A 554 15.812 -24.401 -7.483 1.00 62.11 H new ATOM 0 HA ARG A 554 13.139 -23.859 -6.280 1.00 0.23 H new ATOM 0 HB2 ARG A 554 14.116 -25.064 -4.527 1.00 63.05 H new ATOM 0 HB3 ARG A 554 15.739 -24.528 -4.916 1.00 63.05 H new ATOM 0 HG2 ARG A 554 13.995 -22.327 -4.079 1.00 52.02 H new ATOM 0 HG3 ARG A 554 14.138 -23.586 -2.868 1.00 52.02 H new ATOM 0 HD2 ARG A 554 15.910 -21.810 -2.661 1.00 63.12 H new ATOM 0 HD3 ARG A 554 16.568 -23.422 -2.855 1.00 63.12 H new ATOM 0 HE ARG A 554 16.386 -22.334 -5.449 1.00 42.43 H new ATOM 0 HH11 ARG A 554 18.270 -21.667 -2.511 1.00 22.41 H new ATOM 0 HH12 ARG A 554 19.560 -20.900 -3.443 1.00 22.41 H new ATOM 0 HH21 ARG A 554 17.990 -21.341 -6.511 1.00 23.01 H new ATOM 0 HH22 ARG A 554 19.404 -20.720 -5.653 1.00 23.01 H new ATOM 420 N THR A 555 13.626 -21.413 -6.456 1.00 61.55 N ATOM 421 CA THR A 555 13.889 -19.974 -6.697 1.00 4.41 C ATOM 422 C THR A 555 14.844 -19.465 -5.622 1.00 22.40 C ATOM 423 O THR A 555 14.968 -20.100 -4.599 1.00 44.32 O ATOM 424 CB THR A 555 12.590 -19.110 -6.661 1.00 22.54 C ATOM 425 OG1 THR A 555 12.839 -17.863 -7.308 1.00 63.12 O ATOM 426 CG2 THR A 555 12.137 -18.803 -5.219 1.00 1.35 C ATOM 0 H THR A 555 12.676 -21.620 -6.148 1.00 61.55 H new ATOM 0 HA THR A 555 14.319 -19.881 -7.694 1.00 4.41 H new ATOM 0 HB THR A 555 11.808 -19.679 -7.164 1.00 22.54 H new ATOM 0 HG1 THR A 555 12.026 -17.317 -7.290 1.00 63.12 H new ATOM 0 HG21 THR A 555 11.230 -18.200 -5.243 1.00 1.35 H new ATOM 0 HG22 THR A 555 11.938 -19.737 -4.694 1.00 1.35 H new ATOM 0 HG23 THR A 555 12.923 -18.255 -4.700 1.00 1.35 H new ATOM 434 N SER A 556 15.474 -18.311 -5.811 1.00 65.24 N ATOM 435 CA SER A 556 16.452 -17.751 -4.850 1.00 33.33 C ATOM 436 C SER A 556 15.954 -17.405 -3.423 1.00 64.25 C ATOM 437 O SER A 556 16.579 -16.625 -2.713 1.00 60.32 O ATOM 438 CB SER A 556 17.038 -16.487 -5.469 1.00 41.34 C ATOM 439 OG SER A 556 17.217 -16.680 -6.863 1.00 53.23 O ATOM 0 H SER A 556 15.329 -17.726 -6.634 1.00 65.24 H new ATOM 0 HA SER A 556 17.167 -18.558 -4.689 1.00 33.33 H new ATOM 0 HB2 SER A 556 16.374 -15.641 -5.291 1.00 41.34 H new ATOM 0 HB3 SER A 556 17.992 -16.248 -4.999 1.00 41.34 H new ATOM 0 HG SER A 556 17.592 -15.866 -7.260 1.00 53.23 H new ATOM 445 N GLY A 557 14.849 -18.003 -3.006 1.00 74.32 N ATOM 446 CA GLY A 557 14.261 -17.759 -1.704 1.00 12.12 C ATOM 447 C GLY A 557 14.709 -18.708 -0.601 1.00 44.23 C ATOM 448 O GLY A 557 14.043 -18.794 0.407 1.00 30.40 O ATOM 0 H GLY A 557 14.332 -18.678 -3.570 1.00 74.32 H new ATOM 0 HA2 GLY A 557 14.498 -16.739 -1.402 1.00 12.12 H new ATOM 0 HA3 GLY A 557 13.177 -17.821 -1.796 1.00 12.12 H new ATOM 452 N ALA A 558 15.800 -19.449 -0.773 1.00 73.34 N ATOM 453 CA ALA A 558 16.245 -20.400 0.267 1.00 5.52 C ATOM 454 C ALA A 558 16.945 -19.715 1.438 1.00 44.13 C ATOM 455 O ALA A 558 18.148 -19.879 1.655 1.00 43.13 O ATOM 456 CB ALA A 558 17.147 -21.456 -0.302 1.00 31.11 C ATOM 0 H ALA A 558 16.390 -19.419 -1.604 1.00 73.34 H new ATOM 0 HA ALA A 558 15.335 -20.866 0.646 1.00 5.52 H new ATOM 0 HB1 ALA A 558 17.455 -22.138 0.491 1.00 31.11 H new ATOM 0 HB2 ALA A 558 16.614 -22.013 -1.073 1.00 31.11 H new ATOM 0 HB3 ALA A 558 18.028 -20.985 -0.738 1.00 31.11 H new ATOM 462 N ARG A 559 16.174 -18.975 2.205 1.00 31.41 N ATOM 463 CA ARG A 559 16.666 -18.347 3.411 1.00 24.55 C ATOM 464 C ARG A 559 16.569 -19.432 4.479 1.00 13.24 C ATOM 465 O ARG A 559 15.541 -19.595 5.101 1.00 62.42 O ATOM 466 CB ARG A 559 15.788 -17.132 3.740 1.00 34.24 C ATOM 467 CG ARG A 559 15.639 -16.143 2.559 1.00 31.25 C ATOM 468 CD ARG A 559 16.913 -15.360 2.269 1.00 62.33 C ATOM 469 NE ARG A 559 16.904 -14.042 2.926 1.00 74.11 N ATOM 470 CZ ARG A 559 17.924 -13.191 2.944 1.00 50.44 C ATOM 471 NH1 ARG A 559 19.070 -13.463 2.368 1.00 4.13 N ATOM 472 NH2 ARG A 559 17.794 -12.046 3.549 1.00 31.31 N ATOM 0 H ARG A 559 15.190 -18.792 2.010 1.00 31.41 H new ATOM 0 HA ARG A 559 17.688 -17.977 3.327 1.00 24.55 H new ATOM 0 HB2 ARG A 559 14.799 -17.478 4.041 1.00 34.24 H new ATOM 0 HB3 ARG A 559 16.215 -16.605 4.594 1.00 34.24 H new ATOM 0 HG2 ARG A 559 15.348 -16.695 1.665 1.00 31.25 H new ATOM 0 HG3 ARG A 559 14.832 -15.444 2.778 1.00 31.25 H new ATOM 0 HD2 ARG A 559 17.777 -15.931 2.610 1.00 62.33 H new ATOM 0 HD3 ARG A 559 17.023 -15.229 1.192 1.00 62.33 H new ATOM 0 HE ARG A 559 16.048 -13.761 3.404 1.00 74.11 H new ATOM 0 HH11 ARG A 559 19.200 -14.352 1.886 1.00 4.13 H new ATOM 0 HH12 ARG A 559 19.831 -12.785 2.402 1.00 4.13 H new ATOM 0 HH21 ARG A 559 16.913 -11.807 4.005 1.00 31.31 H new ATOM 0 HH22 ARG A 559 18.573 -11.387 3.567 1.00 31.31 H new ATOM 486 N GLY A 560 17.616 -20.222 4.632 1.00 44.15 N ATOM 487 CA GLY A 560 17.571 -21.337 5.563 1.00 31.51 C ATOM 488 C GLY A 560 17.370 -22.685 4.896 1.00 64.11 C ATOM 489 O GLY A 560 17.699 -22.876 3.716 1.00 52.02 O ATOM 0 H GLY A 560 18.498 -20.116 4.131 1.00 44.15 H new ATOM 0 HA2 GLY A 560 18.500 -21.359 6.133 1.00 31.51 H new ATOM 0 HA3 GLY A 560 16.763 -21.171 6.276 1.00 31.51 H new ATOM 493 N THR A 561 16.830 -23.615 5.666 1.00 34.21 N ATOM 494 CA THR A 561 16.631 -24.995 5.256 1.00 45.01 C ATOM 495 C THR A 561 15.152 -25.285 5.163 1.00 73.02 C ATOM 496 O THR A 561 14.367 -24.942 6.024 1.00 11.44 O ATOM 497 CB THR A 561 17.261 -25.972 6.275 1.00 10.10 C ATOM 498 OG1 THR A 561 18.663 -25.718 6.377 1.00 50.45 O ATOM 499 CG2 THR A 561 17.054 -27.400 5.891 1.00 43.32 C ATOM 0 H THR A 561 16.510 -23.427 6.616 1.00 34.21 H new ATOM 0 HA THR A 561 17.110 -25.133 4.287 1.00 45.01 H new ATOM 0 HB THR A 561 16.768 -25.806 7.233 1.00 10.10 H new ATOM 0 HG1 THR A 561 18.814 -24.950 6.967 1.00 50.45 H new ATOM 0 HG21 THR A 561 17.514 -28.048 6.637 1.00 43.32 H new ATOM 0 HG22 THR A 561 15.986 -27.611 5.836 1.00 43.32 H new ATOM 0 HG23 THR A 561 17.511 -27.585 4.919 1.00 43.32 H new ATOM 507 N VAL A 562 14.797 -25.924 4.078 1.00 71.31 N ATOM 508 CA VAL A 562 13.429 -26.332 3.761 1.00 1.30 C ATOM 509 C VAL A 562 13.469 -27.837 3.478 1.00 31.44 C ATOM 510 O VAL A 562 14.404 -28.313 2.861 1.00 60.34 O ATOM 511 CB VAL A 562 12.929 -25.572 2.493 1.00 75.13 C ATOM 512 CG1 VAL A 562 11.524 -26.020 2.083 1.00 74.11 C ATOM 513 CG2 VAL A 562 12.928 -24.055 2.719 1.00 1.54 C ATOM 0 H VAL A 562 15.468 -26.190 3.357 1.00 71.31 H new ATOM 0 HA VAL A 562 12.752 -26.104 4.585 1.00 1.30 H new ATOM 0 HB VAL A 562 13.624 -25.815 1.689 1.00 75.13 H new ATOM 0 HG11 VAL A 562 11.210 -25.469 1.197 1.00 74.11 H new ATOM 0 HG12 VAL A 562 11.532 -27.087 1.862 1.00 74.11 H new ATOM 0 HG13 VAL A 562 10.827 -25.823 2.898 1.00 74.11 H new ATOM 0 HG21 VAL A 562 12.575 -23.553 1.818 1.00 1.54 H new ATOM 0 HG22 VAL A 562 12.269 -23.812 3.552 1.00 1.54 H new ATOM 0 HG23 VAL A 562 13.940 -23.721 2.948 1.00 1.54 H new ATOM 523 N ILE A 563 12.461 -28.580 3.914 1.00 45.32 N ATOM 524 CA ILE A 563 12.360 -30.005 3.616 1.00 31.10 C ATOM 525 C ILE A 563 11.168 -30.180 2.666 1.00 15.14 C ATOM 526 O ILE A 563 10.161 -29.471 2.801 1.00 53.34 O ATOM 527 CB ILE A 563 12.221 -30.851 4.927 1.00 22.32 C ATOM 528 CG1 ILE A 563 12.980 -32.172 4.783 1.00 74.52 C ATOM 529 CG2 ILE A 563 10.750 -31.143 5.293 1.00 55.23 C ATOM 530 CD1 ILE A 563 13.473 -32.725 6.098 1.00 14.52 C ATOM 0 H ILE A 563 11.694 -28.217 4.480 1.00 45.32 H new ATOM 0 HA ILE A 563 13.267 -30.372 3.136 1.00 31.10 H new ATOM 0 HB ILE A 563 12.649 -30.256 5.734 1.00 22.32 H new ATOM 0 HG12 ILE A 563 12.329 -32.907 4.309 1.00 74.52 H new ATOM 0 HG13 ILE A 563 13.831 -32.023 4.118 1.00 74.52 H new ATOM 0 HG21 ILE A 563 10.713 -31.732 6.209 1.00 55.23 H new ATOM 0 HG22 ILE A 563 10.219 -30.203 5.444 1.00 55.23 H new ATOM 0 HG23 ILE A 563 10.278 -31.700 4.484 1.00 55.23 H new ATOM 0 HD11 ILE A 563 14.002 -33.662 5.923 1.00 14.52 H new ATOM 0 HD12 ILE A 563 14.149 -32.008 6.564 1.00 14.52 H new ATOM 0 HD13 ILE A 563 12.624 -32.905 6.758 1.00 14.52 H new ATOM 542 N VAL A 564 11.278 -31.060 1.679 1.00 2.05 N ATOM 543 CA VAL A 564 10.188 -31.278 0.720 1.00 32.01 C ATOM 544 C VAL A 564 9.952 -32.771 0.418 1.00 42.43 C ATOM 545 O VAL A 564 10.810 -33.429 -0.169 1.00 70.21 O ATOM 546 CB VAL A 564 10.457 -30.572 -0.647 1.00 52.24 C ATOM 547 CG1 VAL A 564 9.175 -30.585 -1.506 1.00 65.30 C ATOM 548 CG2 VAL A 564 10.935 -29.123 -0.442 1.00 41.24 C ATOM 0 H VAL A 564 12.105 -31.635 1.517 1.00 2.05 H new ATOM 0 HA VAL A 564 9.308 -30.853 1.203 1.00 32.01 H new ATOM 0 HB VAL A 564 11.246 -31.120 -1.162 1.00 52.24 H new ATOM 0 HG11 VAL A 564 9.370 -30.091 -2.458 1.00 65.30 H new ATOM 0 HG12 VAL A 564 8.869 -31.615 -1.688 1.00 65.30 H new ATOM 0 HG13 VAL A 564 8.379 -30.058 -0.980 1.00 65.30 H new ATOM 0 HG21 VAL A 564 11.114 -28.658 -1.412 1.00 41.24 H new ATOM 0 HG22 VAL A 564 10.171 -28.560 0.095 1.00 41.24 H new ATOM 0 HG23 VAL A 564 11.859 -29.123 0.136 1.00 41.24 H new ATOM 558 N PRO A 565 8.781 -33.316 0.795 1.00 71.41 N ATOM 559 CA PRO A 565 8.440 -34.688 0.399 1.00 10.43 C ATOM 560 C PRO A 565 8.033 -34.852 -1.040 1.00 10.22 C ATOM 561 O PRO A 565 7.530 -33.923 -1.658 1.00 71.41 O ATOM 562 CB PRO A 565 7.229 -35.010 1.289 1.00 3.10 C ATOM 563 CG PRO A 565 6.617 -33.715 1.563 1.00 13.44 C ATOM 564 CD PRO A 565 7.703 -32.699 1.582 1.00 71.20 C ATOM 0 HA PRO A 565 9.309 -35.336 0.512 1.00 10.43 H new ATOM 0 HB2 PRO A 565 6.532 -35.678 0.783 1.00 3.10 H new ATOM 0 HB3 PRO A 565 7.535 -35.506 2.210 1.00 3.10 H new ATOM 0 HG2 PRO A 565 5.878 -33.471 0.799 1.00 13.44 H new ATOM 0 HG3 PRO A 565 6.093 -33.734 2.519 1.00 13.44 H new ATOM 0 HD2 PRO A 565 7.376 -31.757 1.142 1.00 71.20 H new ATOM 0 HD3 PRO A 565 8.027 -32.480 2.599 1.00 71.20 H new ATOM 572 N PHE A 566 8.173 -36.071 -1.532 1.00 14.34 N ATOM 573 CA PHE A 566 7.701 -36.457 -2.843 1.00 55.24 C ATOM 574 C PHE A 566 7.105 -37.836 -2.738 1.00 24.12 C ATOM 575 O PHE A 566 7.354 -38.530 -1.750 1.00 42.44 O ATOM 576 CB PHE A 566 8.873 -36.513 -3.795 1.00 52.32 C ATOM 577 CG PHE A 566 9.920 -37.537 -3.416 1.00 52.12 C ATOM 578 CD1 PHE A 566 10.981 -37.189 -2.560 1.00 52.14 C ATOM 579 CD2 PHE A 566 9.866 -38.849 -3.929 1.00 2.41 C ATOM 580 CE1 PHE A 566 11.976 -38.136 -2.212 1.00 22.43 C ATOM 581 CE2 PHE A 566 10.859 -39.801 -3.590 1.00 34.41 C ATOM 582 CZ PHE A 566 11.915 -39.442 -2.732 1.00 74.45 C ATOM 0 H PHE A 566 8.625 -36.829 -1.021 1.00 14.34 H new ATOM 0 HA PHE A 566 6.963 -35.741 -3.205 1.00 55.24 H new ATOM 0 HB2 PHE A 566 8.505 -36.737 -4.796 1.00 52.32 H new ATOM 0 HB3 PHE A 566 9.340 -35.529 -3.840 1.00 52.32 H new ATOM 0 HD1 PHE A 566 11.038 -36.186 -2.163 1.00 52.14 H new ATOM 0 HD2 PHE A 566 9.058 -39.132 -4.588 1.00 2.41 H new ATOM 0 HE1 PHE A 566 12.780 -37.856 -1.548 1.00 22.43 H new ATOM 0 HE2 PHE A 566 10.805 -40.803 -3.990 1.00 34.41 H new ATOM 0 HZ PHE A 566 12.675 -40.165 -2.474 1.00 74.45 H new ATOM 592 N ARG A 567 6.385 -38.258 -3.766 1.00 61.42 N ATOM 593 CA ARG A 567 5.911 -39.626 -3.853 1.00 44.04 C ATOM 594 C ARG A 567 5.669 -39.898 -5.313 1.00 2.24 C ATOM 595 O ARG A 567 5.365 -38.974 -6.074 1.00 42.23 O ATOM 596 CB ARG A 567 4.635 -39.838 -3.022 1.00 12.40 C ATOM 597 CG ARG A 567 3.438 -39.023 -3.478 1.00 30.22 C ATOM 598 CD ARG A 567 2.478 -39.881 -4.284 1.00 42.05 C ATOM 599 NE ARG A 567 1.540 -40.689 -3.472 1.00 11.33 N ATOM 600 CZ ARG A 567 0.833 -41.736 -3.914 1.00 21.22 C ATOM 601 NH1 ARG A 567 0.930 -42.202 -5.124 1.00 64.13 N ATOM 602 NH2 ARG A 567 0.010 -42.339 -3.105 1.00 75.24 N ATOM 0 H ARG A 567 6.117 -37.668 -4.554 1.00 61.42 H new ATOM 0 HA ARG A 567 6.647 -40.318 -3.443 1.00 44.04 H new ATOM 0 HB2 ARG A 567 4.370 -40.895 -3.051 1.00 12.40 H new ATOM 0 HB3 ARG A 567 4.850 -39.592 -1.982 1.00 12.40 H new ATOM 0 HG2 ARG A 567 2.923 -38.609 -2.611 1.00 30.22 H new ATOM 0 HG3 ARG A 567 3.775 -38.180 -4.082 1.00 30.22 H new ATOM 0 HD2 ARG A 567 1.901 -39.234 -4.945 1.00 42.05 H new ATOM 0 HD3 ARG A 567 3.057 -40.551 -4.920 1.00 42.05 H new ATOM 0 HE ARG A 567 1.423 -40.426 -2.494 1.00 11.33 H new ATOM 0 HH11 ARG A 567 1.569 -41.766 -5.789 1.00 64.13 H new ATOM 0 HH12 ARG A 567 0.367 -43.004 -5.408 1.00 64.13 H new ATOM 0 HH21 ARG A 567 -0.091 -42.013 -2.144 1.00 75.24 H new ATOM 0 HH22 ARG A 567 -0.533 -43.138 -3.432 1.00 75.24 H new ATOM 616 N THR A 568 5.743 -41.153 -5.690 1.00 64.32 N ATOM 617 CA THR A 568 5.519 -41.550 -7.062 1.00 5.41 C ATOM 618 C THR A 568 4.021 -41.624 -7.194 1.00 31.31 C ATOM 619 O THR A 568 3.374 -42.232 -6.376 1.00 15.13 O ATOM 620 CB THR A 568 6.117 -42.949 -7.301 1.00 74.51 C ATOM 621 OG1 THR A 568 7.523 -42.897 -7.093 1.00 42.10 O ATOM 622 CG2 THR A 568 5.909 -43.420 -8.670 1.00 51.42 C ATOM 0 H THR A 568 5.959 -41.925 -5.059 1.00 64.32 H new ATOM 0 HA THR A 568 5.974 -40.862 -7.774 1.00 5.41 H new ATOM 0 HB THR A 568 5.618 -43.628 -6.610 1.00 74.51 H new ATOM 0 HG1 THR A 568 7.707 -42.666 -6.159 1.00 42.10 H new ATOM 0 HG21 THR A 568 6.350 -44.410 -8.785 1.00 51.42 H new ATOM 0 HG22 THR A 568 4.840 -43.472 -8.879 1.00 51.42 H new ATOM 0 HG23 THR A 568 6.382 -42.729 -9.368 1.00 51.42 H new ATOM 630 N VAL A 569 3.476 -40.912 -8.163 1.00 64.21 N ATOM 631 CA VAL A 569 2.049 -40.874 -8.413 1.00 41.54 C ATOM 632 C VAL A 569 1.868 -41.697 -9.658 1.00 43.34 C ATOM 633 O VAL A 569 2.167 -41.277 -10.771 1.00 21.45 O ATOM 634 CB VAL A 569 1.520 -39.442 -8.703 1.00 11.11 C ATOM 635 CG1 VAL A 569 0.000 -39.471 -8.954 1.00 73.23 C ATOM 636 CG2 VAL A 569 1.816 -38.494 -7.551 1.00 63.41 C ATOM 0 H VAL A 569 4.020 -40.337 -8.806 1.00 64.21 H new ATOM 0 HA VAL A 569 1.506 -41.235 -7.540 1.00 41.54 H new ATOM 0 HB VAL A 569 2.035 -39.081 -9.593 1.00 11.11 H new ATOM 0 HG11 VAL A 569 -0.355 -38.460 -9.156 1.00 73.23 H new ATOM 0 HG12 VAL A 569 -0.215 -40.109 -9.811 1.00 73.23 H new ATOM 0 HG13 VAL A 569 -0.507 -39.864 -8.073 1.00 73.23 H new ATOM 0 HG21 VAL A 569 1.432 -37.502 -7.788 1.00 63.41 H new ATOM 0 HG22 VAL A 569 1.335 -38.862 -6.644 1.00 63.41 H new ATOM 0 HG23 VAL A 569 2.893 -38.438 -7.393 1.00 63.41 H new ATOM 646 N GLU A 570 1.380 -42.884 -9.448 1.00 4.04 N ATOM 647 CA GLU A 570 1.114 -43.807 -10.511 1.00 21.11 C ATOM 648 C GLU A 570 -0.186 -43.418 -11.215 1.00 5.02 C ATOM 649 O GLU A 570 -1.119 -42.915 -10.585 1.00 44.32 O ATOM 650 CB GLU A 570 1.088 -45.228 -9.944 1.00 21.44 C ATOM 651 CG GLU A 570 0.127 -45.506 -8.783 1.00 71.21 C ATOM 652 CD GLU A 570 0.474 -44.779 -7.459 1.00 12.24 C ATOM 653 OE1 GLU A 570 1.670 -44.585 -7.182 1.00 42.23 O ATOM 654 OE2 GLU A 570 -0.451 -44.289 -6.762 1.00 13.14 O ATOM 0 H GLU A 570 1.153 -43.243 -8.521 1.00 4.04 H new ATOM 0 HA GLU A 570 1.901 -43.772 -11.264 1.00 21.11 H new ATOM 0 HB2 GLU A 570 0.841 -45.911 -10.757 1.00 21.44 H new ATOM 0 HB3 GLU A 570 2.096 -45.478 -9.614 1.00 21.44 H new ATOM 0 HG2 GLU A 570 -0.879 -45.217 -9.086 1.00 71.21 H new ATOM 0 HG3 GLU A 570 0.107 -46.580 -8.596 1.00 71.21 H new ATOM 661 N GLY A 571 -0.216 -43.605 -12.528 1.00 61.12 N ATOM 662 CA GLY A 571 -1.418 -43.335 -13.307 1.00 14.32 C ATOM 663 C GLY A 571 -2.342 -44.529 -13.194 1.00 4.11 C ATOM 664 O GLY A 571 -3.087 -44.654 -12.223 1.00 25.00 O ATOM 0 H GLY A 571 0.576 -43.942 -13.075 1.00 61.12 H new ATOM 0 HA2 GLY A 571 -1.914 -42.436 -12.940 1.00 14.32 H new ATOM 0 HA3 GLY A 571 -1.160 -43.153 -14.350 1.00 14.32 H new ATOM 668 N THR A 572 -2.243 -45.460 -14.129 1.00 12.02 N ATOM 669 CA THR A 572 -2.869 -46.770 -13.945 1.00 74.34 C ATOM 670 C THR A 572 -1.686 -47.718 -13.950 1.00 24.21 C ATOM 671 O THR A 572 -1.077 -47.916 -14.966 1.00 10.33 O ATOM 672 CB THR A 572 -3.875 -47.114 -15.091 1.00 33.41 C ATOM 673 OG1 THR A 572 -3.774 -48.499 -15.426 1.00 34.11 O ATOM 674 CG2 THR A 572 -3.606 -46.295 -16.363 1.00 10.42 C ATOM 0 H THR A 572 -1.745 -45.342 -15.011 1.00 12.02 H new ATOM 0 HA THR A 572 -3.465 -46.823 -13.034 1.00 74.34 H new ATOM 0 HB THR A 572 -4.872 -46.871 -14.722 1.00 33.41 H new ATOM 0 HG1 THR A 572 -4.408 -48.709 -16.143 1.00 34.11 H new ATOM 0 HG21 THR A 572 -4.329 -46.568 -17.131 1.00 10.42 H new ATOM 0 HG22 THR A 572 -3.699 -45.233 -16.138 1.00 10.42 H new ATOM 0 HG23 THR A 572 -2.598 -46.503 -16.723 1.00 10.42 H new ATOM 682 N ALA A 573 -1.349 -48.315 -12.825 1.00 11.55 N ATOM 683 CA ALA A 573 -0.143 -49.133 -12.766 1.00 64.13 C ATOM 684 C ALA A 573 -0.256 -50.133 -11.652 1.00 42.25 C ATOM 685 O ALA A 573 -1.122 -50.013 -10.784 1.00 72.12 O ATOM 686 CB ALA A 573 1.086 -48.238 -12.531 1.00 75.22 C ATOM 0 H ALA A 573 -1.876 -48.255 -11.954 1.00 11.55 H new ATOM 0 HA ALA A 573 -0.029 -49.661 -13.713 1.00 64.13 H new ATOM 0 HB1 ALA A 573 1.983 -48.856 -12.488 1.00 75.22 H new ATOM 0 HB2 ALA A 573 1.177 -47.523 -13.348 1.00 75.22 H new ATOM 0 HB3 ALA A 573 0.970 -47.701 -11.590 1.00 75.22 H new ATOM 692 N LYS A 574 0.654 -51.091 -11.650 1.00 1.50 N ATOM 693 CA LYS A 574 0.695 -52.096 -10.612 1.00 30.02 C ATOM 694 C LYS A 574 1.238 -51.512 -9.305 1.00 32.25 C ATOM 695 O LYS A 574 0.888 -51.963 -8.217 1.00 73.45 O ATOM 696 CB LYS A 574 1.606 -53.216 -11.082 1.00 13.22 C ATOM 697 CG LYS A 574 1.349 -53.748 -12.510 1.00 22.22 C ATOM 698 CD LYS A 574 0.166 -54.698 -12.584 1.00 3.14 C ATOM 699 CE LYS A 574 0.169 -55.462 -13.914 1.00 63.33 C ATOM 700 NZ LYS A 574 1.416 -56.300 -14.084 1.00 13.53 N ATOM 0 H LYS A 574 1.377 -51.191 -12.362 1.00 1.50 H new ATOM 0 HA LYS A 574 -0.313 -52.465 -10.423 1.00 30.02 H new ATOM 0 HB2 LYS A 574 2.637 -52.866 -11.027 1.00 13.22 H new ATOM 0 HB3 LYS A 574 1.514 -54.048 -10.384 1.00 13.22 H new ATOM 0 HG2 LYS A 574 1.175 -52.906 -13.180 1.00 22.22 H new ATOM 0 HG3 LYS A 574 2.242 -54.260 -12.868 1.00 22.22 H new ATOM 0 HD2 LYS A 574 0.206 -55.403 -11.754 1.00 3.14 H new ATOM 0 HD3 LYS A 574 -0.764 -54.138 -12.482 1.00 3.14 H new ATOM 0 HE2 LYS A 574 -0.710 -56.105 -13.964 1.00 63.33 H new ATOM 0 HE3 LYS A 574 0.093 -54.754 -14.739 1.00 63.33 H new ATOM 0 HZ1 LYS A 574 1.196 -57.136 -14.662 1.00 13.53 H new ATOM 0 HZ2 LYS A 574 2.151 -55.736 -14.556 1.00 13.53 H new ATOM 0 HZ3 LYS A 574 1.759 -56.605 -13.151 1.00 13.53 H new ATOM 714 N GLY A 575 2.086 -50.497 -9.434 1.00 30.54 N ATOM 715 CA GLY A 575 2.718 -49.869 -8.284 1.00 54.40 C ATOM 716 C GLY A 575 3.554 -50.803 -7.434 1.00 52.01 C ATOM 717 O GLY A 575 3.961 -51.880 -7.874 1.00 10.20 O ATOM 0 H GLY A 575 2.352 -50.091 -10.331 1.00 30.54 H new ATOM 0 HA2 GLY A 575 3.351 -49.054 -8.634 1.00 54.40 H new ATOM 0 HA3 GLY A 575 1.944 -49.425 -7.658 1.00 54.40 H new ATOM 721 N GLY A 576 3.789 -50.402 -6.193 1.00 11.44 N ATOM 722 CA GLY A 576 4.516 -51.230 -5.248 1.00 43.54 C ATOM 723 C GLY A 576 5.959 -51.439 -5.640 1.00 41.34 C ATOM 724 O GLY A 576 6.788 -50.551 -5.513 1.00 71.15 O ATOM 0 H GLY A 576 3.484 -49.504 -5.818 1.00 11.44 H new ATOM 0 HA2 GLY A 576 4.476 -50.768 -4.262 1.00 43.54 H new ATOM 0 HA3 GLY A 576 4.023 -52.199 -5.167 1.00 43.54 H new ATOM 728 N GLY A 577 6.260 -52.659 -6.043 1.00 71.13 N ATOM 729 CA GLY A 577 7.565 -53.020 -6.579 1.00 40.35 C ATOM 730 C GLY A 577 7.431 -53.608 -7.966 1.00 61.40 C ATOM 731 O GLY A 577 8.326 -54.308 -8.402 1.00 31.22 O ATOM 0 H GLY A 577 5.601 -53.437 -6.008 1.00 71.13 H new ATOM 0 HA2 GLY A 577 8.206 -52.139 -6.613 1.00 40.35 H new ATOM 0 HA3 GLY A 577 8.048 -53.740 -5.919 1.00 40.35 H new ATOM 735 N GLU A 578 6.243 -53.503 -8.547 1.00 24.33 N ATOM 736 CA GLU A 578 5.912 -54.190 -9.799 1.00 4.10 C ATOM 737 C GLU A 578 6.081 -53.401 -11.108 1.00 41.44 C ATOM 738 O GLU A 578 6.758 -53.857 -12.007 1.00 74.32 O ATOM 739 CB GLU A 578 4.502 -54.737 -9.671 1.00 72.33 C ATOM 740 CG GLU A 578 4.062 -55.622 -10.835 1.00 22.44 C ATOM 741 CD GLU A 578 2.806 -56.450 -10.517 1.00 63.24 C ATOM 742 OE1 GLU A 578 2.366 -56.476 -9.346 1.00 10.55 O ATOM 743 OE2 GLU A 578 2.239 -57.055 -11.459 1.00 24.11 O ATOM 0 H GLU A 578 5.480 -52.942 -8.169 1.00 24.33 H new ATOM 0 HA GLU A 578 6.661 -54.974 -9.909 1.00 4.10 H new ATOM 0 HB2 GLU A 578 4.430 -55.310 -8.747 1.00 72.33 H new ATOM 0 HB3 GLU A 578 3.808 -53.902 -9.583 1.00 72.33 H new ATOM 0 HG2 GLU A 578 3.868 -54.997 -11.707 1.00 22.44 H new ATOM 0 HG3 GLU A 578 4.877 -56.295 -11.101 1.00 22.44 H new ATOM 750 N ASP A 579 5.424 -52.248 -11.242 1.00 3.24 N ATOM 751 CA ASP A 579 5.520 -51.459 -12.493 1.00 72.31 C ATOM 752 C ASP A 579 6.756 -50.585 -12.407 1.00 60.01 C ATOM 753 O ASP A 579 7.484 -50.331 -13.366 1.00 11.43 O ATOM 754 CB ASP A 579 4.314 -50.521 -12.568 1.00 20.42 C ATOM 755 CG ASP A 579 3.764 -50.364 -13.955 1.00 44.14 C ATOM 756 OD1 ASP A 579 4.362 -49.651 -14.782 1.00 14.21 O ATOM 757 OD2 ASP A 579 2.608 -50.813 -14.141 1.00 25.24 O ATOM 0 H ASP A 579 4.829 -51.838 -10.522 1.00 3.24 H new ATOM 0 HA ASP A 579 5.558 -52.125 -13.355 1.00 72.31 H new ATOM 0 HB2 ASP A 579 3.528 -50.900 -11.915 1.00 20.42 H new ATOM 0 HB3 ASP A 579 4.601 -49.541 -12.186 1.00 20.42 H new ATOM 762 N PHE A 580 6.983 -50.158 -11.182 1.00 71.35 N ATOM 763 CA PHE A 580 8.091 -49.306 -10.808 1.00 71.12 C ATOM 764 C PHE A 580 7.923 -49.263 -9.316 1.00 32.12 C ATOM 765 O PHE A 580 6.890 -49.695 -8.795 1.00 23.31 O ATOM 766 CB PHE A 580 8.000 -47.893 -11.418 1.00 4.54 C ATOM 767 CG PHE A 580 6.609 -47.348 -11.496 1.00 10.42 C ATOM 768 CD1 PHE A 580 5.970 -46.826 -10.358 1.00 53.32 C ATOM 769 CD2 PHE A 580 5.928 -47.343 -12.726 1.00 34.01 C ATOM 770 CE1 PHE A 580 4.656 -46.317 -10.445 1.00 62.01 C ATOM 771 CE2 PHE A 580 4.620 -46.837 -12.827 1.00 11.13 C ATOM 772 CZ PHE A 580 3.983 -46.325 -11.689 1.00 14.02 C ATOM 0 H PHE A 580 6.382 -50.403 -10.395 1.00 71.35 H new ATOM 0 HA PHE A 580 9.056 -49.673 -11.157 1.00 71.12 H new ATOM 0 HB2 PHE A 580 8.612 -47.213 -10.825 1.00 4.54 H new ATOM 0 HB3 PHE A 580 8.427 -47.914 -12.421 1.00 4.54 H new ATOM 0 HD1 PHE A 580 6.488 -46.814 -9.410 1.00 53.32 H new ATOM 0 HD2 PHE A 580 6.417 -47.734 -13.606 1.00 34.01 H new ATOM 0 HE1 PHE A 580 4.167 -45.923 -9.566 1.00 62.01 H new ATOM 0 HE2 PHE A 580 4.108 -46.843 -13.778 1.00 11.13 H new ATOM 0 HZ PHE A 580 2.978 -45.936 -11.762 1.00 14.02 H new ATOM 782 N GLU A 581 8.922 -48.769 -8.619 1.00 35.34 N ATOM 783 CA GLU A 581 8.818 -48.676 -7.168 1.00 12.10 C ATOM 784 C GLU A 581 7.942 -47.510 -6.701 1.00 70.33 C ATOM 785 O GLU A 581 8.015 -46.401 -7.247 1.00 54.13 O ATOM 786 CB GLU A 581 10.193 -48.537 -6.529 1.00 41.12 C ATOM 787 CG GLU A 581 10.908 -49.866 -6.349 1.00 53.40 C ATOM 788 CD GLU A 581 12.205 -49.707 -5.556 1.00 40.21 C ATOM 789 OE1 GLU A 581 12.682 -48.554 -5.393 1.00 20.23 O ATOM 790 OE2 GLU A 581 12.800 -50.731 -5.144 1.00 45.02 O ATOM 0 H GLU A 581 9.799 -48.431 -9.015 1.00 35.34 H new ATOM 0 HA GLU A 581 8.344 -49.605 -6.849 1.00 12.10 H new ATOM 0 HB2 GLU A 581 10.808 -47.882 -7.146 1.00 41.12 H new ATOM 0 HB3 GLU A 581 10.088 -48.054 -5.557 1.00 41.12 H new ATOM 0 HG2 GLU A 581 10.250 -50.566 -5.834 1.00 53.40 H new ATOM 0 HG3 GLU A 581 11.129 -50.296 -7.326 1.00 53.40 H new ATOM 797 N ASP A 582 7.206 -47.746 -5.619 1.00 73.04 N ATOM 798 CA ASP A 582 6.495 -46.685 -4.893 1.00 64.31 C ATOM 799 C ASP A 582 7.556 -45.873 -4.169 1.00 1.31 C ATOM 800 O ASP A 582 7.910 -46.142 -3.019 1.00 73.33 O ATOM 801 CB ASP A 582 5.553 -47.230 -3.821 1.00 23.34 C ATOM 802 CG ASP A 582 4.265 -47.794 -4.379 1.00 55.13 C ATOM 803 OD1 ASP A 582 3.957 -47.594 -5.569 1.00 5.31 O ATOM 804 OD2 ASP A 582 3.538 -48.445 -3.597 1.00 54.24 O ATOM 0 H ASP A 582 7.082 -48.675 -5.217 1.00 73.04 H new ATOM 0 HA ASP A 582 5.903 -46.115 -5.609 1.00 64.31 H new ATOM 0 HB2 ASP A 582 6.068 -48.009 -3.258 1.00 23.34 H new ATOM 0 HB3 ASP A 582 5.316 -46.432 -3.117 1.00 23.34 H new ATOM 809 N ALA A 583 8.119 -44.922 -4.874 1.00 72.13 N ATOM 810 CA ALA A 583 9.250 -44.175 -4.377 1.00 75.14 C ATOM 811 C ALA A 583 8.817 -42.863 -3.730 1.00 51.54 C ATOM 812 O ALA A 583 8.451 -41.900 -4.408 1.00 30.32 O ATOM 813 CB ALA A 583 10.248 -43.942 -5.481 1.00 35.13 C ATOM 0 H ALA A 583 7.808 -44.644 -5.805 1.00 72.13 H new ATOM 0 HA ALA A 583 9.732 -44.767 -3.599 1.00 75.14 H new ATOM 0 HB1 ALA A 583 11.096 -43.378 -5.092 1.00 35.13 H new ATOM 0 HB2 ALA A 583 10.596 -44.901 -5.865 1.00 35.13 H new ATOM 0 HB3 ALA A 583 9.776 -43.379 -6.286 1.00 35.13 H new ATOM 819 N TYR A 584 8.862 -42.826 -2.410 1.00 65.05 N ATOM 820 CA TYR A 584 8.486 -41.636 -1.664 1.00 23.54 C ATOM 821 C TYR A 584 9.476 -41.371 -0.545 1.00 31.41 C ATOM 822 O TYR A 584 10.027 -42.297 0.046 1.00 54.23 O ATOM 823 CB TYR A 584 7.071 -41.802 -1.099 1.00 21.42 C ATOM 824 CG TYR A 584 6.852 -43.091 -0.336 1.00 74.42 C ATOM 825 CD1 TYR A 584 7.089 -43.168 1.052 1.00 21.04 C ATOM 826 CD2 TYR A 584 6.394 -44.247 -1.003 1.00 72.33 C ATOM 827 CE1 TYR A 584 6.879 -44.386 1.759 1.00 32.13 C ATOM 828 CE2 TYR A 584 6.189 -45.460 -0.303 1.00 4.43 C ATOM 829 CZ TYR A 584 6.434 -45.518 1.070 1.00 13.11 C ATOM 830 OH TYR A 584 6.234 -46.696 1.744 1.00 31.33 O ATOM 0 H TYR A 584 9.157 -43.611 -1.829 1.00 65.05 H new ATOM 0 HA TYR A 584 8.500 -40.780 -2.339 1.00 23.54 H new ATOM 0 HB2 TYR A 584 6.855 -40.962 -0.439 1.00 21.42 H new ATOM 0 HB3 TYR A 584 6.356 -41.754 -1.921 1.00 21.42 H new ATOM 0 HD1 TYR A 584 7.433 -42.294 1.584 1.00 21.04 H new ATOM 0 HD2 TYR A 584 6.197 -44.206 -2.064 1.00 72.33 H new ATOM 0 HE1 TYR A 584 7.063 -44.435 2.822 1.00 32.13 H new ATOM 0 HE2 TYR A 584 5.844 -46.338 -0.829 1.00 4.43 H new ATOM 0 HH TYR A 584 5.923 -47.383 1.118 1.00 31.33 H new ATOM 840 N GLY A 585 9.713 -40.102 -0.254 1.00 25.01 N ATOM 841 CA GLY A 585 10.612 -39.751 0.830 1.00 65.42 C ATOM 842 C GLY A 585 10.635 -38.257 1.003 1.00 3.11 C ATOM 843 O GLY A 585 9.864 -37.561 0.351 1.00 0.33 O ATOM 0 H GLY A 585 9.301 -39.309 -0.746 1.00 25.01 H new ATOM 0 HA2 GLY A 585 10.288 -40.229 1.754 1.00 65.42 H new ATOM 0 HA3 GLY A 585 11.616 -40.118 0.617 1.00 65.42 H new ATOM 847 N GLU A 586 11.529 -37.759 1.843 1.00 10.44 N ATOM 848 CA GLU A 586 11.711 -36.318 2.021 1.00 51.23 C ATOM 849 C GLU A 586 13.108 -35.936 1.589 1.00 53.02 C ATOM 850 O GLU A 586 14.055 -36.707 1.726 1.00 41.35 O ATOM 851 CB GLU A 586 11.483 -35.879 3.471 1.00 52.33 C ATOM 852 CG GLU A 586 10.016 -35.734 3.811 1.00 24.55 C ATOM 853 CD GLU A 586 9.752 -34.831 5.005 1.00 4.44 C ATOM 854 OE1 GLU A 586 10.496 -34.875 6.001 1.00 33.04 O ATOM 855 OE2 GLU A 586 8.774 -34.048 4.929 1.00 53.54 O ATOM 0 H GLU A 586 12.146 -38.332 2.418 1.00 10.44 H new ATOM 0 HA GLU A 586 10.968 -35.810 1.406 1.00 51.23 H new ATOM 0 HB2 GLU A 586 11.938 -36.607 4.143 1.00 52.33 H new ATOM 0 HB3 GLU A 586 11.988 -34.928 3.643 1.00 52.33 H new ATOM 0 HG2 GLU A 586 9.488 -35.338 2.943 1.00 24.55 H new ATOM 0 HG3 GLU A 586 9.600 -36.721 4.014 1.00 24.55 H new ATOM 862 N LEU A 587 13.213 -34.733 1.053 1.00 63.32 N ATOM 863 CA LEU A 587 14.460 -34.193 0.557 1.00 61.11 C ATOM 864 C LEU A 587 14.729 -32.943 1.354 1.00 64.42 C ATOM 865 O LEU A 587 13.859 -32.088 1.452 1.00 50.35 O ATOM 866 CB LEU A 587 14.282 -33.775 -0.897 1.00 23.14 C ATOM 867 CG LEU A 587 13.786 -34.813 -1.897 1.00 40.14 C ATOM 868 CD1 LEU A 587 13.220 -34.073 -3.077 1.00 54.12 C ATOM 869 CD2 LEU A 587 14.865 -35.750 -2.364 1.00 14.45 C ATOM 0 H LEU A 587 12.422 -34.097 0.950 1.00 63.32 H new ATOM 0 HA LEU A 587 15.263 -34.926 0.640 1.00 61.11 H new ATOM 0 HB2 LEU A 587 13.587 -32.936 -0.918 1.00 23.14 H new ATOM 0 HB3 LEU A 587 15.242 -33.402 -1.255 1.00 23.14 H new ATOM 0 HG LEU A 587 13.037 -35.431 -1.403 1.00 40.14 H new ATOM 0 HD11 LEU A 587 12.855 -34.788 -3.814 1.00 54.12 H new ATOM 0 HD12 LEU A 587 12.397 -33.439 -2.748 1.00 54.12 H new ATOM 0 HD13 LEU A 587 13.997 -33.455 -3.526 1.00 54.12 H new ATOM 0 HD21 LEU A 587 14.446 -36.463 -3.074 1.00 14.45 H new ATOM 0 HD22 LEU A 587 15.658 -35.180 -2.848 1.00 14.45 H new ATOM 0 HD23 LEU A 587 15.275 -36.287 -1.509 1.00 14.45 H new ATOM 881 N GLU A 588 15.919 -32.805 1.896 1.00 24.22 N ATOM 882 CA GLU A 588 16.282 -31.568 2.561 1.00 21.44 C ATOM 883 C GLU A 588 16.976 -30.679 1.541 1.00 55.20 C ATOM 884 O GLU A 588 17.757 -31.138 0.705 1.00 73.12 O ATOM 885 CB GLU A 588 17.139 -31.822 3.812 1.00 51.03 C ATOM 886 CG GLU A 588 18.540 -32.372 3.568 1.00 21.22 C ATOM 887 CD GLU A 588 19.614 -31.367 3.956 1.00 2.41 C ATOM 888 OE1 GLU A 588 19.690 -30.283 3.331 1.00 32.31 O ATOM 889 OE2 GLU A 588 20.369 -31.639 4.916 1.00 61.34 O ATOM 0 H GLU A 588 16.645 -33.522 1.892 1.00 24.22 H new ATOM 0 HA GLU A 588 15.390 -31.062 2.930 1.00 21.44 H new ATOM 0 HB2 GLU A 588 17.230 -30.885 4.361 1.00 51.03 H new ATOM 0 HB3 GLU A 588 16.605 -32.519 4.457 1.00 51.03 H new ATOM 0 HG2 GLU A 588 18.676 -33.289 4.141 1.00 21.22 H new ATOM 0 HG3 GLU A 588 18.650 -32.634 2.516 1.00 21.22 H new ATOM 896 N PHE A 589 16.630 -29.409 1.587 1.00 71.21 N ATOM 897 CA PHE A 589 17.213 -28.397 0.719 1.00 3.11 C ATOM 898 C PHE A 589 17.766 -27.336 1.658 1.00 33.44 C ATOM 899 O PHE A 589 17.015 -26.685 2.386 1.00 72.42 O ATOM 900 CB PHE A 589 16.143 -27.763 -0.176 1.00 72.11 C ATOM 901 CG PHE A 589 15.577 -28.690 -1.227 1.00 52.02 C ATOM 902 CD1 PHE A 589 14.578 -29.633 -0.914 1.00 50.31 C ATOM 903 CD2 PHE A 589 16.006 -28.584 -2.564 1.00 12.01 C ATOM 904 CE1 PHE A 589 14.014 -30.442 -1.919 1.00 4.12 C ATOM 905 CE2 PHE A 589 15.443 -29.390 -3.569 1.00 23.13 C ATOM 906 CZ PHE A 589 14.447 -30.324 -3.239 1.00 33.31 C ATOM 0 H PHE A 589 15.930 -29.043 2.233 1.00 71.21 H new ATOM 0 HA PHE A 589 17.974 -28.827 0.068 1.00 3.11 H new ATOM 0 HB2 PHE A 589 15.327 -27.405 0.452 1.00 72.11 H new ATOM 0 HB3 PHE A 589 16.571 -26.891 -0.671 1.00 72.11 H new ATOM 0 HD1 PHE A 589 14.241 -29.736 0.107 1.00 50.31 H new ATOM 0 HD2 PHE A 589 16.778 -27.874 -2.821 1.00 12.01 H new ATOM 0 HE1 PHE A 589 13.244 -31.156 -1.667 1.00 4.12 H new ATOM 0 HE2 PHE A 589 15.775 -29.291 -4.592 1.00 23.13 H new ATOM 0 HZ PHE A 589 14.017 -30.950 -4.007 1.00 33.31 H new ATOM 916 N LYS A 590 19.073 -27.152 1.630 1.00 61.01 N ATOM 917 CA LYS A 590 19.759 -26.258 2.565 1.00 54.43 C ATOM 918 C LYS A 590 20.566 -25.221 1.808 1.00 44.11 C ATOM 919 O LYS A 590 21.669 -25.490 1.355 1.00 55.42 O ATOM 920 CB LYS A 590 20.642 -27.117 3.465 1.00 23.11 C ATOM 921 CG LYS A 590 21.435 -26.372 4.523 1.00 14.31 C ATOM 922 CD LYS A 590 21.936 -27.332 5.625 1.00 2.42 C ATOM 923 CE LYS A 590 22.938 -28.382 5.103 1.00 62.35 C ATOM 924 NZ LYS A 590 22.294 -29.622 4.527 1.00 12.31 N ATOM 0 H LYS A 590 19.693 -27.613 0.964 1.00 61.01 H new ATOM 0 HA LYS A 590 19.042 -25.711 3.177 1.00 54.43 H new ATOM 0 HB2 LYS A 590 20.012 -27.854 3.963 1.00 23.11 H new ATOM 0 HB3 LYS A 590 21.341 -27.668 2.836 1.00 23.11 H new ATOM 0 HG2 LYS A 590 22.285 -25.872 4.059 1.00 14.31 H new ATOM 0 HG3 LYS A 590 20.813 -25.596 4.968 1.00 14.31 H new ATOM 0 HD2 LYS A 590 22.408 -26.751 6.418 1.00 2.42 H new ATOM 0 HD3 LYS A 590 21.082 -27.843 6.069 1.00 2.42 H new ATOM 0 HE2 LYS A 590 23.563 -27.922 4.337 1.00 62.35 H new ATOM 0 HE3 LYS A 590 23.598 -28.675 5.919 1.00 62.35 H new ATOM 0 HZ1 LYS A 590 22.424 -30.418 5.184 1.00 12.31 H new ATOM 0 HZ2 LYS A 590 21.278 -29.452 4.386 1.00 12.31 H new ATOM 0 HZ3 LYS A 590 22.737 -29.851 3.614 1.00 12.31 H new ATOM 938 N ASN A 591 19.964 -24.048 1.653 1.00 22.01 N ATOM 939 CA ASN A 591 20.507 -22.908 0.915 1.00 42.12 C ATOM 940 C ASN A 591 21.079 -23.208 -0.486 1.00 52.01 C ATOM 941 O ASN A 591 20.375 -23.041 -1.480 1.00 44.54 O ATOM 942 CB ASN A 591 21.521 -22.171 1.792 1.00 21.34 C ATOM 943 CG ASN A 591 21.928 -20.839 1.212 1.00 20.35 C ATOM 944 OD1 ASN A 591 23.076 -20.624 0.901 1.00 14.22 O ATOM 945 ND2 ASN A 591 20.985 -19.943 1.071 1.00 43.12 N ATOM 0 H ASN A 591 19.046 -23.854 2.054 1.00 22.01 H new ATOM 0 HA ASN A 591 19.650 -22.271 0.695 1.00 42.12 H new ATOM 0 HB2 ASN A 591 21.095 -22.017 2.783 1.00 21.34 H new ATOM 0 HB3 ASN A 591 22.406 -22.794 1.919 1.00 21.34 H new ATOM 0 HD21 ASN A 591 21.207 -19.025 0.687 1.00 43.12 H new ATOM 0 HD22 ASN A 591 20.027 -20.163 1.345 1.00 43.12 H new ATOM 952 N ASP A 592 22.335 -23.617 -0.546 1.00 63.42 N ATOM 953 CA ASP A 592 23.048 -23.903 -1.805 1.00 33.13 C ATOM 954 C ASP A 592 22.732 -25.310 -2.343 1.00 50.22 C ATOM 955 O ASP A 592 22.798 -25.580 -3.535 1.00 23.22 O ATOM 956 CB ASP A 592 24.555 -23.764 -1.594 1.00 63.43 C ATOM 957 CG ASP A 592 25.301 -23.509 -2.892 1.00 14.10 C ATOM 958 OD1 ASP A 592 24.758 -22.787 -3.760 1.00 4.14 O ATOM 959 OD2 ASP A 592 26.449 -23.976 -3.020 1.00 43.13 O ATOM 0 H ASP A 592 22.907 -23.766 0.285 1.00 63.42 H new ATOM 0 HA ASP A 592 22.706 -23.179 -2.544 1.00 33.13 H new ATOM 0 HB2 ASP A 592 24.748 -22.945 -0.901 1.00 63.43 H new ATOM 0 HB3 ASP A 592 24.939 -24.672 -1.130 1.00 63.43 H new ATOM 964 N GLU A 593 22.304 -26.175 -1.437 1.00 51.31 N ATOM 965 CA GLU A 593 21.819 -27.542 -1.721 1.00 55.21 C ATOM 966 C GLU A 593 20.507 -27.600 -2.512 1.00 2.43 C ATOM 967 O GLU A 593 19.752 -28.564 -2.421 1.00 4.22 O ATOM 968 CB GLU A 593 21.755 -28.401 -0.471 1.00 60.33 C ATOM 969 CG GLU A 593 23.128 -28.619 0.159 1.00 35.32 C ATOM 970 CD GLU A 593 23.169 -29.837 1.068 1.00 12.45 C ATOM 971 OE1 GLU A 593 22.640 -30.902 0.674 1.00 73.24 O ATOM 972 OE2 GLU A 593 23.748 -29.739 2.170 1.00 24.21 O ATOM 0 H GLU A 593 22.279 -25.948 -0.443 1.00 51.31 H new ATOM 0 HA GLU A 593 22.574 -27.967 -2.383 1.00 55.21 H new ATOM 0 HB2 GLU A 593 21.096 -27.929 0.257 1.00 60.33 H new ATOM 0 HB3 GLU A 593 21.315 -29.367 -0.720 1.00 60.33 H new ATOM 0 HG2 GLU A 593 23.871 -28.734 -0.630 1.00 35.32 H new ATOM 0 HG3 GLU A 593 23.405 -27.734 0.731 1.00 35.32 H new ATOM 979 N THR A 594 20.154 -26.490 -3.135 1.00 32.40 N ATOM 980 CA THR A 594 18.858 -26.278 -3.760 1.00 64.13 C ATOM 981 C THR A 594 18.735 -27.126 -5.011 1.00 75.51 C ATOM 982 O THR A 594 17.653 -27.257 -5.585 1.00 41.12 O ATOM 983 CB THR A 594 18.781 -24.806 -4.251 1.00 64.12 C ATOM 984 OG1 THR A 594 17.942 -24.701 -5.402 1.00 50.41 O ATOM 985 CG2 THR A 594 20.143 -24.267 -4.682 1.00 30.34 C ATOM 0 H THR A 594 20.778 -25.688 -3.223 1.00 32.40 H new ATOM 0 HA THR A 594 18.083 -26.525 -3.035 1.00 64.13 H new ATOM 0 HB THR A 594 18.394 -24.236 -3.406 1.00 64.12 H new ATOM 0 HG1 THR A 594 18.250 -23.960 -5.965 1.00 50.41 H new ATOM 0 HG21 THR A 594 20.037 -23.235 -5.017 1.00 30.34 H new ATOM 0 HG22 THR A 594 20.833 -24.306 -3.839 1.00 30.34 H new ATOM 0 HG23 THR A 594 20.533 -24.875 -5.498 1.00 30.34 H new ATOM 993 N VAL A 595 19.824 -27.772 -5.377 1.00 22.54 N ATOM 994 CA VAL A 595 19.812 -28.727 -6.468 1.00 54.40 C ATOM 995 C VAL A 595 19.713 -30.085 -5.810 1.00 73.42 C ATOM 996 O VAL A 595 20.626 -30.518 -5.103 1.00 45.44 O ATOM 997 CB VAL A 595 21.105 -28.642 -7.325 1.00 10.22 C ATOM 998 CG1 VAL A 595 20.891 -29.329 -8.680 1.00 34.35 C ATOM 999 CG2 VAL A 595 21.527 -27.175 -7.520 1.00 71.24 C ATOM 0 H VAL A 595 20.734 -27.652 -4.932 1.00 22.54 H new ATOM 0 HA VAL A 595 18.983 -28.530 -7.148 1.00 54.40 H new ATOM 0 HB VAL A 595 21.907 -29.160 -6.798 1.00 10.22 H new ATOM 0 HG11 VAL A 595 21.805 -29.262 -9.270 1.00 34.35 H new ATOM 0 HG12 VAL A 595 20.638 -30.377 -8.521 1.00 34.35 H new ATOM 0 HG13 VAL A 595 20.078 -28.837 -9.213 1.00 34.35 H new ATOM 0 HG21 VAL A 595 22.434 -27.134 -8.123 1.00 71.24 H new ATOM 0 HG22 VAL A 595 20.730 -26.631 -8.027 1.00 71.24 H new ATOM 0 HG23 VAL A 595 21.716 -26.719 -6.548 1.00 71.24 H new ATOM 1009 N LYS A 596 18.581 -30.742 -5.993 1.00 20.52 N ATOM 1010 CA LYS A 596 18.366 -32.048 -5.387 1.00 64.44 C ATOM 1011 C LYS A 596 17.614 -32.892 -6.368 1.00 42.33 C ATOM 1012 O LYS A 596 17.150 -32.384 -7.379 1.00 3.03 O ATOM 1013 CB LYS A 596 17.589 -31.902 -4.079 1.00 13.22 C ATOM 1014 CG LYS A 596 17.749 -33.065 -3.091 1.00 60.12 C ATOM 1015 CD LYS A 596 19.191 -33.289 -2.634 1.00 42.33 C ATOM 1016 CE LYS A 596 19.692 -32.078 -1.859 1.00 3.31 C ATOM 1017 NZ LYS A 596 20.897 -32.358 -1.005 1.00 31.20 N ATOM 0 H LYS A 596 17.800 -30.397 -6.552 1.00 20.52 H new ATOM 0 HA LYS A 596 19.319 -32.521 -5.149 1.00 64.44 H new ATOM 0 HB2 LYS A 596 17.906 -30.982 -3.587 1.00 13.22 H new ATOM 0 HB3 LYS A 596 16.531 -31.789 -4.314 1.00 13.22 H new ATOM 0 HG2 LYS A 596 17.125 -32.876 -2.217 1.00 60.12 H new ATOM 0 HG3 LYS A 596 17.378 -33.979 -3.556 1.00 60.12 H new ATOM 0 HD2 LYS A 596 19.247 -34.179 -2.008 1.00 42.33 H new ATOM 0 HD3 LYS A 596 19.831 -33.466 -3.499 1.00 42.33 H new ATOM 0 HE2 LYS A 596 19.935 -31.283 -2.564 1.00 3.31 H new ATOM 0 HE3 LYS A 596 18.887 -31.707 -1.224 1.00 3.31 H new ATOM 0 HZ1 LYS A 596 21.160 -31.498 -0.483 1.00 31.20 H new ATOM 0 HZ2 LYS A 596 20.676 -33.119 -0.331 1.00 31.20 H new ATOM 0 HZ3 LYS A 596 21.691 -32.652 -1.610 1.00 31.20 H new ATOM 1031 N THR A 597 17.522 -34.177 -6.103 1.00 50.41 N ATOM 1032 CA THR A 597 16.939 -35.095 -7.044 1.00 64.34 C ATOM 1033 C THR A 597 16.047 -36.137 -6.390 1.00 42.11 C ATOM 1034 O THR A 597 16.254 -36.508 -5.237 1.00 31.44 O ATOM 1035 CB THR A 597 18.071 -35.832 -7.727 1.00 31.43 C ATOM 1036 OG1 THR A 597 19.294 -35.574 -7.030 1.00 31.25 O ATOM 1037 CG2 THR A 597 18.256 -35.406 -9.177 1.00 62.13 C ATOM 0 H THR A 597 17.847 -34.607 -5.237 1.00 50.41 H new ATOM 0 HA THR A 597 16.324 -34.515 -7.732 1.00 64.34 H new ATOM 0 HB THR A 597 17.816 -36.892 -7.711 1.00 31.43 H new ATOM 0 HG1 THR A 597 20.028 -36.052 -7.470 1.00 31.25 H new ATOM 0 HG21 THR A 597 19.081 -35.966 -9.618 1.00 62.13 H new ATOM 0 HG22 THR A 597 17.341 -35.607 -9.735 1.00 62.13 H new ATOM 0 HG23 THR A 597 18.479 -34.340 -9.217 1.00 62.13 H new ATOM 1045 N ILE A 598 15.081 -36.623 -7.153 1.00 34.20 N ATOM 1046 CA ILE A 598 14.179 -37.694 -6.731 1.00 44.33 C ATOM 1047 C ILE A 598 14.460 -38.871 -7.619 1.00 53.33 C ATOM 1048 O ILE A 598 14.447 -38.737 -8.824 1.00 45.13 O ATOM 1049 CB ILE A 598 12.693 -37.308 -6.915 1.00 53.31 C ATOM 1050 CG1 ILE A 598 12.354 -36.223 -5.894 1.00 2.40 C ATOM 1051 CG2 ILE A 598 11.775 -38.577 -6.781 1.00 72.14 C ATOM 1052 CD1 ILE A 598 11.030 -35.524 -6.084 1.00 21.01 C ATOM 0 H ILE A 598 14.895 -36.283 -8.097 1.00 34.20 H new ATOM 0 HA ILE A 598 14.345 -37.903 -5.674 1.00 44.33 H new ATOM 0 HB ILE A 598 12.515 -36.911 -7.914 1.00 53.31 H new ATOM 0 HG12 ILE A 598 12.366 -36.671 -4.900 1.00 2.40 H new ATOM 0 HG13 ILE A 598 13.144 -35.473 -5.915 1.00 2.40 H new ATOM 0 HG21 ILE A 598 10.732 -38.288 -6.913 1.00 72.14 H new ATOM 0 HG22 ILE A 598 12.049 -39.306 -7.544 1.00 72.14 H new ATOM 0 HG23 ILE A 598 11.907 -39.019 -5.793 1.00 72.14 H new ATOM 0 HD11 ILE A 598 10.898 -34.776 -5.302 1.00 21.01 H new ATOM 0 HD12 ILE A 598 11.012 -35.037 -7.059 1.00 21.01 H new ATOM 0 HD13 ILE A 598 10.222 -36.254 -6.028 1.00 21.01 H new ATOM 1064 N ARG A 599 14.692 -40.019 -7.006 1.00 31.30 N ATOM 1065 CA ARG A 599 14.959 -41.261 -7.735 1.00 64.13 C ATOM 1066 C ARG A 599 13.825 -42.262 -7.590 1.00 64.40 C ATOM 1067 O ARG A 599 13.406 -42.560 -6.477 1.00 14.20 O ATOM 1068 CB ARG A 599 16.259 -41.903 -7.240 1.00 35.15 C ATOM 1069 CG ARG A 599 17.458 -41.434 -8.028 1.00 25.02 C ATOM 1070 CD ARG A 599 18.729 -42.181 -7.703 1.00 64.55 C ATOM 1071 NE ARG A 599 19.300 -41.753 -6.418 1.00 21.35 N ATOM 1072 CZ ARG A 599 20.477 -42.137 -5.942 1.00 33.21 C ATOM 1073 NH1 ARG A 599 21.257 -42.971 -6.590 1.00 32.01 N ATOM 1074 NH2 ARG A 599 20.879 -41.674 -4.791 1.00 34.31 N ATOM 0 H ARG A 599 14.702 -40.123 -5.991 1.00 31.30 H new ATOM 0 HA ARG A 599 15.051 -40.997 -8.788 1.00 64.13 H new ATOM 0 HB2 ARG A 599 16.402 -41.665 -6.186 1.00 35.15 H new ATOM 0 HB3 ARG A 599 16.179 -42.988 -7.314 1.00 35.15 H new ATOM 0 HG2 ARG A 599 17.247 -41.541 -9.092 1.00 25.02 H new ATOM 0 HG3 ARG A 599 17.613 -40.372 -7.839 1.00 25.02 H new ATOM 0 HD2 ARG A 599 18.524 -43.251 -7.671 1.00 64.55 H new ATOM 0 HD3 ARG A 599 19.458 -42.020 -8.497 1.00 64.55 H new ATOM 0 HE ARG A 599 18.749 -41.111 -5.848 1.00 21.35 H new ATOM 0 HH11 ARG A 599 20.964 -43.347 -7.492 1.00 32.01 H new ATOM 0 HH12 ARG A 599 22.156 -43.243 -6.191 1.00 32.01 H new ATOM 0 HH21 ARG A 599 20.290 -41.025 -4.269 1.00 34.31 H new ATOM 0 HH22 ARG A 599 21.782 -41.961 -4.413 1.00 34.31 H new ATOM 1088 N VAL A 600 13.362 -42.792 -8.717 1.00 30.34 N ATOM 1089 CA VAL A 600 12.304 -43.815 -8.738 1.00 52.13 C ATOM 1090 C VAL A 600 12.757 -44.991 -9.607 1.00 23.14 C ATOM 1091 O VAL A 600 12.968 -44.826 -10.805 1.00 2.02 O ATOM 1092 CB VAL A 600 10.968 -43.236 -9.324 1.00 75.42 C ATOM 1093 CG1 VAL A 600 9.878 -44.278 -9.324 1.00 34.23 C ATOM 1094 CG2 VAL A 600 10.553 -41.968 -8.569 1.00 4.42 C ATOM 0 H VAL A 600 13.703 -42.531 -9.642 1.00 30.34 H new ATOM 0 HA VAL A 600 12.123 -44.142 -7.714 1.00 52.13 H new ATOM 0 HB VAL A 600 11.139 -42.957 -10.364 1.00 75.42 H new ATOM 0 HG11 VAL A 600 8.964 -43.849 -9.735 1.00 34.23 H new ATOM 0 HG12 VAL A 600 10.186 -45.127 -9.934 1.00 34.23 H new ATOM 0 HG13 VAL A 600 9.694 -44.612 -8.303 1.00 34.23 H new ATOM 0 HG21 VAL A 600 9.625 -41.581 -8.990 1.00 4.42 H new ATOM 0 HG22 VAL A 600 10.403 -42.204 -7.516 1.00 4.42 H new ATOM 0 HG23 VAL A 600 11.336 -41.215 -8.664 1.00 4.42 H new ATOM 1104 N LYS A 601 12.963 -46.158 -9.001 1.00 55.02 N ATOM 1105 CA LYS A 601 13.382 -47.343 -9.767 1.00 24.22 C ATOM 1106 C LYS A 601 12.282 -47.776 -10.711 1.00 4.52 C ATOM 1107 O LYS A 601 11.114 -47.759 -10.339 1.00 44.21 O ATOM 1108 CB LYS A 601 13.692 -48.539 -8.874 1.00 5.01 C ATOM 1109 CG LYS A 601 14.874 -48.374 -7.952 1.00 35.23 C ATOM 1110 CD LYS A 601 15.334 -49.758 -7.497 1.00 51.43 C ATOM 1111 CE LYS A 601 16.188 -49.696 -6.244 1.00 65.31 C ATOM 1112 NZ LYS A 601 15.313 -49.484 -5.045 1.00 3.15 N ATOM 0 H LYS A 601 12.851 -46.314 -7.999 1.00 55.02 H new ATOM 0 HA LYS A 601 14.283 -47.047 -10.304 1.00 24.22 H new ATOM 0 HB2 LYS A 601 12.811 -48.757 -8.271 1.00 5.01 H new ATOM 0 HB3 LYS A 601 13.867 -49.408 -9.508 1.00 5.01 H new ATOM 0 HG2 LYS A 601 15.684 -47.856 -8.465 1.00 35.23 H new ATOM 0 HG3 LYS A 601 14.600 -47.764 -7.091 1.00 35.23 H new ATOM 0 HD2 LYS A 601 14.462 -50.385 -7.310 1.00 51.43 H new ATOM 0 HD3 LYS A 601 15.901 -50.232 -8.298 1.00 51.43 H new ATOM 0 HE2 LYS A 601 16.755 -50.620 -6.133 1.00 65.31 H new ATOM 0 HE3 LYS A 601 16.912 -48.885 -6.326 1.00 65.31 H new ATOM 0 HZ1 LYS A 601 15.903 -49.425 -4.191 1.00 3.15 H new ATOM 0 HZ2 LYS A 601 14.778 -48.599 -5.158 1.00 3.15 H new ATOM 0 HZ3 LYS A 601 14.650 -50.280 -4.954 1.00 3.15 H new ATOM 1126 N ILE A 602 12.669 -48.211 -11.897 1.00 70.43 N ATOM 1127 CA ILE A 602 11.735 -48.753 -12.876 1.00 55.03 C ATOM 1128 C ILE A 602 12.001 -50.249 -12.846 1.00 4.44 C ATOM 1129 O ILE A 602 13.157 -50.670 -12.832 1.00 31.21 O ATOM 1130 CB ILE A 602 11.959 -48.169 -14.304 1.00 51.04 C ATOM 1131 CG1 ILE A 602 12.136 -46.629 -14.238 1.00 22.52 C ATOM 1132 CG2 ILE A 602 10.768 -48.573 -15.232 1.00 40.23 C ATOM 1133 CD1 ILE A 602 10.951 -45.859 -13.636 1.00 14.40 C ATOM 0 H ILE A 602 13.639 -48.200 -12.212 1.00 70.43 H new ATOM 0 HA ILE A 602 10.703 -48.497 -12.635 1.00 55.03 H new ATOM 0 HB ILE A 602 12.874 -48.585 -14.726 1.00 51.04 H new ATOM 0 HG12 ILE A 602 13.028 -46.407 -13.652 1.00 22.52 H new ATOM 0 HG13 ILE A 602 12.316 -46.257 -15.246 1.00 22.52 H new ATOM 0 HG21 ILE A 602 10.928 -48.163 -16.229 1.00 40.23 H new ATOM 0 HG22 ILE A 602 10.706 -49.660 -15.292 1.00 40.23 H new ATOM 0 HG23 ILE A 602 9.838 -48.179 -14.823 1.00 40.23 H new ATOM 0 HD11 ILE A 602 11.173 -44.792 -13.635 1.00 14.40 H new ATOM 0 HD12 ILE A 602 10.057 -46.043 -14.232 1.00 14.40 H new ATOM 0 HD13 ILE A 602 10.780 -46.195 -12.613 1.00 14.40 H new ATOM 1145 N VAL A 603 10.946 -51.026 -12.705 1.00 21.11 N ATOM 1146 CA VAL A 603 11.069 -52.470 -12.503 1.00 62.34 C ATOM 1147 C VAL A 603 11.104 -53.239 -13.842 1.00 41.13 C ATOM 1148 O VAL A 603 10.482 -52.849 -14.819 1.00 53.12 O ATOM 1149 CB VAL A 603 9.922 -52.940 -11.570 1.00 2.31 C ATOM 1150 CG1 VAL A 603 9.924 -54.461 -11.365 1.00 4.31 C ATOM 1151 CG2 VAL A 603 10.065 -52.246 -10.181 1.00 40.05 C ATOM 0 H VAL A 603 9.984 -50.686 -12.726 1.00 21.11 H new ATOM 0 HA VAL A 603 12.022 -52.691 -12.023 1.00 62.34 H new ATOM 0 HB VAL A 603 8.982 -52.665 -12.048 1.00 2.31 H new ATOM 0 HG11 VAL A 603 9.103 -54.740 -10.705 1.00 4.31 H new ATOM 0 HG12 VAL A 603 9.801 -54.958 -12.327 1.00 4.31 H new ATOM 0 HG13 VAL A 603 10.870 -54.767 -10.917 1.00 4.31 H new ATOM 0 HG21 VAL A 603 9.259 -52.576 -9.525 1.00 40.05 H new ATOM 0 HG22 VAL A 603 11.025 -52.512 -9.739 1.00 40.05 H new ATOM 0 HG23 VAL A 603 10.011 -51.165 -10.307 1.00 40.05 H new ATOM 1295 N GLU A 612 2.606 -46.901 -20.407 1.00 61.01 N ATOM 1296 CA GLU A 612 2.086 -46.398 -19.142 1.00 75.25 C ATOM 1297 C GLU A 612 2.654 -45.017 -18.824 1.00 43.23 C ATOM 1298 O GLU A 612 3.631 -44.562 -19.433 1.00 53.02 O ATOM 1299 CB GLU A 612 2.364 -47.411 -18.021 1.00 64.44 C ATOM 1300 CG GLU A 612 1.487 -47.232 -16.774 1.00 30.25 C ATOM 1301 CD GLU A 612 0.082 -46.704 -17.108 1.00 21.03 C ATOM 1302 OE1 GLU A 612 -0.666 -47.357 -17.871 1.00 74.11 O ATOM 1303 OE2 GLU A 612 -0.240 -45.569 -16.671 1.00 72.33 O ATOM 0 HA GLU A 612 1.006 -46.279 -19.225 1.00 75.25 H new ATOM 0 HB2 GLU A 612 2.217 -48.418 -18.413 1.00 64.44 H new ATOM 0 HB3 GLU A 612 3.411 -47.333 -17.728 1.00 64.44 H new ATOM 0 HG2 GLU A 612 1.398 -48.187 -16.257 1.00 30.25 H new ATOM 0 HG3 GLU A 612 1.976 -46.542 -16.087 1.00 30.25 H new ATOM 1310 N ASN A 613 1.981 -44.332 -17.917 1.00 52.12 N ATOM 1311 CA ASN A 613 2.237 -42.954 -17.571 1.00 1.53 C ATOM 1312 C ASN A 613 2.200 -42.839 -16.054 1.00 2.52 C ATOM 1313 O ASN A 613 1.230 -43.219 -15.409 1.00 22.01 O ATOM 1314 CB ASN A 613 1.117 -42.112 -18.195 1.00 40.45 C ATOM 1315 CG ASN A 613 1.327 -40.634 -18.075 1.00 1.11 C ATOM 1316 OD1 ASN A 613 2.500 -40.223 -17.734 1.00 62.30 O flip ATOM 1317 ND2 ASN A 613 0.419 -39.866 -18.318 1.00 2.44 N flip ATOM 0 H ASN A 613 1.213 -44.740 -17.384 1.00 52.12 H new ATOM 0 HA ASN A 613 3.205 -42.611 -17.935 1.00 1.53 H new ATOM 0 HB2 ASN A 613 1.026 -42.371 -19.250 1.00 40.45 H new ATOM 0 HB3 ASN A 613 0.172 -42.374 -17.720 1.00 40.45 H new ATOM 0 HD21 ASN A 613 -0.497 -40.227 -18.585 1.00 2.44 H new ATOM 0 HD22 ASN A 613 0.572 -38.859 -18.255 1.00 2.44 H new ATOM 1324 N PHE A 614 3.257 -42.298 -15.487 1.00 41.31 N ATOM 1325 CA PHE A 614 3.329 -42.100 -14.048 1.00 1.31 C ATOM 1326 C PHE A 614 4.067 -40.805 -13.839 1.00 75.44 C ATOM 1327 O PHE A 614 4.702 -40.308 -14.750 1.00 71.32 O ATOM 1328 CB PHE A 614 4.017 -43.276 -13.347 1.00 15.34 C ATOM 1329 CG PHE A 614 5.502 -43.111 -13.173 1.00 34.52 C ATOM 1330 CD1 PHE A 614 6.009 -42.448 -12.039 1.00 30.31 C ATOM 1331 CD2 PHE A 614 6.401 -43.639 -14.114 1.00 5.31 C ATOM 1332 CE1 PHE A 614 7.397 -42.308 -11.835 1.00 4.10 C ATOM 1333 CE2 PHE A 614 7.800 -43.514 -13.917 1.00 52.45 C ATOM 1334 CZ PHE A 614 8.290 -42.850 -12.769 1.00 44.14 C ATOM 0 H PHE A 614 4.082 -41.985 -15.999 1.00 41.31 H new ATOM 0 HA PHE A 614 2.333 -42.052 -13.608 1.00 1.31 H new ATOM 0 HB2 PHE A 614 3.562 -43.416 -12.367 1.00 15.34 H new ATOM 0 HB3 PHE A 614 3.829 -44.185 -13.919 1.00 15.34 H new ATOM 0 HD1 PHE A 614 5.322 -42.039 -11.312 1.00 30.31 H new ATOM 0 HD2 PHE A 614 6.025 -44.143 -14.992 1.00 5.31 H new ATOM 0 HE1 PHE A 614 7.769 -41.787 -10.965 1.00 4.10 H new ATOM 0 HE2 PHE A 614 8.488 -43.924 -14.641 1.00 52.45 H new ATOM 0 HZ PHE A 614 9.355 -42.760 -12.612 1.00 44.14 H new ATOM 1344 N PHE A 615 3.908 -40.201 -12.685 1.00 43.34 N ATOM 1345 CA PHE A 615 4.463 -38.879 -12.442 1.00 22.14 C ATOM 1346 C PHE A 615 4.929 -38.825 -11.006 1.00 43.11 C ATOM 1347 O PHE A 615 4.658 -39.729 -10.258 1.00 42.25 O ATOM 1348 CB PHE A 615 3.401 -37.799 -12.693 1.00 11.04 C ATOM 1349 CG PHE A 615 2.041 -38.337 -13.089 1.00 63.45 C ATOM 1350 CD1 PHE A 615 1.824 -38.864 -14.374 1.00 73.34 C ATOM 1351 CD2 PHE A 615 0.968 -38.304 -12.183 1.00 64.32 C ATOM 1352 CE1 PHE A 615 0.575 -39.377 -14.753 1.00 23.12 C ATOM 1353 CE2 PHE A 615 -0.303 -38.811 -12.551 1.00 1.45 C ATOM 1354 CZ PHE A 615 -0.497 -39.355 -13.840 1.00 55.41 C ATOM 0 H PHE A 615 3.400 -40.599 -11.896 1.00 43.34 H new ATOM 0 HA PHE A 615 5.297 -38.694 -13.118 1.00 22.14 H new ATOM 0 HB2 PHE A 615 3.291 -37.198 -11.790 1.00 11.04 H new ATOM 0 HB3 PHE A 615 3.757 -37.132 -13.478 1.00 11.04 H new ATOM 0 HD1 PHE A 615 2.637 -38.874 -15.085 1.00 73.34 H new ATOM 0 HD2 PHE A 615 1.113 -37.888 -11.197 1.00 64.32 H new ATOM 0 HE1 PHE A 615 0.436 -39.788 -15.742 1.00 23.12 H new ATOM 0 HE2 PHE A 615 -1.122 -38.782 -11.847 1.00 1.45 H new ATOM 0 HZ PHE A 615 -1.461 -39.751 -14.123 1.00 55.41 H new ATOM 1364 N ILE A 616 5.625 -37.776 -10.598 1.00 14.31 N ATOM 1365 CA ILE A 616 6.027 -37.646 -9.198 1.00 61.13 C ATOM 1366 C ILE A 616 5.618 -36.266 -8.725 1.00 61.21 C ATOM 1367 O ILE A 616 6.085 -35.276 -9.268 1.00 31.42 O ATOM 1368 CB ILE A 616 7.547 -37.773 -9.022 1.00 25.51 C ATOM 1369 CG1 ILE A 616 8.100 -39.005 -9.764 1.00 12.35 C ATOM 1370 CG2 ILE A 616 7.903 -37.878 -7.525 1.00 15.11 C ATOM 1371 CD1 ILE A 616 9.549 -38.889 -10.011 1.00 42.41 C ATOM 0 H ILE A 616 5.922 -37.010 -11.203 1.00 14.31 H new ATOM 0 HA ILE A 616 5.548 -38.441 -8.627 1.00 61.13 H new ATOM 0 HB ILE A 616 8.003 -36.879 -9.448 1.00 25.51 H new ATOM 0 HG12 ILE A 616 7.902 -39.902 -9.178 1.00 12.35 H new ATOM 0 HG13 ILE A 616 7.577 -39.123 -10.713 1.00 12.35 H new ATOM 0 HG21 ILE A 616 8.984 -37.968 -7.413 1.00 15.11 H new ATOM 0 HG22 ILE A 616 7.557 -36.984 -7.005 1.00 15.11 H new ATOM 0 HG23 ILE A 616 7.420 -38.756 -7.097 1.00 15.11 H new ATOM 0 HD11 ILE A 616 9.901 -39.777 -10.536 1.00 42.41 H new ATOM 0 HD12 ILE A 616 9.745 -38.006 -10.620 1.00 42.41 H new ATOM 0 HD13 ILE A 616 10.074 -38.798 -9.060 1.00 42.41 H new ATOM 1383 N ALA A 617 4.747 -36.189 -7.735 1.00 43.33 N ATOM 1384 CA ALA A 617 4.279 -34.898 -7.231 1.00 12.41 C ATOM 1385 C ALA A 617 4.913 -34.682 -5.852 1.00 11.33 C ATOM 1386 O ALA A 617 5.049 -35.639 -5.080 1.00 22.35 O ATOM 1387 CB ALA A 617 2.753 -34.892 -7.121 1.00 24.12 C ATOM 0 H ALA A 617 4.347 -36.999 -7.261 1.00 43.33 H new ATOM 0 HA ALA A 617 4.566 -34.097 -7.912 1.00 12.41 H new ATOM 0 HB1 ALA A 617 2.419 -33.925 -6.745 1.00 24.12 H new ATOM 0 HB2 ALA A 617 2.317 -35.069 -8.104 1.00 24.12 H new ATOM 0 HB3 ALA A 617 2.435 -35.678 -6.436 1.00 24.12 H new ATOM 1393 N LEU A 618 5.270 -33.449 -5.515 1.00 22.51 N ATOM 1394 CA LEU A 618 5.745 -33.156 -4.172 1.00 32.14 C ATOM 1395 C LEU A 618 4.545 -33.058 -3.239 1.00 42.02 C ATOM 1396 O LEU A 618 3.458 -32.686 -3.663 1.00 23.05 O ATOM 1397 CB LEU A 618 6.529 -31.837 -4.132 1.00 31.14 C ATOM 1398 CG LEU A 618 7.834 -31.731 -4.948 1.00 52.24 C ATOM 1399 CD1 LEU A 618 8.579 -33.043 -5.037 1.00 51.11 C ATOM 1400 CD2 LEU A 618 7.573 -31.135 -6.303 1.00 22.34 C ATOM 0 H LEU A 618 5.240 -32.647 -6.144 1.00 22.51 H new ATOM 0 HA LEU A 618 6.414 -33.956 -3.856 1.00 32.14 H new ATOM 0 HB2 LEU A 618 5.862 -31.044 -4.470 1.00 31.14 H new ATOM 0 HB3 LEU A 618 6.771 -31.627 -3.090 1.00 31.14 H new ATOM 0 HG LEU A 618 8.494 -31.053 -4.407 1.00 52.24 H new ATOM 0 HD11 LEU A 618 9.488 -32.906 -5.623 1.00 51.11 H new ATOM 0 HD12 LEU A 618 8.841 -33.382 -4.035 1.00 51.11 H new ATOM 0 HD13 LEU A 618 7.946 -33.789 -5.518 1.00 51.11 H new ATOM 0 HD21 LEU A 618 8.509 -31.071 -6.859 1.00 22.34 H new ATOM 0 HD22 LEU A 618 6.870 -31.765 -6.848 1.00 22.34 H new ATOM 0 HD23 LEU A 618 7.151 -30.137 -6.186 1.00 22.34 H new ATOM 1412 N GLY A 619 4.765 -33.371 -1.969 1.00 64.02 N ATOM 1413 CA GLY A 619 3.723 -33.252 -0.958 1.00 11.14 C ATOM 1414 C GLY A 619 3.421 -31.795 -0.670 1.00 23.14 C ATOM 1415 O GLY A 619 2.511 -31.197 -1.228 1.00 24.31 O ATOM 0 H GLY A 619 5.659 -33.710 -1.614 1.00 64.02 H new ATOM 0 HA2 GLY A 619 2.819 -33.756 -1.300 1.00 11.14 H new ATOM 0 HA3 GLY A 619 4.039 -33.751 -0.042 1.00 11.14 H new ATOM 1419 N GLU A 620 4.244 -31.203 0.179 1.00 50.40 N ATOM 1420 CA GLU A 620 4.169 -29.781 0.456 1.00 23.14 C ATOM 1421 C GLU A 620 5.553 -29.385 0.979 1.00 12.33 C ATOM 1422 O GLU A 620 6.122 -30.060 1.838 1.00 72.12 O ATOM 1423 CB GLU A 620 3.051 -29.432 1.468 1.00 35.21 C ATOM 1424 CG GLU A 620 3.391 -29.657 2.940 1.00 63.50 C ATOM 1425 CD GLU A 620 2.356 -29.092 3.891 1.00 14.04 C ATOM 1426 OE1 GLU A 620 2.176 -27.849 3.894 1.00 4.11 O ATOM 1427 OE2 GLU A 620 1.822 -29.855 4.719 1.00 44.00 O ATOM 0 H GLU A 620 4.978 -31.692 0.692 1.00 50.40 H new ATOM 0 HA GLU A 620 3.908 -29.225 -0.445 1.00 23.14 H new ATOM 0 HB2 GLU A 620 2.780 -28.385 1.334 1.00 35.21 H new ATOM 0 HB3 GLU A 620 2.169 -30.024 1.224 1.00 35.21 H new ATOM 0 HG2 GLU A 620 3.495 -30.727 3.122 1.00 63.50 H new ATOM 0 HG3 GLU A 620 4.358 -29.202 3.155 1.00 63.50 H new ATOM 1434 N PRO A 621 6.143 -28.325 0.432 1.00 24.23 N ATOM 1435 CA PRO A 621 7.434 -27.914 0.980 1.00 41.11 C ATOM 1436 C PRO A 621 7.226 -27.301 2.369 1.00 21.21 C ATOM 1437 O PRO A 621 6.217 -26.637 2.619 1.00 52.31 O ATOM 1438 CB PRO A 621 7.932 -26.911 -0.063 1.00 62.33 C ATOM 1439 CG PRO A 621 6.682 -26.339 -0.654 1.00 51.00 C ATOM 1440 CD PRO A 621 5.698 -27.455 -0.663 1.00 51.02 C ATOM 0 HA PRO A 621 8.154 -28.717 1.136 1.00 41.11 H new ATOM 0 HB2 PRO A 621 8.547 -26.135 0.393 1.00 62.33 H new ATOM 0 HB3 PRO A 621 8.544 -27.398 -0.822 1.00 62.33 H new ATOM 0 HG2 PRO A 621 6.317 -25.499 -0.063 1.00 51.00 H new ATOM 0 HG3 PRO A 621 6.860 -25.965 -1.662 1.00 51.00 H new ATOM 0 HD2 PRO A 621 4.683 -27.094 -0.499 1.00 51.02 H new ATOM 0 HD3 PRO A 621 5.699 -27.981 -1.617 1.00 51.02 H new ATOM 1448 N LYS A 622 8.145 -27.563 3.291 1.00 34.31 N ATOM 1449 CA LYS A 622 8.021 -27.098 4.682 1.00 74.52 C ATOM 1450 C LYS A 622 9.351 -26.519 5.122 1.00 72.45 C ATOM 1451 O LYS A 622 10.380 -27.095 4.863 1.00 31.40 O ATOM 1452 CB LYS A 622 7.661 -28.278 5.594 1.00 40.20 C ATOM 1453 CG LYS A 622 6.305 -28.918 5.273 1.00 65.32 C ATOM 1454 CD LYS A 622 6.075 -30.231 6.015 1.00 73.14 C ATOM 1455 CE LYS A 622 6.927 -31.356 5.419 1.00 52.42 C ATOM 1456 NZ LYS A 622 6.620 -32.690 6.025 1.00 2.54 N ATOM 0 H LYS A 622 8.993 -28.099 3.106 1.00 34.31 H new ATOM 0 HA LYS A 622 7.239 -26.342 4.747 1.00 74.52 H new ATOM 0 HB2 LYS A 622 8.439 -29.038 5.514 1.00 40.20 H new ATOM 0 HB3 LYS A 622 7.655 -27.936 6.629 1.00 40.20 H new ATOM 0 HG2 LYS A 622 5.509 -28.218 5.529 1.00 65.32 H new ATOM 0 HG3 LYS A 622 6.239 -29.097 4.200 1.00 65.32 H new ATOM 0 HD2 LYS A 622 6.320 -30.104 7.070 1.00 73.14 H new ATOM 0 HD3 LYS A 622 5.021 -30.502 5.963 1.00 73.14 H new ATOM 0 HE2 LYS A 622 6.760 -31.402 4.343 1.00 52.42 H new ATOM 0 HE3 LYS A 622 7.982 -31.127 5.569 1.00 52.42 H new ATOM 0 HZ1 LYS A 622 7.321 -33.387 5.703 1.00 2.54 H new ATOM 0 HZ2 LYS A 622 6.656 -32.617 7.062 1.00 2.54 H new ATOM 0 HZ3 LYS A 622 5.669 -32.994 5.732 1.00 2.54 H new ATOM 1470 N TRP A 623 9.334 -25.405 5.823 1.00 61.45 N ATOM 1471 CA TRP A 623 10.573 -24.740 6.230 1.00 12.31 C ATOM 1472 C TRP A 623 11.058 -25.395 7.481 1.00 60.13 C ATOM 1473 O TRP A 623 10.450 -25.228 8.537 1.00 70.14 O ATOM 1474 CB TRP A 623 10.248 -23.296 6.558 1.00 73.40 C ATOM 1475 CG TRP A 623 11.338 -22.354 6.349 1.00 51.45 C ATOM 1476 CD1 TRP A 623 12.580 -22.565 5.838 1.00 22.45 C ATOM 1477 CD2 TRP A 623 11.287 -20.980 6.683 1.00 0.23 C ATOM 1478 NE1 TRP A 623 13.289 -21.399 5.778 1.00 22.24 N ATOM 1479 CE2 TRP A 623 12.516 -20.391 6.277 1.00 71.23 C ATOM 1480 CE3 TRP A 623 10.337 -20.192 7.335 1.00 0.13 C ATOM 1481 CZ2 TRP A 623 12.786 -19.021 6.457 1.00 70.25 C ATOM 1482 CZ3 TRP A 623 10.598 -18.868 7.565 1.00 52.11 C ATOM 1483 CH2 TRP A 623 11.816 -18.252 7.089 1.00 33.05 C ATOM 0 H TRP A 623 8.482 -24.934 6.127 1.00 61.45 H new ATOM 0 HA TRP A 623 11.322 -24.801 5.440 1.00 12.31 H new ATOM 0 HB2 TRP A 623 9.398 -22.984 5.951 1.00 73.40 H new ATOM 0 HB3 TRP A 623 9.934 -23.238 7.600 1.00 73.40 H new ATOM 0 HD1 TRP A 623 12.956 -23.527 5.522 1.00 22.45 H new ATOM 0 HE1 TRP A 623 14.239 -21.298 5.420 1.00 22.24 H new ATOM 0 HE3 TRP A 623 9.401 -20.625 7.656 1.00 0.13 H new ATOM 0 HZ2 TRP A 623 13.713 -18.584 6.116 1.00 70.25 H new ATOM 0 HZ3 TRP A 623 9.881 -18.273 8.112 1.00 52.11 H new ATOM 0 HH2 TRP A 623 11.973 -17.192 7.225 1.00 33.05 H new ATOM 1494 N MET A 624 12.168 -26.118 7.413 1.00 53.34 N ATOM 1495 CA MET A 624 12.775 -26.433 8.663 1.00 73.34 C ATOM 1496 C MET A 624 14.215 -25.994 8.768 1.00 15.15 C ATOM 1497 O MET A 624 15.159 -26.747 8.979 1.00 50.25 O ATOM 1498 CB MET A 624 12.975 -27.896 8.526 1.00 22.41 C ATOM 1499 CG MET A 624 11.785 -28.767 8.157 1.00 63.44 C ATOM 1500 SD MET A 624 10.627 -29.040 9.478 1.00 23.24 S ATOM 1501 CE MET A 624 9.822 -30.469 8.805 1.00 32.24 C ATOM 0 H MET A 624 12.625 -26.466 6.570 1.00 53.34 H new ATOM 0 HA MET A 624 12.180 -26.007 9.471 1.00 73.34 H new ATOM 0 HB2 MET A 624 13.746 -28.054 7.772 1.00 22.41 H new ATOM 0 HB3 MET A 624 13.373 -28.265 9.471 1.00 22.41 H new ATOM 0 HG2 MET A 624 11.260 -28.306 7.321 1.00 63.44 H new ATOM 0 HG3 MET A 624 12.153 -29.732 7.809 1.00 63.44 H new ATOM 0 HE1 MET A 624 9.046 -30.807 9.492 1.00 32.24 H new ATOM 0 HE2 MET A 624 9.372 -30.215 7.845 1.00 32.24 H new ATOM 0 HE3 MET A 624 10.553 -31.265 8.663 1.00 32.24 H new ATOM 1511 N GLU A 625 14.243 -24.745 9.071 1.00 23.20 N ATOM 1512 CA GLU A 625 15.205 -24.057 9.870 1.00 2.32 C ATOM 1513 C GLU A 625 14.404 -22.905 10.398 1.00 2.33 C ATOM 1514 O GLU A 625 14.749 -21.923 9.918 1.00 52.44 O ATOM 1515 CB GLU A 625 16.210 -23.550 8.820 1.00 14.23 C ATOM 1516 CG GLU A 625 17.332 -22.587 9.240 1.00 2.11 C ATOM 1517 CD GLU A 625 18.717 -23.100 8.900 1.00 40.15 C ATOM 1518 OE1 GLU A 625 18.985 -23.341 7.702 1.00 23.41 O ATOM 1519 OE2 GLU A 625 19.548 -23.232 9.818 1.00 63.23 O ATOM 0 H GLU A 625 13.519 -24.111 8.732 1.00 23.20 H new ATOM 0 HA GLU A 625 15.703 -24.609 10.667 1.00 2.32 H new ATOM 0 HB2 GLU A 625 16.682 -24.425 8.373 1.00 14.23 H new ATOM 0 HB3 GLU A 625 15.638 -23.059 8.033 1.00 14.23 H new ATOM 0 HG2 GLU A 625 17.178 -21.625 8.752 1.00 2.11 H new ATOM 0 HG3 GLU A 625 17.270 -22.413 10.314 1.00 2.11 H new ATOM 1526 N ARG A 626 13.718 -22.811 11.531 1.00 43.30 N ATOM 1527 CA ARG A 626 13.056 -21.491 11.905 1.00 50.30 C ATOM 1528 C ARG A 626 12.162 -21.576 13.121 1.00 24.52 C ATOM 1529 O ARG A 626 12.283 -20.760 14.024 1.00 74.54 O ATOM 1530 CB ARG A 626 12.162 -20.744 10.784 1.00 4.42 C ATOM 1531 CG ARG A 626 12.871 -20.070 9.623 1.00 62.21 C ATOM 1532 CD ARG A 626 13.987 -19.066 10.030 1.00 14.22 C ATOM 1533 NE ARG A 626 13.517 -18.057 11.005 1.00 34.41 N ATOM 1534 CZ ARG A 626 13.975 -17.910 12.243 1.00 11.13 C ATOM 1535 NH1 ARG A 626 14.941 -18.647 12.736 1.00 21.03 N ATOM 1536 NH2 ARG A 626 13.454 -16.994 12.998 1.00 41.14 N ATOM 0 H ARG A 626 13.588 -23.570 12.200 1.00 43.30 H new ATOM 0 HA ARG A 626 13.959 -20.905 12.076 1.00 50.30 H new ATOM 0 HB2 ARG A 626 11.470 -21.477 10.369 1.00 4.42 H new ATOM 0 HB3 ARG A 626 11.561 -19.988 11.289 1.00 4.42 H new ATOM 0 HG2 ARG A 626 13.309 -20.840 8.988 1.00 62.21 H new ATOM 0 HG3 ARG A 626 12.131 -19.543 9.021 1.00 62.21 H new ATOM 0 HD2 ARG A 626 14.826 -19.615 10.457 1.00 14.22 H new ATOM 0 HD3 ARG A 626 14.358 -18.560 9.139 1.00 14.22 H new ATOM 0 HE ARG A 626 12.780 -17.421 10.701 1.00 34.41 H new ATOM 0 HH11 ARG A 626 15.374 -19.370 12.162 1.00 21.03 H new ATOM 0 HH12 ARG A 626 15.259 -18.497 13.693 1.00 21.03 H new ATOM 0 HH21 ARG A 626 12.706 -16.401 12.638 1.00 41.14 H new ATOM 0 HH22 ARG A 626 13.792 -16.866 13.952 1.00 41.14 H new ATOM 1916 N GLY A 650 6.959 -17.989 7.004 1.00 12.23 N ATOM 1917 CA GLY A 650 7.780 -18.261 5.834 1.00 63.03 C ATOM 1918 C GLY A 650 7.393 -19.442 4.973 1.00 61.32 C ATOM 1919 O GLY A 650 8.225 -19.937 4.222 1.00 25.33 O ATOM 0 HA2 GLY A 650 7.777 -17.370 5.206 1.00 63.03 H new ATOM 0 HA3 GLY A 650 8.806 -18.411 6.170 1.00 63.03 H new ATOM 1923 N LYS A 651 6.177 -19.946 5.116 1.00 14.02 N ATOM 1924 CA LYS A 651 5.789 -21.214 4.501 1.00 13.24 C ATOM 1925 C LYS A 651 5.955 -21.218 2.975 1.00 63.24 C ATOM 1926 O LYS A 651 5.305 -20.451 2.271 1.00 42.05 O ATOM 1927 CB LYS A 651 4.317 -21.498 4.829 1.00 44.33 C ATOM 1928 CG LYS A 651 4.096 -22.710 5.719 1.00 15.23 C ATOM 1929 CD LYS A 651 3.342 -23.840 4.980 1.00 12.32 C ATOM 1930 CE LYS A 651 4.234 -24.540 3.954 1.00 72.00 C ATOM 1931 NZ LYS A 651 3.499 -25.527 3.097 1.00 24.43 N ATOM 0 H LYS A 651 5.436 -19.497 5.654 1.00 14.02 H new ATOM 0 HA LYS A 651 6.449 -21.981 4.907 1.00 13.24 H new ATOM 0 HB2 LYS A 651 3.890 -20.621 5.316 1.00 44.33 H new ATOM 0 HB3 LYS A 651 3.771 -21.642 3.897 1.00 44.33 H new ATOM 0 HG2 LYS A 651 5.058 -23.084 6.068 1.00 15.23 H new ATOM 0 HG3 LYS A 651 3.530 -22.413 6.602 1.00 15.23 H new ATOM 0 HD2 LYS A 651 2.979 -24.569 5.704 1.00 12.32 H new ATOM 0 HD3 LYS A 651 2.467 -23.426 4.479 1.00 12.32 H new ATOM 0 HE2 LYS A 651 4.697 -23.789 3.314 1.00 72.00 H new ATOM 0 HE3 LYS A 651 5.041 -25.054 4.476 1.00 72.00 H new ATOM 0 HZ1 LYS A 651 4.177 -26.037 2.496 1.00 24.43 H new ATOM 0 HZ2 LYS A 651 2.995 -26.205 3.703 1.00 24.43 H new ATOM 0 HZ3 LYS A 651 2.815 -25.024 2.497 1.00 24.43 H new ATOM 1945 N PRO A 652 6.831 -22.102 2.450 1.00 21.22 N ATOM 1946 CA PRO A 652 7.013 -22.166 0.997 1.00 12.35 C ATOM 1947 C PRO A 652 5.836 -22.791 0.278 1.00 71.33 C ATOM 1948 O PRO A 652 4.990 -23.460 0.884 1.00 13.01 O ATOM 1949 CB PRO A 652 8.243 -23.055 0.842 1.00 25.42 C ATOM 1950 CG PRO A 652 8.235 -23.898 2.029 1.00 61.34 C ATOM 1951 CD PRO A 652 7.705 -23.072 3.138 1.00 1.31 C ATOM 0 HA PRO A 652 7.113 -21.171 0.563 1.00 12.35 H new ATOM 0 HB2 PRO A 652 8.190 -23.651 -0.069 1.00 25.42 H new ATOM 0 HB3 PRO A 652 9.156 -22.463 0.782 1.00 25.42 H new ATOM 0 HG2 PRO A 652 7.613 -24.780 1.873 1.00 61.34 H new ATOM 0 HG3 PRO A 652 9.240 -24.253 2.258 1.00 61.34 H new ATOM 0 HD2 PRO A 652 7.150 -23.673 3.858 1.00 1.31 H new ATOM 0 HD3 PRO A 652 8.505 -22.575 3.687 1.00 1.31 H new ATOM 1959 N VAL A 653 5.817 -22.601 -1.029 1.00 43.53 N ATOM 1960 CA VAL A 653 4.771 -23.152 -1.894 1.00 4.35 C ATOM 1961 C VAL A 653 5.394 -23.791 -3.133 1.00 64.43 C ATOM 1962 O VAL A 653 6.566 -23.566 -3.441 1.00 40.23 O ATOM 1963 CB VAL A 653 3.747 -22.050 -2.335 1.00 15.14 C ATOM 1964 CG1 VAL A 653 3.008 -21.480 -1.111 1.00 3.23 C ATOM 1965 CG2 VAL A 653 4.437 -20.913 -3.099 1.00 2.42 C ATOM 0 H VAL A 653 6.524 -22.061 -1.528 1.00 43.53 H new ATOM 0 HA VAL A 653 4.235 -23.907 -1.320 1.00 4.35 H new ATOM 0 HB VAL A 653 3.027 -22.522 -3.003 1.00 15.14 H new ATOM 0 HG11 VAL A 653 2.301 -20.716 -1.436 1.00 3.23 H new ATOM 0 HG12 VAL A 653 2.469 -22.281 -0.605 1.00 3.23 H new ATOM 0 HG13 VAL A 653 3.729 -21.038 -0.424 1.00 3.23 H new ATOM 0 HG21 VAL A 653 3.696 -20.168 -3.389 1.00 2.42 H new ATOM 0 HG22 VAL A 653 5.188 -20.449 -2.460 1.00 2.42 H new ATOM 0 HG23 VAL A 653 4.917 -21.314 -3.992 1.00 2.42 H new ATOM 1975 N LEU A 654 4.616 -24.606 -3.829 1.00 40.22 N ATOM 1976 CA LEU A 654 5.046 -25.246 -5.058 1.00 62.24 C ATOM 1977 C LEU A 654 5.056 -24.276 -6.235 1.00 14.13 C ATOM 1978 O LEU A 654 4.439 -23.216 -6.185 1.00 63.11 O ATOM 1979 CB LEU A 654 4.074 -26.381 -5.348 1.00 14.13 C ATOM 1980 CG LEU A 654 4.011 -27.414 -4.215 1.00 53.23 C ATOM 1981 CD1 LEU A 654 2.871 -28.347 -4.431 1.00 52.12 C ATOM 1982 CD2 LEU A 654 5.326 -28.150 -4.117 1.00 14.23 C ATOM 0 H LEU A 654 3.663 -24.842 -3.553 1.00 40.22 H new ATOM 0 HA LEU A 654 6.066 -25.610 -4.932 1.00 62.24 H new ATOM 0 HB2 LEU A 654 3.079 -25.968 -5.513 1.00 14.13 H new ATOM 0 HB3 LEU A 654 4.369 -26.879 -6.272 1.00 14.13 H new ATOM 0 HG LEU A 654 3.842 -26.903 -3.267 1.00 53.23 H new ATOM 0 HD11 LEU A 654 2.838 -29.075 -3.620 1.00 52.12 H new ATOM 0 HD12 LEU A 654 1.938 -27.783 -4.451 1.00 52.12 H new ATOM 0 HD13 LEU A 654 3.001 -28.867 -5.380 1.00 52.12 H new ATOM 0 HD21 LEU A 654 5.274 -28.882 -3.311 1.00 14.23 H new ATOM 0 HD22 LEU A 654 5.528 -28.661 -5.058 1.00 14.23 H new ATOM 0 HD23 LEU A 654 6.126 -27.439 -3.911 1.00 14.23 H new ATOM 1994 N GLY A 655 5.772 -24.659 -7.281 1.00 30.43 N ATOM 1995 CA GLY A 655 5.905 -23.832 -8.472 1.00 43.52 C ATOM 1996 C GLY A 655 4.955 -24.139 -9.601 1.00 14.02 C ATOM 1997 O GLY A 655 3.867 -24.666 -9.412 1.00 53.13 O ATOM 0 H GLY A 655 6.274 -25.545 -7.329 1.00 30.43 H new ATOM 0 HA2 GLY A 655 5.769 -22.790 -8.183 1.00 43.52 H new ATOM 0 HA3 GLY A 655 6.924 -23.929 -8.845 1.00 43.52 H new ATOM 2001 N GLU A 656 5.399 -23.783 -10.792 1.00 43.44 N ATOM 2002 CA GLU A 656 4.622 -23.930 -12.014 1.00 42.34 C ATOM 2003 C GLU A 656 4.659 -25.367 -12.532 1.00 73.44 C ATOM 2004 O GLU A 656 3.712 -25.832 -13.154 1.00 70.45 O ATOM 2005 CB GLU A 656 5.188 -22.993 -13.092 1.00 31.31 C ATOM 2006 CG GLU A 656 5.322 -21.522 -12.651 1.00 43.54 C ATOM 2007 CD GLU A 656 6.559 -21.251 -11.771 1.00 33.40 C ATOM 2008 OE1 GLU A 656 7.456 -22.130 -11.685 1.00 74.14 O ATOM 2009 OE2 GLU A 656 6.595 -20.196 -11.110 1.00 45.14 O ATOM 0 H GLU A 656 6.323 -23.377 -10.943 1.00 43.44 H new ATOM 0 HA GLU A 656 3.587 -23.673 -11.789 1.00 42.34 H new ATOM 0 HB2 GLU A 656 6.169 -23.359 -13.396 1.00 31.31 H new ATOM 0 HB3 GLU A 656 4.544 -23.039 -13.970 1.00 31.31 H new ATOM 0 HG2 GLU A 656 5.371 -20.889 -13.537 1.00 43.54 H new ATOM 0 HG3 GLU A 656 4.426 -21.233 -12.102 1.00 43.54 H new ATOM 2016 N HIS A 657 5.756 -26.074 -12.264 1.00 71.12 N ATOM 2017 CA HIS A 657 5.899 -27.479 -12.682 1.00 73.00 C ATOM 2018 C HIS A 657 6.389 -28.379 -11.544 1.00 53.40 C ATOM 2019 O HIS A 657 7.451 -28.959 -11.631 1.00 1.11 O ATOM 2020 CB HIS A 657 6.896 -27.584 -13.856 1.00 61.43 C ATOM 2021 CG HIS A 657 6.693 -26.552 -14.920 1.00 71.02 C ATOM 2022 ND1 HIS A 657 5.982 -26.775 -16.104 1.00 44.53 N ATOM 2023 CD2 HIS A 657 7.113 -25.262 -15.010 1.00 64.22 C ATOM 2024 CE1 HIS A 657 6.003 -25.666 -16.830 1.00 74.14 C ATOM 2025 NE2 HIS A 657 6.675 -24.745 -16.190 1.00 42.01 N ATOM 0 H HIS A 657 6.561 -25.703 -11.760 1.00 71.12 H new ATOM 0 HA HIS A 657 4.909 -27.819 -12.986 1.00 73.00 H new ATOM 0 HB2 HIS A 657 7.910 -27.495 -13.467 1.00 61.43 H new ATOM 0 HB3 HIS A 657 6.812 -28.574 -14.304 1.00 61.43 H new ATOM 0 HD1 HIS A 657 5.523 -27.647 -16.366 1.00 44.53 H new ATOM 0 HD2 HIS A 657 7.697 -24.736 -14.269 1.00 64.22 H new ATOM 0 HE1 HIS A 657 5.538 -25.543 -17.797 1.00 74.14 H new ATOM 2033 N PRO A 658 5.626 -28.502 -10.450 1.00 45.10 N ATOM 2034 CA PRO A 658 6.041 -29.353 -9.325 1.00 23.01 C ATOM 2035 C PRO A 658 5.778 -30.851 -9.547 1.00 12.51 C ATOM 2036 O PRO A 658 5.454 -31.592 -8.618 1.00 10.40 O ATOM 2037 CB PRO A 658 5.196 -28.804 -8.188 1.00 20.34 C ATOM 2038 CG PRO A 658 3.945 -28.393 -8.851 1.00 51.41 C ATOM 2039 CD PRO A 658 4.343 -27.839 -10.166 1.00 32.15 C ATOM 0 HA PRO A 658 7.117 -29.316 -9.153 1.00 23.01 H new ATOM 0 HB2 PRO A 658 5.015 -29.559 -7.423 1.00 20.34 H new ATOM 0 HB3 PRO A 658 5.684 -27.963 -7.696 1.00 20.34 H new ATOM 0 HG2 PRO A 658 3.271 -29.241 -8.973 1.00 51.41 H new ATOM 0 HG3 PRO A 658 3.416 -27.648 -8.258 1.00 51.41 H new ATOM 0 HD2 PRO A 658 3.601 -28.057 -10.934 1.00 32.15 H new ATOM 0 HD3 PRO A 658 4.452 -26.755 -10.127 1.00 32.15 H new ATOM 2047 N LYS A 659 5.870 -31.269 -10.796 1.00 74.01 N ATOM 2048 CA LYS A 659 5.641 -32.652 -11.196 1.00 34.43 C ATOM 2049 C LYS A 659 6.252 -32.831 -12.550 1.00 13.21 C ATOM 2050 O LYS A 659 6.269 -31.898 -13.341 1.00 42.22 O ATOM 2051 CB LYS A 659 4.145 -32.927 -11.264 1.00 41.52 C ATOM 2052 CG LYS A 659 3.786 -34.390 -11.519 1.00 62.42 C ATOM 2053 CD LYS A 659 2.418 -34.717 -10.955 1.00 22.21 C ATOM 2054 CE LYS A 659 1.351 -34.066 -11.739 1.00 22.21 C ATOM 2055 NZ LYS A 659 1.211 -34.620 -13.167 1.00 13.53 N ATOM 0 H LYS A 659 6.109 -30.653 -11.573 1.00 74.01 H new ATOM 0 HA LYS A 659 6.085 -33.342 -10.478 1.00 34.43 H new ATOM 0 HB2 LYS A 659 3.686 -32.610 -10.327 1.00 41.52 H new ATOM 0 HB3 LYS A 659 3.710 -32.315 -12.055 1.00 41.52 H new ATOM 0 HG2 LYS A 659 3.800 -34.591 -12.590 1.00 62.42 H new ATOM 0 HG3 LYS A 659 4.536 -35.037 -11.064 1.00 62.42 H new ATOM 0 HD2 LYS A 659 2.269 -35.797 -10.958 1.00 22.21 H new ATOM 0 HD3 LYS A 659 2.362 -34.390 -9.917 1.00 22.21 H new ATOM 0 HE2 LYS A 659 0.402 -34.187 -11.217 1.00 22.21 H new ATOM 0 HE3 LYS A 659 1.551 -32.996 -11.791 1.00 22.21 H new ATOM 0 HZ1 LYS A 659 0.311 -34.299 -13.577 1.00 13.53 H new ATOM 0 HZ2 LYS A 659 2.000 -34.277 -13.751 1.00 13.53 H new ATOM 0 HZ3 LYS A 659 1.227 -35.660 -13.139 1.00 13.53 H new ATOM 2069 N LEU A 660 6.722 -34.035 -12.807 1.00 4.41 N ATOM 2070 CA LEU A 660 7.287 -34.395 -14.089 1.00 34.14 C ATOM 2071 C LEU A 660 6.492 -35.614 -14.521 1.00 21.10 C ATOM 2072 O LEU A 660 6.384 -36.567 -13.752 1.00 23.03 O ATOM 2073 CB LEU A 660 8.774 -34.748 -13.929 1.00 70.00 C ATOM 2074 CG LEU A 660 9.790 -34.392 -15.031 1.00 72.03 C ATOM 2075 CD1 LEU A 660 10.986 -35.376 -15.040 1.00 34.04 C ATOM 2076 CD2 LEU A 660 9.140 -34.322 -16.377 1.00 51.12 C ATOM 0 H LEU A 660 6.722 -34.795 -12.127 1.00 4.41 H new ATOM 0 HA LEU A 660 7.232 -33.586 -14.817 1.00 34.14 H new ATOM 0 HB2 LEU A 660 9.119 -34.275 -13.010 1.00 70.00 H new ATOM 0 HB3 LEU A 660 8.833 -35.825 -13.774 1.00 70.00 H new ATOM 0 HG LEU A 660 10.179 -33.400 -14.801 1.00 72.03 H new ATOM 0 HD11 LEU A 660 11.683 -35.095 -15.830 1.00 34.04 H new ATOM 0 HD12 LEU A 660 11.495 -35.339 -14.077 1.00 34.04 H new ATOM 0 HD13 LEU A 660 10.623 -36.388 -15.220 1.00 34.04 H new ATOM 0 HD21 LEU A 660 9.887 -34.069 -17.129 1.00 51.12 H new ATOM 0 HD22 LEU A 660 8.696 -35.288 -16.617 1.00 51.12 H new ATOM 0 HD23 LEU A 660 8.362 -33.558 -16.366 1.00 51.12 H new ATOM 2088 N GLU A 661 5.882 -35.556 -15.689 1.00 74.20 N ATOM 2089 CA GLU A 661 5.062 -36.649 -16.199 1.00 31.32 C ATOM 2090 C GLU A 661 5.917 -37.569 -17.043 1.00 45.54 C ATOM 2091 O GLU A 661 6.533 -37.124 -17.987 1.00 4.31 O ATOM 2092 CB GLU A 661 3.956 -36.071 -17.056 1.00 20.05 C ATOM 2093 CG GLU A 661 2.844 -37.001 -17.269 1.00 22.11 C ATOM 2094 CD GLU A 661 1.512 -36.348 -16.878 1.00 71.25 C ATOM 2095 OE1 GLU A 661 1.373 -35.972 -15.678 1.00 55.40 O ATOM 2096 OE2 GLU A 661 0.657 -36.125 -17.754 1.00 21.31 O ATOM 0 H GLU A 661 5.938 -34.752 -16.314 1.00 74.20 H new ATOM 0 HA GLU A 661 4.636 -37.211 -15.368 1.00 31.32 H new ATOM 0 HB2 GLU A 661 3.577 -35.164 -16.585 1.00 20.05 H new ATOM 0 HB3 GLU A 661 4.368 -35.781 -18.022 1.00 20.05 H new ATOM 0 HG2 GLU A 661 2.813 -37.306 -18.315 1.00 22.11 H new ATOM 0 HG3 GLU A 661 3.000 -37.904 -16.679 1.00 22.11 H new ATOM 2103 N VAL A 662 5.994 -38.830 -16.671 1.00 73.34 N ATOM 2104 CA VAL A 662 6.921 -39.789 -17.264 1.00 14.14 C ATOM 2105 C VAL A 662 6.125 -40.843 -17.970 1.00 43.51 C ATOM 2106 O VAL A 662 5.172 -41.397 -17.437 1.00 21.15 O ATOM 2107 CB VAL A 662 7.792 -40.487 -16.171 1.00 72.14 C ATOM 2108 CG1 VAL A 662 8.997 -41.199 -16.718 1.00 1.12 C ATOM 2109 CG2 VAL A 662 8.035 -39.618 -14.919 1.00 14.31 C ATOM 0 H VAL A 662 5.408 -39.230 -15.938 1.00 73.34 H new ATOM 0 HA VAL A 662 7.579 -39.256 -17.950 1.00 14.14 H new ATOM 0 HB VAL A 662 7.180 -41.303 -15.787 1.00 72.14 H new ATOM 0 HG11 VAL A 662 9.551 -41.658 -15.899 1.00 1.12 H new ATOM 0 HG12 VAL A 662 8.677 -41.971 -17.418 1.00 1.12 H new ATOM 0 HG13 VAL A 662 9.638 -40.485 -17.234 1.00 1.12 H new ATOM 0 HG21 VAL A 662 8.647 -40.170 -14.206 1.00 14.31 H new ATOM 0 HG22 VAL A 662 8.551 -38.702 -15.207 1.00 14.31 H new ATOM 0 HG23 VAL A 662 7.079 -39.367 -14.459 1.00 14.31 H new ATOM 2119 N ILE A 663 6.528 -41.107 -19.190 1.00 43.23 N ATOM 2120 CA ILE A 663 5.917 -42.132 -19.995 1.00 74.22 C ATOM 2121 C ILE A 663 6.959 -43.216 -20.068 1.00 14.34 C ATOM 2122 O ILE A 663 8.139 -42.923 -20.289 1.00 43.24 O ATOM 2123 CB ILE A 663 5.582 -41.588 -21.396 1.00 64.44 C ATOM 2124 CG1 ILE A 663 4.390 -40.616 -21.311 1.00 33.42 C ATOM 2125 CG2 ILE A 663 5.312 -42.734 -22.366 1.00 54.22 C ATOM 2126 CD1 ILE A 663 3.004 -41.302 -21.229 1.00 74.41 C ATOM 0 H ILE A 663 7.292 -40.614 -19.652 1.00 43.23 H new ATOM 0 HA ILE A 663 4.977 -42.493 -19.578 1.00 74.22 H new ATOM 0 HB ILE A 663 6.439 -41.035 -21.781 1.00 64.44 H new ATOM 0 HG12 ILE A 663 4.518 -39.980 -20.435 1.00 33.42 H new ATOM 0 HG13 ILE A 663 4.407 -39.964 -22.184 1.00 33.42 H new ATOM 0 HG21 ILE A 663 5.077 -42.330 -23.351 1.00 54.22 H new ATOM 0 HG22 ILE A 663 6.196 -43.368 -22.435 1.00 54.22 H new ATOM 0 HG23 ILE A 663 4.470 -43.325 -22.006 1.00 54.22 H new ATOM 0 HD11 ILE A 663 2.225 -40.542 -21.172 1.00 74.41 H new ATOM 0 HD12 ILE A 663 2.849 -41.916 -22.116 1.00 74.41 H new ATOM 0 HD13 ILE A 663 2.962 -41.932 -20.340 1.00 74.41 H new ATOM 2138 N ILE A 664 6.538 -44.450 -19.858 1.00 13.11 N ATOM 2139 CA ILE A 664 7.444 -45.582 -19.970 1.00 2.15 C ATOM 2140 C ILE A 664 7.395 -46.025 -21.447 1.00 30.23 C ATOM 2141 O ILE A 664 6.507 -46.753 -21.877 1.00 0.53 O ATOM 2142 CB ILE A 664 7.091 -46.693 -18.923 1.00 63.22 C ATOM 2143 CG1 ILE A 664 7.095 -46.044 -17.509 1.00 45.53 C ATOM 2144 CG2 ILE A 664 8.125 -47.852 -19.008 1.00 22.15 C ATOM 2145 CD1 ILE A 664 6.783 -46.962 -16.295 1.00 14.51 C ATOM 0 H ILE A 664 5.579 -44.695 -19.610 1.00 13.11 H new ATOM 0 HA ILE A 664 8.474 -45.327 -19.722 1.00 2.15 H new ATOM 0 HB ILE A 664 6.106 -47.113 -19.128 1.00 63.22 H new ATOM 0 HG12 ILE A 664 8.075 -45.596 -17.348 1.00 45.53 H new ATOM 0 HG13 ILE A 664 6.369 -45.231 -17.511 1.00 45.53 H new ATOM 0 HG21 ILE A 664 7.872 -48.620 -18.277 1.00 22.15 H new ATOM 0 HG22 ILE A 664 8.106 -48.284 -20.009 1.00 22.15 H new ATOM 0 HG23 ILE A 664 9.122 -47.466 -18.798 1.00 22.15 H new ATOM 0 HD11 ILE A 664 6.821 -46.376 -15.377 1.00 14.51 H new ATOM 0 HD12 ILE A 664 5.788 -47.392 -16.410 1.00 14.51 H new ATOM 0 HD13 ILE A 664 7.521 -47.763 -16.245 1.00 14.51 H new