USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 649 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 540 ASN : amide:sc= -0.775 K(o=-1.1,f=-1.9) USER MOD Set 1.2: A 541 THR OG1 : rot 180:sc= -0.306 USER MOD Set 2.1: A 535 HIS : no HD1:sc= -3.98! C(o=-6.4!,f=-6.7!) USER MOD Set 2.2: A 549 SER OG : rot -75:sc= -2.45! USER MOD Single : A 501 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 511 HIS : no HD1:sc= -2.12! C(o=-2.1!,f=-7!) USER MOD Single : A 515 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 516 THR OG1 : rot -53:sc= 1.22 USER MOD Single : A 521 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-1.9) USER MOD Single : A 524 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 525 GLN : amide:sc= -0.0592 K(o=-0.059,f=-2.1!) USER MOD Single : A 528 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.84) USER MOD Single : A 533 THR OG1 : rot 180:sc= 0 USER MOD Single : A 537 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.2!) USER MOD Single : A 539 THR OG1 : rot 180:sc= -0.05 USER MOD Single : A 542 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 548 CYS SG : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 553 THR OG1 : rot 180:sc= 0 USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 557 LYS NZ :NH3+ -153:sc= -0.136 (180deg=-1.01) USER MOD Single : A 559 GLN : amide:sc= -2.49! C(o=-2.5!,f=-7.2!) USER MOD Single : A 560 SER OG : rot 180:sc= 0 USER MOD Single : A 561 TYR OH : rot 165:sc= 0 USER MOD Single : B 878 LYS NZ :NH3+ 162:sc= -0.155 (180deg=-0.87) USER MOD Single : B 882 SER OG : rot 8:sc= 0.654 USER MOD Single : B 887 SER OG : rot -17:sc= 0.0973 USER MOD ----------------------------------------------------------------- ATOM 15 N LYS A 501 6.443 -20.314 -3.113 1.00 0.00 N ATOM 16 CA LYS A 501 6.659 -19.616 -1.851 1.00 0.00 C ATOM 17 C LYS A 501 7.399 -18.303 -2.086 1.00 0.00 C ATOM 18 O LYS A 501 7.606 -17.520 -1.160 1.00 0.00 O ATOM 19 CB LYS A 501 7.471 -20.496 -0.898 1.00 0.00 C ATOM 20 CG LYS A 501 6.803 -21.869 -0.778 1.00 0.00 C ATOM 21 CD LYS A 501 7.381 -22.615 0.428 1.00 0.00 C ATOM 22 CE LYS A 501 8.868 -22.899 0.196 1.00 0.00 C ATOM 23 NZ LYS A 501 9.330 -23.940 1.158 1.00 0.00 N ATOM 0 HA LYS A 501 5.687 -19.400 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 501 8.490 -20.607 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 501 7.537 -20.025 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 501 5.725 -21.752 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 501 6.967 -22.446 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 501 7.251 -22.020 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 501 6.842 -23.550 0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 501 9.029 -23.237 -0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 501 9.448 -21.985 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 10.340 -24.134 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 9.189 -23.600 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 8.784 -24.813 1.014 1.00 0.00 H new ATOM 37 N ALA A 502 7.798 -18.072 -3.331 1.00 0.00 N ATOM 38 CA ALA A 502 8.518 -16.852 -3.681 1.00 0.00 C ATOM 39 C ALA A 502 7.600 -15.638 -3.571 1.00 0.00 C ATOM 40 O ALA A 502 7.964 -14.622 -2.978 1.00 0.00 O ATOM 41 CB ALA A 502 9.063 -16.955 -5.106 1.00 0.00 C ATOM 0 H ALA A 502 7.637 -18.709 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 502 9.348 -16.731 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 502 9.599 -16.040 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 502 9.743 -17.804 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 502 8.236 -17.095 -5.803 1.00 0.00 H new ATOM 47 N TYR A 503 6.412 -15.749 -4.154 1.00 0.00 N ATOM 48 CA TYR A 503 5.452 -14.652 -4.123 1.00 0.00 C ATOM 49 C TYR A 503 5.356 -14.062 -2.720 1.00 0.00 C ATOM 50 O TYR A 503 5.631 -12.880 -2.516 1.00 0.00 O ATOM 51 CB TYR A 503 4.071 -15.148 -4.562 1.00 0.00 C ATOM 52 CG TYR A 503 3.178 -13.962 -4.841 1.00 0.00 C ATOM 53 CD1 TYR A 503 3.467 -13.114 -5.917 1.00 0.00 C ATOM 54 CD2 TYR A 503 2.067 -13.705 -4.026 1.00 0.00 C ATOM 55 CE1 TYR A 503 2.647 -12.011 -6.178 1.00 0.00 C ATOM 56 CE2 TYR A 503 1.247 -12.600 -4.288 1.00 0.00 C ATOM 57 CZ TYR A 503 1.539 -11.753 -5.363 1.00 0.00 C ATOM 58 OH TYR A 503 0.730 -10.664 -5.623 1.00 0.00 O ATOM 0 H TYR A 503 6.092 -16.581 -4.650 1.00 0.00 H new ATOM 0 HA TYR A 503 5.796 -13.879 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR A 503 4.161 -15.767 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 503 3.632 -15.773 -3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 503 4.323 -13.311 -6.545 1.00 0.00 H new ATOM 0 HD2 TYR A 503 1.843 -14.359 -3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 503 2.869 -11.358 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 503 0.390 -12.402 -3.661 1.00 0.00 H new ATOM 0 HH TYR A 503 0.005 -10.630 -4.964 1.00 0.00 H new ATOM 68 N LEU A 504 4.968 -14.892 -1.753 1.00 0.00 N ATOM 69 CA LEU A 504 4.841 -14.435 -0.371 1.00 0.00 C ATOM 70 C LEU A 504 6.039 -13.570 0.017 1.00 0.00 C ATOM 71 O LEU A 504 5.879 -12.472 0.549 1.00 0.00 O ATOM 72 CB LEU A 504 4.740 -15.643 0.573 1.00 0.00 C ATOM 73 CG LEU A 504 3.322 -16.226 0.528 1.00 0.00 C ATOM 74 CD1 LEU A 504 3.029 -16.763 -0.877 1.00 0.00 C ATOM 75 CD2 LEU A 504 3.209 -17.365 1.545 1.00 0.00 C ATOM 0 H LEU A 504 4.738 -15.875 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 504 3.935 -13.835 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 504 5.464 -16.404 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 504 4.986 -15.341 1.591 1.00 0.00 H new ATOM 0 HG LEU A 504 2.601 -15.445 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 504 2.021 -17.176 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 504 3.109 -15.952 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 504 3.748 -17.543 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 504 2.202 -17.781 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 504 3.931 -18.144 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 504 3.414 -16.982 2.545 1.00 0.00 H new ATOM 87 N ASP A 505 7.239 -14.075 -0.253 1.00 0.00 N ATOM 88 CA ASP A 505 8.456 -13.339 0.072 1.00 0.00 C ATOM 89 C ASP A 505 8.357 -11.897 -0.421 1.00 0.00 C ATOM 90 O ASP A 505 8.645 -10.957 0.320 1.00 0.00 O ATOM 91 CB ASP A 505 9.669 -14.018 -0.570 1.00 0.00 C ATOM 92 CG ASP A 505 10.956 -13.521 0.084 1.00 0.00 C ATOM 93 OD1 ASP A 505 11.249 -13.964 1.180 1.00 0.00 O ATOM 94 OD2 ASP A 505 11.626 -12.702 -0.524 1.00 0.00 O ATOM 0 H ASP A 505 7.394 -14.983 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 505 8.576 -13.335 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 505 9.590 -15.100 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 505 9.690 -13.807 -1.639 1.00 0.00 H new ATOM 99 N GLU A 506 7.945 -11.730 -1.674 1.00 0.00 N ATOM 100 CA GLU A 506 7.809 -10.396 -2.253 1.00 0.00 C ATOM 101 C GLU A 506 6.920 -9.524 -1.373 1.00 0.00 C ATOM 102 O GLU A 506 7.021 -8.298 -1.388 1.00 0.00 O ATOM 103 CB GLU A 506 7.201 -10.493 -3.654 1.00 0.00 C ATOM 104 CG GLU A 506 7.979 -11.518 -4.481 1.00 0.00 C ATOM 105 CD GLU A 506 9.448 -11.121 -4.560 1.00 0.00 C ATOM 106 OE1 GLU A 506 9.767 -10.264 -5.368 1.00 0.00 O ATOM 107 OE2 GLU A 506 10.233 -11.679 -3.811 1.00 0.00 O ATOM 0 H GLU A 506 7.701 -12.494 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 506 8.799 -9.944 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 506 6.153 -10.785 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 506 7.230 -9.519 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 506 7.885 -12.506 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 506 7.557 -11.583 -5.484 1.00 0.00 H new ATOM 114 N LEU A 507 6.055 -10.172 -0.601 1.00 0.00 N ATOM 115 CA LEU A 507 5.148 -9.461 0.294 1.00 0.00 C ATOM 116 C LEU A 507 5.837 -9.165 1.627 1.00 0.00 C ATOM 117 O LEU A 507 5.731 -8.059 2.157 1.00 0.00 O ATOM 118 CB LEU A 507 3.894 -10.306 0.538 1.00 0.00 C ATOM 119 CG LEU A 507 3.477 -10.989 -0.766 1.00 0.00 C ATOM 120 CD1 LEU A 507 2.160 -11.736 -0.548 1.00 0.00 C ATOM 121 CD2 LEU A 507 3.291 -9.941 -1.865 1.00 0.00 C ATOM 0 H LEU A 507 5.962 -11.187 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 507 4.865 -8.517 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 507 4.090 -11.054 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 507 3.084 -9.676 0.906 1.00 0.00 H new ATOM 0 HG LEU A 507 4.253 -11.692 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 507 1.860 -12.224 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 507 2.292 -12.487 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 507 1.387 -11.030 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 507 2.994 -10.434 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 507 2.517 -9.234 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 507 4.229 -9.408 -2.022 1.00 0.00 H new ATOM 133 N VAL A 508 6.535 -10.161 2.164 1.00 0.00 N ATOM 134 CA VAL A 508 7.228 -9.992 3.439 1.00 0.00 C ATOM 135 C VAL A 508 8.220 -8.832 3.371 1.00 0.00 C ATOM 136 O VAL A 508 8.126 -7.877 4.141 1.00 0.00 O ATOM 137 CB VAL A 508 7.963 -11.278 3.810 1.00 0.00 C ATOM 138 CG1 VAL A 508 8.663 -11.092 5.159 1.00 0.00 C ATOM 139 CG2 VAL A 508 6.953 -12.423 3.917 1.00 0.00 C ATOM 0 H VAL A 508 6.636 -11.084 1.743 1.00 0.00 H new ATOM 0 HA VAL A 508 6.484 -9.767 4.203 1.00 0.00 H new ATOM 0 HB VAL A 508 8.703 -11.511 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 508 9.188 -12.009 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 508 9.378 -10.272 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 508 7.922 -10.862 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 508 7.473 -13.344 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 508 6.217 -12.188 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 508 6.449 -12.554 2.960 1.00 0.00 H new ATOM 149 N GLU A 509 9.169 -8.921 2.446 1.00 0.00 N ATOM 150 CA GLU A 509 10.165 -7.866 2.295 1.00 0.00 C ATOM 151 C GLU A 509 9.477 -6.509 2.213 1.00 0.00 C ATOM 152 O GLU A 509 9.806 -5.589 2.961 1.00 0.00 O ATOM 153 CB GLU A 509 10.995 -8.102 1.032 1.00 0.00 C ATOM 154 CG GLU A 509 11.830 -9.372 1.197 1.00 0.00 C ATOM 155 CD GLU A 509 12.387 -9.809 -0.153 1.00 0.00 C ATOM 156 OE1 GLU A 509 11.597 -10.023 -1.057 1.00 0.00 O ATOM 157 OE2 GLU A 509 13.598 -9.922 -0.263 1.00 0.00 O ATOM 0 H GLU A 509 9.270 -9.702 1.797 1.00 0.00 H new ATOM 0 HA GLU A 509 10.826 -7.881 3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 509 10.340 -8.196 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 509 11.646 -7.248 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 509 12.647 -9.192 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 509 11.217 -10.167 1.622 1.00 0.00 H new ATOM 164 N LEU A 510 8.508 -6.397 1.309 1.00 0.00 N ATOM 165 CA LEU A 510 7.770 -5.150 1.151 1.00 0.00 C ATOM 166 C LEU A 510 7.147 -4.760 2.491 1.00 0.00 C ATOM 167 O LEU A 510 7.325 -3.642 2.972 1.00 0.00 O ATOM 168 CB LEU A 510 6.673 -5.327 0.071 1.00 0.00 C ATOM 169 CG LEU A 510 7.091 -4.660 -1.249 1.00 0.00 C ATOM 170 CD1 LEU A 510 8.293 -5.394 -1.848 1.00 0.00 C ATOM 171 CD2 LEU A 510 5.923 -4.715 -2.238 1.00 0.00 C ATOM 0 H LEU A 510 8.218 -7.147 0.681 1.00 0.00 H new ATOM 0 HA LEU A 510 8.446 -4.357 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 510 6.489 -6.388 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 510 5.737 -4.892 0.423 1.00 0.00 H new ATOM 0 HG LEU A 510 7.363 -3.623 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 510 8.583 -4.915 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 510 9.128 -5.357 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 510 8.026 -6.433 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 510 6.217 -4.242 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 510 5.653 -5.754 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 510 5.066 -4.187 -1.819 1.00 0.00 H new ATOM 183 N HIS A 511 6.423 -5.701 3.088 1.00 0.00 N ATOM 184 CA HIS A 511 5.784 -5.460 4.374 1.00 0.00 C ATOM 185 C HIS A 511 6.774 -4.851 5.352 1.00 0.00 C ATOM 186 O HIS A 511 6.550 -3.769 5.895 1.00 0.00 O ATOM 187 CB HIS A 511 5.262 -6.776 4.947 1.00 0.00 C ATOM 188 CG HIS A 511 4.468 -6.491 6.185 1.00 0.00 C ATOM 189 ND1 HIS A 511 4.959 -6.733 7.459 1.00 0.00 N ATOM 190 CD2 HIS A 511 3.216 -5.975 6.355 1.00 0.00 C ATOM 191 CE1 HIS A 511 4.005 -6.362 8.334 1.00 0.00 C ATOM 192 NE2 HIS A 511 2.921 -5.892 7.711 1.00 0.00 N ATOM 0 H HIS A 511 6.265 -6.632 2.703 1.00 0.00 H new ATOM 0 HA HIS A 511 4.956 -4.767 4.224 1.00 0.00 H new ATOM 0 HB2 HIS A 511 4.641 -7.286 4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 511 6.094 -7.441 5.179 1.00 0.00 H new ATOM 0 HD2 HIS A 511 2.554 -5.676 5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 511 4.104 -6.435 9.407 1.00 0.00 H new ATOM 0 HE2 HIS A 511 2.062 -5.547 8.138 1.00 0.00 H new ATOM 201 N ARG A 512 7.876 -5.558 5.560 1.00 0.00 N ATOM 202 CA ARG A 512 8.920 -5.097 6.464 1.00 0.00 C ATOM 203 C ARG A 512 9.360 -3.680 6.102 1.00 0.00 C ATOM 204 O ARG A 512 9.374 -2.788 6.952 1.00 0.00 O ATOM 205 CB ARG A 512 10.114 -6.051 6.369 1.00 0.00 C ATOM 206 CG ARG A 512 11.188 -5.674 7.397 1.00 0.00 C ATOM 207 CD ARG A 512 10.649 -5.845 8.829 1.00 0.00 C ATOM 208 NE ARG A 512 10.044 -4.599 9.291 1.00 0.00 N ATOM 209 CZ ARG A 512 10.789 -3.624 9.805 1.00 0.00 C ATOM 210 NH1 ARG A 512 12.082 -3.770 9.893 1.00 0.00 N ATOM 211 NH2 ARG A 512 10.226 -2.523 10.219 1.00 0.00 N ATOM 0 H ARG A 512 8.070 -6.455 5.114 1.00 0.00 H new ATOM 0 HA ARG A 512 8.532 -5.084 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 512 9.783 -7.075 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 512 10.536 -6.016 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 512 12.069 -6.300 7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 512 11.502 -4.642 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 512 9.912 -6.647 8.855 1.00 0.00 H new ATOM 0 HD3 ARG A 512 11.459 -6.135 9.498 1.00 0.00 H new ATOM 0 HE ARG A 512 9.034 -4.474 9.219 1.00 0.00 H new ATOM 0 HH11 ARG A 512 12.521 -4.631 9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 512 12.654 -3.023 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 512 9.215 -2.410 10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 512 10.797 -1.775 10.613 1.00 0.00 H new ATOM 225 N ARG A 513 9.727 -3.481 4.841 1.00 0.00 N ATOM 226 CA ARG A 513 10.175 -2.171 4.378 1.00 0.00 C ATOM 227 C ARG A 513 9.117 -1.098 4.627 1.00 0.00 C ATOM 228 O ARG A 513 9.422 -0.026 5.150 1.00 0.00 O ATOM 229 CB ARG A 513 10.497 -2.231 2.885 1.00 0.00 C ATOM 230 CG ARG A 513 11.771 -3.052 2.671 1.00 0.00 C ATOM 231 CD ARG A 513 11.915 -3.393 1.187 1.00 0.00 C ATOM 232 NE ARG A 513 11.972 -2.172 0.392 1.00 0.00 N ATOM 233 CZ ARG A 513 13.069 -1.422 0.363 1.00 0.00 C ATOM 234 NH1 ARG A 513 14.120 -1.776 1.051 1.00 0.00 N ATOM 235 NH2 ARG A 513 13.095 -0.331 -0.355 1.00 0.00 N ATOM 0 H ARG A 513 9.724 -4.206 4.123 1.00 0.00 H new ATOM 0 HA ARG A 513 11.070 -1.906 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 513 9.666 -2.680 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 513 10.630 -1.224 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 513 12.640 -2.490 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 513 11.731 -3.966 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 513 12.819 -3.982 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 513 11.074 -4.007 0.864 1.00 0.00 H new ATOM 0 HE ARG A 513 11.156 -1.889 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 513 14.100 -2.628 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 513 14.962 -1.200 1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 513 12.274 -0.055 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 513 13.937 0.245 -0.377 1.00 0.00 H new ATOM 249 N LEU A 514 7.875 -1.389 4.249 1.00 0.00 N ATOM 250 CA LEU A 514 6.786 -0.434 4.435 1.00 0.00 C ATOM 251 C LEU A 514 6.631 -0.075 5.907 1.00 0.00 C ATOM 252 O LEU A 514 6.392 1.081 6.254 1.00 0.00 O ATOM 253 CB LEU A 514 5.472 -1.030 3.919 1.00 0.00 C ATOM 254 CG LEU A 514 5.547 -1.234 2.393 1.00 0.00 C ATOM 255 CD1 LEU A 514 4.545 -2.309 1.971 1.00 0.00 C ATOM 256 CD2 LEU A 514 5.208 0.072 1.660 1.00 0.00 C ATOM 0 H LEU A 514 7.599 -2.270 3.816 1.00 0.00 H new ATOM 0 HA LEU A 514 7.025 0.469 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 514 5.277 -1.982 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 514 4.642 -0.368 4.165 1.00 0.00 H new ATOM 0 HG LEU A 514 6.560 -1.541 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 514 4.599 -2.453 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 514 4.783 -3.246 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 514 3.538 -1.996 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 514 5.266 -0.089 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 514 4.199 0.387 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 514 5.918 0.847 1.949 1.00 0.00 H new ATOM 268 N MET A 515 6.751 -1.080 6.764 1.00 0.00 N ATOM 269 CA MET A 515 6.605 -0.873 8.197 1.00 0.00 C ATOM 270 C MET A 515 7.567 0.197 8.702 1.00 0.00 C ATOM 271 O MET A 515 7.216 0.993 9.574 1.00 0.00 O ATOM 272 CB MET A 515 6.856 -2.186 8.940 1.00 0.00 C ATOM 273 CG MET A 515 6.381 -2.055 10.387 1.00 0.00 C ATOM 274 SD MET A 515 4.573 -2.110 10.435 1.00 0.00 S ATOM 275 CE MET A 515 4.381 -1.755 12.199 1.00 0.00 C ATOM 0 H MET A 515 6.948 -2.043 6.492 1.00 0.00 H new ATOM 0 HA MET A 515 5.587 -0.533 8.388 1.00 0.00 H new ATOM 0 HB2 MET A 515 6.328 -3.002 8.446 1.00 0.00 H new ATOM 0 HB3 MET A 515 7.918 -2.432 8.916 1.00 0.00 H new ATOM 0 HG2 MET A 515 6.796 -2.861 10.992 1.00 0.00 H new ATOM 0 HG3 MET A 515 6.739 -1.119 10.815 1.00 0.00 H new ATOM 0 HE1 MET A 515 3.321 -1.741 12.454 1.00 0.00 H new ATOM 0 HE2 MET A 515 4.884 -2.526 12.782 1.00 0.00 H new ATOM 0 HE3 MET A 515 4.822 -0.784 12.425 1.00 0.00 H new ATOM 285 N THR A 516 8.784 0.220 8.153 1.00 0.00 N ATOM 286 CA THR A 516 9.790 1.204 8.559 1.00 0.00 C ATOM 287 C THR A 516 9.923 2.302 7.508 1.00 0.00 C ATOM 288 O THR A 516 10.911 3.038 7.497 1.00 0.00 O ATOM 289 CB THR A 516 11.143 0.513 8.743 1.00 0.00 C ATOM 290 OG1 THR A 516 12.109 1.471 9.156 1.00 0.00 O ATOM 291 CG2 THR A 516 11.579 -0.117 7.420 1.00 0.00 C ATOM 0 H THR A 516 9.095 -0.428 7.430 1.00 0.00 H new ATOM 0 HA THR A 516 9.473 1.653 9.500 1.00 0.00 H new ATOM 0 HB THR A 516 11.055 -0.265 9.501 1.00 0.00 H new ATOM 0 HG1 THR A 516 12.108 2.227 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 516 12.543 -0.609 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 516 10.837 -0.851 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 516 11.668 0.659 6.660 1.00 0.00 H new ATOM 299 N LEU A 517 8.935 2.415 6.620 1.00 0.00 N ATOM 300 CA LEU A 517 8.973 3.434 5.571 1.00 0.00 C ATOM 301 C LEU A 517 8.251 4.699 6.020 1.00 0.00 C ATOM 302 O LEU A 517 7.045 4.684 6.266 1.00 0.00 O ATOM 303 CB LEU A 517 8.320 2.884 4.301 1.00 0.00 C ATOM 304 CG LEU A 517 8.464 3.885 3.143 1.00 0.00 C ATOM 305 CD1 LEU A 517 9.949 4.088 2.787 1.00 0.00 C ATOM 306 CD2 LEU A 517 7.713 3.337 1.924 1.00 0.00 C ATOM 0 H LEU A 517 8.107 1.820 6.605 1.00 0.00 H new ATOM 0 HA LEU A 517 10.013 3.688 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 517 8.783 1.935 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 517 7.265 2.682 4.486 1.00 0.00 H new ATOM 0 HG LEU A 517 8.047 4.846 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 517 10.032 4.800 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 517 10.482 4.473 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 517 10.385 3.135 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 517 7.807 4.037 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 517 8.138 2.375 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 517 6.660 3.208 2.173 1.00 0.00 H new ATOM 318 N ARG A 518 8.997 5.800 6.117 1.00 0.00 N ATOM 319 CA ARG A 518 8.429 7.087 6.529 1.00 0.00 C ATOM 320 C ARG A 518 8.451 8.060 5.350 1.00 0.00 C ATOM 321 O ARG A 518 8.157 9.245 5.504 1.00 0.00 O ATOM 322 CB ARG A 518 9.243 7.666 7.702 1.00 0.00 C ATOM 323 CG ARG A 518 8.743 7.092 9.036 1.00 0.00 C ATOM 324 CD ARG A 518 8.692 5.559 8.971 1.00 0.00 C ATOM 325 NE ARG A 518 8.761 4.997 10.315 1.00 0.00 N ATOM 326 CZ ARG A 518 7.699 4.988 11.114 1.00 0.00 C ATOM 327 NH1 ARG A 518 6.568 5.489 10.700 1.00 0.00 N ATOM 328 NH2 ARG A 518 7.788 4.478 12.312 1.00 0.00 N ATOM 0 H ARG A 518 9.997 5.828 5.916 1.00 0.00 H new ATOM 0 HA ARG A 518 7.398 6.938 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 518 10.299 7.431 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 518 9.157 8.753 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 518 9.402 7.407 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 518 7.752 7.486 9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 518 7.772 5.239 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 518 9.520 5.185 8.369 1.00 0.00 H new ATOM 0 HE ARG A 518 9.641 4.603 10.648 1.00 0.00 H new ATOM 0 HH11 ARG A 518 6.499 5.887 9.764 1.00 0.00 H new ATOM 0 HH12 ARG A 518 5.753 5.482 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 518 8.673 4.086 12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 518 6.973 4.471 12.925 1.00 0.00 H new ATOM 342 N GLU A 519 8.808 7.546 4.176 1.00 0.00 N ATOM 343 CA GLU A 519 8.875 8.373 2.976 1.00 0.00 C ATOM 344 C GLU A 519 7.472 8.753 2.505 1.00 0.00 C ATOM 345 O GLU A 519 6.815 7.990 1.799 1.00 0.00 O ATOM 346 CB GLU A 519 9.605 7.614 1.864 1.00 0.00 C ATOM 347 CG GLU A 519 10.064 8.598 0.781 1.00 0.00 C ATOM 348 CD GLU A 519 11.314 9.339 1.241 1.00 0.00 C ATOM 349 OE1 GLU A 519 12.388 8.769 1.143 1.00 0.00 O ATOM 350 OE2 GLU A 519 11.178 10.468 1.683 1.00 0.00 O ATOM 0 H GLU A 519 9.054 6.567 4.031 1.00 0.00 H new ATOM 0 HA GLU A 519 9.422 9.286 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 519 10.464 7.085 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 519 8.945 6.862 1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 519 10.270 8.061 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 519 9.268 9.311 0.566 1.00 0.00 H new ATOM 357 N ARG A 520 7.023 9.938 2.903 1.00 0.00 N ATOM 358 CA ARG A 520 5.695 10.413 2.524 1.00 0.00 C ATOM 359 C ARG A 520 5.539 10.467 1.006 1.00 0.00 C ATOM 360 O ARG A 520 4.423 10.427 0.489 1.00 0.00 O ATOM 361 CB ARG A 520 5.455 11.805 3.111 1.00 0.00 C ATOM 362 CG ARG A 520 5.256 11.695 4.625 1.00 0.00 C ATOM 363 CD ARG A 520 5.282 13.092 5.249 1.00 0.00 C ATOM 364 NE ARG A 520 4.576 14.039 4.394 1.00 0.00 N ATOM 365 CZ ARG A 520 3.250 14.047 4.327 1.00 0.00 C ATOM 366 NH1 ARG A 520 2.555 13.196 5.032 1.00 0.00 N ATOM 367 NH2 ARG A 520 2.640 14.905 3.555 1.00 0.00 N ATOM 0 H ARG A 520 7.555 10.585 3.485 1.00 0.00 H new ATOM 0 HA ARG A 520 4.960 9.712 2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 520 6.302 12.455 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 520 4.578 12.259 2.650 1.00 0.00 H new ATOM 0 HG2 ARG A 520 4.306 11.206 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 520 6.040 11.076 5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 520 4.819 13.066 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 520 6.313 13.416 5.389 1.00 0.00 H new ATOM 0 HE ARG A 520 5.110 14.707 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 520 3.031 12.525 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 520 1.536 13.203 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 520 3.182 15.570 3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 520 1.621 14.911 3.504 1.00 0.00 H new ATOM 381 N HIS A 521 6.658 10.569 0.296 1.00 0.00 N ATOM 382 CA HIS A 521 6.619 10.641 -1.162 1.00 0.00 C ATOM 383 C HIS A 521 6.039 9.364 -1.766 1.00 0.00 C ATOM 384 O HIS A 521 5.280 9.419 -2.731 1.00 0.00 O ATOM 385 CB HIS A 521 8.025 10.871 -1.719 1.00 0.00 C ATOM 386 CG HIS A 521 7.940 11.126 -3.198 1.00 0.00 C ATOM 387 ND1 HIS A 521 6.753 11.480 -3.819 1.00 0.00 N ATOM 388 CD2 HIS A 521 8.885 11.078 -4.193 1.00 0.00 C ATOM 389 CE1 HIS A 521 7.011 11.630 -5.131 1.00 0.00 C ATOM 390 NE2 HIS A 521 8.296 11.397 -5.413 1.00 0.00 N ATOM 0 H HIS A 521 7.594 10.603 0.700 1.00 0.00 H new ATOM 0 HA HIS A 521 5.975 11.477 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 521 8.492 11.719 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS A 521 8.652 10.001 -1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 521 9.927 10.830 -4.051 1.00 0.00 H new ATOM 0 HE1 HIS A 521 6.270 11.905 -5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 521 8.748 11.443 -6.326 1.00 0.00 H new ATOM 399 N ILE A 522 6.407 8.214 -1.203 1.00 0.00 N ATOM 400 CA ILE A 522 5.920 6.930 -1.711 1.00 0.00 C ATOM 401 C ILE A 522 4.578 6.566 -1.061 1.00 0.00 C ATOM 402 O ILE A 522 3.623 6.212 -1.753 1.00 0.00 O ATOM 403 CB ILE A 522 6.985 5.835 -1.449 1.00 0.00 C ATOM 404 CG1 ILE A 522 7.983 5.783 -2.616 1.00 0.00 C ATOM 405 CG2 ILE A 522 6.329 4.455 -1.312 1.00 0.00 C ATOM 406 CD1 ILE A 522 8.558 7.175 -2.885 1.00 0.00 C ATOM 0 H ILE A 522 7.035 8.143 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 522 5.754 7.006 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 522 7.499 6.086 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 522 8.789 5.088 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 522 7.487 5.408 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 522 7.097 3.704 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 522 5.627 4.467 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 522 5.796 4.212 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 522 9.264 7.123 -3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 522 7.749 7.860 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 522 9.072 7.535 -1.994 1.00 0.00 H new ATOM 418 N LEU A 523 4.517 6.646 0.265 1.00 0.00 N ATOM 419 CA LEU A 523 3.288 6.314 0.984 1.00 0.00 C ATOM 420 C LEU A 523 2.082 6.960 0.301 1.00 0.00 C ATOM 421 O LEU A 523 0.983 6.415 0.330 1.00 0.00 O ATOM 422 CB LEU A 523 3.391 6.795 2.451 1.00 0.00 C ATOM 423 CG LEU A 523 3.921 5.672 3.353 1.00 0.00 C ATOM 424 CD1 LEU A 523 5.354 5.320 2.960 1.00 0.00 C ATOM 425 CD2 LEU A 523 3.900 6.136 4.813 1.00 0.00 C ATOM 0 H LEU A 523 5.294 6.934 0.859 1.00 0.00 H new ATOM 0 HA LEU A 523 3.155 5.232 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 523 4.053 7.659 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 523 2.411 7.119 2.803 1.00 0.00 H new ATOM 0 HG LEU A 523 3.287 4.793 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 523 5.723 4.522 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 523 5.375 4.987 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 523 5.988 6.199 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 523 4.276 5.339 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 523 4.530 7.018 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 523 2.878 6.382 5.102 1.00 0.00 H new ATOM 437 N GLN A 524 2.284 8.119 -0.307 1.00 0.00 N ATOM 438 CA GLN A 524 1.183 8.804 -0.974 1.00 0.00 C ATOM 439 C GLN A 524 0.845 8.123 -2.295 1.00 0.00 C ATOM 440 O GLN A 524 -0.325 7.971 -2.648 1.00 0.00 O ATOM 441 CB GLN A 524 1.550 10.268 -1.229 1.00 0.00 C ATOM 442 CG GLN A 524 0.286 11.061 -1.570 1.00 0.00 C ATOM 443 CD GLN A 524 0.663 12.427 -2.134 1.00 0.00 C ATOM 444 OE1 GLN A 524 1.430 13.164 -1.516 1.00 0.00 O ATOM 445 NE2 GLN A 524 0.163 12.812 -3.276 1.00 0.00 N ATOM 0 H GLN A 524 3.182 8.600 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 524 0.310 8.759 -0.323 1.00 0.00 H new ATOM 0 HB2 GLN A 524 2.031 10.692 -0.347 1.00 0.00 H new ATOM 0 HB3 GLN A 524 2.267 10.337 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 524 -0.313 10.511 -2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 524 -0.328 11.184 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 524 -0.473 12.199 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 524 0.408 13.726 -3.658 1.00 0.00 H new ATOM 454 N GLN A 525 1.877 7.715 -3.021 1.00 0.00 N ATOM 455 CA GLN A 525 1.686 7.052 -4.306 1.00 0.00 C ATOM 456 C GLN A 525 1.019 5.692 -4.122 1.00 0.00 C ATOM 457 O GLN A 525 -0.015 5.408 -4.729 1.00 0.00 O ATOM 458 CB GLN A 525 3.035 6.859 -4.999 1.00 0.00 C ATOM 459 CG GLN A 525 3.738 8.210 -5.164 1.00 0.00 C ATOM 460 CD GLN A 525 3.133 8.979 -6.334 1.00 0.00 C ATOM 461 OE1 GLN A 525 2.415 8.404 -7.152 1.00 0.00 O ATOM 462 NE2 GLN A 525 3.380 10.254 -6.462 1.00 0.00 N ATOM 0 H GLN A 525 2.852 7.830 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 525 1.041 7.682 -4.919 1.00 0.00 H new ATOM 0 HB2 GLN A 525 3.660 6.184 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 525 2.889 6.394 -5.974 1.00 0.00 H new ATOM 0 HG2 GLN A 525 3.642 8.793 -4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 525 4.804 8.055 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 525 3.975 10.729 -5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 525 2.978 10.776 -7.241 1.00 0.00 H new ATOM 471 N ILE A 526 1.620 4.855 -3.285 1.00 0.00 N ATOM 472 CA ILE A 526 1.083 3.523 -3.029 1.00 0.00 C ATOM 473 C ILE A 526 -0.371 3.606 -2.576 1.00 0.00 C ATOM 474 O ILE A 526 -1.258 3.029 -3.202 1.00 0.00 O ATOM 475 CB ILE A 526 1.928 2.821 -1.962 1.00 0.00 C ATOM 476 CG1 ILE A 526 3.303 2.499 -2.554 1.00 0.00 C ATOM 477 CG2 ILE A 526 1.244 1.523 -1.517 1.00 0.00 C ATOM 478 CD1 ILE A 526 4.254 2.057 -1.440 1.00 0.00 C ATOM 0 H ILE A 526 2.475 5.073 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 526 1.121 2.948 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 526 2.037 3.474 -1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 526 3.212 1.711 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 526 3.705 3.376 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 526 1.854 1.032 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 526 0.263 1.753 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 526 1.129 0.860 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 526 5.231 1.829 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 526 4.355 2.859 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 526 3.854 1.168 -0.952 1.00 0.00 H new ATOM 490 N VAL A 527 -0.607 4.309 -1.472 1.00 0.00 N ATOM 491 CA VAL A 527 -1.959 4.434 -0.935 1.00 0.00 C ATOM 492 C VAL A 527 -2.968 4.656 -2.062 1.00 0.00 C ATOM 493 O VAL A 527 -3.852 3.831 -2.285 1.00 0.00 O ATOM 494 CB VAL A 527 -2.012 5.604 0.059 1.00 0.00 C ATOM 495 CG1 VAL A 527 -3.466 5.882 0.465 1.00 0.00 C ATOM 496 CG2 VAL A 527 -1.189 5.259 1.316 1.00 0.00 C ATOM 0 H VAL A 527 0.111 4.796 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 527 -2.220 3.510 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 527 -1.594 6.491 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 527 -3.494 6.713 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 527 -4.049 6.137 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 527 -3.889 4.994 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 527 -1.230 6.092 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 527 -1.601 4.367 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 527 -0.153 5.074 1.033 1.00 0.00 H new ATOM 506 N ASN A 528 -2.826 5.773 -2.769 1.00 0.00 N ATOM 507 CA ASN A 528 -3.727 6.091 -3.870 1.00 0.00 C ATOM 508 C ASN A 528 -3.803 4.946 -4.882 1.00 0.00 C ATOM 509 O ASN A 528 -4.757 4.859 -5.654 1.00 0.00 O ATOM 510 CB ASN A 528 -3.248 7.360 -4.577 1.00 0.00 C ATOM 511 CG ASN A 528 -4.295 7.824 -5.584 1.00 0.00 C ATOM 512 OD1 ASN A 528 -4.970 8.828 -5.362 1.00 0.00 O ATOM 513 ND2 ASN A 528 -4.470 7.147 -6.686 1.00 0.00 N ATOM 0 H ASN A 528 -2.100 6.469 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 528 -4.723 6.246 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 528 -3.063 8.146 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 528 -2.303 7.168 -5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 528 -5.168 7.450 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 528 -3.909 6.315 -6.868 1.00 0.00 H new ATOM 520 N LEU A 529 -2.800 4.071 -4.880 1.00 0.00 N ATOM 521 CA LEU A 529 -2.785 2.944 -5.814 1.00 0.00 C ATOM 522 C LEU A 529 -3.804 1.886 -5.387 1.00 0.00 C ATOM 523 O LEU A 529 -4.774 1.619 -6.096 1.00 0.00 O ATOM 524 CB LEU A 529 -1.373 2.332 -5.868 1.00 0.00 C ATOM 525 CG LEU A 529 -1.125 1.635 -7.219 1.00 0.00 C ATOM 526 CD1 LEU A 529 -2.241 0.620 -7.491 1.00 0.00 C ATOM 527 CD2 LEU A 529 -1.063 2.667 -8.367 1.00 0.00 C ATOM 0 H LEU A 529 -1.997 4.117 -4.253 1.00 0.00 H new ATOM 0 HA LEU A 529 -3.056 3.303 -6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 529 -0.628 3.113 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 529 -1.253 1.614 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 529 -0.167 1.118 -7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 529 -2.061 0.129 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 529 -2.255 -0.127 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 529 -3.201 1.135 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 529 -0.887 2.151 -9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 529 -2.007 3.209 -8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 529 -0.251 3.370 -8.181 1.00 0.00 H new ATOM 539 N ILE A 530 -3.560 1.279 -4.232 1.00 0.00 N ATOM 540 CA ILE A 530 -4.443 0.238 -3.716 1.00 0.00 C ATOM 541 C ILE A 530 -5.811 0.811 -3.364 1.00 0.00 C ATOM 542 O ILE A 530 -6.789 0.078 -3.209 1.00 0.00 O ATOM 543 CB ILE A 530 -3.799 -0.420 -2.487 1.00 0.00 C ATOM 544 CG1 ILE A 530 -3.926 0.511 -1.253 1.00 0.00 C ATOM 545 CG2 ILE A 530 -2.318 -0.677 -2.789 1.00 0.00 C ATOM 546 CD1 ILE A 530 -5.236 0.244 -0.480 1.00 0.00 C ATOM 0 H ILE A 530 -2.760 1.488 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 530 -4.588 -0.516 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 530 -4.306 -1.359 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 530 -3.073 0.359 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 530 -3.897 1.552 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 530 -1.846 -1.145 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 530 -2.232 -1.338 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 530 -1.821 0.269 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 530 -5.294 0.913 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 530 -6.088 0.421 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 530 -5.251 -0.790 -0.136 1.00 0.00 H new ATOM 558 N GLU A 531 -5.867 2.130 -3.259 1.00 0.00 N ATOM 559 CA GLU A 531 -7.119 2.808 -2.942 1.00 0.00 C ATOM 560 C GLU A 531 -8.039 2.788 -4.155 1.00 0.00 C ATOM 561 O GLU A 531 -9.213 2.434 -4.053 1.00 0.00 O ATOM 562 CB GLU A 531 -6.852 4.254 -2.523 1.00 0.00 C ATOM 563 CG GLU A 531 -8.143 4.891 -1.989 1.00 0.00 C ATOM 564 CD GLU A 531 -9.060 5.272 -3.146 1.00 0.00 C ATOM 565 OE1 GLU A 531 -8.696 6.164 -3.896 1.00 0.00 O ATOM 566 OE2 GLU A 531 -10.112 4.667 -3.266 1.00 0.00 O ATOM 0 H GLU A 531 -5.067 2.750 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 531 -7.598 2.285 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 531 -6.078 4.282 -1.756 1.00 0.00 H new ATOM 0 HB3 GLU A 531 -6.479 4.825 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 531 -8.654 4.193 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 531 -7.904 5.776 -1.399 1.00 0.00 H new ATOM 573 N GLU A 532 -7.495 3.168 -5.306 1.00 0.00 N ATOM 574 CA GLU A 532 -8.275 3.187 -6.536 1.00 0.00 C ATOM 575 C GLU A 532 -8.808 1.793 -6.847 1.00 0.00 C ATOM 576 O GLU A 532 -9.685 1.629 -7.694 1.00 0.00 O ATOM 577 CB GLU A 532 -7.408 3.680 -7.697 1.00 0.00 C ATOM 578 CG GLU A 532 -7.171 5.185 -7.555 1.00 0.00 C ATOM 579 CD GLU A 532 -8.448 5.950 -7.889 1.00 0.00 C ATOM 580 OE1 GLU A 532 -9.348 5.345 -8.450 1.00 0.00 O ATOM 581 OE2 GLU A 532 -8.507 7.129 -7.581 1.00 0.00 O ATOM 0 H GLU A 532 -6.525 3.465 -5.412 1.00 0.00 H new ATOM 0 HA GLU A 532 -9.118 3.865 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 532 -6.455 3.150 -7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 532 -7.898 3.466 -8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 532 -6.854 5.417 -6.538 1.00 0.00 H new ATOM 0 HG3 GLU A 532 -6.366 5.499 -8.219 1.00 0.00 H new ATOM 588 N THR A 533 -8.278 0.793 -6.148 1.00 0.00 N ATOM 589 CA THR A 533 -8.714 -0.586 -6.349 1.00 0.00 C ATOM 590 C THR A 533 -9.975 -0.860 -5.537 1.00 0.00 C ATOM 591 O THR A 533 -10.949 -1.408 -6.052 1.00 0.00 O ATOM 592 CB THR A 533 -7.607 -1.551 -5.918 1.00 0.00 C ATOM 593 OG1 THR A 533 -6.370 -1.131 -6.479 1.00 0.00 O ATOM 594 CG2 THR A 533 -7.936 -2.964 -6.404 1.00 0.00 C ATOM 0 H THR A 533 -7.551 0.910 -5.442 1.00 0.00 H new ATOM 0 HA THR A 533 -8.930 -0.735 -7.407 1.00 0.00 H new ATOM 0 HB THR A 533 -7.532 -1.554 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 533 -5.660 -1.747 -6.203 1.00 0.00 H new ATOM 0 HG21 THR A 533 -7.146 -3.648 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 533 -8.884 -3.286 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 533 -8.013 -2.966 -7.491 1.00 0.00 H new ATOM 602 N GLY A 534 -9.950 -0.468 -4.263 1.00 0.00 N ATOM 603 CA GLY A 534 -11.099 -0.663 -3.374 1.00 0.00 C ATOM 604 C GLY A 534 -10.818 -1.748 -2.340 1.00 0.00 C ATOM 605 O GLY A 534 -11.662 -2.042 -1.494 1.00 0.00 O ATOM 0 H GLY A 534 -9.149 -0.014 -3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 534 -11.334 0.273 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 534 -11.975 -0.936 -3.962 1.00 0.00 H new ATOM 609 N HIS A 535 -9.630 -2.347 -2.412 1.00 0.00 N ATOM 610 CA HIS A 535 -9.257 -3.406 -1.473 1.00 0.00 C ATOM 611 C HIS A 535 -8.604 -2.819 -0.223 1.00 0.00 C ATOM 612 O HIS A 535 -7.438 -3.096 0.062 1.00 0.00 O ATOM 613 CB HIS A 535 -8.292 -4.388 -2.150 1.00 0.00 C ATOM 614 CG HIS A 535 -8.274 -5.688 -1.392 1.00 0.00 C ATOM 615 ND1 HIS A 535 -8.255 -5.735 -0.006 1.00 0.00 N ATOM 616 CD2 HIS A 535 -8.280 -6.995 -1.811 1.00 0.00 C ATOM 617 CE1 HIS A 535 -8.251 -7.030 0.355 1.00 0.00 C ATOM 618 NE2 HIS A 535 -8.265 -7.841 -0.707 1.00 0.00 N ATOM 0 H HIS A 535 -8.915 -2.121 -3.103 1.00 0.00 H new ATOM 0 HA HIS A 535 -10.162 -3.934 -1.174 1.00 0.00 H new ATOM 0 HB2 HIS A 535 -8.599 -4.562 -3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 535 -7.289 -3.962 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 535 -8.294 -7.318 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 535 -8.238 -7.373 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 535 -8.265 -8.861 -0.708 1.00 0.00 H new ATOM 627 N PHE A 536 -9.356 -2.009 0.522 1.00 0.00 N ATOM 628 CA PHE A 536 -8.831 -1.392 1.743 1.00 0.00 C ATOM 629 C PHE A 536 -9.920 -1.294 2.803 1.00 0.00 C ATOM 630 O PHE A 536 -11.112 -1.295 2.495 1.00 0.00 O ATOM 631 CB PHE A 536 -8.289 0.007 1.434 1.00 0.00 C ATOM 632 CG PHE A 536 -9.425 0.921 1.036 1.00 0.00 C ATOM 633 CD1 PHE A 536 -10.241 1.497 2.018 1.00 0.00 C ATOM 634 CD2 PHE A 536 -9.659 1.199 -0.317 1.00 0.00 C ATOM 635 CE1 PHE A 536 -11.290 2.349 1.649 1.00 0.00 C ATOM 636 CE2 PHE A 536 -10.706 2.052 -0.686 1.00 0.00 C ATOM 637 CZ PHE A 536 -11.521 2.626 0.296 1.00 0.00 C ATOM 0 H PHE A 536 -10.322 -1.765 0.305 1.00 0.00 H new ATOM 0 HA PHE A 536 -8.023 -2.017 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 536 -7.776 0.409 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 536 -7.555 -0.047 0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 536 -10.061 1.284 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 536 -9.031 0.755 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 536 -11.920 2.791 2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 536 -10.885 2.267 -1.729 1.00 0.00 H new ATOM 0 HZ PHE A 536 -12.329 3.283 0.010 1.00 0.00 H new ATOM 647 N HIS A 537 -9.489 -1.197 4.062 1.00 0.00 N ATOM 648 CA HIS A 537 -10.406 -1.082 5.196 1.00 0.00 C ATOM 649 C HIS A 537 -9.964 0.064 6.106 1.00 0.00 C ATOM 650 O HIS A 537 -9.141 -0.128 7.000 1.00 0.00 O ATOM 651 CB HIS A 537 -10.425 -2.393 5.986 1.00 0.00 C ATOM 652 CG HIS A 537 -10.431 -3.555 5.030 1.00 0.00 C ATOM 653 ND1 HIS A 537 -11.303 -3.621 3.954 1.00 0.00 N ATOM 654 CD2 HIS A 537 -9.677 -4.700 4.972 1.00 0.00 C ATOM 655 CE1 HIS A 537 -11.054 -4.772 3.302 1.00 0.00 C ATOM 656 NE2 HIS A 537 -10.072 -5.468 3.881 1.00 0.00 N ATOM 0 H HIS A 537 -8.503 -1.196 4.322 1.00 0.00 H new ATOM 0 HA HIS A 537 -11.409 -0.876 4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 537 -9.554 -2.450 6.638 1.00 0.00 H new ATOM 0 HB3 HIS A 537 -11.306 -2.431 6.627 1.00 0.00 H new ATOM 0 HD1 HIS A 537 -12.005 -2.925 3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 537 -8.895 -4.965 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 537 -11.584 -5.094 2.418 1.00 0.00 H new ATOM 665 N ILE A 538 -10.534 1.248 5.890 1.00 0.00 N ATOM 666 CA ILE A 538 -10.212 2.414 6.717 1.00 0.00 C ATOM 667 C ILE A 538 -11.242 2.535 7.840 1.00 0.00 C ATOM 668 O ILE A 538 -12.442 2.389 7.607 1.00 0.00 O ATOM 669 CB ILE A 538 -10.216 3.689 5.860 1.00 0.00 C ATOM 670 CG1 ILE A 538 -8.986 3.691 4.949 1.00 0.00 C ATOM 671 CG2 ILE A 538 -10.168 4.929 6.761 1.00 0.00 C ATOM 672 CD1 ILE A 538 -9.135 4.778 3.881 1.00 0.00 C ATOM 0 H ILE A 538 -11.217 1.427 5.154 1.00 0.00 H new ATOM 0 HA ILE A 538 -9.218 2.288 7.147 1.00 0.00 H new ATOM 0 HB ILE A 538 -11.127 3.711 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 538 -8.086 3.868 5.538 1.00 0.00 H new ATOM 0 HG13 ILE A 538 -8.871 2.716 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 538 -10.171 5.827 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 538 -11.039 4.936 7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 538 -9.260 4.906 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 538 -8.257 4.776 3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 538 -10.026 4.582 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 538 -9.228 5.751 4.363 1.00 0.00 H new ATOM 684 N THR A 539 -10.770 2.791 9.055 1.00 0.00 N ATOM 685 CA THR A 539 -11.665 2.918 10.205 1.00 0.00 C ATOM 686 C THR A 539 -11.067 3.847 11.256 1.00 0.00 C ATOM 687 O THR A 539 -9.862 4.100 11.262 1.00 0.00 O ATOM 688 CB THR A 539 -11.913 1.541 10.823 1.00 0.00 C ATOM 689 OG1 THR A 539 -12.874 1.656 11.862 1.00 0.00 O ATOM 690 CG2 THR A 539 -10.604 0.992 11.392 1.00 0.00 C ATOM 0 H THR A 539 -9.781 2.914 9.271 1.00 0.00 H new ATOM 0 HA THR A 539 -12.609 3.341 9.861 1.00 0.00 H new ATOM 0 HB THR A 539 -12.286 0.860 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 539 -13.035 0.774 12.258 1.00 0.00 H new ATOM 0 HG21 THR A 539 -10.782 0.011 11.832 1.00 0.00 H new ATOM 0 HG22 THR A 539 -9.869 0.903 10.592 1.00 0.00 H new ATOM 0 HG23 THR A 539 -10.227 1.670 12.158 1.00 0.00 H new ATOM 698 N ASN A 540 -11.920 4.354 12.144 1.00 0.00 N ATOM 699 CA ASN A 540 -11.468 5.257 13.197 1.00 0.00 C ATOM 700 C ASN A 540 -10.506 6.293 12.628 1.00 0.00 C ATOM 701 O ASN A 540 -10.925 7.303 12.061 1.00 0.00 O ATOM 702 CB ASN A 540 -10.774 4.461 14.305 1.00 0.00 C ATOM 703 CG ASN A 540 -10.186 5.411 15.344 1.00 0.00 C ATOM 704 OD1 ASN A 540 -10.756 6.465 15.616 1.00 0.00 O ATOM 705 ND2 ASN A 540 -9.070 5.096 15.943 1.00 0.00 N ATOM 0 H ASN A 540 -12.921 4.156 12.155 1.00 0.00 H new ATOM 0 HA ASN A 540 -12.335 5.771 13.612 1.00 0.00 H new ATOM 0 HB2 ASN A 540 -11.487 3.787 14.780 1.00 0.00 H new ATOM 0 HB3 ASN A 540 -9.984 3.842 13.879 1.00 0.00 H new ATOM 0 HD21 ASN A 540 -8.669 5.725 16.639 1.00 0.00 H new ATOM 0 HD22 ASN A 540 -8.599 4.221 15.716 1.00 0.00 H new ATOM 712 N THR A 541 -9.211 6.026 12.772 1.00 0.00 N ATOM 713 CA THR A 541 -8.187 6.930 12.257 1.00 0.00 C ATOM 714 C THR A 541 -6.923 6.152 11.911 1.00 0.00 C ATOM 715 O THR A 541 -5.942 6.181 12.653 1.00 0.00 O ATOM 716 CB THR A 541 -7.864 7.999 13.299 1.00 0.00 C ATOM 717 OG1 THR A 541 -9.073 8.505 13.848 1.00 0.00 O ATOM 718 CG2 THR A 541 -7.082 9.139 12.643 1.00 0.00 C ATOM 0 H THR A 541 -8.847 5.195 13.239 1.00 0.00 H new ATOM 0 HA THR A 541 -8.566 7.410 11.355 1.00 0.00 H new ATOM 0 HB THR A 541 -7.260 7.559 14.093 1.00 0.00 H new ATOM 0 HG1 THR A 541 -8.867 9.190 14.518 1.00 0.00 H new ATOM 0 HG21 THR A 541 -6.853 9.900 13.389 1.00 0.00 H new ATOM 0 HG22 THR A 541 -6.154 8.750 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 541 -7.681 9.580 11.847 1.00 0.00 H new ATOM 726 N THR A 542 -6.955 5.466 10.772 1.00 0.00 N ATOM 727 CA THR A 542 -5.808 4.683 10.320 1.00 0.00 C ATOM 728 C THR A 542 -6.072 4.150 8.910 1.00 0.00 C ATOM 729 O THR A 542 -7.219 4.058 8.473 1.00 0.00 O ATOM 730 CB THR A 542 -5.543 3.509 11.304 1.00 0.00 C ATOM 731 OG1 THR A 542 -6.594 3.461 12.260 1.00 0.00 O ATOM 732 CG2 THR A 542 -4.207 3.703 12.039 1.00 0.00 C ATOM 0 H THR A 542 -7.760 5.436 10.146 1.00 0.00 H new ATOM 0 HA THR A 542 -4.924 5.320 10.296 1.00 0.00 H new ATOM 0 HB THR A 542 -5.498 2.580 10.736 1.00 0.00 H new ATOM 0 HG1 THR A 542 -6.435 2.722 12.884 1.00 0.00 H new ATOM 0 HG21 THR A 542 -4.043 2.869 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 542 -3.395 3.743 11.313 1.00 0.00 H new ATOM 0 HG23 THR A 542 -4.234 4.635 12.604 1.00 0.00 H new ATOM 740 N PHE A 543 -4.998 3.792 8.212 1.00 0.00 N ATOM 741 CA PHE A 543 -5.094 3.255 6.855 1.00 0.00 C ATOM 742 C PHE A 543 -4.467 1.867 6.814 1.00 0.00 C ATOM 743 O PHE A 543 -3.245 1.728 6.765 1.00 0.00 O ATOM 744 CB PHE A 543 -4.372 4.191 5.879 1.00 0.00 C ATOM 745 CG PHE A 543 -4.229 3.526 4.527 1.00 0.00 C ATOM 746 CD1 PHE A 543 -5.353 3.353 3.711 1.00 0.00 C ATOM 747 CD2 PHE A 543 -2.974 3.086 4.091 1.00 0.00 C ATOM 748 CE1 PHE A 543 -5.220 2.740 2.460 1.00 0.00 C ATOM 749 CE2 PHE A 543 -2.842 2.474 2.839 1.00 0.00 C ATOM 750 CZ PHE A 543 -3.965 2.302 2.024 1.00 0.00 C ATOM 0 H PHE A 543 -4.044 3.864 8.566 1.00 0.00 H new ATOM 0 HA PHE A 543 -6.142 3.181 6.563 1.00 0.00 H new ATOM 0 HB2 PHE A 543 -4.929 5.122 5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 543 -3.388 4.449 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 543 -6.322 3.692 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 543 -2.107 3.219 4.721 1.00 0.00 H new ATOM 0 HE1 PHE A 543 -6.087 2.605 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 543 -1.873 2.135 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 543 -3.864 1.831 1.058 1.00 0.00 H new ATOM 760 N ASP A 544 -5.314 0.839 6.848 1.00 0.00 N ATOM 761 CA ASP A 544 -4.843 -0.546 6.831 1.00 0.00 C ATOM 762 C ASP A 544 -5.077 -1.191 5.470 1.00 0.00 C ATOM 763 O ASP A 544 -6.102 -0.957 4.827 1.00 0.00 O ATOM 764 CB ASP A 544 -5.583 -1.352 7.900 1.00 0.00 C ATOM 765 CG ASP A 544 -5.608 -0.575 9.212 1.00 0.00 C ATOM 766 OD1 ASP A 544 -4.670 0.162 9.460 1.00 0.00 O ATOM 767 OD2 ASP A 544 -6.568 -0.731 9.951 1.00 0.00 O ATOM 0 H ASP A 544 -6.328 0.938 6.887 1.00 0.00 H new ATOM 0 HA ASP A 544 -3.772 -0.542 7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 544 -6.601 -1.560 7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 544 -5.093 -2.314 8.047 1.00 0.00 H new ATOM 772 N PHE A 545 -4.128 -2.021 5.049 1.00 0.00 N ATOM 773 CA PHE A 545 -4.237 -2.725 3.774 1.00 0.00 C ATOM 774 C PHE A 545 -3.354 -3.969 3.797 1.00 0.00 C ATOM 775 O PHE A 545 -2.455 -4.070 4.632 1.00 0.00 O ATOM 776 CB PHE A 545 -3.854 -1.810 2.607 1.00 0.00 C ATOM 777 CG PHE A 545 -2.419 -1.359 2.735 1.00 0.00 C ATOM 778 CD1 PHE A 545 -2.093 -0.311 3.601 1.00 0.00 C ATOM 779 CD2 PHE A 545 -1.419 -1.978 1.975 1.00 0.00 C ATOM 780 CE1 PHE A 545 -0.767 0.120 3.710 1.00 0.00 C ATOM 781 CE2 PHE A 545 -0.091 -1.546 2.083 1.00 0.00 C ATOM 782 CZ PHE A 545 0.235 -0.497 2.950 1.00 0.00 C ATOM 0 H PHE A 545 -3.275 -2.223 5.571 1.00 0.00 H new ATOM 0 HA PHE A 545 -5.274 -3.028 3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 545 -3.992 -2.338 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 545 -4.513 -0.942 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 545 -2.865 0.166 4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 545 -1.671 -2.788 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 545 -0.515 0.929 4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 545 0.681 -2.022 1.497 1.00 0.00 H new ATOM 0 HZ PHE A 545 1.259 -0.163 3.033 1.00 0.00 H new ATOM 792 N ASP A 546 -3.596 -4.916 2.890 1.00 0.00 N ATOM 793 CA ASP A 546 -2.793 -6.147 2.837 1.00 0.00 C ATOM 794 C ASP A 546 -1.932 -6.180 1.577 1.00 0.00 C ATOM 795 O ASP A 546 -2.312 -5.645 0.535 1.00 0.00 O ATOM 796 CB ASP A 546 -3.718 -7.365 2.851 1.00 0.00 C ATOM 797 CG ASP A 546 -4.617 -7.323 4.083 1.00 0.00 C ATOM 798 OD1 ASP A 546 -4.117 -7.588 5.163 1.00 0.00 O ATOM 799 OD2 ASP A 546 -5.789 -7.026 3.927 1.00 0.00 O ATOM 0 H ASP A 546 -4.333 -4.860 2.187 1.00 0.00 H new ATOM 0 HA ASP A 546 -2.138 -6.168 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 546 -4.327 -7.380 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 546 -3.127 -8.281 2.853 1.00 0.00 H new ATOM 804 N LEU A 547 -0.775 -6.827 1.682 1.00 0.00 N ATOM 805 CA LEU A 547 0.135 -6.947 0.548 1.00 0.00 C ATOM 806 C LEU A 547 -0.341 -8.053 -0.387 1.00 0.00 C ATOM 807 O LEU A 547 -0.129 -7.996 -1.597 1.00 0.00 O ATOM 808 CB LEU A 547 1.548 -7.282 1.044 1.00 0.00 C ATOM 809 CG LEU A 547 2.245 -6.048 1.646 1.00 0.00 C ATOM 810 CD1 LEU A 547 2.735 -5.109 0.533 1.00 0.00 C ATOM 811 CD2 LEU A 547 1.283 -5.285 2.561 1.00 0.00 C ATOM 0 H LEU A 547 -0.446 -7.275 2.538 1.00 0.00 H new ATOM 0 HA LEU A 547 0.152 -5.998 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 547 1.493 -8.071 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 547 2.143 -7.669 0.216 1.00 0.00 H new ATOM 0 HG LEU A 547 3.100 -6.394 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 547 3.225 -4.243 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 547 3.443 -5.639 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 547 1.885 -4.779 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 547 1.791 -4.416 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 547 0.417 -4.958 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 547 0.956 -5.938 3.370 1.00 0.00 H new ATOM 823 N CYS A 548 -0.991 -9.057 0.190 1.00 0.00 N ATOM 824 CA CYS A 548 -1.504 -10.174 -0.591 1.00 0.00 C ATOM 825 C CYS A 548 -2.725 -9.728 -1.386 1.00 0.00 C ATOM 826 O CYS A 548 -3.254 -10.478 -2.206 1.00 0.00 O ATOM 827 CB CYS A 548 -1.877 -11.333 0.345 1.00 0.00 C ATOM 828 SG CYS A 548 -1.836 -12.891 -0.578 1.00 0.00 S ATOM 0 H CYS A 548 -1.174 -9.120 1.191 1.00 0.00 H new ATOM 0 HA CYS A 548 -0.735 -10.513 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 548 -1.181 -11.376 1.183 1.00 0.00 H new ATOM 0 HB3 CYS A 548 -2.871 -11.172 0.763 1.00 0.00 H new ATOM 0 HG CYS A 548 -2.150 -13.873 0.214 1.00 0.00 H new ATOM 834 N SER A 549 -3.161 -8.498 -1.138 1.00 0.00 N ATOM 835 CA SER A 549 -4.318 -7.942 -1.831 1.00 0.00 C ATOM 836 C SER A 549 -3.892 -7.205 -3.100 1.00 0.00 C ATOM 837 O SER A 549 -4.714 -6.595 -3.783 1.00 0.00 O ATOM 838 CB SER A 549 -5.055 -6.973 -0.906 1.00 0.00 C ATOM 839 OG SER A 549 -5.733 -7.712 0.102 1.00 0.00 O ATOM 0 H SER A 549 -2.731 -7.867 -0.462 1.00 0.00 H new ATOM 0 HA SER A 549 -4.978 -8.764 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 549 -4.349 -6.278 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 549 -5.767 -6.377 -1.477 1.00 0.00 H new ATOM 0 HG SER A 549 -6.528 -8.136 -0.283 1.00 0.00 H new ATOM 845 N LEU A 550 -2.596 -7.276 -3.411 1.00 0.00 N ATOM 846 CA LEU A 550 -2.060 -6.620 -4.604 1.00 0.00 C ATOM 847 C LEU A 550 -2.196 -7.531 -5.821 1.00 0.00 C ATOM 848 O LEU A 550 -2.053 -8.748 -5.714 1.00 0.00 O ATOM 849 CB LEU A 550 -0.577 -6.287 -4.410 1.00 0.00 C ATOM 850 CG LEU A 550 -0.371 -5.456 -3.137 1.00 0.00 C ATOM 851 CD1 LEU A 550 1.124 -5.429 -2.787 1.00 0.00 C ATOM 852 CD2 LEU A 550 -0.866 -4.019 -3.356 1.00 0.00 C ATOM 0 H LEU A 550 -1.902 -7.778 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 550 -2.627 -5.703 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 550 0.003 -7.208 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 550 -0.207 -5.736 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 550 -0.937 -5.907 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 550 1.275 -4.839 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 550 1.477 -6.447 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 550 1.682 -4.982 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 550 -0.714 -3.439 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 550 -0.308 -3.563 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 550 -1.927 -4.034 -3.604 1.00 0.00 H new ATOM 864 N ASP A 551 -2.455 -6.932 -6.982 1.00 0.00 N ATOM 865 CA ASP A 551 -2.589 -7.697 -8.220 1.00 0.00 C ATOM 866 C ASP A 551 -1.226 -7.853 -8.881 1.00 0.00 C ATOM 867 O ASP A 551 -0.390 -6.955 -8.817 1.00 0.00 O ATOM 868 CB ASP A 551 -3.549 -6.988 -9.178 1.00 0.00 C ATOM 869 CG ASP A 551 -4.838 -6.626 -8.448 1.00 0.00 C ATOM 870 OD1 ASP A 551 -5.710 -7.475 -8.368 1.00 0.00 O ATOM 871 OD2 ASP A 551 -4.935 -5.503 -7.978 1.00 0.00 O ATOM 0 H ASP A 551 -2.576 -5.925 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 551 -2.990 -8.683 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 551 -3.081 -6.087 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 551 -3.771 -7.633 -10.028 1.00 0.00 H new ATOM 876 N LYS A 552 -1.004 -9.002 -9.507 1.00 0.00 N ATOM 877 CA LYS A 552 0.272 -9.268 -10.166 1.00 0.00 C ATOM 878 C LYS A 552 0.763 -8.029 -10.917 1.00 0.00 C ATOM 879 O LYS A 552 1.880 -7.562 -10.695 1.00 0.00 O ATOM 880 CB LYS A 552 0.129 -10.449 -11.139 1.00 0.00 C ATOM 881 CG LYS A 552 0.188 -11.775 -10.370 1.00 0.00 C ATOM 882 CD LYS A 552 -0.988 -11.859 -9.393 1.00 0.00 C ATOM 883 CE LYS A 552 -1.136 -13.299 -8.897 1.00 0.00 C ATOM 884 NZ LYS A 552 -2.028 -13.323 -7.702 1.00 0.00 N ATOM 0 H LYS A 552 -1.683 -9.760 -9.573 1.00 0.00 H new ATOM 0 HA LYS A 552 1.006 -9.522 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 552 -0.815 -10.374 -11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 552 0.925 -10.416 -11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 552 0.154 -12.612 -11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 552 1.130 -11.850 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 552 -0.823 -11.188 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 552 -1.906 -11.536 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 552 -1.550 -13.926 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 552 -0.159 -13.710 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 -2.129 -14.301 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 -1.615 -12.737 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 -2.963 -12.947 -7.959 1.00 0.00 H new ATOM 898 N THR A 553 -0.078 -7.501 -11.798 1.00 0.00 N ATOM 899 CA THR A 553 0.288 -6.317 -12.564 1.00 0.00 C ATOM 900 C THR A 553 0.430 -5.111 -11.644 1.00 0.00 C ATOM 901 O THR A 553 1.114 -4.145 -11.978 1.00 0.00 O ATOM 902 CB THR A 553 -0.767 -6.034 -13.626 1.00 0.00 C ATOM 903 OG1 THR A 553 -1.121 -7.246 -14.278 1.00 0.00 O ATOM 904 CG2 THR A 553 -0.217 -5.039 -14.653 1.00 0.00 C ATOM 0 H THR A 553 -1.008 -7.869 -11.998 1.00 0.00 H new ATOM 0 HA THR A 553 1.245 -6.502 -13.051 1.00 0.00 H new ATOM 0 HB THR A 553 -1.650 -5.606 -13.151 1.00 0.00 H new ATOM 0 HG1 THR A 553 -1.801 -7.064 -14.960 1.00 0.00 H new ATOM 0 HG21 THR A 553 -0.976 -4.841 -15.410 1.00 0.00 H new ATOM 0 HG22 THR A 553 0.048 -4.108 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 553 0.669 -5.460 -15.129 1.00 0.00 H new ATOM 912 N THR A 554 -0.216 -5.174 -10.482 1.00 0.00 N ATOM 913 CA THR A 554 -0.147 -4.078 -9.519 1.00 0.00 C ATOM 914 C THR A 554 1.079 -4.227 -8.627 1.00 0.00 C ATOM 915 O THR A 554 1.601 -3.240 -8.109 1.00 0.00 O ATOM 916 CB THR A 554 -1.408 -4.055 -8.650 1.00 0.00 C ATOM 917 OG1 THR A 554 -2.540 -3.786 -9.467 1.00 0.00 O ATOM 918 CG2 THR A 554 -1.278 -2.965 -7.581 1.00 0.00 C ATOM 0 H THR A 554 -0.788 -5.965 -10.186 1.00 0.00 H new ATOM 0 HA THR A 554 -0.073 -3.142 -10.073 1.00 0.00 H new ATOM 0 HB THR A 554 -1.530 -5.023 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 554 -3.348 -3.773 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 554 -2.177 -2.951 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 554 -0.411 -3.172 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.154 -1.995 -8.063 1.00 0.00 H new ATOM 926 N VAL A 555 1.545 -5.461 -8.459 1.00 0.00 N ATOM 927 CA VAL A 555 2.720 -5.709 -7.633 1.00 0.00 C ATOM 928 C VAL A 555 3.939 -5.049 -8.267 1.00 0.00 C ATOM 929 O VAL A 555 4.822 -4.545 -7.570 1.00 0.00 O ATOM 930 CB VAL A 555 2.950 -7.220 -7.487 1.00 0.00 C ATOM 931 CG1 VAL A 555 4.314 -7.483 -6.842 1.00 0.00 C ATOM 932 CG2 VAL A 555 1.852 -7.817 -6.603 1.00 0.00 C ATOM 0 H VAL A 555 1.133 -6.295 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 555 2.560 -5.284 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 555 2.924 -7.682 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 555 4.468 -8.557 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 555 5.100 -7.060 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 555 4.346 -7.019 -5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 555 2.013 -8.890 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 555 1.881 -7.347 -5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 555 0.879 -7.639 -7.061 1.00 0.00 H new ATOM 942 N ARG A 556 3.976 -5.058 -9.594 1.00 0.00 N ATOM 943 CA ARG A 556 5.082 -4.459 -10.326 1.00 0.00 C ATOM 944 C ARG A 556 5.154 -2.959 -10.055 1.00 0.00 C ATOM 945 O ARG A 556 6.234 -2.413 -9.828 1.00 0.00 O ATOM 946 CB ARG A 556 4.906 -4.713 -11.827 1.00 0.00 C ATOM 947 CG ARG A 556 5.226 -6.181 -12.154 1.00 0.00 C ATOM 948 CD ARG A 556 6.725 -6.478 -11.950 1.00 0.00 C ATOM 949 NE ARG A 556 6.957 -7.009 -10.612 1.00 0.00 N ATOM 950 CZ ARG A 556 6.676 -8.274 -10.316 1.00 0.00 C ATOM 951 NH1 ARG A 556 6.186 -9.067 -11.230 1.00 0.00 N ATOM 952 NH2 ARG A 556 6.889 -8.725 -9.110 1.00 0.00 N ATOM 0 H ARG A 556 3.254 -5.473 -10.183 1.00 0.00 H new ATOM 0 HA ARG A 556 6.013 -4.915 -9.990 1.00 0.00 H new ATOM 0 HB2 ARG A 556 3.884 -4.480 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 556 5.563 -4.054 -12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 556 4.632 -6.837 -11.518 1.00 0.00 H new ATOM 0 HG3 ARG A 556 4.946 -6.397 -13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 556 7.066 -7.194 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 556 7.306 -5.567 -12.093 1.00 0.00 H new ATOM 0 HE ARG A 556 7.342 -6.399 -9.891 1.00 0.00 H new ATOM 0 HH11 ARG A 556 6.018 -8.716 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 556 5.971 -10.037 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 556 7.271 -8.107 -8.394 1.00 0.00 H new ATOM 0 HH22 ARG A 556 6.673 -9.696 -8.883 1.00 0.00 H new ATOM 966 N LYS A 557 4.000 -2.299 -10.074 1.00 0.00 N ATOM 967 CA LYS A 557 3.951 -0.866 -9.823 1.00 0.00 C ATOM 968 C LYS A 557 4.193 -0.582 -8.344 1.00 0.00 C ATOM 969 O LYS A 557 4.705 0.475 -7.975 1.00 0.00 O ATOM 970 CB LYS A 557 2.584 -0.311 -10.249 1.00 0.00 C ATOM 971 CG LYS A 557 2.534 -0.150 -11.772 1.00 0.00 C ATOM 972 CD LYS A 557 3.007 -1.437 -12.454 1.00 0.00 C ATOM 973 CE LYS A 557 2.630 -1.401 -13.935 1.00 0.00 C ATOM 974 NZ LYS A 557 1.146 -1.432 -14.072 1.00 0.00 N ATOM 0 H LYS A 557 3.095 -2.731 -10.259 1.00 0.00 H new ATOM 0 HA LYS A 557 4.732 -0.377 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 557 1.791 -0.983 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.407 0.651 -9.768 1.00 0.00 H new ATOM 0 HG2 LYS A 557 1.517 0.085 -12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.164 0.685 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.086 -1.542 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 557 2.552 -2.303 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 557 3.030 -0.500 -14.401 1.00 0.00 H new ATOM 0 HE3 LYS A 557 3.071 -2.252 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 0.891 -1.856 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.738 -1.999 -13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 0.773 -0.463 -14.023 1.00 0.00 H new ATOM 988 N LEU A 558 3.814 -1.540 -7.503 1.00 0.00 N ATOM 989 CA LEU A 558 3.981 -1.402 -6.060 1.00 0.00 C ATOM 990 C LEU A 558 5.464 -1.429 -5.691 1.00 0.00 C ATOM 991 O LEU A 558 5.969 -0.528 -5.019 1.00 0.00 O ATOM 992 CB LEU A 558 3.239 -2.554 -5.350 1.00 0.00 C ATOM 993 CG LEU A 558 2.778 -2.144 -3.937 1.00 0.00 C ATOM 994 CD1 LEU A 558 3.948 -1.537 -3.154 1.00 0.00 C ATOM 995 CD2 LEU A 558 1.618 -1.130 -4.013 1.00 0.00 C ATOM 0 H LEU A 558 3.389 -2.420 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 558 3.564 -0.447 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 558 2.375 -2.852 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.894 -3.423 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 558 2.426 -3.037 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 558 3.610 -1.251 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 558 4.749 -2.272 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 558 4.318 -0.656 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 558 1.309 -0.855 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 558 1.948 -0.239 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.776 -1.579 -4.541 1.00 0.00 H new ATOM 1007 N GLN A 559 6.149 -2.480 -6.127 1.00 0.00 N ATOM 1008 CA GLN A 559 7.570 -2.641 -5.836 1.00 0.00 C ATOM 1009 C GLN A 559 8.401 -1.555 -6.517 1.00 0.00 C ATOM 1010 O GLN A 559 9.483 -1.206 -6.045 1.00 0.00 O ATOM 1011 CB GLN A 559 8.039 -4.018 -6.311 1.00 0.00 C ATOM 1012 CG GLN A 559 7.209 -5.107 -5.623 1.00 0.00 C ATOM 1013 CD GLN A 559 7.406 -6.441 -6.338 1.00 0.00 C ATOM 1014 OE1 GLN A 559 8.014 -6.490 -7.406 1.00 0.00 O ATOM 1015 NE2 GLN A 559 6.925 -7.533 -5.806 1.00 0.00 N ATOM 0 H GLN A 559 5.744 -3.233 -6.683 1.00 0.00 H new ATOM 0 HA GLN A 559 7.709 -2.552 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 559 7.935 -4.096 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 559 9.096 -4.153 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 559 7.506 -5.197 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 559 6.154 -4.832 -5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 559 6.421 -7.490 -4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 559 7.053 -8.429 -6.276 1.00 0.00 H new ATOM 1024 N SER A 560 7.896 -1.029 -7.628 1.00 0.00 N ATOM 1025 CA SER A 560 8.612 0.010 -8.363 1.00 0.00 C ATOM 1026 C SER A 560 8.680 1.305 -7.552 1.00 0.00 C ATOM 1027 O SER A 560 9.745 1.912 -7.436 1.00 0.00 O ATOM 1028 CB SER A 560 7.913 0.282 -9.695 1.00 0.00 C ATOM 1029 OG SER A 560 8.447 1.466 -10.273 1.00 0.00 O ATOM 0 H SER A 560 7.002 -1.301 -8.037 1.00 0.00 H new ATOM 0 HA SER A 560 9.627 -0.342 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 560 8.053 -0.561 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 560 6.840 0.391 -9.540 1.00 0.00 H new ATOM 0 HG SER A 560 8.002 1.642 -11.128 1.00 0.00 H new ATOM 1035 N TYR A 561 7.547 1.731 -7.008 1.00 0.00 N ATOM 1036 CA TYR A 561 7.509 2.966 -6.227 1.00 0.00 C ATOM 1037 C TYR A 561 8.646 3.005 -5.209 1.00 0.00 C ATOM 1038 O TYR A 561 8.969 4.064 -4.671 1.00 0.00 O ATOM 1039 CB TYR A 561 6.166 3.087 -5.485 1.00 0.00 C ATOM 1040 CG TYR A 561 5.086 3.584 -6.424 1.00 0.00 C ATOM 1041 CD1 TYR A 561 5.203 4.845 -7.023 1.00 0.00 C ATOM 1042 CD2 TYR A 561 3.965 2.786 -6.692 1.00 0.00 C ATOM 1043 CE1 TYR A 561 4.206 5.305 -7.886 1.00 0.00 C ATOM 1044 CE2 TYR A 561 2.967 3.249 -7.555 1.00 0.00 C ATOM 1045 CZ TYR A 561 3.088 4.510 -8.154 1.00 0.00 C ATOM 1046 OH TYR A 561 2.104 4.966 -9.008 1.00 0.00 O ATOM 0 H TYR A 561 6.652 1.249 -7.090 1.00 0.00 H new ATOM 0 HA TYR A 561 7.624 3.800 -6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 561 5.882 2.118 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 561 6.269 3.772 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 561 6.065 5.462 -6.817 1.00 0.00 H new ATOM 0 HD2 TYR A 561 3.872 1.813 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 561 4.299 6.277 -8.347 1.00 0.00 H new ATOM 0 HE2 TYR A 561 2.103 2.635 -7.760 1.00 0.00 H new ATOM 0 HH TYR A 561 1.530 4.218 -9.274 1.00 0.00 H new ATOM 1056 N LEU A 562 9.256 1.856 -4.949 1.00 0.00 N ATOM 1057 CA LEU A 562 10.355 1.793 -3.992 1.00 0.00 C ATOM 1058 C LEU A 562 11.664 2.236 -4.643 1.00 0.00 C ATOM 1059 O LEU A 562 12.286 3.207 -4.213 1.00 0.00 O ATOM 1060 CB LEU A 562 10.501 0.367 -3.458 1.00 0.00 C ATOM 1061 CG LEU A 562 9.116 -0.212 -3.160 1.00 0.00 C ATOM 1062 CD1 LEU A 562 9.269 -1.609 -2.556 1.00 0.00 C ATOM 1063 CD2 LEU A 562 8.381 0.696 -2.168 1.00 0.00 C ATOM 0 H LEU A 562 9.013 0.964 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 562 10.131 2.468 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 562 11.017 -0.255 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 562 11.109 0.367 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 562 8.543 -0.275 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 562 8.284 -2.023 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 562 9.790 -2.256 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 562 9.843 -1.545 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 562 7.395 0.282 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 562 8.953 0.761 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 562 8.272 1.692 -2.598 1.00 0.00 H new ATOM 1179 N LYS B 878 -1.328 -13.409 5.454 1.00 0.00 N ATOM 1180 CA LYS B 878 -1.684 -12.009 5.261 1.00 0.00 C ATOM 1181 C LYS B 878 -0.603 -11.118 5.860 1.00 0.00 C ATOM 1182 O LYS B 878 0.215 -11.568 6.662 1.00 0.00 O ATOM 1183 CB LYS B 878 -3.029 -11.710 5.926 1.00 0.00 C ATOM 1184 CG LYS B 878 -4.098 -12.642 5.352 1.00 0.00 C ATOM 1185 CD LYS B 878 -5.485 -12.159 5.784 1.00 0.00 C ATOM 1186 CE LYS B 878 -6.557 -12.997 5.084 1.00 0.00 C ATOM 1187 NZ LYS B 878 -6.113 -14.420 5.024 1.00 0.00 N ATOM 0 HA LYS B 878 -1.767 -11.808 4.193 1.00 0.00 H new ATOM 0 HB2 LYS B 878 -2.952 -11.847 7.005 1.00 0.00 H new ATOM 0 HB3 LYS B 878 -3.308 -10.670 5.756 1.00 0.00 H new ATOM 0 HG2 LYS B 878 -4.031 -12.662 4.264 1.00 0.00 H new ATOM 0 HG3 LYS B 878 -3.932 -13.661 5.701 1.00 0.00 H new ATOM 0 HD2 LYS B 878 -5.591 -12.243 6.866 1.00 0.00 H new ATOM 0 HD3 LYS B 878 -5.610 -11.106 5.533 1.00 0.00 H new ATOM 0 HE2 LYS B 878 -7.502 -12.922 5.622 1.00 0.00 H new ATOM 0 HE3 LYS B 878 -6.732 -12.616 4.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 878 -6.933 -15.032 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 878 -5.416 -14.534 4.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 878 -5.680 -14.687 5.931 1.00 0.00 H new ATOM 1201 N LEU B 879 -0.602 -9.856 5.452 1.00 0.00 N ATOM 1202 CA LEU B 879 0.382 -8.885 5.922 1.00 0.00 C ATOM 1203 C LEU B 879 -0.284 -7.511 6.056 1.00 0.00 C ATOM 1204 O LEU B 879 -0.338 -6.763 5.085 1.00 0.00 O ATOM 1205 CB LEU B 879 1.507 -8.782 4.883 1.00 0.00 C ATOM 1206 CG LEU B 879 2.460 -9.992 4.956 1.00 0.00 C ATOM 1207 CD1 LEU B 879 3.143 -10.187 3.594 1.00 0.00 C ATOM 1208 CD2 LEU B 879 3.534 -9.753 6.029 1.00 0.00 C ATOM 0 H LEU B 879 -1.278 -9.476 4.790 1.00 0.00 H new ATOM 0 HA LEU B 879 0.779 -9.201 6.887 1.00 0.00 H new ATOM 0 HB2 LEU B 879 1.076 -8.718 3.884 1.00 0.00 H new ATOM 0 HB3 LEU B 879 2.071 -7.864 5.046 1.00 0.00 H new ATOM 0 HG LEU B 879 1.885 -10.882 5.214 1.00 0.00 H new ATOM 0 HD11 LEU B 879 3.817 -11.042 3.644 1.00 0.00 H new ATOM 0 HD12 LEU B 879 2.386 -10.366 2.830 1.00 0.00 H new ATOM 0 HD13 LEU B 879 3.711 -9.292 3.340 1.00 0.00 H new ATOM 0 HD21 LEU B 879 4.202 -10.613 6.073 1.00 0.00 H new ATOM 0 HD22 LEU B 879 4.107 -8.861 5.778 1.00 0.00 H new ATOM 0 HD23 LEU B 879 3.055 -9.616 6.999 1.00 0.00 H new ATOM 1220 N PRO B 880 -0.802 -7.159 7.204 1.00 0.00 N ATOM 1221 CA PRO B 880 -1.476 -5.842 7.382 1.00 0.00 C ATOM 1222 C PRO B 880 -0.478 -4.697 7.607 1.00 0.00 C ATOM 1223 O PRO B 880 0.558 -4.878 8.247 1.00 0.00 O ATOM 1224 CB PRO B 880 -2.358 -6.072 8.613 1.00 0.00 C ATOM 1225 CG PRO B 880 -1.611 -7.079 9.436 1.00 0.00 C ATOM 1226 CD PRO B 880 -0.815 -7.950 8.449 1.00 0.00 C ATOM 0 HA PRO B 880 -2.036 -5.535 6.498 1.00 0.00 H new ATOM 0 HB2 PRO B 880 -2.514 -5.146 9.167 1.00 0.00 H new ATOM 0 HB3 PRO B 880 -3.343 -6.444 8.330 1.00 0.00 H new ATOM 0 HG2 PRO B 880 -0.944 -6.584 10.142 1.00 0.00 H new ATOM 0 HG3 PRO B 880 -2.299 -7.688 10.022 1.00 0.00 H new ATOM 0 HD2 PRO B 880 0.195 -8.141 8.811 1.00 0.00 H new ATOM 0 HD3 PRO B 880 -1.289 -8.920 8.301 1.00 0.00 H new ATOM 1234 N VAL B 881 -0.817 -3.516 7.082 1.00 0.00 N ATOM 1235 CA VAL B 881 0.033 -2.326 7.228 1.00 0.00 C ATOM 1236 C VAL B 881 -0.810 -1.106 7.564 1.00 0.00 C ATOM 1237 O VAL B 881 -1.522 -0.579 6.712 1.00 0.00 O ATOM 1238 CB VAL B 881 0.790 -2.049 5.933 1.00 0.00 C ATOM 1239 CG1 VAL B 881 1.688 -0.823 6.115 1.00 0.00 C ATOM 1240 CG2 VAL B 881 1.642 -3.258 5.579 1.00 0.00 C ATOM 0 H VAL B 881 -1.674 -3.356 6.552 1.00 0.00 H new ATOM 0 HA VAL B 881 0.739 -2.519 8.035 1.00 0.00 H new ATOM 0 HB VAL B 881 0.079 -1.857 5.130 1.00 0.00 H new ATOM 0 HG11 VAL B 881 2.228 -0.627 5.189 1.00 0.00 H new ATOM 0 HG12 VAL B 881 1.075 0.042 6.368 1.00 0.00 H new ATOM 0 HG13 VAL B 881 2.401 -1.010 6.918 1.00 0.00 H new ATOM 0 HG21 VAL B 881 2.184 -3.063 4.654 1.00 0.00 H new ATOM 0 HG22 VAL B 881 2.353 -3.450 6.383 1.00 0.00 H new ATOM 0 HG23 VAL B 881 1.000 -4.129 5.447 1.00 0.00 H new ATOM 1250 N SER B 882 -0.713 -0.659 8.810 1.00 0.00 N ATOM 1251 CA SER B 882 -1.466 0.506 9.267 1.00 0.00 C ATOM 1252 C SER B 882 -0.621 1.776 9.180 1.00 0.00 C ATOM 1253 O SER B 882 0.494 1.819 9.700 1.00 0.00 O ATOM 1254 CB SER B 882 -1.912 0.296 10.715 1.00 0.00 C ATOM 1255 OG SER B 882 -0.777 0.367 11.568 1.00 0.00 O ATOM 0 H SER B 882 -0.121 -1.084 9.523 1.00 0.00 H new ATOM 0 HA SER B 882 -2.336 0.622 8.621 1.00 0.00 H new ATOM 0 HB2 SER B 882 -2.642 1.055 10.997 1.00 0.00 H new ATOM 0 HB3 SER B 882 -2.401 -0.672 10.821 1.00 0.00 H new ATOM 0 HG SER B 882 0.002 0.664 11.052 1.00 0.00 H new ATOM 1261 N ILE B 883 -1.153 2.814 8.528 1.00 0.00 N ATOM 1262 CA ILE B 883 -0.433 4.088 8.387 1.00 0.00 C ATOM 1263 C ILE B 883 -1.290 5.239 8.933 1.00 0.00 C ATOM 1264 O ILE B 883 -2.327 5.556 8.349 1.00 0.00 O ATOM 1265 CB ILE B 883 -0.144 4.365 6.908 1.00 0.00 C ATOM 1266 CG1 ILE B 883 0.475 3.126 6.254 1.00 0.00 C ATOM 1267 CG2 ILE B 883 0.831 5.541 6.792 1.00 0.00 C ATOM 1268 CD1 ILE B 883 0.886 3.459 4.815 1.00 0.00 C ATOM 0 H ILE B 883 -2.074 2.800 8.091 1.00 0.00 H new ATOM 0 HA ILE B 883 0.501 4.019 8.945 1.00 0.00 H new ATOM 0 HB ILE B 883 -1.078 4.608 6.401 1.00 0.00 H new ATOM 0 HG12 ILE B 883 1.343 2.796 6.824 1.00 0.00 H new ATOM 0 HG13 ILE B 883 -0.240 2.304 6.258 1.00 0.00 H new ATOM 0 HG21 ILE B 883 1.038 5.740 5.740 1.00 0.00 H new ATOM 0 HG22 ILE B 883 0.389 6.427 7.248 1.00 0.00 H new ATOM 0 HG23 ILE B 883 1.761 5.295 7.304 1.00 0.00 H new ATOM 0 HD11 ILE B 883 1.327 2.578 4.349 1.00 0.00 H new ATOM 0 HD12 ILE B 883 0.008 3.768 4.248 1.00 0.00 H new ATOM 0 HD13 ILE B 883 1.616 4.268 4.823 1.00 0.00 H new ATOM 1280 N PRO B 884 -0.903 5.881 10.015 1.00 0.00 N ATOM 1281 CA PRO B 884 -1.694 7.014 10.577 1.00 0.00 C ATOM 1282 C PRO B 884 -2.176 7.970 9.486 1.00 0.00 C ATOM 1283 O PRO B 884 -1.380 8.482 8.698 1.00 0.00 O ATOM 1284 CB PRO B 884 -0.708 7.699 11.527 1.00 0.00 C ATOM 1285 CG PRO B 884 0.187 6.598 11.997 1.00 0.00 C ATOM 1286 CD PRO B 884 0.307 5.619 10.823 1.00 0.00 C ATOM 0 HA PRO B 884 -2.605 6.682 11.075 1.00 0.00 H new ATOM 0 HB2 PRO B 884 -0.143 8.479 11.017 1.00 0.00 H new ATOM 0 HB3 PRO B 884 -1.225 8.173 12.361 1.00 0.00 H new ATOM 0 HG2 PRO B 884 1.165 6.986 12.283 1.00 0.00 H new ATOM 0 HG3 PRO B 884 -0.230 6.105 12.875 1.00 0.00 H new ATOM 0 HD2 PRO B 884 1.217 5.794 10.248 1.00 0.00 H new ATOM 0 HD3 PRO B 884 0.341 4.585 11.167 1.00 0.00 H new ATOM 1294 N LEU B 885 -3.485 8.194 9.439 1.00 0.00 N ATOM 1295 CA LEU B 885 -4.071 9.075 8.436 1.00 0.00 C ATOM 1296 C LEU B 885 -3.431 10.455 8.484 1.00 0.00 C ATOM 1297 O LEU B 885 -3.603 11.260 7.568 1.00 0.00 O ATOM 1298 CB LEU B 885 -5.582 9.213 8.656 1.00 0.00 C ATOM 1299 CG LEU B 885 -6.244 7.833 8.742 1.00 0.00 C ATOM 1300 CD1 LEU B 885 -7.763 8.010 8.799 1.00 0.00 C ATOM 1301 CD2 LEU B 885 -5.874 6.989 7.511 1.00 0.00 C ATOM 0 H LEU B 885 -4.159 7.779 10.082 1.00 0.00 H new ATOM 0 HA LEU B 885 -3.886 8.630 7.458 1.00 0.00 H new ATOM 0 HB2 LEU B 885 -5.772 9.771 9.573 1.00 0.00 H new ATOM 0 HB3 LEU B 885 -6.023 9.783 7.839 1.00 0.00 H new ATOM 0 HG LEU B 885 -5.894 7.322 9.639 1.00 0.00 H new ATOM 0 HD11 LEU B 885 -8.241 7.032 8.860 1.00 0.00 H new ATOM 0 HD12 LEU B 885 -8.028 8.599 9.677 1.00 0.00 H new ATOM 0 HD13 LEU B 885 -8.103 8.525 7.900 1.00 0.00 H new ATOM 0 HD21 LEU B 885 -6.350 6.011 7.584 1.00 0.00 H new ATOM 0 HD22 LEU B 885 -6.217 7.493 6.608 1.00 0.00 H new ATOM 0 HD23 LEU B 885 -4.792 6.863 7.468 1.00 0.00 H new ATOM 1313 N ALA B 886 -2.679 10.720 9.545 1.00 0.00 N ATOM 1314 CA ALA B 886 -2.005 12.002 9.683 1.00 0.00 C ATOM 1315 C ALA B 886 -0.758 12.032 8.803 1.00 0.00 C ATOM 1316 O ALA B 886 -0.262 13.103 8.449 1.00 0.00 O ATOM 1317 CB ALA B 886 -1.619 12.217 11.147 1.00 0.00 C ATOM 0 H ALA B 886 -2.522 10.070 10.315 1.00 0.00 H new ATOM 0 HA ALA B 886 -2.676 12.800 9.366 1.00 0.00 H new ATOM 0 HB1 ALA B 886 -1.114 13.177 11.253 1.00 0.00 H new ATOM 0 HB2 ALA B 886 -2.517 12.209 11.765 1.00 0.00 H new ATOM 0 HB3 ALA B 886 -0.951 11.418 11.468 1.00 0.00 H new ATOM 1323 N SER B 887 -0.247 10.849 8.469 1.00 0.00 N ATOM 1324 CA SER B 887 0.957 10.744 7.646 1.00 0.00 C ATOM 1325 C SER B 887 0.619 10.764 6.159 1.00 0.00 C ATOM 1326 O SER B 887 1.483 11.026 5.323 1.00 0.00 O ATOM 1327 CB SER B 887 1.695 9.446 7.978 1.00 0.00 C ATOM 1328 OG SER B 887 2.847 9.339 7.150 1.00 0.00 O ATOM 0 H SER B 887 -0.645 9.954 8.753 1.00 0.00 H new ATOM 0 HA SER B 887 1.590 11.604 7.866 1.00 0.00 H new ATOM 0 HB2 SER B 887 1.985 9.437 9.029 1.00 0.00 H new ATOM 0 HB3 SER B 887 1.039 8.590 7.821 1.00 0.00 H new ATOM 0 HG SER B 887 2.765 9.958 6.394 1.00 0.00 H new ATOM 1334 N VAL B 888 -0.642 10.478 5.833 1.00 0.00 N ATOM 1335 CA VAL B 888 -1.087 10.460 4.443 1.00 0.00 C ATOM 1336 C VAL B 888 -2.416 11.189 4.307 1.00 0.00 C ATOM 1337 O VAL B 888 -2.890 11.826 5.248 1.00 0.00 O ATOM 1338 CB VAL B 888 -1.245 9.011 3.966 1.00 0.00 C ATOM 1339 CG1 VAL B 888 0.136 8.398 3.727 1.00 0.00 C ATOM 1340 CG2 VAL B 888 -1.981 8.202 5.037 1.00 0.00 C ATOM 0 H VAL B 888 -1.370 10.256 6.512 1.00 0.00 H new ATOM 0 HA VAL B 888 -0.340 10.964 3.829 1.00 0.00 H new ATOM 0 HB VAL B 888 -1.816 8.994 3.037 1.00 0.00 H new ATOM 0 HG11 VAL B 888 0.023 7.368 3.388 1.00 0.00 H new ATOM 0 HG12 VAL B 888 0.663 8.975 2.967 1.00 0.00 H new ATOM 0 HG13 VAL B 888 0.707 8.414 4.655 1.00 0.00 H new ATOM 0 HG21 VAL B 888 -2.095 7.172 4.700 1.00 0.00 H new ATOM 0 HG22 VAL B 888 -1.408 8.220 5.964 1.00 0.00 H new ATOM 0 HG23 VAL B 888 -2.965 8.638 5.210 1.00 0.00 H new ATOM 1350 N VAL B 889 -3.015 11.074 3.129 1.00 0.00 N ATOM 1351 CA VAL B 889 -4.303 11.705 2.853 1.00 0.00 C ATOM 1352 C VAL B 889 -5.163 10.768 2.015 1.00 0.00 C ATOM 1353 O VAL B 889 -4.897 10.557 0.831 1.00 0.00 O ATOM 1354 CB VAL B 889 -4.085 13.023 2.110 1.00 0.00 C ATOM 1355 CG1 VAL B 889 -5.345 13.887 2.205 1.00 0.00 C ATOM 1356 CG2 VAL B 889 -2.904 13.766 2.742 1.00 0.00 C ATOM 0 H VAL B 889 -2.629 10.548 2.345 1.00 0.00 H new ATOM 0 HA VAL B 889 -4.814 11.910 3.794 1.00 0.00 H new ATOM 0 HB VAL B 889 -3.872 12.818 1.061 1.00 0.00 H new ATOM 0 HG11 VAL B 889 -5.184 14.825 1.674 1.00 0.00 H new ATOM 0 HG12 VAL B 889 -6.185 13.356 1.757 1.00 0.00 H new ATOM 0 HG13 VAL B 889 -5.565 14.096 3.252 1.00 0.00 H new ATOM 0 HG21 VAL B 889 -2.743 14.707 2.216 1.00 0.00 H new ATOM 0 HG22 VAL B 889 -3.121 13.968 3.791 1.00 0.00 H new ATOM 0 HG23 VAL B 889 -2.007 13.152 2.669 1.00 0.00 H new ATOM 1366 N LEU B 890 -6.195 10.206 2.637 1.00 0.00 N ATOM 1367 CA LEU B 890 -7.096 9.287 1.944 1.00 0.00 C ATOM 1368 C LEU B 890 -8.265 10.066 1.316 1.00 0.00 C ATOM 1369 O LEU B 890 -8.900 10.872 1.996 1.00 0.00 O ATOM 1370 CB LEU B 890 -7.644 8.253 2.944 1.00 0.00 C ATOM 1371 CG LEU B 890 -6.639 7.099 3.141 1.00 0.00 C ATOM 1372 CD1 LEU B 890 -6.568 6.215 1.880 1.00 0.00 C ATOM 1373 CD2 LEU B 890 -5.251 7.675 3.450 1.00 0.00 C ATOM 0 H LEU B 890 -6.429 10.369 3.616 1.00 0.00 H new ATOM 0 HA LEU B 890 -6.545 8.776 1.154 1.00 0.00 H new ATOM 0 HB2 LEU B 890 -7.844 8.735 3.901 1.00 0.00 H new ATOM 0 HB3 LEU B 890 -8.593 7.858 2.582 1.00 0.00 H new ATOM 0 HG LEU B 890 -6.975 6.483 3.975 1.00 0.00 H new ATOM 0 HD11 LEU B 890 -5.853 5.408 2.041 1.00 0.00 H new ATOM 0 HD12 LEU B 890 -7.552 5.793 1.676 1.00 0.00 H new ATOM 0 HD13 LEU B 890 -6.248 6.818 1.030 1.00 0.00 H new ATOM 0 HD21 LEU B 890 -4.541 6.859 3.589 1.00 0.00 H new ATOM 0 HD22 LEU B 890 -4.925 8.303 2.621 1.00 0.00 H new ATOM 0 HD23 LEU B 890 -5.300 8.273 4.360 1.00 0.00 H new