USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 62 ASN : amide:sc= 0.951 K(o=1.2,f=-0.58) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.259 K(o=1.2,f=-0.94) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.959 K(o=2.2,f=-0.47) USER MOD Set 2.2: A 56 ASN : amide:sc= 1.24 K(o=2.2,f=-0.14) USER MOD Set 3.1: A 40 SER OG : rot 98:sc= 1.38 USER MOD Set 3.2: A 52 ASN : amide:sc= 2.4 K(o=3.8,f=-5.9!) USER MOD Set 4.1: A 19 THR OG1 : rot -105:sc= 0.908 USER MOD Set 4.2: A 31 ASN : amide:sc= 1.46 K(o=2.4,f=-7.3!) USER MOD Single : A 2 SER OG : rot 123:sc= 1.42 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A -2 LYS NZ :NH3+ -167:sc= -0.12 (180deg=-0.364) USER MOD Single : A -5 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= 0.612 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0693 K(o=-0.069,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.919) USER MOD Single : A 33 HIS : no HE2:sc= -0.215 K(o=-0.21,f=-2) USER MOD Single : A 42 GLN : amide:sc= 1.41 K(o=1.4,f=-4.4!) USER MOD Single : A 46 TYR OH : rot -167:sc= 1.29 USER MOD Single : A 47 SER OG : rot 54:sc= 0.372 USER MOD Single : A 48 TYR OH : rot 15:sc= 2.18 USER MOD Single : A 49 THR OG1 : rot 172:sc= 2.05 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0.975 (180deg=0.915) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0.349 (180deg=0.349) USER MOD Single : A 64 MET CE :methyl -178:sc= -0.453 (180deg=-0.47) USER MOD Single : A 65 SER OG : rot 176:sc= -1.18 USER MOD Single : A 67 TYR OH : rot -127:sc= 0.482 USER MOD Single : A 69 THR OG1 : rot 115:sc= 0.565 USER MOD Single : A 70 ASN : amide:sc= 1.06 K(o=1.1,f=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00167) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.114 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.548 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.0174 (180deg=-0.21) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= 1.02 (180deg=-1.16!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1 K(o=1,f=-7.3!) USER MOD Single : A 96 THR OG1 : rot 79:sc= 1.76 USER MOD Single : A 97 TYR OH : rot 172:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 1.1 (180deg=1.07) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0468) USER MOD Single : A 102 SER OG : rot -130:sc= 0.588 USER MOD Single : A 104 HEM CMA :methyl 150:sc= -0.388 (180deg=-0.388) USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.833 (180deg=-0.833) USER MOD Single : A 104 HEM CMC :methyl 150:sc= -0.2 (180deg=-0.2) USER MOD Single : A 104 HEM CMD :methyl -30:sc= -0.48 (180deg=-2.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 2.924 -9.438 -19.131 1.00 0.00 N ATOM 2 CA THR A -5 3.062 -10.031 -17.797 1.00 0.00 C ATOM 3 C THR A -5 3.037 -8.922 -16.757 1.00 0.00 C ATOM 4 O THR A -5 2.282 -9.057 -15.796 1.00 0.00 O ATOM 5 CB THR A -5 4.352 -10.861 -17.795 1.00 0.00 C ATOM 6 OG1 THR A -5 3.995 -12.094 -18.399 1.00 0.00 O ATOM 7 CG2 THR A -5 4.895 -11.168 -16.393 1.00 0.00 C ATOM 0 H1 THR A -5 2.940 -10.190 -19.849 1.00 0.00 H new ATOM 0 H2 THR A -5 2.023 -8.922 -19.190 1.00 0.00 H new ATOM 0 H3 THR A -5 3.711 -8.780 -19.302 1.00 0.00 H new ATOM 0 HA THR A -5 2.239 -10.699 -17.544 1.00 0.00 H new ATOM 0 HB THR A -5 5.134 -10.302 -18.310 1.00 0.00 H new ATOM 0 HG1 THR A -5 4.779 -12.681 -18.434 1.00 0.00 H new ATOM 0 HG21 THR A -5 5.808 -11.758 -16.477 1.00 0.00 H new ATOM 0 HG22 THR A -5 5.113 -10.234 -15.875 1.00 0.00 H new ATOM 0 HG23 THR A -5 4.150 -11.730 -15.830 1.00 0.00 H new ATOM 8 N GLU A -4 3.836 -7.868 -16.926 1.00 0.00 N ATOM 9 CA GLU A -4 3.820 -6.737 -16.018 1.00 0.00 C ATOM 10 C GLU A -4 2.487 -5.986 -16.130 1.00 0.00 C ATOM 11 O GLU A -4 1.861 -5.981 -17.192 1.00 0.00 O ATOM 12 CB GLU A -4 5.009 -5.820 -16.340 1.00 0.00 C ATOM 13 CG GLU A -4 4.873 -5.149 -17.714 1.00 0.00 C ATOM 14 CD GLU A -4 6.105 -4.328 -18.048 1.00 0.00 C ATOM 15 OE1 GLU A -4 7.083 -4.951 -18.509 1.00 0.00 O ATOM 16 OE2 GLU A -4 6.033 -3.099 -17.826 1.00 0.00 O ATOM 0 H GLU A -4 4.505 -7.781 -17.691 1.00 0.00 H new ATOM 0 HA GLU A -4 3.915 -7.084 -14.989 1.00 0.00 H new ATOM 0 HB2 GLU A -4 5.092 -5.053 -15.570 1.00 0.00 H new ATOM 0 HB3 GLU A -4 5.931 -6.401 -16.312 1.00 0.00 H new ATOM 0 HG2 GLU A -4 4.721 -5.910 -18.480 1.00 0.00 H new ATOM 0 HG3 GLU A -4 3.992 -4.507 -17.723 1.00 0.00 H new ATOM 17 N PHE A -3 2.079 -5.307 -15.057 1.00 0.00 N ATOM 18 CA PHE A -3 1.037 -4.297 -15.155 1.00 0.00 C ATOM 19 C PHE A -3 1.605 -3.104 -15.918 1.00 0.00 C ATOM 20 O PHE A -3 2.547 -2.459 -15.443 1.00 0.00 O ATOM 21 CB PHE A -3 0.564 -3.869 -13.765 1.00 0.00 C ATOM 22 CG PHE A -3 -0.294 -2.611 -13.754 1.00 0.00 C ATOM 23 CD1 PHE A -3 0.307 -1.363 -13.502 1.00 0.00 C ATOM 24 CD2 PHE A -3 -1.698 -2.714 -13.752 1.00 0.00 C ATOM 25 CE1 PHE A -3 -0.480 -0.257 -13.144 1.00 0.00 C ATOM 26 CE2 PHE A -3 -2.489 -1.585 -13.474 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.880 -0.359 -13.157 1.00 0.00 C ATOM 0 H PHE A -3 2.454 -5.440 -14.118 1.00 0.00 H new ATOM 0 HA PHE A -3 0.174 -4.704 -15.682 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -0.004 -4.686 -13.320 1.00 0.00 H new ATOM 0 HB3 PHE A -3 1.436 -3.705 -13.132 1.00 0.00 H new ATOM 0 HD1 PHE A -3 1.379 -1.256 -13.584 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -2.169 -3.662 -13.965 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.009 0.672 -12.859 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -3.566 -1.660 -13.504 1.00 0.00 H new ATOM 0 HZ PHE A -3 -2.488 0.503 -12.924 1.00 0.00 H new ATOM 28 N LYS A -2 1.026 -2.810 -17.081 1.00 0.00 N ATOM 29 CA LYS A -2 1.274 -1.591 -17.827 1.00 0.00 C ATOM 30 C LYS A -2 0.222 -0.576 -17.376 1.00 0.00 C ATOM 31 O LYS A -2 -0.963 -0.895 -17.321 1.00 0.00 O ATOM 32 CB LYS A -2 1.224 -1.882 -19.332 1.00 0.00 C ATOM 33 CG LYS A -2 2.278 -2.945 -19.695 1.00 0.00 C ATOM 34 CD LYS A -2 2.352 -3.249 -21.199 1.00 0.00 C ATOM 35 CE LYS A -2 3.378 -2.391 -21.956 1.00 0.00 C ATOM 36 NZ LYS A -2 3.073 -0.948 -21.901 1.00 0.00 N ATOM 0 H LYS A -2 0.357 -3.431 -17.536 1.00 0.00 H new ATOM 0 HA LYS A -2 2.266 -1.183 -17.635 1.00 0.00 H new ATOM 0 HB2 LYS A -2 0.230 -2.232 -19.611 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.409 -0.967 -19.895 1.00 0.00 H new ATOM 0 HG2 LYS A -2 3.256 -2.607 -19.353 1.00 0.00 H new ATOM 0 HG3 LYS A -2 2.053 -3.866 -19.157 1.00 0.00 H new ATOM 0 HD2 LYS A -2 2.601 -4.301 -21.336 1.00 0.00 H new ATOM 0 HD3 LYS A -2 1.367 -3.095 -21.640 1.00 0.00 H new ATOM 0 HE2 LYS A -2 4.369 -2.564 -21.536 1.00 0.00 H new ATOM 0 HE3 LYS A -2 3.413 -2.710 -22.998 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 3.657 -0.443 -22.598 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 2.067 -0.797 -22.118 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.280 -0.585 -20.948 1.00 0.00 H new ATOM 37 N ALA A -1 0.676 0.613 -16.979 1.00 0.00 N ATOM 38 CA ALA A -1 -0.111 1.535 -16.173 1.00 0.00 C ATOM 39 C ALA A -1 -1.066 2.396 -16.999 1.00 0.00 C ATOM 40 O ALA A -1 -0.969 2.440 -18.225 1.00 0.00 O ATOM 41 CB ALA A -1 0.850 2.401 -15.352 1.00 0.00 C ATOM 0 H ALA A -1 1.606 0.962 -17.211 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.752 0.950 -15.514 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.278 3.099 -14.741 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.453 1.763 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A -1 1.503 2.958 -16.024 1.00 0.00 H new ATOM 42 N GLY A 1 -1.969 3.095 -16.304 1.00 0.00 N ATOM 43 CA GLY A 1 -2.906 4.041 -16.888 1.00 0.00 C ATOM 44 C GLY A 1 -2.446 5.474 -16.624 1.00 0.00 C ATOM 45 O GLY A 1 -1.322 5.849 -16.955 1.00 0.00 O ATOM 0 H GLY A 1 -2.065 3.011 -15.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.985 3.869 -17.961 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.899 3.887 -16.466 1.00 0.00 H new ATOM 46 N SER A 2 -3.314 6.277 -16.014 1.00 0.00 N ATOM 47 CA SER A 2 -3.093 7.680 -15.715 1.00 0.00 C ATOM 48 C SER A 2 -2.214 7.860 -14.468 1.00 0.00 C ATOM 49 O SER A 2 -2.532 7.343 -13.401 1.00 0.00 O ATOM 50 CB SER A 2 -4.470 8.348 -15.548 1.00 0.00 C ATOM 51 OG SER A 2 -5.520 7.394 -15.594 1.00 0.00 O ATOM 0 H SER A 2 -4.228 5.949 -15.703 1.00 0.00 H new ATOM 0 HA SER A 2 -2.550 8.155 -16.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.504 8.882 -14.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.615 9.088 -16.335 1.00 0.00 H new ATOM 0 HG SER A 2 -6.053 7.455 -14.774 1.00 0.00 H new ATOM 52 N ALA A 3 -1.111 8.610 -14.596 1.00 0.00 N ATOM 53 CA ALA A 3 -0.270 8.997 -13.463 1.00 0.00 C ATOM 54 C ALA A 3 -0.982 10.043 -12.602 1.00 0.00 C ATOM 55 O ALA A 3 -1.090 9.901 -11.385 1.00 0.00 O ATOM 56 CB ALA A 3 1.072 9.528 -13.974 1.00 0.00 C ATOM 0 H ALA A 3 -0.779 8.965 -15.493 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.083 8.122 -12.840 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.696 9.815 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.576 8.751 -14.549 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.901 10.397 -14.610 1.00 0.00 H new ATOM 57 N LYS A 4 -1.471 11.109 -13.244 1.00 0.00 N ATOM 58 CA LYS A 4 -2.376 12.044 -12.588 1.00 0.00 C ATOM 59 C LYS A 4 -3.675 11.319 -12.221 1.00 0.00 C ATOM 60 O LYS A 4 -3.896 10.200 -12.669 1.00 0.00 O ATOM 61 CB LYS A 4 -2.634 13.275 -13.472 1.00 0.00 C ATOM 62 CG LYS A 4 -3.187 12.932 -14.867 1.00 0.00 C ATOM 63 CD LYS A 4 -3.600 14.191 -15.646 1.00 0.00 C ATOM 64 CE LYS A 4 -4.945 14.760 -15.162 1.00 0.00 C ATOM 65 NZ LYS A 4 -5.344 15.969 -15.916 1.00 0.00 N ATOM 0 H LYS A 4 -1.253 11.341 -14.213 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.915 12.411 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.338 13.934 -12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.703 13.830 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.432 12.387 -15.433 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.047 12.271 -14.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.827 14.952 -15.540 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.669 13.953 -16.707 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.718 13.998 -15.265 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.875 15.002 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.255 16.318 -15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.620 16.706 -15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.437 15.734 -16.925 1.00 0.00 H new ATOM 66 N LYS A 5 -4.524 11.948 -11.402 1.00 0.00 N ATOM 67 CA LYS A 5 -5.773 11.401 -10.868 1.00 0.00 C ATOM 68 C LYS A 5 -5.466 10.373 -9.778 1.00 0.00 C ATOM 69 O LYS A 5 -5.944 10.503 -8.652 1.00 0.00 O ATOM 70 CB LYS A 5 -6.700 10.862 -11.974 1.00 0.00 C ATOM 71 CG LYS A 5 -8.030 10.345 -11.410 1.00 0.00 C ATOM 72 CD LYS A 5 -8.925 9.774 -12.517 1.00 0.00 C ATOM 73 CE LYS A 5 -9.610 10.859 -13.356 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.465 10.258 -14.399 1.00 0.00 N ATOM 0 H LYS A 5 -4.349 12.899 -11.078 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.337 12.211 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.897 11.652 -12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.196 10.057 -12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.835 9.574 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.551 11.156 -10.902 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.325 9.142 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.686 9.136 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.212 11.498 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.856 11.495 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.918 11.012 -14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.883 9.668 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.197 9.670 -13.952 1.00 0.00 H new ATOM 75 N GLY A 6 -4.619 9.393 -10.086 1.00 0.00 N ATOM 76 CA GLY A 6 -4.111 8.445 -9.107 1.00 0.00 C ATOM 77 C GLY A 6 -3.540 9.168 -7.885 1.00 0.00 C ATOM 78 O GLY A 6 -3.761 8.755 -6.749 1.00 0.00 O ATOM 0 H GLY A 6 -4.266 9.237 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.912 7.775 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.337 7.827 -9.562 1.00 0.00 H new ATOM 79 N ALA A 7 -2.853 10.290 -8.122 1.00 0.00 N ATOM 80 CA ALA A 7 -2.382 11.183 -7.075 1.00 0.00 C ATOM 81 C ALA A 7 -3.539 11.635 -6.182 1.00 0.00 C ATOM 82 O ALA A 7 -3.457 11.557 -4.960 1.00 0.00 O ATOM 83 CB ALA A 7 -1.688 12.391 -7.709 1.00 0.00 C ATOM 0 H ALA A 7 -2.608 10.602 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.669 10.647 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.335 13.061 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.841 12.052 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.393 12.922 -8.349 1.00 0.00 H new ATOM 84 N THR A 8 -4.623 12.119 -6.786 1.00 0.00 N ATOM 85 CA THR A 8 -5.786 12.627 -6.081 1.00 0.00 C ATOM 86 C THR A 8 -6.440 11.507 -5.271 1.00 0.00 C ATOM 87 O THR A 8 -6.852 11.706 -4.126 1.00 0.00 O ATOM 88 CB THR A 8 -6.747 13.213 -7.124 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.011 13.976 -8.064 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.816 14.095 -6.474 1.00 0.00 C ATOM 0 H THR A 8 -4.714 12.167 -7.801 1.00 0.00 H new ATOM 0 HA THR A 8 -5.504 13.407 -5.373 1.00 0.00 H new ATOM 0 HB THR A 8 -7.252 12.385 -7.622 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.622 14.350 -8.732 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.478 14.492 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.396 13.502 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.336 14.920 -5.947 1.00 0.00 H new ATOM 91 N LEU A 9 -6.526 10.311 -5.855 1.00 0.00 N ATOM 92 CA LEU A 9 -7.048 9.147 -5.181 1.00 0.00 C ATOM 93 C LEU A 9 -6.178 8.873 -3.956 1.00 0.00 C ATOM 94 O LEU A 9 -6.685 8.897 -2.839 1.00 0.00 O ATOM 95 CB LEU A 9 -7.085 7.976 -6.168 1.00 0.00 C ATOM 96 CG LEU A 9 -8.449 7.732 -6.841 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.530 7.297 -5.843 1.00 0.00 C ATOM 98 CD2 LEU A 9 -8.926 8.954 -7.632 1.00 0.00 C ATOM 0 H LEU A 9 -6.231 10.134 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.069 9.301 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.340 8.152 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.789 7.068 -5.642 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.289 6.910 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.470 7.139 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.226 6.369 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.663 8.073 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.891 8.737 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.026 9.806 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.200 9.189 -8.410 1.00 0.00 H new ATOM 99 N PHE A 10 -4.868 8.692 -4.147 1.00 0.00 N ATOM 100 CA PHE A 10 -3.922 8.503 -3.052 1.00 0.00 C ATOM 101 C PHE A 10 -4.169 9.539 -1.954 1.00 0.00 C ATOM 102 O PHE A 10 -4.368 9.187 -0.790 1.00 0.00 O ATOM 103 CB PHE A 10 -2.481 8.582 -3.573 1.00 0.00 C ATOM 104 CG PHE A 10 -1.429 8.386 -2.499 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.017 7.087 -2.152 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.914 9.492 -1.796 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.134 6.890 -1.077 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.035 9.293 -0.716 1.00 0.00 C ATOM 109 CZ PHE A 10 0.329 7.990 -0.336 1.00 0.00 C ATOM 0 H PHE A 10 -4.436 8.673 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.071 7.512 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.342 7.826 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.328 9.553 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.380 6.239 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.194 10.494 -2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.189 5.892 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.360 10.142 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.963 7.835 0.524 1.00 0.00 H new ATOM 110 N LYS A 11 -4.211 10.813 -2.352 1.00 0.00 N ATOM 111 CA LYS A 11 -4.396 11.931 -1.439 1.00 0.00 C ATOM 112 C LYS A 11 -5.705 11.839 -0.650 1.00 0.00 C ATOM 113 O LYS A 11 -5.754 12.300 0.488 1.00 0.00 O ATOM 114 CB LYS A 11 -4.258 13.266 -2.180 1.00 0.00 C ATOM 115 CG LYS A 11 -2.779 13.538 -2.498 1.00 0.00 C ATOM 116 CD LYS A 11 -2.562 14.829 -3.299 1.00 0.00 C ATOM 117 CE LYS A 11 -2.902 16.078 -2.468 1.00 0.00 C ATOM 118 NZ LYS A 11 -2.479 17.326 -3.137 1.00 0.00 N ATOM 0 H LYS A 11 -4.116 11.094 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.600 11.878 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.839 13.242 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.662 14.074 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.218 13.598 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.374 12.697 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.524 14.883 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.181 14.809 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.976 16.111 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.417 16.007 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.728 18.141 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.450 17.308 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.961 17.408 -4.055 1.00 0.00 H new ATOM 119 N THR A 12 -6.759 11.265 -1.232 1.00 0.00 N ATOM 120 CA THR A 12 -8.060 11.169 -0.579 1.00 0.00 C ATOM 121 C THR A 12 -8.314 9.797 0.065 1.00 0.00 C ATOM 122 O THR A 12 -9.322 9.643 0.755 1.00 0.00 O ATOM 123 CB THR A 12 -9.165 11.565 -1.569 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.116 10.778 -2.749 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.062 13.043 -1.956 1.00 0.00 C ATOM 0 H THR A 12 -6.733 10.856 -2.166 1.00 0.00 H new ATOM 0 HA THR A 12 -8.069 11.873 0.253 1.00 0.00 H new ATOM 0 HB THR A 12 -10.113 11.389 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.353 11.057 -3.297 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.858 13.292 -2.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.159 13.661 -1.063 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.095 13.230 -2.423 1.00 0.00 H new ATOM 126 N ARG A 13 -7.452 8.796 -0.165 1.00 0.00 N ATOM 127 CA ARG A 13 -7.643 7.427 0.316 1.00 0.00 C ATOM 128 C ARG A 13 -6.520 7.041 1.277 1.00 0.00 C ATOM 129 O ARG A 13 -6.771 6.647 2.414 1.00 0.00 O ATOM 130 CB ARG A 13 -7.645 6.435 -0.865 1.00 0.00 C ATOM 131 CG ARG A 13 -8.987 6.189 -1.573 1.00 0.00 C ATOM 132 CD ARG A 13 -9.705 7.438 -2.094 1.00 0.00 C ATOM 133 NE ARG A 13 -10.622 7.995 -1.089 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.574 8.902 -1.350 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.509 9.624 -2.472 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.578 9.084 -0.486 1.00 0.00 N ATOM 0 H ARG A 13 -6.591 8.920 -0.698 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.602 7.383 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.932 6.792 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.274 5.477 -0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.815 5.515 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.652 5.673 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.969 8.192 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.262 7.188 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.527 7.669 -0.127 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.738 9.484 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.230 10.316 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.619 8.533 0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.303 9.774 -0.684 1.00 0.00 H new ATOM 137 N CYS A 14 -5.284 7.072 0.781 1.00 0.00 N ATOM 138 CA CYS A 14 -4.153 6.388 1.390 1.00 0.00 C ATOM 139 C CYS A 14 -3.394 7.367 2.278 1.00 0.00 C ATOM 140 O CYS A 14 -3.026 7.038 3.407 1.00 0.00 O ATOM 141 CB CYS A 14 -3.246 5.831 0.318 1.00 0.00 C ATOM 142 SG CYS A 14 -4.105 4.946 -1.018 1.00 0.00 S ATOM 0 H CYS A 14 -5.040 7.582 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.512 5.558 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.674 6.650 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.530 5.153 0.783 1.00 0.00 H new ATOM 143 N LEU A 15 -3.196 8.589 1.766 1.00 0.00 N ATOM 144 CA LEU A 15 -2.476 9.673 2.430 1.00 0.00 C ATOM 145 C LEU A 15 -2.953 9.857 3.869 1.00 0.00 C ATOM 146 O LEU A 15 -2.150 10.180 4.741 1.00 0.00 O ATOM 147 CB LEU A 15 -2.680 10.959 1.622 1.00 0.00 C ATOM 148 CG LEU A 15 -2.007 12.222 2.177 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.638 12.427 1.531 1.00 0.00 C ATOM 150 CD2 LEU A 15 -2.887 13.456 1.943 1.00 0.00 C ATOM 0 H LEU A 15 -3.547 8.855 0.846 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.415 9.427 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.311 10.790 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.751 11.148 1.543 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.874 12.089 3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.175 13.327 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.003 11.566 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.757 12.534 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.390 14.339 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.052 13.587 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.845 13.320 2.444 1.00 0.00 H new ATOM 151 N GLN A 16 -4.249 9.648 4.116 1.00 0.00 N ATOM 152 CA GLN A 16 -4.833 9.595 5.448 1.00 0.00 C ATOM 153 C GLN A 16 -3.888 8.891 6.431 1.00 0.00 C ATOM 154 O GLN A 16 -3.496 9.465 7.447 1.00 0.00 O ATOM 155 CB GLN A 16 -6.186 8.870 5.343 1.00 0.00 C ATOM 156 CG GLN A 16 -6.949 8.828 6.673 1.00 0.00 C ATOM 157 CD GLN A 16 -8.303 8.143 6.507 1.00 0.00 C ATOM 158 OE1 GLN A 16 -9.171 8.638 5.797 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.506 7.003 7.161 1.00 0.00 N ATOM 0 H GLN A 16 -4.934 9.508 3.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.988 10.602 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.801 9.368 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.020 7.851 4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.358 8.296 7.419 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.094 9.842 7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.767 6.612 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.400 6.520 7.078 1.00 0.00 H new ATOM 160 N CYS A 17 -3.513 7.654 6.104 1.00 0.00 N ATOM 161 CA CYS A 17 -2.832 6.735 7.006 1.00 0.00 C ATOM 162 C CYS A 17 -1.341 6.601 6.682 1.00 0.00 C ATOM 163 O CYS A 17 -0.543 6.321 7.582 1.00 0.00 O ATOM 164 CB CYS A 17 -3.500 5.394 6.913 1.00 0.00 C ATOM 165 SG CYS A 17 -5.149 5.436 7.688 1.00 0.00 S ATOM 0 H CYS A 17 -3.680 7.257 5.180 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.901 7.132 8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.592 5.101 5.867 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.883 4.641 7.402 1.00 0.00 H new ATOM 166 N HIS A 18 -0.994 6.775 5.404 1.00 0.00 N ATOM 167 CA HIS A 18 0.328 6.562 4.819 1.00 0.00 C ATOM 168 C HIS A 18 1.008 7.866 4.387 1.00 0.00 C ATOM 169 O HIS A 18 0.450 8.959 4.506 1.00 0.00 O ATOM 170 CB HIS A 18 0.155 5.648 3.599 1.00 0.00 C ATOM 171 CG HIS A 18 -0.156 4.227 3.969 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.795 3.275 4.224 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.371 3.599 3.920 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.180 2.092 4.311 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.141 2.236 4.141 1.00 0.00 N ATOM 0 H HIS A 18 -1.672 7.088 4.709 1.00 0.00 H new ATOM 0 HA HIS A 18 0.970 6.113 5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.646 6.038 2.971 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.067 5.671 3.003 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.796 3.440 4.329 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.328 4.067 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.678 1.151 4.493 1.00 0.00 H new ATOM 176 N THR A 19 2.227 7.710 3.860 1.00 0.00 N ATOM 177 CA THR A 19 2.966 8.661 3.045 1.00 0.00 C ATOM 178 C THR A 19 3.658 7.870 1.921 1.00 0.00 C ATOM 179 O THR A 19 3.782 6.650 2.035 1.00 0.00 O ATOM 180 CB THR A 19 3.994 9.410 3.907 1.00 0.00 C ATOM 181 OG1 THR A 19 4.827 8.512 4.624 1.00 0.00 O ATOM 182 CG2 THR A 19 3.307 10.369 4.882 1.00 0.00 C ATOM 0 H THR A 19 2.756 6.850 4.007 1.00 0.00 H new ATOM 0 HA THR A 19 2.297 9.407 2.616 1.00 0.00 H new ATOM 0 HB THR A 19 4.617 9.989 3.225 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.562 8.502 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.061 10.884 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.724 11.101 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.646 9.806 5.541 1.00 0.00 H new ATOM 183 N VAL A 20 4.082 8.543 0.842 1.00 0.00 N ATOM 184 CA VAL A 20 4.826 7.960 -0.283 1.00 0.00 C ATOM 185 C VAL A 20 6.163 8.689 -0.525 1.00 0.00 C ATOM 186 O VAL A 20 6.908 8.374 -1.454 1.00 0.00 O ATOM 187 CB VAL A 20 3.899 7.968 -1.512 1.00 0.00 C ATOM 188 CG1 VAL A 20 3.679 9.374 -2.087 1.00 0.00 C ATOM 189 CG2 VAL A 20 4.356 7.014 -2.625 1.00 0.00 C ATOM 0 H VAL A 20 3.911 9.542 0.725 1.00 0.00 H new ATOM 0 HA VAL A 20 5.110 6.932 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 20 2.945 7.603 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.017 9.314 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.227 10.011 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.637 9.796 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.658 7.069 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.352 7.301 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.383 5.994 -2.242 1.00 0.00 H new ATOM 190 N GLU A 21 6.469 9.681 0.316 1.00 0.00 N ATOM 191 CA GLU A 21 7.662 10.506 0.227 1.00 0.00 C ATOM 192 C GLU A 21 8.867 9.728 0.759 1.00 0.00 C ATOM 193 O GLU A 21 8.694 8.735 1.463 1.00 0.00 O ATOM 194 CB GLU A 21 7.411 11.770 1.057 1.00 0.00 C ATOM 195 CG GLU A 21 6.144 12.506 0.593 1.00 0.00 C ATOM 196 CD GLU A 21 5.744 13.567 1.604 1.00 0.00 C ATOM 197 OE1 GLU A 21 5.117 13.158 2.607 1.00 0.00 O ATOM 198 OE2 GLU A 21 6.079 14.744 1.360 1.00 0.00 O ATOM 0 H GLU A 21 5.869 9.935 1.101 1.00 0.00 H new ATOM 0 HA GLU A 21 7.876 10.780 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.313 11.502 2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.270 12.436 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.320 12.969 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.329 11.793 0.463 1.00 0.00 H new ATOM 199 N LYS A 22 10.087 10.176 0.445 1.00 0.00 N ATOM 200 CA LYS A 22 11.310 9.522 0.847 1.00 0.00 C ATOM 201 C LYS A 22 11.344 9.245 2.356 1.00 0.00 C ATOM 202 O LYS A 22 11.320 10.175 3.162 1.00 0.00 O ATOM 203 CB LYS A 22 12.480 10.405 0.431 1.00 0.00 C ATOM 204 CG LYS A 22 12.614 10.525 -1.090 1.00 0.00 C ATOM 205 CD LYS A 22 14.060 10.833 -1.496 1.00 0.00 C ATOM 206 CE LYS A 22 14.565 12.162 -0.916 1.00 0.00 C ATOM 207 NZ LYS A 22 15.975 12.420 -1.273 1.00 0.00 N ATOM 0 H LYS A 22 10.241 11.020 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 22 11.375 8.552 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.352 11.399 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.403 9.997 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.291 9.596 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.955 11.313 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.708 10.024 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.129 10.865 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.943 12.978 -1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.462 12.147 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.277 13.326 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.573 11.655 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.069 12.461 -2.308 1.00 0.00 H new ATOM 208 N GLY A 23 11.418 7.968 2.740 1.00 0.00 N ATOM 209 CA GLY A 23 11.461 7.554 4.134 1.00 0.00 C ATOM 210 C GLY A 23 10.081 7.701 4.766 1.00 0.00 C ATOM 211 O GLY A 23 9.398 6.702 4.965 1.00 0.00 O ATOM 0 H GLY A 23 11.450 7.190 2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.793 6.518 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.186 8.159 4.679 1.00 0.00 H new ATOM 212 N GLY A 24 9.682 8.947 5.036 1.00 0.00 N ATOM 213 CA GLY A 24 8.359 9.342 5.502 1.00 0.00 C ATOM 214 C GLY A 24 7.954 8.784 6.878 1.00 0.00 C ATOM 215 O GLY A 24 8.456 7.757 7.326 1.00 0.00 O ATOM 0 H GLY A 24 10.308 9.745 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.316 10.430 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.622 9.021 4.766 1.00 0.00 H new ATOM 216 N PRO A 25 7.033 9.460 7.581 1.00 0.00 N ATOM 217 CA PRO A 25 6.519 8.994 8.857 1.00 0.00 C ATOM 218 C PRO A 25 5.580 7.796 8.668 1.00 0.00 C ATOM 219 O PRO A 25 4.625 7.857 7.889 1.00 0.00 O ATOM 220 CB PRO A 25 5.789 10.195 9.463 1.00 0.00 C ATOM 221 CG PRO A 25 5.351 11.002 8.240 1.00 0.00 C ATOM 222 CD PRO A 25 6.483 10.761 7.241 1.00 0.00 C ATOM 0 HA PRO A 25 7.315 8.643 9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.935 9.884 10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.443 10.776 10.114 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.392 10.658 7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.239 12.061 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.111 10.774 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.243 11.539 7.314 1.00 0.00 H new ATOM 223 N HIS A 26 5.822 6.724 9.431 1.00 0.00 N ATOM 224 CA HIS A 26 4.963 5.546 9.474 1.00 0.00 C ATOM 225 C HIS A 26 3.760 5.851 10.378 1.00 0.00 C ATOM 226 O HIS A 26 3.641 5.293 11.465 1.00 0.00 O ATOM 227 CB HIS A 26 5.766 4.319 9.956 1.00 0.00 C ATOM 228 CG HIS A 26 7.074 4.111 9.230 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.262 3.360 8.093 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.280 4.677 9.550 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.542 3.508 7.715 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.204 4.288 8.579 1.00 0.00 N ATOM 0 H HIS A 26 6.634 6.654 10.044 1.00 0.00 H new ATOM 0 HA HIS A 26 4.591 5.305 8.478 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.968 4.427 11.022 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.151 3.427 9.837 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.480 5.311 10.401 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.978 3.059 6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.190 4.547 8.536 1.00 0.00 H new ATOM 233 N LYS A 27 2.913 6.793 9.946 1.00 0.00 N ATOM 234 CA LYS A 27 1.859 7.411 10.742 1.00 0.00 C ATOM 235 C LYS A 27 0.909 6.376 11.354 1.00 0.00 C ATOM 236 O LYS A 27 1.000 6.067 12.539 1.00 0.00 O ATOM 237 CB LYS A 27 1.079 8.373 9.847 1.00 0.00 C ATOM 238 CG LYS A 27 1.858 9.622 9.436 1.00 0.00 C ATOM 239 CD LYS A 27 0.928 10.562 8.658 1.00 0.00 C ATOM 240 CE LYS A 27 0.240 9.817 7.500 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.373 10.713 6.506 1.00 0.00 N ATOM 0 H LYS A 27 2.949 7.156 8.994 1.00 0.00 H new ATOM 0 HA LYS A 27 2.321 7.944 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.767 7.842 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.172 8.680 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.250 10.127 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.714 9.345 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.175 10.973 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.499 11.404 8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.972 9.182 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.528 9.160 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.698 10.156 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.183 11.204 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.329 11.413 6.190 1.00 0.00 H new ATOM 242 N VAL A 28 -0.043 5.884 10.553 1.00 0.00 N ATOM 243 CA VAL A 28 -0.906 4.774 10.921 1.00 0.00 C ATOM 244 C VAL A 28 -0.418 3.564 10.146 1.00 0.00 C ATOM 245 O VAL A 28 -0.172 2.522 10.748 1.00 0.00 O ATOM 246 CB VAL A 28 -2.378 5.099 10.630 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.279 3.870 10.788 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.873 6.154 11.615 1.00 0.00 C ATOM 0 H VAL A 28 -0.232 6.255 9.622 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.857 4.574 11.991 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.429 5.453 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.311 4.146 10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.959 3.093 10.094 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.209 3.496 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.918 6.384 11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.780 5.774 12.632 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.275 7.059 11.510 1.00 0.00 H new ATOM 249 N GLY A 29 -0.264 3.709 8.828 1.00 0.00 N ATOM 250 CA GLY A 29 0.399 2.726 7.994 1.00 0.00 C ATOM 251 C GLY A 29 1.862 3.127 7.816 1.00 0.00 C ATOM 252 O GLY A 29 2.231 4.258 8.136 1.00 0.00 O ATOM 0 H GLY A 29 -0.602 4.522 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.333 1.739 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.094 2.662 7.024 1.00 0.00 H new ATOM 253 N PRO A 30 2.709 2.217 7.314 1.00 0.00 N ATOM 254 CA PRO A 30 4.091 2.519 6.998 1.00 0.00 C ATOM 255 C PRO A 30 4.181 3.473 5.801 1.00 0.00 C ATOM 256 O PRO A 30 3.172 3.918 5.263 1.00 0.00 O ATOM 257 CB PRO A 30 4.756 1.163 6.738 1.00 0.00 C ATOM 258 CG PRO A 30 3.599 0.299 6.243 1.00 0.00 C ATOM 259 CD PRO A 30 2.406 0.826 7.039 1.00 0.00 C ATOM 0 HA PRO A 30 4.601 3.040 7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.549 1.239 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.206 0.754 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.446 0.407 5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.776 -0.759 6.435 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.481 0.731 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.271 0.263 7.963 1.00 0.00 H new ATOM 260 N ASN A 31 5.395 3.791 5.362 1.00 0.00 N ATOM 261 CA ASN A 31 5.607 4.629 4.194 1.00 0.00 C ATOM 262 C ASN A 31 5.710 3.743 2.950 1.00 0.00 C ATOM 263 O ASN A 31 6.307 2.669 3.012 1.00 0.00 O ATOM 264 CB ASN A 31 6.880 5.435 4.408 1.00 0.00 C ATOM 265 CG ASN A 31 7.282 6.155 3.134 1.00 0.00 C ATOM 266 OD1 ASN A 31 8.019 5.599 2.329 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.791 7.369 2.920 1.00 0.00 N ATOM 0 H ASN A 31 6.256 3.474 5.807 1.00 0.00 H new ATOM 0 HA ASN A 31 4.774 5.317 4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.727 6.160 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.685 4.773 4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.025 7.870 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.180 7.801 3.613 1.00 0.00 H new ATOM 268 N LEU A 32 5.118 4.185 1.837 1.00 0.00 N ATOM 269 CA LEU A 32 4.989 3.419 0.606 1.00 0.00 C ATOM 270 C LEU A 32 5.932 3.933 -0.490 1.00 0.00 C ATOM 271 O LEU A 32 5.694 3.689 -1.671 1.00 0.00 O ATOM 272 CB LEU A 32 3.517 3.464 0.160 1.00 0.00 C ATOM 273 CG LEU A 32 2.534 2.921 1.216 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.102 3.034 0.684 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.816 1.456 1.578 1.00 0.00 C ATOM 0 H LEU A 32 4.704 5.115 1.771 1.00 0.00 H new ATOM 0 HA LEU A 32 5.283 2.386 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.250 4.494 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.407 2.886 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 32 2.663 3.519 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.406 2.650 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.872 4.079 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.008 2.453 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.097 1.121 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.727 0.837 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.825 1.369 1.981 1.00 0.00 H new ATOM 276 N HIS A 33 7.015 4.624 -0.127 1.00 0.00 N ATOM 277 CA HIS A 33 8.074 4.963 -1.065 1.00 0.00 C ATOM 278 C HIS A 33 8.913 3.713 -1.316 1.00 0.00 C ATOM 279 O HIS A 33 9.103 2.917 -0.397 1.00 0.00 O ATOM 280 CB HIS A 33 8.950 6.054 -0.456 1.00 0.00 C ATOM 281 CG HIS A 33 9.897 6.671 -1.440 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.573 7.624 -2.377 1.00 0.00 N ATOM 283 CD2 HIS A 33 11.241 6.435 -1.518 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.715 7.957 -3.008 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.760 7.281 -2.497 1.00 0.00 N ATOM 0 H HIS A 33 7.177 4.960 0.822 1.00 0.00 H new ATOM 0 HA HIS A 33 7.652 5.323 -2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.311 6.833 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.520 5.633 0.372 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.645 8.006 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.799 5.723 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.783 8.671 -3.816 1.00 0.00 H new ATOM 286 N GLY A 34 9.437 3.524 -2.530 1.00 0.00 N ATOM 287 CA GLY A 34 10.215 2.339 -2.869 1.00 0.00 C ATOM 288 C GLY A 34 9.499 1.063 -2.425 1.00 0.00 C ATOM 289 O GLY A 34 10.113 0.178 -1.827 1.00 0.00 O ATOM 0 H GLY A 34 9.332 4.186 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.385 2.308 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.194 2.395 -2.393 1.00 0.00 H new ATOM 290 N ILE A 35 8.184 0.999 -2.655 1.00 0.00 N ATOM 291 CA ILE A 35 7.353 -0.130 -2.290 1.00 0.00 C ATOM 292 C ILE A 35 7.362 -1.167 -3.413 1.00 0.00 C ATOM 293 O ILE A 35 7.490 -2.358 -3.141 1.00 0.00 O ATOM 294 CB ILE A 35 5.960 0.369 -1.891 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.052 -0.733 -1.325 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.180 1.005 -3.030 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.419 -1.113 0.097 1.00 0.00 C ATOM 0 H ILE A 35 7.666 1.751 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 35 7.750 -0.644 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 35 6.192 1.112 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.016 -0.395 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.116 -1.615 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.206 1.332 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.731 1.864 -3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.043 0.276 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.747 -1.895 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.446 -1.478 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.328 -0.239 0.742 1.00 0.00 H new ATOM 298 N PHE A 36 7.282 -0.723 -4.673 1.00 0.00 N ATOM 299 CA PHE A 36 7.310 -1.621 -5.824 1.00 0.00 C ATOM 300 C PHE A 36 8.739 -2.114 -6.052 1.00 0.00 C ATOM 301 O PHE A 36 9.391 -1.713 -7.013 1.00 0.00 O ATOM 302 CB PHE A 36 6.739 -0.930 -7.071 1.00 0.00 C ATOM 303 CG PHE A 36 5.229 -0.781 -7.058 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.628 0.245 -6.311 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.415 -1.745 -7.683 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.243 0.249 -6.103 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.017 -1.675 -7.562 1.00 0.00 C ATOM 308 CZ PHE A 36 2.430 -0.691 -6.747 1.00 0.00 C ATOM 0 H PHE A 36 7.197 0.263 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 36 6.677 -2.485 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.190 0.058 -7.165 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.030 -1.499 -7.954 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.236 1.034 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.867 -2.541 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.800 0.980 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.393 -2.377 -8.095 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.358 -0.661 -6.619 1.00 0.00 H new ATOM 309 N GLY A 37 9.228 -2.980 -5.163 1.00 0.00 N ATOM 310 CA GLY A 37 10.571 -3.530 -5.248 1.00 0.00 C ATOM 311 C GLY A 37 10.952 -4.225 -3.946 1.00 0.00 C ATOM 312 O GLY A 37 11.419 -5.362 -3.963 1.00 0.00 O ATOM 0 H GLY A 37 8.696 -3.318 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.628 -4.239 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.283 -2.733 -5.462 1.00 0.00 H new ATOM 313 N ARG A 38 10.771 -3.540 -2.813 1.00 0.00 N ATOM 314 CA ARG A 38 11.008 -4.157 -1.518 1.00 0.00 C ATOM 315 C ARG A 38 9.944 -5.226 -1.265 1.00 0.00 C ATOM 316 O ARG A 38 8.826 -5.116 -1.760 1.00 0.00 O ATOM 317 CB ARG A 38 11.027 -3.097 -0.407 1.00 0.00 C ATOM 318 CG ARG A 38 9.624 -2.620 -0.002 1.00 0.00 C ATOM 319 CD ARG A 38 9.682 -1.710 1.226 1.00 0.00 C ATOM 320 NE ARG A 38 10.156 -0.360 0.888 1.00 0.00 N ATOM 321 CZ ARG A 38 10.587 0.542 1.784 1.00 0.00 C ATOM 322 NH1 ARG A 38 10.934 0.158 3.017 1.00 0.00 N ATOM 323 NH2 ARG A 38 10.666 1.833 1.456 1.00 0.00 N ATOM 0 H ARG A 38 10.464 -2.568 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 38 11.986 -4.637 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.531 -3.506 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.613 -2.240 -0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.165 -2.085 -0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.991 -3.482 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.691 -1.645 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.343 -2.150 1.973 1.00 0.00 H new ATOM 0 HE ARG A 38 10.157 -0.090 -0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.872 -0.825 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.261 0.848 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.398 2.139 0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.994 2.514 2.141 1.00 0.00 H new ATOM 324 N GLN A 39 10.264 -6.233 -0.456 1.00 0.00 N ATOM 325 CA GLN A 39 9.294 -7.209 -0.016 1.00 0.00 C ATOM 326 C GLN A 39 8.496 -6.618 1.157 1.00 0.00 C ATOM 327 O GLN A 39 8.816 -5.535 1.651 1.00 0.00 O ATOM 328 CB GLN A 39 10.071 -8.482 0.326 1.00 0.00 C ATOM 329 CG GLN A 39 10.664 -9.087 -0.962 1.00 0.00 C ATOM 330 CD GLN A 39 11.748 -10.129 -0.708 1.00 0.00 C ATOM 331 OE1 GLN A 39 11.574 -11.036 0.096 1.00 0.00 O ATOM 332 NE2 GLN A 39 12.867 -10.043 -1.421 1.00 0.00 N ATOM 0 H GLN A 39 11.204 -6.388 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 39 8.557 -7.464 -0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.868 -8.255 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.412 -9.204 0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.862 -9.544 -1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.080 -8.285 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.991 -9.279 -2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.601 -10.741 -1.304 1.00 0.00 H new ATOM 333 N SER A 40 7.430 -7.286 1.591 1.00 0.00 N ATOM 334 CA SER A 40 6.544 -6.771 2.622 1.00 0.00 C ATOM 335 C SER A 40 7.203 -6.892 3.997 1.00 0.00 C ATOM 336 O SER A 40 8.121 -7.690 4.183 1.00 0.00 O ATOM 337 CB SER A 40 5.186 -7.483 2.536 1.00 0.00 C ATOM 338 OG SER A 40 5.249 -8.809 3.011 1.00 0.00 O ATOM 0 H SER A 40 7.159 -8.202 1.234 1.00 0.00 H new ATOM 0 HA SER A 40 6.359 -5.709 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.449 -6.926 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.844 -7.485 1.501 1.00 0.00 H new ATOM 0 HG SER A 40 4.929 -8.840 3.937 1.00 0.00 H new ATOM 339 N GLY A 41 6.749 -6.095 4.966 1.00 0.00 N ATOM 340 CA GLY A 41 7.191 -6.263 6.344 1.00 0.00 C ATOM 341 C GLY A 41 8.687 -5.990 6.548 1.00 0.00 C ATOM 342 O GLY A 41 9.279 -6.540 7.473 1.00 0.00 O ATOM 0 H GLY A 41 6.083 -5.336 4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.618 -5.593 6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.969 -7.280 6.666 1.00 0.00 H new ATOM 343 N GLN A 42 9.299 -5.129 5.722 1.00 0.00 N ATOM 344 CA GLN A 42 10.713 -4.767 5.813 1.00 0.00 C ATOM 345 C GLN A 42 10.962 -3.273 5.553 1.00 0.00 C ATOM 346 O GLN A 42 11.931 -2.896 4.889 1.00 0.00 O ATOM 347 CB GLN A 42 11.536 -5.682 4.904 1.00 0.00 C ATOM 348 CG GLN A 42 11.081 -5.562 3.449 1.00 0.00 C ATOM 349 CD GLN A 42 12.211 -5.310 2.458 1.00 0.00 C ATOM 350 OE1 GLN A 42 12.347 -6.008 1.456 1.00 0.00 O ATOM 351 NE2 GLN A 42 13.008 -4.274 2.700 1.00 0.00 N ATOM 0 H GLN A 42 8.812 -4.658 4.959 1.00 0.00 H new ATOM 0 HA GLN A 42 11.045 -4.924 6.839 1.00 0.00 H new ATOM 0 HB2 GLN A 42 12.592 -5.423 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.436 -6.715 5.236 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.563 -6.478 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.358 -4.750 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.872 -3.711 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.755 -4.042 2.046 1.00 0.00 H new ATOM 352 N ALA A 43 10.088 -2.413 6.073 1.00 0.00 N ATOM 353 CA ALA A 43 10.383 -1.010 6.326 1.00 0.00 C ATOM 354 C ALA A 43 11.157 -0.869 7.645 1.00 0.00 C ATOM 355 O ALA A 43 11.719 -1.842 8.146 1.00 0.00 O ATOM 356 CB ALA A 43 9.069 -0.220 6.320 1.00 0.00 C ATOM 0 H ALA A 43 9.139 -2.680 6.334 1.00 0.00 H new ATOM 0 HA ALA A 43 11.021 -0.600 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.277 0.833 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.585 -0.326 5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.410 -0.605 7.098 1.00 0.00 H new ATOM 357 N GLU A 44 11.199 0.348 8.195 1.00 0.00 N ATOM 358 CA GLU A 44 11.838 0.634 9.474 1.00 0.00 C ATOM 359 C GLU A 44 11.110 -0.098 10.612 1.00 0.00 C ATOM 360 O GLU A 44 10.041 -0.676 10.405 1.00 0.00 O ATOM 361 CB GLU A 44 11.884 2.157 9.659 1.00 0.00 C ATOM 362 CG GLU A 44 12.769 2.646 10.814 1.00 0.00 C ATOM 363 CD GLU A 44 13.034 4.142 10.690 1.00 0.00 C ATOM 364 OE1 GLU A 44 13.794 4.500 9.766 1.00 0.00 O ATOM 365 OE2 GLU A 44 12.469 4.890 11.515 1.00 0.00 O ATOM 0 H GLU A 44 10.784 1.170 7.756 1.00 0.00 H new ATOM 0 HA GLU A 44 12.863 0.263 9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.239 2.609 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.869 2.519 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.283 2.435 11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.714 2.102 10.811 1.00 0.00 H new ATOM 366 N GLY A 45 11.687 -0.070 11.819 1.00 0.00 N ATOM 367 CA GLY A 45 11.171 -0.732 13.013 1.00 0.00 C ATOM 368 C GLY A 45 9.913 -0.055 13.565 1.00 0.00 C ATOM 369 O GLY A 45 9.899 0.427 14.694 1.00 0.00 O ATOM 0 H GLY A 45 12.557 0.433 11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.946 -1.772 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.943 -0.739 13.783 1.00 0.00 H new ATOM 370 N TYR A 46 8.854 -0.042 12.757 1.00 0.00 N ATOM 371 CA TYR A 46 7.525 0.447 13.080 1.00 0.00 C ATOM 372 C TYR A 46 6.670 -0.742 13.556 1.00 0.00 C ATOM 373 O TYR A 46 7.107 -1.892 13.496 1.00 0.00 O ATOM 374 CB TYR A 46 6.994 1.186 11.834 1.00 0.00 C ATOM 375 CG TYR A 46 5.530 1.008 11.505 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.132 -0.106 10.748 1.00 0.00 C ATOM 377 CD2 TYR A 46 4.570 1.946 11.931 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.792 -0.250 10.376 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.219 1.776 11.587 1.00 0.00 C ATOM 380 CZ TYR A 46 2.830 0.661 10.828 1.00 0.00 C ATOM 381 OH TYR A 46 1.529 0.463 10.490 1.00 0.00 O ATOM 0 H TYR A 46 8.910 -0.396 11.802 1.00 0.00 H new ATOM 0 HA TYR A 46 7.507 1.164 13.901 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.185 2.251 11.964 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.577 0.861 10.973 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.859 -0.849 10.454 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.873 2.797 12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.497 -1.069 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.483 2.500 11.905 1.00 0.00 H new ATOM 0 HH TYR A 46 1.012 1.270 10.693 1.00 0.00 H new ATOM 382 N SER A 47 5.457 -0.477 14.053 1.00 0.00 N ATOM 383 CA SER A 47 4.549 -1.483 14.582 1.00 0.00 C ATOM 384 C SER A 47 4.001 -2.378 13.463 1.00 0.00 C ATOM 385 O SER A 47 2.847 -2.224 13.060 1.00 0.00 O ATOM 386 CB SER A 47 3.417 -0.762 15.318 1.00 0.00 C ATOM 387 OG SER A 47 2.825 0.180 14.446 1.00 0.00 O ATOM 0 H SER A 47 5.076 0.468 14.097 1.00 0.00 H new ATOM 0 HA SER A 47 5.082 -2.136 15.273 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.671 -1.481 15.657 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.804 -0.261 16.205 1.00 0.00 H new ATOM 0 HG SER A 47 2.558 -0.266 13.615 1.00 0.00 H new ATOM 388 N TYR A 48 4.836 -3.289 12.970 1.00 0.00 N ATOM 389 CA TYR A 48 4.525 -4.276 11.961 1.00 0.00 C ATOM 390 C TYR A 48 3.953 -5.551 12.585 1.00 0.00 C ATOM 391 O TYR A 48 3.624 -5.562 13.771 1.00 0.00 O ATOM 392 CB TYR A 48 5.841 -4.567 11.245 1.00 0.00 C ATOM 393 CG TYR A 48 6.167 -3.682 10.070 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.201 -3.404 9.078 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.525 -3.540 9.768 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.603 -2.990 7.799 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.910 -3.355 8.442 1.00 0.00 C ATOM 398 CZ TYR A 48 6.963 -3.023 7.461 1.00 0.00 C ATOM 399 OH TYR A 48 7.352 -2.946 6.157 1.00 0.00 O ATOM 0 H TYR A 48 5.803 -3.355 13.288 1.00 0.00 H new ATOM 0 HA TYR A 48 3.764 -3.908 11.273 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.651 -4.487 11.970 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.823 -5.601 10.901 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.150 -3.510 9.304 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.266 -3.573 10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.871 -2.649 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.948 -3.468 8.166 1.00 0.00 H new ATOM 0 HH TYR A 48 6.601 -2.636 5.609 1.00 0.00 H new ATOM 400 N THR A 49 3.838 -6.627 11.791 1.00 0.00 N ATOM 401 CA THR A 49 3.259 -7.883 12.245 1.00 0.00 C ATOM 402 C THR A 49 4.072 -9.097 11.789 1.00 0.00 C ATOM 403 O THR A 49 4.608 -9.132 10.679 1.00 0.00 O ATOM 404 CB THR A 49 1.786 -8.001 11.815 1.00 0.00 C ATOM 405 OG1 THR A 49 1.620 -8.492 10.503 1.00 0.00 O ATOM 406 CG2 THR A 49 1.029 -6.679 11.910 1.00 0.00 C ATOM 0 H THR A 49 4.146 -6.642 10.819 1.00 0.00 H new ATOM 0 HA THR A 49 3.294 -7.874 13.334 1.00 0.00 H new ATOM 0 HB THR A 49 1.372 -8.718 12.524 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.670 -8.668 10.337 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.003 -6.827 11.594 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.045 -6.324 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.504 -5.941 11.264 1.00 0.00 H new ATOM 407 N ASP A 50 4.109 -10.119 12.654 1.00 0.00 N ATOM 408 CA ASP A 50 4.595 -11.450 12.324 1.00 0.00 C ATOM 409 C ASP A 50 3.936 -11.942 11.044 1.00 0.00 C ATOM 410 O ASP A 50 4.599 -12.394 10.122 1.00 0.00 O ATOM 411 CB ASP A 50 4.243 -12.409 13.460 1.00 0.00 C ATOM 412 CG ASP A 50 4.635 -13.834 13.105 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.784 -14.057 12.662 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.791 -14.744 13.259 1.00 0.00 O ATOM 0 H ASP A 50 3.794 -10.034 13.620 1.00 0.00 H new ATOM 0 HA ASP A 50 5.675 -11.411 12.184 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.755 -12.103 14.372 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.173 -12.361 13.664 1.00 0.00 H new ATOM 415 N ALA A 51 2.609 -11.848 11.002 1.00 0.00 N ATOM 416 CA ALA A 51 1.818 -12.246 9.848 1.00 0.00 C ATOM 417 C ALA A 51 2.331 -11.598 8.557 1.00 0.00 C ATOM 418 O ALA A 51 2.546 -12.307 7.576 1.00 0.00 O ATOM 419 CB ALA A 51 0.346 -11.933 10.091 1.00 0.00 C ATOM 0 H ALA A 51 2.051 -11.490 11.777 1.00 0.00 H new ATOM 0 HA ALA A 51 1.922 -13.323 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.238 -12.234 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.002 -12.478 10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.224 -10.863 10.257 1.00 0.00 H new ATOM 420 N ASN A 52 2.546 -10.273 8.539 1.00 0.00 N ATOM 421 CA ASN A 52 3.098 -9.602 7.362 1.00 0.00 C ATOM 422 C ASN A 52 4.425 -10.261 6.962 1.00 0.00 C ATOM 423 O ASN A 52 4.595 -10.642 5.808 1.00 0.00 O ATOM 424 CB ASN A 52 3.197 -8.082 7.597 1.00 0.00 C ATOM 425 CG ASN A 52 3.603 -7.291 6.346 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.222 -7.833 5.434 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.262 -6.003 6.269 1.00 0.00 N ATOM 0 H ASN A 52 2.346 -9.652 9.323 1.00 0.00 H new ATOM 0 HA ASN A 52 2.425 -9.722 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.234 -7.714 7.952 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.922 -7.892 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.515 -5.457 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.748 -5.565 7.033 1.00 0.00 H new ATOM 428 N ILE A 53 5.334 -10.488 7.917 1.00 0.00 N ATOM 429 CA ILE A 53 6.592 -11.189 7.652 1.00 0.00 C ATOM 430 C ILE A 53 6.339 -12.596 7.076 1.00 0.00 C ATOM 431 O ILE A 53 6.856 -12.946 6.018 1.00 0.00 O ATOM 432 CB ILE A 53 7.475 -11.209 8.915 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.858 -9.769 9.309 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.737 -12.050 8.676 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.555 -9.691 10.670 1.00 0.00 C ATOM 0 H ILE A 53 5.219 -10.193 8.887 1.00 0.00 H new ATOM 0 HA ILE A 53 7.142 -10.643 6.886 1.00 0.00 H new ATOM 0 HB ILE A 53 6.911 -11.662 9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.514 -9.351 8.546 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.960 -9.152 9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.349 -12.053 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.451 -13.072 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.308 -11.623 7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.801 -8.653 10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.891 -10.081 11.442 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.470 -10.283 10.645 1.00 0.00 H new ATOM 436 N LYS A 54 5.535 -13.428 7.743 1.00 0.00 N ATOM 437 CA LYS A 54 5.185 -14.764 7.267 1.00 0.00 C ATOM 438 C LYS A 54 4.449 -14.723 5.923 1.00 0.00 C ATOM 439 O LYS A 54 4.317 -15.741 5.237 1.00 0.00 O ATOM 440 CB LYS A 54 4.340 -15.494 8.314 1.00 0.00 C ATOM 441 CG LYS A 54 5.163 -15.886 9.551 1.00 0.00 C ATOM 442 CD LYS A 54 4.402 -16.945 10.363 1.00 0.00 C ATOM 443 CE LYS A 54 5.246 -17.543 11.498 1.00 0.00 C ATOM 444 NZ LYS A 54 5.457 -16.591 12.603 1.00 0.00 N ATOM 0 H LYS A 54 5.106 -13.189 8.637 1.00 0.00 H new ATOM 0 HA LYS A 54 6.116 -15.309 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.510 -14.856 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.907 -16.390 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.134 -16.276 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.352 -15.007 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.502 -16.497 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.079 -17.745 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.754 -18.437 11.881 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.212 -17.856 11.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.973 -17.062 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.010 -15.779 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.537 -16.259 12.956 1.00 0.00 H new ATOM 445 N LYS A 55 3.934 -13.561 5.538 1.00 0.00 N ATOM 446 CA LYS A 55 3.371 -13.310 4.228 1.00 0.00 C ATOM 447 C LYS A 55 4.222 -12.308 3.444 1.00 0.00 C ATOM 448 O LYS A 55 3.680 -11.504 2.693 1.00 0.00 O ATOM 449 CB LYS A 55 1.902 -12.939 4.414 1.00 0.00 C ATOM 450 CG LYS A 55 0.999 -13.261 3.217 1.00 0.00 C ATOM 451 CD LYS A 55 0.567 -14.735 3.093 1.00 0.00 C ATOM 452 CE LYS A 55 1.620 -15.727 2.555 1.00 0.00 C ATOM 453 NZ LYS A 55 2.316 -16.505 3.611 1.00 0.00 N ATOM 0 H LYS A 55 3.898 -12.747 6.151 1.00 0.00 H new ATOM 0 HA LYS A 55 3.392 -14.198 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.519 -13.461 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.836 -11.872 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.104 -12.642 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.520 -12.974 2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.248 -15.079 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.306 -14.779 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.133 -16.420 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.361 -15.175 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.006 -17.147 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.810 -15.853 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.620 -17.060 4.149 1.00 0.00 H new ATOM 454 N ASN A 56 5.548 -12.442 3.582 1.00 0.00 N ATOM 455 CA ASN A 56 6.595 -11.786 2.802 1.00 0.00 C ATOM 456 C ASN A 56 6.236 -11.735 1.314 1.00 0.00 C ATOM 457 O ASN A 56 6.503 -12.682 0.571 1.00 0.00 O ATOM 458 CB ASN A 56 7.918 -12.534 3.020 1.00 0.00 C ATOM 459 CG ASN A 56 9.083 -11.906 2.266 1.00 0.00 C ATOM 460 OD1 ASN A 56 9.922 -11.238 2.858 1.00 0.00 O ATOM 461 ND2 ASN A 56 9.165 -12.140 0.963 1.00 0.00 N ATOM 0 H ASN A 56 5.941 -13.057 4.294 1.00 0.00 H new ATOM 0 HA ASN A 56 6.697 -10.755 3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.148 -12.552 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.801 -13.570 2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.943 -11.760 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.450 -12.700 0.499 1.00 0.00 H new ATOM 462 N VAL A 57 5.640 -10.627 0.884 1.00 0.00 N ATOM 463 CA VAL A 57 5.107 -10.411 -0.450 1.00 0.00 C ATOM 464 C VAL A 57 5.959 -9.347 -1.143 1.00 0.00 C ATOM 465 O VAL A 57 6.268 -8.327 -0.544 1.00 0.00 O ATOM 466 CB VAL A 57 3.621 -10.022 -0.297 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.123 -9.007 -1.327 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.756 -11.286 -0.352 1.00 0.00 C ATOM 0 H VAL A 57 5.511 -9.817 1.490 1.00 0.00 H new ATOM 0 HA VAL A 57 5.150 -11.301 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 57 3.534 -9.528 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.070 -8.791 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.702 -8.087 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.242 -9.418 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.706 -11.013 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.904 -11.787 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.041 -11.958 0.458 1.00 0.00 H new ATOM 469 N LEU A 58 6.331 -9.567 -2.407 1.00 0.00 N ATOM 470 CA LEU A 58 7.211 -8.684 -3.180 1.00 0.00 C ATOM 471 C LEU A 58 6.601 -7.290 -3.417 1.00 0.00 C ATOM 472 O LEU A 58 7.282 -6.381 -3.877 1.00 0.00 O ATOM 473 CB LEU A 58 7.546 -9.418 -4.490 1.00 0.00 C ATOM 474 CG LEU A 58 8.664 -8.909 -5.418 1.00 0.00 C ATOM 475 CD1 LEU A 58 8.179 -7.959 -6.521 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.832 -8.324 -4.633 1.00 0.00 C ATOM 0 H LEU A 58 6.022 -10.383 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 58 8.123 -8.480 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.793 -10.446 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.631 -9.452 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 58 9.027 -9.793 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.027 -7.646 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.450 -8.472 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.715 -7.083 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.598 -7.977 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.482 -7.486 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.252 -9.090 -3.981 1.00 0.00 H new ATOM 477 N TRP A 59 5.304 -7.122 -3.141 1.00 0.00 N ATOM 478 CA TRP A 59 4.543 -5.927 -3.466 1.00 0.00 C ATOM 479 C TRP A 59 4.685 -5.572 -4.944 1.00 0.00 C ATOM 480 O TRP A 59 4.894 -4.420 -5.320 1.00 0.00 O ATOM 481 CB TRP A 59 4.825 -4.772 -2.489 1.00 0.00 C ATOM 482 CG TRP A 59 4.283 -4.932 -1.094 1.00 0.00 C ATOM 483 CD1 TRP A 59 4.954 -4.646 0.046 1.00 0.00 C ATOM 484 CD2 TRP A 59 2.972 -5.424 -0.666 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.159 -4.932 1.138 1.00 0.00 N ATOM 486 CE2 TRP A 59 2.958 -5.486 0.757 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.793 -5.842 -1.324 1.00 0.00 C ATOM 488 CZ2 TRP A 59 1.874 -5.997 1.484 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.722 -6.404 -0.611 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.762 -6.490 0.789 1.00 0.00 C ATOM 0 H TRP A 59 4.746 -7.836 -2.673 1.00 0.00 H new ATOM 0 HA TRP A 59 3.484 -6.140 -3.321 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.904 -4.635 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.413 -3.856 -2.913 1.00 0.00 H new ATOM 0 HD1 TRP A 59 5.959 -4.254 0.094 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.428 -4.755 2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.715 -5.727 -2.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.896 -6.010 2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.141 -6.774 -1.145 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.061 -6.934 1.329 1.00 0.00 H new ATOM 491 N ASP A 60 4.483 -6.591 -5.785 1.00 0.00 N ATOM 492 CA ASP A 60 4.160 -6.377 -7.181 1.00 0.00 C ATOM 493 C ASP A 60 2.730 -5.832 -7.273 1.00 0.00 C ATOM 494 O ASP A 60 1.980 -5.818 -6.294 1.00 0.00 O ATOM 495 CB ASP A 60 4.330 -7.678 -7.983 1.00 0.00 C ATOM 496 CG ASP A 60 2.993 -8.347 -8.265 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.397 -8.874 -7.302 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.531 -8.208 -9.418 1.00 0.00 O ATOM 0 H ASP A 60 4.540 -7.572 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 60 4.844 -5.649 -7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.834 -7.461 -8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.971 -8.365 -7.430 1.00 0.00 H new ATOM 499 N GLU A 61 2.354 -5.410 -8.477 1.00 0.00 N ATOM 500 CA GLU A 61 1.046 -4.890 -8.770 1.00 0.00 C ATOM 501 C GLU A 61 -0.065 -5.907 -8.506 1.00 0.00 C ATOM 502 O GLU A 61 -1.050 -5.560 -7.865 1.00 0.00 O ATOM 503 CB GLU A 61 1.072 -4.401 -10.216 1.00 0.00 C ATOM 504 CG GLU A 61 0.009 -3.334 -10.409 1.00 0.00 C ATOM 505 CD GLU A 61 -1.401 -3.896 -10.608 1.00 0.00 C ATOM 506 OE1 GLU A 61 -1.503 -4.902 -11.342 1.00 0.00 O ATOM 507 OE2 GLU A 61 -2.345 -3.318 -10.029 1.00 0.00 O ATOM 0 H GLU A 61 2.974 -5.426 -9.287 1.00 0.00 H new ATOM 0 HA GLU A 61 0.811 -4.062 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.055 -3.997 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.894 -5.234 -10.896 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.008 -2.674 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.272 -2.724 -11.273 1.00 0.00 H new ATOM 508 N ASN A 62 0.083 -7.151 -8.961 1.00 0.00 N ATOM 509 CA ASN A 62 -0.931 -8.179 -8.751 1.00 0.00 C ATOM 510 C ASN A 62 -1.237 -8.320 -7.260 1.00 0.00 C ATOM 511 O ASN A 62 -2.385 -8.221 -6.820 1.00 0.00 O ATOM 512 CB ASN A 62 -0.446 -9.512 -9.326 1.00 0.00 C ATOM 513 CG ASN A 62 -1.410 -10.639 -9.017 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.378 -10.853 -9.739 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.151 -11.393 -7.959 1.00 0.00 N ATOM 0 H ASN A 62 0.901 -7.470 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.847 -7.887 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.327 -9.421 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.535 -9.750 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.764 -12.175 -7.727 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.339 -11.192 -7.376 1.00 0.00 H new ATOM 516 N ASN A 63 -0.187 -8.549 -6.476 1.00 0.00 N ATOM 517 CA ASN A 63 -0.319 -8.807 -5.056 1.00 0.00 C ATOM 518 C ASN A 63 -0.854 -7.567 -4.343 1.00 0.00 C ATOM 519 O ASN A 63 -1.788 -7.670 -3.544 1.00 0.00 O ATOM 520 CB ASN A 63 1.023 -9.276 -4.491 1.00 0.00 C ATOM 521 CG ASN A 63 1.418 -10.662 -5.011 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.790 -11.226 -5.904 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.442 -11.263 -4.408 1.00 0.00 N ATOM 0 H ASN A 63 0.776 -8.560 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.041 -9.606 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.798 -8.556 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.968 -9.300 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.716 -12.206 -4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.953 -10.781 -3.668 1.00 0.00 H new ATOM 524 N MET A 64 -0.290 -6.389 -4.638 1.00 0.00 N ATOM 525 CA MET A 64 -0.771 -5.151 -4.040 1.00 0.00 C ATOM 526 C MET A 64 -2.231 -4.893 -4.414 1.00 0.00 C ATOM 527 O MET A 64 -3.004 -4.442 -3.575 1.00 0.00 O ATOM 528 CB MET A 64 0.133 -3.967 -4.398 1.00 0.00 C ATOM 529 CG MET A 64 -0.223 -2.767 -3.505 1.00 0.00 C ATOM 530 SD MET A 64 0.791 -1.280 -3.677 1.00 0.00 S ATOM 531 CE MET A 64 2.427 -1.934 -3.282 1.00 0.00 C ATOM 0 H MET A 64 0.493 -6.274 -5.282 1.00 0.00 H new ATOM 0 HA MET A 64 -0.729 -5.263 -2.957 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.179 -4.239 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.007 -3.703 -5.448 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.259 -2.494 -3.703 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.172 -3.092 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.158 -1.126 -3.310 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.412 -2.375 -2.285 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.700 -2.696 -4.012 1.00 0.00 H new ATOM 532 N SER A 65 -2.619 -5.181 -5.657 1.00 0.00 N ATOM 533 CA SER A 65 -3.999 -5.080 -6.100 1.00 0.00 C ATOM 534 C SER A 65 -4.897 -5.910 -5.185 1.00 0.00 C ATOM 535 O SER A 65 -5.844 -5.370 -4.615 1.00 0.00 O ATOM 536 CB SER A 65 -4.135 -5.476 -7.581 1.00 0.00 C ATOM 537 OG SER A 65 -5.452 -5.914 -7.865 1.00 0.00 O ATOM 0 H SER A 65 -1.976 -5.492 -6.385 1.00 0.00 H new ATOM 0 HA SER A 65 -4.325 -4.042 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.885 -4.625 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.424 -6.268 -7.817 1.00 0.00 H new ATOM 0 HG SER A 65 -5.536 -6.099 -8.824 1.00 0.00 H new ATOM 538 N GLU A 66 -4.605 -7.209 -5.040 1.00 0.00 N ATOM 539 CA GLU A 66 -5.445 -8.080 -4.224 1.00 0.00 C ATOM 540 C GLU A 66 -5.526 -7.552 -2.789 1.00 0.00 C ATOM 541 O GLU A 66 -6.589 -7.410 -2.182 1.00 0.00 O ATOM 542 CB GLU A 66 -4.926 -9.519 -4.250 1.00 0.00 C ATOM 543 CG GLU A 66 -5.897 -10.483 -3.544 1.00 0.00 C ATOM 544 CD GLU A 66 -7.334 -10.393 -4.050 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.627 -11.068 -5.058 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.118 -9.659 -3.402 1.00 0.00 O ATOM 0 H GLU A 66 -3.804 -7.670 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.450 -8.081 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.783 -9.837 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.951 -9.564 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.539 -11.504 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.885 -10.276 -2.474 1.00 0.00 H new ATOM 547 N TYR A 67 -4.356 -7.227 -2.247 1.00 0.00 N ATOM 548 CA TYR A 67 -4.267 -6.569 -0.954 1.00 0.00 C ATOM 549 C TYR A 67 -5.203 -5.354 -0.888 1.00 0.00 C ATOM 550 O TYR A 67 -5.937 -5.188 0.078 1.00 0.00 O ATOM 551 CB TYR A 67 -2.811 -6.204 -0.674 1.00 0.00 C ATOM 552 CG TYR A 67 -2.582 -5.567 0.677 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.628 -6.362 1.831 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.423 -4.177 0.795 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.530 -5.778 3.103 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.403 -3.587 2.067 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.451 -4.385 3.223 1.00 0.00 C ATOM 558 OH TYR A 67 -2.708 -3.830 4.436 1.00 0.00 O ATOM 0 H TYR A 67 -3.455 -7.411 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.600 -7.251 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.202 -7.105 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.464 -5.521 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.740 -7.432 1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.317 -3.566 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.516 -6.400 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.350 -2.512 2.159 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.395 -3.138 4.340 1.00 0.00 H new ATOM 559 N LEU A 68 -5.216 -4.517 -1.923 1.00 0.00 N ATOM 560 CA LEU A 68 -6.100 -3.363 -1.988 1.00 0.00 C ATOM 561 C LEU A 68 -7.575 -3.727 -2.139 1.00 0.00 C ATOM 562 O LEU A 68 -8.408 -2.968 -1.653 1.00 0.00 O ATOM 563 CB LEU A 68 -5.646 -2.378 -3.069 1.00 0.00 C ATOM 564 CG LEU A 68 -5.024 -1.116 -2.453 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.812 -1.421 -1.564 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.582 -0.185 -3.580 1.00 0.00 C ATOM 0 H LEU A 68 -4.613 -4.623 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.021 -2.869 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.920 -2.862 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.497 -2.100 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.784 -0.653 -1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.416 -0.491 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.116 -2.074 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.042 -1.915 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.138 0.715 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.846 -0.693 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.446 0.088 -4.187 1.00 0.00 H new ATOM 567 N THR A 69 -7.940 -4.832 -2.794 1.00 0.00 N ATOM 568 CA THR A 69 -9.328 -5.282 -2.778 1.00 0.00 C ATOM 569 C THR A 69 -9.732 -5.774 -1.382 1.00 0.00 C ATOM 570 O THR A 69 -10.869 -5.540 -0.968 1.00 0.00 O ATOM 571 CB THR A 69 -9.605 -6.307 -3.892 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.473 -7.099 -4.159 1.00 0.00 O ATOM 573 CG2 THR A 69 -9.913 -5.560 -5.195 1.00 0.00 C ATOM 0 H THR A 69 -7.304 -5.421 -3.332 1.00 0.00 H new ATOM 0 HA THR A 69 -9.968 -4.428 -2.998 1.00 0.00 H new ATOM 0 HB THR A 69 -10.434 -6.931 -3.558 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.660 -8.030 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.110 -6.280 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.789 -4.927 -5.053 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.059 -4.941 -5.470 1.00 0.00 H new ATOM 574 N ASN A 70 -8.826 -6.425 -0.642 1.00 0.00 N ATOM 575 CA ASN A 70 -9.095 -6.904 0.715 1.00 0.00 C ATOM 576 C ASN A 70 -7.802 -7.139 1.519 1.00 0.00 C ATOM 577 O ASN A 70 -7.236 -8.235 1.452 1.00 0.00 O ATOM 578 CB ASN A 70 -9.989 -8.159 0.700 1.00 0.00 C ATOM 579 CG ASN A 70 -9.704 -9.157 -0.423 1.00 0.00 C ATOM 580 OD1 ASN A 70 -10.640 -9.706 -0.996 1.00 0.00 O ATOM 581 ND2 ASN A 70 -8.443 -9.395 -0.759 1.00 0.00 N ATOM 0 H ASN A 70 -7.883 -6.634 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.642 -6.113 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.880 -8.673 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.029 -7.842 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.231 -10.050 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.686 -8.923 -0.264 1.00 0.00 H new ATOM 582 N PRO A 71 -7.343 -6.159 2.321 1.00 0.00 N ATOM 583 CA PRO A 71 -6.034 -6.226 2.958 1.00 0.00 C ATOM 584 C PRO A 71 -5.975 -7.329 4.008 1.00 0.00 C ATOM 585 O PRO A 71 -5.139 -8.224 3.930 1.00 0.00 O ATOM 586 CB PRO A 71 -5.749 -4.834 3.535 1.00 0.00 C ATOM 587 CG PRO A 71 -7.094 -4.112 3.534 1.00 0.00 C ATOM 588 CD PRO A 71 -7.950 -4.847 2.504 1.00 0.00 C ATOM 0 HA PRO A 71 -5.260 -6.490 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.341 -4.903 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.016 -4.300 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.556 -4.141 4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.976 -3.062 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.979 -4.941 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.980 -4.299 1.562 1.00 0.00 H new HETATM 589 N M3L A 72 -6.892 -7.294 4.976 1.00 0.00 N HETATM 590 CA M3L A 72 -6.911 -8.235 6.094 1.00 0.00 C HETATM 591 CB M3L A 72 -7.868 -7.704 7.177 1.00 0.00 C HETATM 592 CG M3L A 72 -7.812 -8.516 8.481 1.00 0.00 C HETATM 593 CD M3L A 72 -8.632 -7.970 9.651 1.00 0.00 C HETATM 594 CE M3L A 72 -7.989 -6.704 10.254 1.00 0.00 C HETATM 595 NZ M3L A 72 -8.858 -5.498 10.248 1.00 0.00 N HETATM 596 C M3L A 72 -7.204 -9.680 5.674 1.00 0.00 C HETATM 597 O M3L A 72 -7.031 -10.600 6.468 1.00 0.00 O HETATM 598 CM1 M3L A 72 -8.093 -4.387 10.868 1.00 0.00 C HETATM 599 CM2 M3L A 72 -9.201 -5.119 8.857 1.00 0.00 C HETATM 600 CM3 M3L A 72 -10.095 -5.717 11.037 1.00 0.00 C HETATM 0 HM33 M3L A 72 -10.656 -6.549 10.611 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -9.832 -5.948 12.069 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -10.707 -4.816 11.011 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -8.288 -4.902 8.303 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -9.730 -5.941 8.376 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -9.838 -4.234 8.867 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -7.825 -4.656 11.890 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -7.186 -4.203 10.291 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -8.705 -3.485 10.879 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -8.151 -9.530 8.268 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -6.771 -8.588 8.796 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -7.695 -6.917 11.282 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -7.076 -6.479 9.702 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -9.642 -7.739 9.312 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -8.722 -8.736 10.422 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -7.622 -6.664 7.393 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -8.887 -7.717 6.791 1.00 0.00 H new HETATM 0 HA M3L A 72 -5.907 -8.293 6.515 1.00 0.00 H new HETATM 0 H M3L A 72 -7.462 -6.449 5.011 1.00 0.00 H new ATOM 601 N LYS A 73 -7.628 -9.893 4.428 1.00 0.00 N ATOM 602 CA LYS A 73 -7.804 -11.228 3.887 1.00 0.00 C ATOM 603 C LYS A 73 -6.450 -11.689 3.365 1.00 0.00 C ATOM 604 O LYS A 73 -6.016 -12.809 3.622 1.00 0.00 O ATOM 605 CB LYS A 73 -8.844 -11.193 2.762 1.00 0.00 C ATOM 606 CG LYS A 73 -9.276 -12.611 2.373 1.00 0.00 C ATOM 607 CD LYS A 73 -10.166 -12.568 1.122 1.00 0.00 C ATOM 608 CE LYS A 73 -10.758 -13.943 0.781 1.00 0.00 C ATOM 609 NZ LYS A 73 -9.719 -14.960 0.511 1.00 0.00 N ATOM 0 H LYS A 73 -7.856 -9.145 3.773 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.163 -11.920 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.713 -10.619 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.428 -10.684 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.398 -13.228 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.817 -13.074 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.975 -11.855 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.582 -12.206 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.384 -14.280 1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.405 -13.849 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.173 -15.864 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.126 -14.647 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.127 -15.085 1.357 1.00 0.00 H new ATOM 610 N TYR A 74 -5.808 -10.812 2.593 1.00 0.00 N ATOM 611 CA TYR A 74 -4.563 -11.114 1.918 1.00 0.00 C ATOM 612 C TYR A 74 -3.405 -11.247 2.915 1.00 0.00 C ATOM 613 O TYR A 74 -2.568 -12.135 2.762 1.00 0.00 O ATOM 614 CB TYR A 74 -4.321 -10.040 0.858 1.00 0.00 C ATOM 615 CG TYR A 74 -3.266 -10.412 -0.158 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.590 -11.319 -1.183 1.00 0.00 C ATOM 617 CD2 TYR A 74 -1.958 -9.907 -0.058 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.614 -11.710 -2.112 1.00 0.00 C ATOM 619 CE2 TYR A 74 -0.982 -10.298 -0.989 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.306 -11.218 -2.002 1.00 0.00 C ATOM 621 OH TYR A 74 -0.336 -11.718 -2.815 1.00 0.00 O ATOM 0 H TYR A 74 -6.148 -9.865 2.422 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.626 -12.082 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.258 -9.838 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.025 -9.115 1.353 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.592 -11.715 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.704 -9.219 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.870 -12.390 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.017 -9.892 -0.927 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.735 -12.001 -3.664 1.00 0.00 H new ATOM 622 N ILE A 75 -3.367 -10.393 3.948 1.00 0.00 N ATOM 623 CA ILE A 75 -2.415 -10.513 5.055 1.00 0.00 C ATOM 624 C ILE A 75 -3.211 -10.886 6.313 1.00 0.00 C ATOM 625 O ILE A 75 -3.821 -10.007 6.927 1.00 0.00 O ATOM 626 CB ILE A 75 -1.586 -9.225 5.262 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.925 -8.698 3.976 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.510 -9.458 6.338 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.150 -9.595 3.357 1.00 0.00 C ATOM 0 H ILE A 75 -3.999 -9.598 4.037 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.685 -11.289 4.826 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.292 -8.460 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.704 -8.533 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.479 -7.727 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.069 -8.545 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.989 -9.731 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.153 -10.263 6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.544 -9.123 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.958 -9.742 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.286 -10.560 3.099 1.00 0.00 H new ATOM 630 N PRO A 76 -3.242 -12.171 6.714 1.00 0.00 N ATOM 631 CA PRO A 76 -4.086 -12.643 7.803 1.00 0.00 C ATOM 632 C PRO A 76 -3.475 -12.272 9.160 1.00 0.00 C ATOM 633 O PRO A 76 -3.017 -13.133 9.907 1.00 0.00 O ATOM 634 CB PRO A 76 -4.190 -14.157 7.588 1.00 0.00 C ATOM 635 CG PRO A 76 -2.838 -14.504 6.968 1.00 0.00 C ATOM 636 CD PRO A 76 -2.551 -13.288 6.086 1.00 0.00 C ATOM 0 HA PRO A 76 -5.075 -12.185 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.353 -14.688 8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.017 -14.416 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.068 -14.644 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.884 -15.425 6.386 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.480 -13.097 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.910 -13.449 5.070 1.00 0.00 H new ATOM 637 N GLY A 77 -3.475 -10.976 9.479 1.00 0.00 N ATOM 638 CA GLY A 77 -2.925 -10.443 10.715 1.00 0.00 C ATOM 639 C GLY A 77 -2.357 -9.059 10.440 1.00 0.00 C ATOM 640 O GLY A 77 -1.144 -8.886 10.332 1.00 0.00 O ATOM 0 H GLY A 77 -3.866 -10.258 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.699 -10.388 11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.145 -11.102 11.097 1.00 0.00 H new ATOM 641 N THR A 78 -3.243 -8.072 10.299 1.00 0.00 N ATOM 642 CA THR A 78 -2.850 -6.716 9.968 1.00 0.00 C ATOM 643 C THR A 78 -3.694 -5.710 10.742 1.00 0.00 C ATOM 644 O THR A 78 -4.888 -5.921 10.970 1.00 0.00 O ATOM 645 CB THR A 78 -2.915 -6.494 8.451 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.455 -5.202 8.180 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.313 -6.629 7.853 1.00 0.00 C ATOM 0 H THR A 78 -4.249 -8.197 10.412 1.00 0.00 H new ATOM 0 HA THR A 78 -1.814 -6.560 10.270 1.00 0.00 H new ATOM 0 HB THR A 78 -2.302 -7.272 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.487 -5.039 7.214 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.267 -6.457 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.695 -7.632 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.977 -5.895 8.310 1.00 0.00 H new ATOM 648 N LYS A 79 -3.058 -4.601 11.122 1.00 0.00 N ATOM 649 CA LYS A 79 -3.703 -3.443 11.718 1.00 0.00 C ATOM 650 C LYS A 79 -4.463 -2.630 10.658 1.00 0.00 C ATOM 651 O LYS A 79 -5.222 -1.729 11.011 1.00 0.00 O ATOM 652 CB LYS A 79 -2.621 -2.619 12.437 1.00 0.00 C ATOM 653 CG LYS A 79 -3.166 -1.335 13.073 1.00 0.00 C ATOM 654 CD LYS A 79 -2.124 -0.731 14.027 1.00 0.00 C ATOM 655 CE LYS A 79 -2.489 0.690 14.484 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.793 0.752 15.177 1.00 0.00 N ATOM 0 H LYS A 79 -2.050 -4.486 11.018 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.454 -3.751 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.159 -3.233 13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.837 -2.360 11.725 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.418 -0.614 12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.085 -1.552 13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.022 -1.374 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.153 -0.710 13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.711 1.064 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.512 1.351 13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.988 1.733 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.543 0.422 14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.767 0.144 16.021 1.00 0.00 H new ATOM 657 N ALA A 80 -4.248 -2.917 9.369 1.00 0.00 N ATOM 658 CA ALA A 80 -4.799 -2.169 8.249 1.00 0.00 C ATOM 659 C ALA A 80 -6.333 -2.183 8.195 1.00 0.00 C ATOM 660 O ALA A 80 -6.940 -2.898 7.399 1.00 0.00 O ATOM 661 CB ALA A 80 -4.200 -2.714 6.955 1.00 0.00 C ATOM 0 H ALA A 80 -3.667 -3.702 9.075 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.527 -1.122 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.604 -2.162 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.116 -2.600 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.451 -3.770 6.854 1.00 0.00 H new ATOM 662 N ALA A 81 -6.973 -1.354 9.021 1.00 0.00 N ATOM 663 CA ALA A 81 -8.408 -1.104 8.998 1.00 0.00 C ATOM 664 C ALA A 81 -8.796 -0.263 7.775 1.00 0.00 C ATOM 665 O ALA A 81 -9.293 0.851 7.920 1.00 0.00 O ATOM 666 CB ALA A 81 -8.819 -0.428 10.312 1.00 0.00 C ATOM 0 H ALA A 81 -6.489 -0.824 9.745 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.945 -2.049 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.892 -0.237 10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.574 -1.081 11.149 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.284 0.516 10.419 1.00 0.00 H new ATOM 667 N PHE A 82 -8.572 -0.804 6.575 1.00 0.00 N ATOM 668 CA PHE A 82 -8.944 -0.191 5.306 1.00 0.00 C ATOM 669 C PHE A 82 -10.030 -1.044 4.638 1.00 0.00 C ATOM 670 O PHE A 82 -9.992 -2.271 4.714 1.00 0.00 O ATOM 671 CB PHE A 82 -7.694 -0.026 4.430 1.00 0.00 C ATOM 672 CG PHE A 82 -7.984 0.440 3.016 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.798 1.569 2.796 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.552 -0.330 1.921 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.303 1.828 1.511 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.040 -0.059 0.633 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.955 0.989 0.440 1.00 0.00 C ATOM 0 H PHE A 82 -8.113 -1.708 6.461 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.358 0.805 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.022 0.689 4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.166 -0.979 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.033 2.234 3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.844 -1.131 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.958 2.671 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.713 -0.654 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.392 1.150 -0.534 1.00 0.00 H new ATOM 678 N GLY A 83 -11.024 -0.386 4.030 1.00 0.00 N ATOM 679 CA GLY A 83 -12.251 -1.012 3.547 1.00 0.00 C ATOM 680 C GLY A 83 -12.068 -1.838 2.273 1.00 0.00 C ATOM 681 O GLY A 83 -12.825 -2.779 2.040 1.00 0.00 O ATOM 0 H GLY A 83 -10.993 0.619 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.651 -1.655 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.994 -0.236 3.361 1.00 0.00 H new ATOM 682 N GLY A 84 -11.087 -1.479 1.438 1.00 0.00 N ATOM 683 CA GLY A 84 -10.771 -2.206 0.217 1.00 0.00 C ATOM 684 C GLY A 84 -11.340 -1.511 -1.029 1.00 0.00 C ATOM 685 O GLY A 84 -12.544 -1.264 -1.116 1.00 0.00 O ATOM 0 H GLY A 84 -10.489 -0.668 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.689 -2.298 0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.172 -3.217 0.283 1.00 0.00 H new ATOM 686 N LEU A 85 -10.492 -1.202 -2.018 1.00 0.00 N ATOM 687 CA LEU A 85 -10.901 -0.549 -3.261 1.00 0.00 C ATOM 688 C LEU A 85 -11.575 -1.545 -4.214 1.00 0.00 C ATOM 689 O LEU A 85 -11.030 -1.872 -5.266 1.00 0.00 O ATOM 690 CB LEU A 85 -9.710 0.140 -3.953 1.00 0.00 C ATOM 691 CG LEU A 85 -9.135 1.404 -3.298 1.00 0.00 C ATOM 692 CD1 LEU A 85 -8.195 2.113 -4.279 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.220 2.403 -2.869 1.00 0.00 C ATOM 0 H LEU A 85 -9.493 -1.402 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.629 0.219 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.904 -0.589 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.015 0.398 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.604 1.075 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.789 3.010 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.379 1.443 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.748 2.391 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.752 3.275 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.794 2.714 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.886 1.930 -2.147 1.00 0.00 H new ATOM 694 N LYS A 86 -12.798 -1.973 -3.886 1.00 0.00 N ATOM 695 CA LYS A 86 -13.611 -2.808 -4.765 1.00 0.00 C ATOM 696 C LYS A 86 -13.839 -2.162 -6.145 1.00 0.00 C ATOM 697 O LYS A 86 -13.945 -2.873 -7.139 1.00 0.00 O ATOM 698 CB LYS A 86 -14.963 -3.105 -4.101 1.00 0.00 C ATOM 699 CG LYS A 86 -14.947 -4.224 -3.046 1.00 0.00 C ATOM 700 CD LYS A 86 -14.430 -3.754 -1.677 1.00 0.00 C ATOM 701 CE LYS A 86 -14.699 -4.764 -0.550 1.00 0.00 C ATOM 702 NZ LYS A 86 -16.142 -4.985 -0.307 1.00 0.00 N ATOM 0 H LYS A 86 -13.250 -1.747 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.062 -3.736 -4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.327 -2.191 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.680 -3.371 -4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.956 -4.621 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.322 -5.042 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.358 -3.571 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.900 -2.804 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.228 -5.715 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.231 -4.409 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.271 -5.463 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.636 -4.070 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.535 -5.577 -1.066 1.00 0.00 H new ATOM 703 N LYS A 87 -13.949 -0.828 -6.197 1.00 0.00 N ATOM 704 CA LYS A 87 -14.177 -0.035 -7.407 1.00 0.00 C ATOM 705 C LYS A 87 -13.367 -0.517 -8.619 1.00 0.00 C ATOM 706 O LYS A 87 -13.869 -0.575 -9.739 1.00 0.00 O ATOM 707 CB LYS A 87 -13.800 1.416 -7.106 1.00 0.00 C ATOM 708 CG LYS A 87 -14.888 2.208 -6.372 1.00 0.00 C ATOM 709 CD LYS A 87 -16.032 2.584 -7.332 1.00 0.00 C ATOM 710 CE LYS A 87 -16.355 4.089 -7.349 1.00 0.00 C ATOM 711 NZ LYS A 87 -15.204 4.927 -7.750 1.00 0.00 N ATOM 0 H LYS A 87 -13.878 -0.250 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.229 -0.141 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.891 1.426 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.568 1.921 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.281 1.615 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.458 3.112 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.767 2.267 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.928 2.032 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.183 4.269 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.690 4.393 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.548 5.844 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.584 5.081 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.670 4.447 -8.502 1.00 0.00 H new ATOM 712 N GLU A 88 -12.073 -0.738 -8.400 1.00 0.00 N ATOM 713 CA GLU A 88 -11.079 -1.242 -9.328 1.00 0.00 C ATOM 714 C GLU A 88 -10.605 -0.183 -10.326 1.00 0.00 C ATOM 715 O GLU A 88 -9.413 -0.062 -10.596 1.00 0.00 O ATOM 716 CB GLU A 88 -11.488 -2.567 -9.992 1.00 0.00 C ATOM 717 CG GLU A 88 -10.176 -3.325 -10.213 1.00 0.00 C ATOM 718 CD GLU A 88 -10.276 -4.675 -10.897 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.323 -4.951 -11.513 1.00 0.00 O ATOM 720 OE2 GLU A 88 -9.241 -5.382 -10.802 1.00 0.00 O ATOM 0 H GLU A 88 -11.663 -0.550 -7.485 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.205 -1.484 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.168 -3.133 -9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.006 -2.392 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.513 -2.693 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.699 -3.469 -9.244 1.00 0.00 H new ATOM 721 N LYS A 89 -11.529 0.629 -10.830 1.00 0.00 N ATOM 722 CA LYS A 89 -11.189 1.794 -11.643 1.00 0.00 C ATOM 723 C LYS A 89 -10.217 2.683 -10.870 1.00 0.00 C ATOM 724 O LYS A 89 -9.054 2.849 -11.239 1.00 0.00 O ATOM 725 CB LYS A 89 -12.450 2.562 -12.029 1.00 0.00 C ATOM 726 CG LYS A 89 -13.186 1.981 -13.241 1.00 0.00 C ATOM 727 CD LYS A 89 -12.309 2.092 -14.500 1.00 0.00 C ATOM 728 CE LYS A 89 -13.148 2.362 -15.757 1.00 0.00 C ATOM 729 NZ LYS A 89 -12.300 2.546 -16.954 1.00 0.00 N ATOM 0 H LYS A 89 -12.531 0.500 -10.688 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.708 1.466 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.129 2.577 -11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.182 3.597 -12.241 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.438 0.937 -13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.125 2.513 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.583 2.895 -14.368 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.744 1.170 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.834 1.531 -15.922 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.757 3.252 -15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.903 2.726 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.663 3.355 -16.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.737 1.687 -17.116 1.00 0.00 H new ATOM 730 N ASP A 90 -10.724 3.209 -9.759 1.00 0.00 N ATOM 731 CA ASP A 90 -10.018 3.990 -8.767 1.00 0.00 C ATOM 732 C ASP A 90 -8.680 3.345 -8.446 1.00 0.00 C ATOM 733 O ASP A 90 -7.636 3.986 -8.488 1.00 0.00 O ATOM 734 CB ASP A 90 -10.886 4.023 -7.500 1.00 0.00 C ATOM 735 CG ASP A 90 -12.300 4.554 -7.700 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.933 4.189 -8.718 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.839 5.216 -6.786 1.00 0.00 O ATOM 0 H ASP A 90 -11.708 3.088 -9.518 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.834 4.997 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.948 3.013 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.386 4.638 -6.751 1.00 0.00 H new ATOM 738 N ARG A 91 -8.745 2.054 -8.120 1.00 0.00 N ATOM 739 CA ARG A 91 -7.577 1.233 -7.845 1.00 0.00 C ATOM 740 C ARG A 91 -6.550 1.354 -8.967 1.00 0.00 C ATOM 741 O ARG A 91 -5.382 1.567 -8.689 1.00 0.00 O ATOM 742 CB ARG A 91 -7.969 -0.233 -7.639 1.00 0.00 C ATOM 743 CG ARG A 91 -6.886 -1.026 -6.908 1.00 0.00 C ATOM 744 CD ARG A 91 -6.959 -2.529 -7.219 1.00 0.00 C ATOM 745 NE ARG A 91 -6.607 -2.817 -8.625 1.00 0.00 N ATOM 746 CZ ARG A 91 -7.124 -3.835 -9.333 1.00 0.00 C ATOM 747 NH1 ARG A 91 -7.690 -4.875 -8.727 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.139 -3.815 -10.663 1.00 0.00 N ATOM 0 H ARG A 91 -9.626 1.546 -8.040 1.00 0.00 H new ATOM 0 HA ARG A 91 -7.126 1.599 -6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.898 -0.282 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.163 -0.694 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.905 -0.645 -7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.989 -0.873 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.283 -3.070 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.966 -2.894 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.932 -2.207 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.737 -4.908 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.077 -5.639 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.753 -3.016 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.537 -4.599 -11.180 1.00 0.00 H new ATOM 749 N ASN A 92 -6.946 1.201 -10.227 1.00 0.00 N ATOM 750 CA ASN A 92 -5.986 1.245 -11.328 1.00 0.00 C ATOM 751 C ASN A 92 -5.351 2.631 -11.455 1.00 0.00 C ATOM 752 O ASN A 92 -4.137 2.720 -11.673 1.00 0.00 O ATOM 753 CB ASN A 92 -6.617 0.792 -12.651 1.00 0.00 C ATOM 754 CG ASN A 92 -7.079 -0.663 -12.607 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.574 -1.468 -11.827 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.037 -1.029 -13.452 1.00 0.00 N ATOM 0 H ASN A 92 -7.914 1.047 -10.511 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.190 0.538 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.467 1.433 -12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.894 0.917 -13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.367 -1.994 -13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.442 -0.345 -14.091 1.00 0.00 H new ATOM 757 N ASP A 93 -6.143 3.705 -11.308 1.00 0.00 N ATOM 758 CA ASP A 93 -5.590 5.061 -11.295 1.00 0.00 C ATOM 759 C ASP A 93 -4.545 5.154 -10.175 1.00 0.00 C ATOM 760 O ASP A 93 -3.373 5.468 -10.386 1.00 0.00 O ATOM 761 CB ASP A 93 -6.705 6.101 -11.081 1.00 0.00 C ATOM 762 CG ASP A 93 -7.247 6.717 -12.364 1.00 0.00 C ATOM 763 OD1 ASP A 93 -6.431 7.283 -13.122 1.00 0.00 O ATOM 764 OD2 ASP A 93 -8.485 6.686 -12.548 1.00 0.00 O ATOM 0 H ASP A 93 -7.156 3.659 -11.198 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.120 5.273 -12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.527 5.628 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.324 6.898 -10.443 1.00 0.00 H new ATOM 765 N LEU A 94 -4.999 4.853 -8.962 1.00 0.00 N ATOM 766 CA LEU A 94 -4.217 4.897 -7.742 1.00 0.00 C ATOM 767 C LEU A 94 -2.917 4.101 -7.884 1.00 0.00 C ATOM 768 O LEU A 94 -1.827 4.658 -7.761 1.00 0.00 O ATOM 769 CB LEU A 94 -5.112 4.393 -6.605 1.00 0.00 C ATOM 770 CG LEU A 94 -4.371 4.182 -5.287 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.519 5.388 -4.886 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.357 3.918 -4.177 1.00 0.00 C ATOM 0 H LEU A 94 -5.963 4.560 -8.801 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.899 5.916 -7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.920 5.107 -6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.573 3.452 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.710 3.329 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.016 5.180 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.775 5.581 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.158 6.263 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.819 3.769 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.029 4.770 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.936 3.024 -4.409 1.00 0.00 H new ATOM 773 N ILE A 95 -3.007 2.799 -8.135 1.00 0.00 N ATOM 774 CA ILE A 95 -1.851 1.950 -8.287 1.00 0.00 C ATOM 775 C ILE A 95 -0.936 2.439 -9.411 1.00 0.00 C ATOM 776 O ILE A 95 0.275 2.377 -9.243 1.00 0.00 O ATOM 777 CB ILE A 95 -2.304 0.501 -8.458 1.00 0.00 C ATOM 778 CG1 ILE A 95 -3.016 0.038 -7.168 1.00 0.00 C ATOM 779 CG2 ILE A 95 -1.081 -0.371 -8.745 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.514 -1.394 -7.290 1.00 0.00 C ATOM 0 H ILE A 95 -3.895 2.308 -8.238 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.242 1.999 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.001 0.415 -9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.330 0.115 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.856 0.700 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.394 -1.408 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.595 -0.027 -9.658 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.380 -0.300 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.010 -1.687 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.220 -1.465 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.670 -2.058 -7.475 1.00 0.00 H new ATOM 781 N THR A 96 -1.459 2.956 -10.530 1.00 0.00 N ATOM 782 CA THR A 96 -0.582 3.596 -11.511 1.00 0.00 C ATOM 783 C THR A 96 0.255 4.700 -10.860 1.00 0.00 C ATOM 784 O THR A 96 1.482 4.709 -11.000 1.00 0.00 O ATOM 785 CB THR A 96 -1.372 4.149 -12.706 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.985 3.094 -13.422 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.433 4.950 -13.613 1.00 0.00 C ATOM 0 H THR A 96 -2.450 2.945 -10.772 1.00 0.00 H new ATOM 0 HA THR A 96 0.094 2.829 -11.889 1.00 0.00 H new ATOM 0 HB THR A 96 -2.159 4.810 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.794 2.806 -12.951 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.994 5.343 -14.461 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.001 5.777 -13.050 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.365 4.301 -13.974 1.00 0.00 H new ATOM 788 N TYR A 97 -0.397 5.634 -10.162 1.00 0.00 N ATOM 789 CA TYR A 97 0.321 6.691 -9.468 1.00 0.00 C ATOM 790 C TYR A 97 1.372 6.082 -8.542 1.00 0.00 C ATOM 791 O TYR A 97 2.538 6.461 -8.614 1.00 0.00 O ATOM 792 CB TYR A 97 -0.648 7.606 -8.713 1.00 0.00 C ATOM 793 CG TYR A 97 0.011 8.501 -7.685 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.677 9.669 -8.095 1.00 0.00 C ATOM 795 CD2 TYR A 97 0.007 8.137 -6.325 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.281 10.505 -7.140 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.632 8.960 -5.374 1.00 0.00 C ATOM 798 CZ TYR A 97 1.249 10.156 -5.779 1.00 0.00 C ATOM 799 OH TYR A 97 1.766 11.011 -4.853 1.00 0.00 O ATOM 0 H TYR A 97 -1.412 5.675 -10.066 1.00 0.00 H new ATOM 0 HA TYR A 97 0.837 7.313 -10.200 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.177 8.229 -9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.397 6.990 -8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.725 9.924 -9.143 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.477 7.224 -6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.770 11.416 -7.452 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.638 8.674 -4.333 1.00 0.00 H new ATOM 0 HH TYR A 97 1.553 10.687 -3.953 1.00 0.00 H new ATOM 800 N LEU A 98 0.969 5.138 -7.690 1.00 0.00 N ATOM 801 CA LEU A 98 1.854 4.522 -6.712 1.00 0.00 C ATOM 802 C LEU A 98 3.061 3.872 -7.384 1.00 0.00 C ATOM 803 O LEU A 98 4.191 4.092 -6.961 1.00 0.00 O ATOM 804 CB LEU A 98 1.082 3.492 -5.874 1.00 0.00 C ATOM 805 CG LEU A 98 1.065 3.806 -4.369 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.372 3.937 -3.878 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.744 2.705 -3.564 1.00 0.00 C ATOM 0 H LEU A 98 0.014 4.781 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 98 2.227 5.306 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.055 3.438 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.525 2.508 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 98 1.606 4.742 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.373 4.159 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.869 4.744 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.903 3.002 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.715 2.958 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.223 1.762 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.781 2.606 -3.885 1.00 0.00 H new ATOM 808 N LYS A 99 2.823 3.068 -8.423 1.00 0.00 N ATOM 809 CA LYS A 99 3.850 2.367 -9.168 1.00 0.00 C ATOM 810 C LYS A 99 4.968 3.334 -9.547 1.00 0.00 C ATOM 811 O LYS A 99 6.141 3.048 -9.325 1.00 0.00 O ATOM 812 CB LYS A 99 3.228 1.663 -10.389 1.00 0.00 C ATOM 813 CG LYS A 99 4.322 0.904 -11.154 1.00 0.00 C ATOM 814 CD LYS A 99 3.762 0.018 -12.278 1.00 0.00 C ATOM 815 CE LYS A 99 4.886 -0.846 -12.886 1.00 0.00 C ATOM 816 NZ LYS A 99 4.608 -1.314 -14.267 1.00 0.00 N ATOM 0 H LYS A 99 1.882 2.887 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 99 4.297 1.590 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.449 0.972 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.754 2.396 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.025 1.621 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.883 0.284 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.972 -0.623 -11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.313 0.640 -13.052 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.812 -0.271 -12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.051 -1.713 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.197 -2.145 -14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.604 -1.571 -14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.829 -0.554 -14.942 1.00 0.00 H new ATOM 817 N LYS A 100 4.594 4.478 -10.119 1.00 0.00 N ATOM 818 CA LYS A 100 5.548 5.487 -10.541 1.00 0.00 C ATOM 819 C LYS A 100 6.161 6.180 -9.321 1.00 0.00 C ATOM 820 O LYS A 100 7.377 6.221 -9.172 1.00 0.00 O ATOM 821 CB LYS A 100 4.839 6.461 -11.499 1.00 0.00 C ATOM 822 CG LYS A 100 5.744 6.892 -12.661 1.00 0.00 C ATOM 823 CD LYS A 100 6.556 8.154 -12.325 1.00 0.00 C ATOM 824 CE LYS A 100 5.781 9.439 -12.652 1.00 0.00 C ATOM 825 NZ LYS A 100 5.707 9.691 -14.108 1.00 0.00 N ATOM 0 H LYS A 100 3.621 4.725 -10.300 1.00 0.00 H new ATOM 0 HA LYS A 100 6.380 5.035 -11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.941 5.988 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.517 7.343 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.426 6.079 -12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.134 7.079 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.816 8.147 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.492 8.143 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.772 9.366 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.262 10.286 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.360 10.657 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.653 9.585 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.056 9.008 -14.546 1.00 0.00 H new ATOM 826 N ALA A 101 5.301 6.717 -8.454 1.00 0.00 N ATOM 827 CA ALA A 101 5.659 7.478 -7.258 1.00 0.00 C ATOM 828 C ALA A 101 6.501 6.681 -6.254 1.00 0.00 C ATOM 829 O ALA A 101 7.102 7.257 -5.351 1.00 0.00 O ATOM 830 CB ALA A 101 4.377 7.988 -6.597 1.00 0.00 C ATOM 0 H ALA A 101 4.292 6.629 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 101 6.288 8.310 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.630 8.558 -5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.838 8.629 -7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.748 7.141 -6.322 1.00 0.00 H new ATOM 831 N SER A 102 6.532 5.353 -6.393 1.00 0.00 N ATOM 832 CA SER A 102 7.464 4.484 -5.692 1.00 0.00 C ATOM 833 C SER A 102 8.903 4.977 -5.885 1.00 0.00 C ATOM 834 O SER A 102 9.701 4.860 -4.954 1.00 0.00 O ATOM 835 CB SER A 102 7.297 3.047 -6.211 1.00 0.00 C ATOM 836 OG SER A 102 7.851 2.088 -5.322 1.00 0.00 O ATOM 0 H SER A 102 5.895 4.848 -7.009 1.00 0.00 H new ATOM 0 HA SER A 102 7.250 4.502 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.238 2.836 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.777 2.956 -7.186 1.00 0.00 H new ATOM 0 HG SER A 102 8.435 1.479 -5.820 1.00 0.00 H new ATOM 837 N GLU A 103 9.216 5.472 -7.087 1.00 0.00 N ATOM 838 CA GLU A 103 10.516 6.002 -7.460 1.00 0.00 C ATOM 839 C GLU A 103 10.585 7.465 -6.999 1.00 0.00 C ATOM 840 O GLU A 103 11.511 7.796 -6.226 1.00 0.00 O ATOM 841 CB GLU A 103 10.662 5.869 -8.986 1.00 0.00 C ATOM 842 CG GLU A 103 12.120 5.841 -9.478 1.00 0.00 C ATOM 843 CD GLU A 103 12.837 4.514 -9.233 1.00 0.00 C ATOM 844 OE1 GLU A 103 12.146 3.519 -8.922 1.00 0.00 O ATOM 845 OE2 GLU A 103 14.075 4.512 -9.403 1.00 0.00 O ATOM 846 OXT GLU A 103 9.692 8.236 -7.422 1.00 0.00 O ATOM 0 H GLU A 103 8.540 5.513 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 103 11.335 5.458 -6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.163 4.956 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.145 6.701 -9.464 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.136 6.058 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.675 6.638 -8.983 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.677 -0.600 3.842 1.00 0.00 C HETATM 849 N CYN A 105 -4.575 -1.457 3.627 1.00 0.00 N HETATM 850 FE HEM A 104 -2.432 0.760 4.022 1.00 0.00 FE HETATM 851 CHA HEM A 104 -0.084 -1.558 5.216 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.207 0.292 0.817 1.00 0.00 C HETATM 853 CHC HEM A 104 -4.894 2.852 2.869 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.404 1.409 7.296 1.00 0.00 C HETATM 855 NA HEM A 104 -0.954 -0.480 3.157 1.00 0.00 N HETATM 856 C1A HEM A 104 -0.142 -1.342 3.844 1.00 0.00 C HETATM 857 C2A HEM A 104 0.744 -1.968 2.892 1.00 0.00 C HETATM 858 C3A HEM A 104 0.438 -1.449 1.652 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.630 -0.484 1.832 1.00 0.00 C HETATM 860 CMA HEM A 104 1.106 -1.857 0.360 1.00 0.00 C HETATM 861 CAA HEM A 104 1.835 -2.982 3.194 1.00 0.00 C HETATM 862 CBA HEM A 104 3.078 -2.409 3.892 1.00 0.00 C HETATM 863 CGA HEM A 104 4.202 -3.429 4.106 1.00 0.00 C HETATM 864 O1A HEM A 104 5.312 -2.985 4.467 1.00 0.00 O HETATM 865 O2A HEM A 104 3.963 -4.641 3.912 1.00 0.00 O HETATM 866 NB HEM A 104 -2.960 1.443 2.179 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.292 1.163 1.020 1.00 0.00 C HETATM 868 C2B HEM A 104 -2.889 1.975 -0.016 1.00 0.00 C HETATM 869 C3B HEM A 104 -3.951 2.655 0.547 1.00 0.00 C HETATM 870 C4B HEM A 104 -3.982 2.320 1.949 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.334 2.156 -1.410 1.00 0.00 C HETATM 872 CAB HEM A 104 -4.928 3.568 -0.163 1.00 0.00 C HETATM 873 CBB HEM A 104 -5.892 2.783 -1.051 1.00 0.00 C HETATM 874 NC HEM A 104 -3.937 1.879 4.922 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.821 2.646 4.240 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.670 3.308 5.199 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.211 2.965 6.454 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.136 2.010 6.266 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.716 4.347 4.864 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.546 3.665 7.760 1.00 0.00 C HETATM 881 CBC HEM A 104 -6.961 3.430 8.299 1.00 0.00 C HETATM 882 ND HEM A 104 -1.837 0.075 5.905 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.352 0.516 7.090 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.615 -0.121 8.156 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.670 -0.936 7.569 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.845 -0.836 6.140 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.845 0.100 9.635 1.00 0.00 C HETATM 888 CAD HEM A 104 0.288 -1.893 8.245 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.312 -3.292 8.205 1.00 0.00 C HETATM 890 CGD HEM A 104 0.651 -4.450 8.432 1.00 0.00 C HETATM 891 O1D HEM A 104 0.128 -5.458 8.953 1.00 0.00 O HETATM 892 O2D HEM A 104 1.829 -4.360 8.018 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.138 -2.144 0.559 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.091 -1.020 -0.338 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.572 -2.702 -0.075 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.153 2.331 -2.108 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -1.792 1.258 -1.705 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.657 3.010 -1.424 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -7.526 4.295 5.591 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -7.111 4.157 3.866 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -6.266 5.339 4.893 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.214 1.113 9.799 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.907 -0.036 10.173 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.580 -0.617 10.000 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.654 3.309 -1.626 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -5.817 1.697 -1.110 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.274 3.900 9.232 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.655 2.793 7.750 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 2.783 -2.001 4.859 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.463 -1.579 3.300 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 2.145 -3.450 2.259 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.415 -3.769 3.820 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.790 -3.431 7.235 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.097 -3.348 8.959 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.464 -1.586 9.276 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.254 -1.881 7.740 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.583 -2.322 5.587 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.794 0.216 -0.178 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.703 3.459 2.489 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.670 1.652 8.314 1.00 0.00 H new HETATM 0 HAB HEM A 104 -4.942 4.652 -0.054 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.825 4.295 8.281 1.00 0.00 H new