USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 171:sc= 0.618 USER MOD Set 1.2: A 80 MET CE :methyl -145:sc= -0.654 (180deg=-2.58!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 -72:sc= 0.624 USER MOD Single : A -2 LYS NZ :NH3+ 158:sc= -0.0626 (180deg=-0.61) USER MOD Single : A -5 THR N :NH3+ 171:sc= -0.661 (180deg=-1.17) USER MOD Single : A -5 THR OG1 : rot 8:sc= 0.884! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -70:sc= 0.957 USER MOD Single : A 16 GLN : amide:sc= -3.14! K(o=-3.1!,f=-0.88) USER MOD Single : A 19 THR OG1 : rot 78:sc= 0.927 USER MOD Single : A 22 LYS NZ :NH3+ 152:sc= -0.217 (180deg=-1.23) USER MOD Single : A 26 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00584) USER MOD Single : A 31 ASN : amide:sc= -1.62 K(o=-1.6,f=-3.3!) USER MOD Single : A 33 HIS : no HD1:sc= -7.77! C(o=-7.8!,f=-7.6!) USER MOD Single : A 39 HIS : no HD1:sc= -3.04! K(o=-3!,f=-2.1) USER MOD Single : A 40 SER OG : rot 140:sc= -0.288! USER MOD Single : A 42 GLN : amide:sc= -23.3! C(o=-23!,f=-22!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.486 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -151:sc= -0.739 USER MOD Single : A 49 THR OG1 : rot 79:sc= 0.207 USER MOD Single : A 52 ASN : amide:sc= -8.1! K(o=-8.1!,f=-5.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.4) USER MOD Single : A 62 ASN : amide:sc= -0.326 X(o=-0.33,f=0) USER MOD Single : A 63 ASN : amide:sc= -3.7! C(o=-3.7!,f=-2.9!) USER MOD Single : A 64 MET CE :methyl -147:sc= -0.222 (180deg=-1.35) USER MOD Single : A 65 SER OG : rot -75:sc= 1.15 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 70 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.7!) USER MOD Single : A 71 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -140:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.293 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.198 (180deg=-1.01) USER MOD Single : A 100 LYS NZ :NH3+ -118:sc= -0.0126 (180deg=-0.118) USER MOD Single : A 102 THR OG1 : rot -117:sc= -0.695 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 17.696 -1.426 -4.942 1.00 0.00 N ATOM 2 CA THR A -5 16.333 -0.954 -4.571 1.00 0.00 C ATOM 3 C THR A -5 15.319 -2.072 -4.824 1.00 0.00 C ATOM 4 O THR A -5 14.146 -1.935 -4.542 1.00 0.00 O ATOM 5 CB THR A -5 15.966 0.267 -5.420 1.00 0.00 C ATOM 6 OG1 THR A -5 14.557 0.445 -5.406 1.00 0.00 O ATOM 7 CG2 THR A -5 16.442 0.052 -6.857 1.00 0.00 C ATOM 0 H1 THR A -5 18.360 -0.626 -4.916 1.00 0.00 H new ATOM 0 H2 THR A -5 18.006 -2.155 -4.268 1.00 0.00 H new ATOM 0 H3 THR A -5 17.675 -1.828 -5.901 1.00 0.00 H new ATOM 0 HA THR A -5 16.319 -0.681 -3.516 1.00 0.00 H new ATOM 0 HB THR A -5 16.448 1.154 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A -5 14.156 -0.167 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A -5 16.181 0.921 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A -5 17.523 -0.084 -6.866 1.00 0.00 H new ATOM 0 HG23 THR A -5 15.962 -0.835 -7.271 1.00 0.00 H new ATOM 17 N GLU A -4 15.762 -3.178 -5.356 1.00 0.00 N ATOM 18 CA GLU A -4 14.824 -4.303 -5.627 1.00 0.00 C ATOM 19 C GLU A -4 14.137 -4.720 -4.324 1.00 0.00 C ATOM 20 O GLU A -4 14.735 -4.711 -3.266 1.00 0.00 O ATOM 21 CB GLU A -4 15.602 -5.490 -6.198 1.00 0.00 C ATOM 22 CG GLU A -4 16.248 -5.087 -7.524 1.00 0.00 C ATOM 23 CD GLU A -4 16.960 -6.295 -8.133 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.072 -7.300 -7.449 1.00 0.00 O ATOM 25 OE2 GLU A -4 17.382 -6.197 -9.274 1.00 0.00 O ATOM 0 H GLU A -4 16.733 -3.351 -5.615 1.00 0.00 H new ATOM 0 HA GLU A -4 14.071 -3.983 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.367 -5.811 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A -4 14.933 -6.337 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A -4 15.489 -4.714 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A -4 16.958 -4.276 -7.363 1.00 0.00 H new ATOM 32 N PHE A -3 12.886 -5.086 -4.393 1.00 0.00 N ATOM 33 CA PHE A -3 12.164 -5.503 -3.158 1.00 0.00 C ATOM 34 C PHE A -3 12.075 -7.028 -3.102 1.00 0.00 C ATOM 35 O PHE A -3 11.572 -7.663 -4.006 1.00 0.00 O ATOM 36 CB PHE A -3 10.751 -4.911 -3.172 1.00 0.00 C ATOM 37 CG PHE A -3 9.810 -5.815 -2.406 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.183 -6.333 -1.158 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.560 -6.137 -2.948 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.306 -7.170 -0.457 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.685 -6.974 -2.247 1.00 0.00 C ATOM 42 CZ PHE A -3 8.059 -7.491 -1.002 1.00 0.00 C ATOM 0 H PHE A -3 12.334 -5.114 -5.250 1.00 0.00 H new ATOM 0 HA PHE A -3 12.705 -5.141 -2.284 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.759 -3.917 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.405 -4.797 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.147 -6.087 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.271 -5.739 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.593 -7.568 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.721 -7.221 -2.667 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.384 -8.138 -0.462 1.00 0.00 H new ATOM 52 N LYS A -2 12.548 -7.612 -2.035 1.00 0.00 N ATOM 53 CA LYS A -2 12.483 -9.091 -1.898 1.00 0.00 C ATOM 54 C LYS A -2 11.478 -9.440 -0.802 1.00 0.00 C ATOM 55 O LYS A -2 11.482 -8.857 0.263 1.00 0.00 O ATOM 56 CB LYS A -2 13.863 -9.636 -1.525 1.00 0.00 C ATOM 57 CG LYS A -2 14.839 -9.381 -2.676 1.00 0.00 C ATOM 58 CD LYS A -2 16.187 -10.032 -2.357 1.00 0.00 C ATOM 59 CE LYS A -2 17.189 -9.699 -3.465 1.00 0.00 C ATOM 60 NZ LYS A -2 17.452 -8.232 -3.475 1.00 0.00 N ATOM 0 H LYS A -2 12.978 -7.124 -1.250 1.00 0.00 H new ATOM 0 HA LYS A -2 12.170 -9.537 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.222 -9.155 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A -2 13.800 -10.704 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS A -2 14.437 -9.788 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.968 -8.309 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.558 -9.674 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.070 -11.112 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A -2 18.119 -10.245 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A -2 16.797 -10.015 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 18.365 -8.046 -3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 16.694 -7.747 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.480 -7.878 -2.498 1.00 0.00 H new ATOM 74 N ALA A -1 10.613 -10.381 -1.053 1.00 0.00 N ATOM 75 CA ALA A -1 9.605 -10.753 -0.021 1.00 0.00 C ATOM 76 C ALA A -1 10.318 -11.175 1.265 1.00 0.00 C ATOM 77 O ALA A -1 10.757 -12.299 1.405 1.00 0.00 O ATOM 78 CB ALA A -1 8.752 -11.910 -0.539 1.00 0.00 C ATOM 0 H ALA A -1 10.559 -10.908 -1.925 1.00 0.00 H new ATOM 0 HA ALA A -1 8.965 -9.896 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.014 -12.184 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.242 -11.605 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.391 -12.768 -0.749 1.00 0.00 H new ATOM 84 N GLY A 1 10.430 -10.280 2.208 1.00 0.00 N ATOM 85 CA GLY A 1 11.107 -10.627 3.490 1.00 0.00 C ATOM 86 C GLY A 1 10.156 -11.453 4.355 1.00 0.00 C ATOM 87 O GLY A 1 9.756 -12.539 3.985 1.00 0.00 O ATOM 0 H GLY A 1 10.082 -9.323 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.019 -11.190 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.401 -9.719 4.017 1.00 0.00 H new ATOM 91 N SER A 2 9.785 -10.945 5.503 1.00 0.00 N ATOM 92 CA SER A 2 8.851 -11.701 6.387 1.00 0.00 C ATOM 93 C SER A 2 7.599 -10.859 6.639 1.00 0.00 C ATOM 94 O SER A 2 7.674 -9.670 6.875 1.00 0.00 O ATOM 95 CB SER A 2 9.542 -11.994 7.720 1.00 0.00 C ATOM 96 OG SER A 2 10.718 -12.757 7.482 1.00 0.00 O ATOM 0 H SER A 2 10.089 -10.041 5.865 1.00 0.00 H new ATOM 0 HA SER A 2 8.570 -12.638 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.796 -11.061 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.868 -12.540 8.380 1.00 0.00 H new ATOM 0 HG SER A 2 11.164 -12.945 8.334 1.00 0.00 H new ATOM 102 N ALA A 3 6.447 -11.470 6.591 1.00 0.00 N ATOM 103 CA ALA A 3 5.188 -10.709 6.829 1.00 0.00 C ATOM 104 C ALA A 3 5.052 -10.389 8.319 1.00 0.00 C ATOM 105 O ALA A 3 4.449 -9.408 8.701 1.00 0.00 O ATOM 106 CB ALA A 3 3.992 -11.550 6.377 1.00 0.00 C ATOM 0 H ALA A 3 6.323 -12.464 6.397 1.00 0.00 H new ATOM 0 HA ALA A 3 5.216 -9.779 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.070 -10.995 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.086 -11.774 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.967 -12.481 6.944 1.00 0.00 H new ATOM 112 N LYS A 4 5.598 -11.221 9.164 1.00 0.00 N ATOM 113 CA LYS A 4 5.488 -10.979 10.628 1.00 0.00 C ATOM 114 C LYS A 4 6.105 -9.628 10.972 1.00 0.00 C ATOM 115 O LYS A 4 5.513 -8.812 11.649 1.00 0.00 O ATOM 116 CB LYS A 4 6.258 -12.070 11.365 1.00 0.00 C ATOM 117 CG LYS A 4 5.769 -13.434 10.895 1.00 0.00 C ATOM 118 CD LYS A 4 6.364 -14.529 11.784 1.00 0.00 C ATOM 119 CE LYS A 4 7.887 -14.528 11.643 1.00 0.00 C ATOM 120 NZ LYS A 4 8.409 -15.904 11.882 1.00 0.00 N ATOM 0 H LYS A 4 6.116 -12.059 8.901 1.00 0.00 H new ATOM 0 HA LYS A 4 4.438 -10.988 10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.327 -11.969 11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.114 -11.970 12.441 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.680 -13.473 10.932 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.059 -13.597 9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.084 -14.360 12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.962 -15.502 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.170 -14.188 10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.328 -13.831 12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.445 -15.904 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.150 -16.212 12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.997 -16.557 11.186 1.00 0.00 H new ATOM 134 N LYS A 5 7.298 -9.393 10.514 1.00 0.00 N ATOM 135 CA LYS A 5 7.969 -8.101 10.815 1.00 0.00 C ATOM 136 C LYS A 5 7.167 -6.946 10.212 1.00 0.00 C ATOM 137 O LYS A 5 6.921 -5.948 10.858 1.00 0.00 O ATOM 138 CB LYS A 5 9.376 -8.114 10.219 1.00 0.00 C ATOM 139 CG LYS A 5 10.221 -9.175 10.927 1.00 0.00 C ATOM 140 CD LYS A 5 11.635 -9.181 10.341 1.00 0.00 C ATOM 141 CE LYS A 5 12.332 -7.857 10.662 1.00 0.00 C ATOM 142 NZ LYS A 5 13.762 -8.114 10.992 1.00 0.00 N ATOM 0 H LYS A 5 7.840 -10.041 9.942 1.00 0.00 H new ATOM 0 HA LYS A 5 8.029 -7.967 11.895 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.328 -8.326 9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.838 -7.133 10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.261 -8.968 11.997 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.763 -10.157 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.206 -10.013 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.591 -9.328 9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.260 -7.181 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.837 -7.367 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.235 -7.214 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.820 -8.744 11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.230 -8.563 10.179 1.00 0.00 H new ATOM 156 N GLY A 6 6.752 -7.072 8.981 1.00 0.00 N ATOM 157 CA GLY A 6 5.964 -5.976 8.350 1.00 0.00 C ATOM 158 C GLY A 6 4.625 -5.828 9.071 1.00 0.00 C ATOM 159 O GLY A 6 4.087 -4.743 9.184 1.00 0.00 O ATOM 0 H GLY A 6 6.924 -7.883 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.520 -5.040 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.798 -6.194 7.295 1.00 0.00 H new ATOM 163 N ALA A 7 4.077 -6.908 9.564 1.00 0.00 N ATOM 164 CA ALA A 7 2.773 -6.812 10.276 1.00 0.00 C ATOM 165 C ALA A 7 2.916 -5.809 11.417 1.00 0.00 C ATOM 166 O ALA A 7 2.058 -4.982 11.644 1.00 0.00 O ATOM 167 CB ALA A 7 2.390 -8.182 10.840 1.00 0.00 C ATOM 0 H ALA A 7 4.474 -7.845 9.504 1.00 0.00 H new ATOM 0 HA ALA A 7 1.995 -6.485 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.435 -8.107 11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.304 -8.900 10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.158 -8.516 11.538 1.00 0.00 H new ATOM 173 N THR A 8 4.010 -5.860 12.121 1.00 0.00 N ATOM 174 CA THR A 8 4.226 -4.894 13.226 1.00 0.00 C ATOM 175 C THR A 8 4.320 -3.499 12.620 1.00 0.00 C ATOM 176 O THR A 8 3.749 -2.545 13.109 1.00 0.00 O ATOM 177 CB THR A 8 5.542 -5.229 13.923 1.00 0.00 C ATOM 178 OG1 THR A 8 6.620 -5.007 13.024 1.00 0.00 O ATOM 179 CG2 THR A 8 5.532 -6.693 14.357 1.00 0.00 C ATOM 0 H THR A 8 4.764 -6.531 11.977 1.00 0.00 H new ATOM 0 HA THR A 8 3.409 -4.941 13.946 1.00 0.00 H new ATOM 0 HB THR A 8 5.662 -4.594 14.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.618 -5.702 12.333 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.472 -6.931 14.855 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.704 -6.863 15.045 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.413 -7.331 13.481 1.00 0.00 H new ATOM 187 N LEU A 9 5.038 -3.395 11.542 1.00 0.00 N ATOM 188 CA LEU A 9 5.194 -2.087 10.853 1.00 0.00 C ATOM 189 C LEU A 9 3.826 -1.576 10.393 1.00 0.00 C ATOM 190 O LEU A 9 3.494 -0.419 10.561 1.00 0.00 O ATOM 191 CB LEU A 9 6.090 -2.286 9.635 1.00 0.00 C ATOM 192 CG LEU A 9 7.475 -2.760 10.082 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.383 -2.875 8.864 1.00 0.00 C ATOM 194 CD2 LEU A 9 8.081 -1.752 11.063 1.00 0.00 C ATOM 0 H LEU A 9 5.531 -4.172 11.102 1.00 0.00 H new ATOM 0 HA LEU A 9 5.635 -1.361 11.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.645 -3.018 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.177 -1.352 9.080 1.00 0.00 H new ATOM 0 HG LEU A 9 7.381 -3.729 10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.371 -3.212 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.960 -3.593 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.468 -1.902 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.066 -2.097 11.376 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.174 -0.781 10.576 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.434 -1.660 11.936 1.00 0.00 H new ATOM 206 N PHE A 10 3.035 -2.430 9.804 1.00 0.00 N ATOM 207 CA PHE A 10 1.692 -2.000 9.321 1.00 0.00 C ATOM 208 C PHE A 10 0.777 -1.722 10.515 1.00 0.00 C ATOM 209 O PHE A 10 0.159 -0.679 10.611 1.00 0.00 O ATOM 210 CB PHE A 10 1.086 -3.122 8.471 1.00 0.00 C ATOM 211 CG PHE A 10 -0.153 -2.625 7.759 1.00 0.00 C ATOM 212 CD1 PHE A 10 -0.038 -2.023 6.499 1.00 0.00 C ATOM 213 CD2 PHE A 10 -1.413 -2.776 8.349 1.00 0.00 C ATOM 214 CE1 PHE A 10 -1.182 -1.572 5.832 1.00 0.00 C ATOM 215 CE2 PHE A 10 -2.559 -2.323 7.681 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.444 -1.721 6.421 1.00 0.00 C ATOM 0 H PHE A 10 3.261 -3.410 9.636 1.00 0.00 H new ATOM 0 HA PHE A 10 1.792 -1.092 8.726 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.817 -3.472 7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.834 -3.973 9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.934 -1.907 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.502 -3.242 9.319 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.092 -1.108 4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.531 -2.438 8.138 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.327 -1.373 5.905 1.00 0.00 H new ATOM 226 N LYS A 11 0.679 -2.654 11.423 1.00 0.00 N ATOM 227 CA LYS A 11 -0.199 -2.464 12.609 1.00 0.00 C ATOM 228 C LYS A 11 0.265 -1.259 13.428 1.00 0.00 C ATOM 229 O LYS A 11 -0.527 -0.573 14.042 1.00 0.00 O ATOM 230 CB LYS A 11 -0.148 -3.720 13.478 1.00 0.00 C ATOM 231 CG LYS A 11 -0.794 -4.890 12.732 1.00 0.00 C ATOM 232 CD LYS A 11 -0.824 -6.119 13.643 1.00 0.00 C ATOM 233 CE LYS A 11 -1.359 -7.321 12.861 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.220 -8.148 13.754 1.00 0.00 N ATOM 0 H LYS A 11 1.174 -3.545 11.392 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.220 -2.286 12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.886 -3.961 13.726 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.669 -3.544 14.419 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.806 -4.626 12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.233 -5.111 11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.177 -6.332 14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.455 -5.926 14.511 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.931 -6.982 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.531 -7.919 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.585 -8.966 13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.660 -8.482 14.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.017 -7.574 14.097 1.00 0.00 H new ATOM 248 N THR A 12 1.540 -1.008 13.464 1.00 0.00 N ATOM 249 CA THR A 12 2.044 0.141 14.266 1.00 0.00 C ATOM 250 C THR A 12 2.066 1.420 13.426 1.00 0.00 C ATOM 251 O THR A 12 2.371 2.484 13.926 1.00 0.00 O ATOM 252 CB THR A 12 3.461 -0.165 14.756 1.00 0.00 C ATOM 253 OG1 THR A 12 4.329 -0.294 13.638 1.00 0.00 O ATOM 254 CG2 THR A 12 3.459 -1.469 15.557 1.00 0.00 C ATOM 0 H THR A 12 2.255 -1.546 12.975 1.00 0.00 H new ATOM 0 HA THR A 12 1.378 0.291 15.115 1.00 0.00 H new ATOM 0 HB THR A 12 3.807 0.648 15.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.117 -1.118 13.153 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.469 -1.684 15.904 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.794 -1.368 16.415 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.112 -2.285 14.923 1.00 0.00 H new ATOM 262 N ARG A 13 1.768 1.343 12.154 1.00 0.00 N ATOM 263 CA ARG A 13 1.810 2.587 11.330 1.00 0.00 C ATOM 264 C ARG A 13 0.825 2.528 10.160 1.00 0.00 C ATOM 265 O ARG A 13 1.068 3.108 9.122 1.00 0.00 O ATOM 266 CB ARG A 13 3.226 2.776 10.778 1.00 0.00 C ATOM 267 CG ARG A 13 4.197 3.060 11.928 1.00 0.00 C ATOM 268 CD ARG A 13 5.560 3.455 11.358 1.00 0.00 C ATOM 269 NE ARG A 13 6.552 3.553 12.467 1.00 0.00 N ATOM 270 CZ ARG A 13 7.821 3.688 12.196 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.223 3.737 10.956 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.690 3.774 13.167 1.00 0.00 N ATOM 0 H ARG A 13 1.503 0.491 11.659 1.00 0.00 H new ATOM 0 HA ARG A 13 1.528 3.423 11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.538 1.882 10.238 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.241 3.600 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.808 3.861 12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.297 2.178 12.560 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.888 2.717 10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.486 4.409 10.837 1.00 0.00 H new ATOM 0 HE ARG A 13 6.239 3.515 13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.545 3.670 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.215 3.843 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.376 3.736 14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.682 3.880 12.956 1.00 0.00 H new ATOM 286 N CYS A 14 -0.279 1.852 10.299 1.00 0.00 N ATOM 287 CA CYS A 14 -1.236 1.799 9.156 1.00 0.00 C ATOM 288 C CYS A 14 -2.653 1.501 9.660 1.00 0.00 C ATOM 289 O CYS A 14 -3.543 1.205 8.889 1.00 0.00 O ATOM 290 CB CYS A 14 -0.797 0.698 8.191 1.00 0.00 C ATOM 291 SG CYS A 14 -1.097 1.218 6.479 1.00 0.00 S ATOM 0 H CYS A 14 -0.559 1.342 11.137 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.241 2.763 8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.261 0.479 8.333 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.344 -0.221 8.402 1.00 0.00 H new ATOM 296 N LEU A 15 -2.874 1.574 10.944 1.00 0.00 N ATOM 297 CA LEU A 15 -4.240 1.290 11.475 1.00 0.00 C ATOM 298 C LEU A 15 -5.032 2.592 11.593 1.00 0.00 C ATOM 299 O LEU A 15 -6.165 2.602 12.029 1.00 0.00 O ATOM 300 CB LEU A 15 -4.130 0.635 12.853 1.00 0.00 C ATOM 301 CG LEU A 15 -3.218 -0.588 12.766 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.221 -1.326 14.107 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.723 -1.526 11.667 1.00 0.00 C ATOM 0 H LEU A 15 -2.174 1.816 11.645 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.755 0.615 10.791 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.732 1.348 13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.118 0.340 13.207 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.203 -0.266 12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.570 -2.198 14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.859 -0.659 14.890 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.236 -1.647 14.344 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.072 -2.398 11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.738 -1.847 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.719 -1.002 10.711 1.00 0.00 H new ATOM 315 N GLN A 16 -4.445 3.691 11.215 1.00 0.00 N ATOM 316 CA GLN A 16 -5.168 4.989 11.312 1.00 0.00 C ATOM 317 C GLN A 16 -5.920 5.270 10.009 1.00 0.00 C ATOM 318 O GLN A 16 -6.489 6.328 9.832 1.00 0.00 O ATOM 319 CB GLN A 16 -4.161 6.109 11.565 1.00 0.00 C ATOM 320 CG GLN A 16 -3.268 6.273 10.335 1.00 0.00 C ATOM 321 CD GLN A 16 -2.118 7.230 10.661 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.545 7.165 11.731 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.755 8.120 9.780 1.00 0.00 N ATOM 0 H GLN A 16 -3.497 3.748 10.843 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.883 4.940 12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.683 7.042 11.777 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.555 5.877 12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.873 5.305 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.851 6.659 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.236 8.174 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.990 8.762 9.989 1.00 0.00 H new ATOM 332 N CYS A 17 -5.923 4.342 9.090 1.00 0.00 N ATOM 333 CA CYS A 17 -6.637 4.587 7.804 1.00 0.00 C ATOM 334 C CYS A 17 -7.074 3.260 7.175 1.00 0.00 C ATOM 335 O CYS A 17 -8.194 2.819 7.348 1.00 0.00 O ATOM 336 CB CYS A 17 -5.700 5.316 6.841 1.00 0.00 C ATOM 337 SG CYS A 17 -5.501 7.035 7.375 1.00 0.00 S ATOM 0 H CYS A 17 -5.467 3.433 9.172 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.521 5.194 7.999 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.731 4.818 6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.104 5.283 5.829 1.00 0.00 H new ATOM 342 N HIS A 18 -6.205 2.627 6.434 1.00 0.00 N ATOM 343 CA HIS A 18 -6.580 1.338 5.780 1.00 0.00 C ATOM 344 C HIS A 18 -7.112 0.352 6.819 1.00 0.00 C ATOM 345 O HIS A 18 -8.067 -0.358 6.577 1.00 0.00 O ATOM 346 CB HIS A 18 -5.356 0.728 5.089 1.00 0.00 C ATOM 347 CG HIS A 18 -4.917 1.620 3.964 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.505 1.570 2.707 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.952 2.590 3.889 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.895 2.488 1.935 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.946 3.130 2.612 1.00 0.00 N ATOM 0 H HIS A 18 -5.253 2.945 6.253 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.357 1.537 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.545 0.604 5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.598 -0.264 4.707 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.262 0.950 2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.299 2.887 4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.143 2.679 0.901 1.00 0.00 H new ATOM 359 N THR A 19 -6.502 0.298 7.970 1.00 0.00 N ATOM 360 CA THR A 19 -6.973 -0.652 9.018 1.00 0.00 C ATOM 361 C THR A 19 -7.315 -1.994 8.362 1.00 0.00 C ATOM 362 O THR A 19 -8.430 -2.227 7.941 1.00 0.00 O ATOM 363 CB THR A 19 -8.215 -0.076 9.708 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.233 1.335 9.543 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.178 -0.416 11.199 1.00 0.00 C ATOM 0 H THR A 19 -5.699 0.870 8.231 1.00 0.00 H new ATOM 0 HA THR A 19 -6.190 -0.802 9.761 1.00 0.00 H new ATOM 0 HB THR A 19 -9.111 -0.507 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.540 1.555 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.062 -0.006 11.688 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.163 -1.499 11.325 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.283 0.014 11.648 1.00 0.00 H new ATOM 373 N VAL A 20 -6.357 -2.872 8.264 1.00 0.00 N ATOM 374 CA VAL A 20 -6.614 -4.192 7.627 1.00 0.00 C ATOM 375 C VAL A 20 -7.244 -5.136 8.649 1.00 0.00 C ATOM 376 O VAL A 20 -6.695 -6.168 8.985 1.00 0.00 O ATOM 377 CB VAL A 20 -5.293 -4.772 7.126 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.518 -6.184 6.589 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.749 -3.884 6.006 1.00 0.00 C ATOM 0 H VAL A 20 -5.404 -2.731 8.599 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.297 -4.071 6.786 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.579 -4.811 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.572 -6.593 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.911 -6.817 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.232 -6.151 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.806 -4.292 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.468 -3.850 5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.585 -2.876 6.388 1.00 0.00 H new ATOM 389 N GLU A 21 -8.399 -4.790 9.142 1.00 0.00 N ATOM 390 CA GLU A 21 -9.080 -5.661 10.141 1.00 0.00 C ATOM 391 C GLU A 21 -9.613 -6.910 9.438 1.00 0.00 C ATOM 392 O GLU A 21 -10.433 -7.627 9.975 1.00 0.00 O ATOM 393 CB GLU A 21 -10.243 -4.899 10.780 1.00 0.00 C ATOM 394 CG GLU A 21 -9.714 -3.643 11.476 1.00 0.00 C ATOM 395 CD GLU A 21 -8.764 -4.043 12.607 1.00 0.00 C ATOM 396 OE1 GLU A 21 -8.817 -5.188 13.022 1.00 0.00 O ATOM 397 OE2 GLU A 21 -8.000 -3.194 13.039 1.00 0.00 O ATOM 0 H GLU A 21 -8.903 -3.938 8.896 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.371 -5.950 10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.973 -4.625 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.757 -5.536 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.194 -3.009 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.544 -3.059 11.874 1.00 0.00 H new ATOM 404 N LYS A 22 -9.154 -7.165 8.239 1.00 0.00 N ATOM 405 CA LYS A 22 -9.617 -8.364 7.474 1.00 0.00 C ATOM 406 C LYS A 22 -11.084 -8.197 7.075 1.00 0.00 C ATOM 407 O LYS A 22 -11.947 -8.927 7.521 1.00 0.00 O ATOM 408 CB LYS A 22 -9.448 -9.630 8.313 1.00 0.00 C ATOM 409 CG LYS A 22 -8.043 -9.656 8.913 1.00 0.00 C ATOM 410 CD LYS A 22 -6.995 -9.624 7.797 1.00 0.00 C ATOM 411 CE LYS A 22 -5.631 -10.002 8.371 1.00 0.00 C ATOM 412 NZ LYS A 22 -5.690 -11.382 8.929 1.00 0.00 N ATOM 0 H LYS A 22 -8.470 -6.587 7.751 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.010 -8.457 6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.195 -9.656 9.106 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.608 -10.513 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.906 -8.802 9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.914 -10.553 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.272 -10.317 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.952 -8.630 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.869 -9.945 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.344 -9.296 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.747 -11.817 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.002 -11.343 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.362 -11.951 8.377 1.00 0.00 H new ATOM 426 N GLY A 23 -11.369 -7.244 6.228 1.00 0.00 N ATOM 427 CA GLY A 23 -12.778 -7.032 5.788 1.00 0.00 C ATOM 428 C GLY A 23 -13.397 -5.862 6.555 1.00 0.00 C ATOM 429 O GLY A 23 -14.592 -5.650 6.518 1.00 0.00 O ATOM 0 H GLY A 23 -10.687 -6.603 5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.807 -6.831 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.361 -7.937 5.958 1.00 0.00 H new ATOM 433 N GLY A 24 -12.598 -5.099 7.248 1.00 0.00 N ATOM 434 CA GLY A 24 -13.153 -3.944 8.011 1.00 0.00 C ATOM 435 C GLY A 24 -13.650 -2.875 7.035 1.00 0.00 C ATOM 436 O GLY A 24 -13.240 -2.829 5.892 1.00 0.00 O ATOM 0 H GLY A 24 -11.588 -5.224 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.971 -4.277 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.388 -3.526 8.665 1.00 0.00 H new ATOM 440 N PRO A 25 -14.523 -2.017 7.489 1.00 0.00 N ATOM 441 CA PRO A 25 -15.089 -0.919 6.654 1.00 0.00 C ATOM 442 C PRO A 25 -13.988 -0.036 6.061 1.00 0.00 C ATOM 443 O PRO A 25 -12.862 -0.048 6.515 1.00 0.00 O ATOM 444 CB PRO A 25 -15.964 -0.109 7.621 1.00 0.00 C ATOM 445 CG PRO A 25 -15.615 -0.583 8.998 1.00 0.00 C ATOM 446 CD PRO A 25 -15.067 -1.999 8.851 1.00 0.00 C ATOM 0 HA PRO A 25 -15.649 -1.309 5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.773 0.959 7.517 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.022 -0.265 7.412 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.874 0.072 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.493 -0.573 9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.297 -2.210 9.593 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.849 -2.747 8.981 1.00 0.00 H new ATOM 454 N HIS A 26 -14.297 0.725 5.045 1.00 0.00 N ATOM 455 CA HIS A 26 -13.252 1.592 4.435 1.00 0.00 C ATOM 456 C HIS A 26 -13.273 2.972 5.092 1.00 0.00 C ATOM 457 O HIS A 26 -14.317 3.558 5.300 1.00 0.00 O ATOM 458 CB HIS A 26 -13.520 1.764 2.939 1.00 0.00 C ATOM 459 CG HIS A 26 -13.570 0.423 2.259 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.460 -0.404 2.167 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.586 -0.239 1.613 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.830 -1.506 1.487 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.114 -1.454 1.130 1.00 0.00 N ATOM 0 H HIS A 26 -15.220 0.783 4.615 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.281 1.120 4.586 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.463 2.290 2.790 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.738 2.377 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.595 0.128 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.169 -2.329 1.259 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.639 -2.158 0.611 1.00 0.00 H new ATOM 472 N LYS A 27 -12.123 3.500 5.402 1.00 0.00 N ATOM 473 CA LYS A 27 -12.059 4.850 6.025 1.00 0.00 C ATOM 474 C LYS A 27 -11.599 5.845 4.959 1.00 0.00 C ATOM 475 O LYS A 27 -11.971 5.742 3.808 1.00 0.00 O ATOM 476 CB LYS A 27 -11.062 4.832 7.186 1.00 0.00 C ATOM 477 CG LYS A 27 -11.547 3.857 8.261 1.00 0.00 C ATOM 478 CD LYS A 27 -10.614 3.925 9.471 1.00 0.00 C ATOM 479 CE LYS A 27 -11.033 2.870 10.497 1.00 0.00 C ATOM 480 NZ LYS A 27 -12.234 3.347 11.239 1.00 0.00 N ATOM 0 H LYS A 27 -11.220 3.052 5.250 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.037 5.139 6.409 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.076 4.534 6.828 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.960 5.832 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.565 4.106 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.570 2.843 7.863 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.583 3.756 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.652 4.918 9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.253 1.927 9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.215 2.679 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.488 2.653 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.024 4.262 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.029 3.460 10.578 1.00 0.00 H new ATOM 494 N VAL A 28 -10.784 6.799 5.316 1.00 0.00 N ATOM 495 CA VAL A 28 -10.308 7.769 4.294 1.00 0.00 C ATOM 496 C VAL A 28 -9.632 6.990 3.166 1.00 0.00 C ATOM 497 O VAL A 28 -9.769 7.313 2.003 1.00 0.00 O ATOM 498 CB VAL A 28 -9.302 8.734 4.925 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.658 9.588 3.832 1.00 0.00 C ATOM 500 CG2 VAL A 28 -10.024 9.644 5.921 1.00 0.00 C ATOM 0 H VAL A 28 -10.431 6.947 6.261 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.149 8.342 3.904 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.531 8.165 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.942 10.275 4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.143 8.942 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.429 10.157 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.308 10.332 6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.796 10.212 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.484 9.037 6.701 1.00 0.00 H new ATOM 510 N GLY A 29 -8.913 5.954 3.508 1.00 0.00 N ATOM 511 CA GLY A 29 -8.233 5.133 2.468 1.00 0.00 C ATOM 512 C GLY A 29 -8.906 3.760 2.398 1.00 0.00 C ATOM 513 O GLY A 29 -9.555 3.332 3.331 1.00 0.00 O ATOM 0 H GLY A 29 -8.768 5.641 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.290 5.630 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.176 5.022 2.708 1.00 0.00 H new ATOM 517 N PRO A 30 -8.756 3.078 1.294 1.00 0.00 N ATOM 518 CA PRO A 30 -9.363 1.731 1.090 1.00 0.00 C ATOM 519 C PRO A 30 -8.876 0.705 2.118 1.00 0.00 C ATOM 520 O PRO A 30 -7.809 0.832 2.682 1.00 0.00 O ATOM 521 CB PRO A 30 -8.928 1.320 -0.322 1.00 0.00 C ATOM 522 CG PRO A 30 -7.824 2.251 -0.709 1.00 0.00 C ATOM 523 CD PRO A 30 -7.991 3.520 0.123 1.00 0.00 C ATOM 0 HA PRO A 30 -10.446 1.768 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.587 0.285 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.761 1.392 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.852 1.794 -0.523 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.869 2.480 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.027 3.938 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.522 4.294 -0.432 1.00 0.00 H new ATOM 531 N ASN A 31 -9.658 -0.311 2.362 1.00 0.00 N ATOM 532 CA ASN A 31 -9.251 -1.354 3.350 1.00 0.00 C ATOM 533 C ASN A 31 -7.877 -1.912 2.975 1.00 0.00 C ATOM 534 O ASN A 31 -7.187 -2.481 3.796 1.00 0.00 O ATOM 535 CB ASN A 31 -10.279 -2.487 3.351 1.00 0.00 C ATOM 536 CG ASN A 31 -10.047 -3.386 4.567 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.126 -3.171 5.329 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.851 -4.392 4.782 1.00 0.00 N ATOM 0 H ASN A 31 -10.564 -0.465 1.919 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.200 -0.908 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.288 -2.076 3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.195 -3.069 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.706 -4.997 5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.624 -4.572 4.142 1.00 0.00 H new ATOM 545 N LEU A 32 -7.484 -1.764 1.736 1.00 0.00 N ATOM 546 CA LEU A 32 -6.160 -2.290 1.284 1.00 0.00 C ATOM 547 C LEU A 32 -6.180 -3.816 1.325 1.00 0.00 C ATOM 548 O LEU A 32 -5.284 -4.448 1.848 1.00 0.00 O ATOM 549 CB LEU A 32 -5.043 -1.756 2.197 1.00 0.00 C ATOM 550 CG LEU A 32 -3.672 -1.954 1.537 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.625 -1.201 0.215 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.586 -1.385 2.443 1.00 0.00 C ATOM 0 H LEU A 32 -8.029 -1.297 1.011 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.969 -1.958 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.206 -0.698 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.070 -2.273 3.156 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.511 -3.019 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.650 -1.344 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.403 -1.580 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.789 -0.139 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.612 -1.525 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.764 -0.321 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.605 -1.901 3.403 1.00 0.00 H new ATOM 564 N HIS A 33 -7.202 -4.409 0.771 1.00 0.00 N ATOM 565 CA HIS A 33 -7.296 -5.895 0.764 1.00 0.00 C ATOM 566 C HIS A 33 -7.613 -6.380 -0.653 1.00 0.00 C ATOM 567 O HIS A 33 -7.710 -7.565 -0.903 1.00 0.00 O ATOM 568 CB HIS A 33 -8.409 -6.335 1.716 1.00 0.00 C ATOM 569 CG HIS A 33 -7.872 -7.366 2.666 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.938 -7.054 3.644 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.121 -8.709 2.800 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.661 -8.186 4.316 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.356 -9.221 3.840 1.00 0.00 N ATOM 0 H HIS A 33 -7.979 -3.925 0.321 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.348 -6.323 1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.790 -5.477 2.270 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.245 -6.746 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.806 -9.280 2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.963 -8.249 5.138 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.331 -10.186 4.171 1.00 0.00 H new ATOM 582 N GLY A 34 -7.782 -5.478 -1.583 1.00 0.00 N ATOM 583 CA GLY A 34 -8.102 -5.905 -2.976 1.00 0.00 C ATOM 584 C GLY A 34 -7.374 -5.015 -3.991 1.00 0.00 C ATOM 585 O GLY A 34 -7.653 -5.061 -5.173 1.00 0.00 O ATOM 0 H GLY A 34 -7.713 -4.470 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.810 -6.945 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.178 -5.850 -3.141 1.00 0.00 H new ATOM 589 N ILE A 35 -6.441 -4.211 -3.553 1.00 0.00 N ATOM 590 CA ILE A 35 -5.706 -3.336 -4.515 1.00 0.00 C ATOM 591 C ILE A 35 -5.071 -4.207 -5.599 1.00 0.00 C ATOM 592 O ILE A 35 -4.827 -3.761 -6.700 1.00 0.00 O ATOM 593 CB ILE A 35 -4.629 -2.526 -3.761 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.316 -1.429 -2.931 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.633 -1.871 -4.740 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.336 -0.281 -2.678 1.00 0.00 C ATOM 0 H ILE A 35 -6.157 -4.122 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.396 -2.635 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.076 -3.207 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.196 -1.059 -3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.661 -1.840 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.888 -1.308 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.137 -2.645 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.169 -1.197 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.827 0.494 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.469 -0.656 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.012 0.138 -3.631 1.00 0.00 H new ATOM 608 N PHE A 36 -4.793 -5.442 -5.301 1.00 0.00 N ATOM 609 CA PHE A 36 -4.170 -6.319 -6.328 1.00 0.00 C ATOM 610 C PHE A 36 -5.262 -7.112 -7.050 1.00 0.00 C ATOM 611 O PHE A 36 -6.079 -7.769 -6.437 1.00 0.00 O ATOM 612 CB PHE A 36 -3.191 -7.276 -5.647 1.00 0.00 C ATOM 613 CG PHE A 36 -2.140 -6.464 -4.929 1.00 0.00 C ATOM 614 CD1 PHE A 36 -1.012 -6.008 -5.622 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.300 -6.158 -3.573 1.00 0.00 C ATOM 616 CE1 PHE A 36 -0.043 -5.247 -4.956 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.332 -5.396 -2.908 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.203 -4.940 -3.600 1.00 0.00 C ATOM 0 H PHE A 36 -4.968 -5.881 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.631 -5.712 -7.055 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.719 -7.918 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.725 -7.929 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.889 -6.243 -6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.171 -6.510 -3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.828 -4.897 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.456 -5.160 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.544 -4.352 -3.087 1.00 0.00 H new ATOM 628 N GLY A 37 -5.283 -7.042 -8.354 1.00 0.00 N ATOM 629 CA GLY A 37 -6.320 -7.776 -9.135 1.00 0.00 C ATOM 630 C GLY A 37 -6.187 -7.402 -10.612 1.00 0.00 C ATOM 631 O GLY A 37 -5.405 -7.982 -11.339 1.00 0.00 O ATOM 0 H GLY A 37 -4.622 -6.504 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.197 -8.851 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.316 -7.523 -8.770 1.00 0.00 H new ATOM 635 N ARG A 38 -6.934 -6.429 -11.063 1.00 0.00 N ATOM 636 CA ARG A 38 -6.831 -6.017 -12.492 1.00 0.00 C ATOM 637 C ARG A 38 -6.919 -4.491 -12.595 1.00 0.00 C ATOM 638 O ARG A 38 -7.618 -3.848 -11.837 1.00 0.00 O ATOM 639 CB ARG A 38 -7.970 -6.647 -13.297 1.00 0.00 C ATOM 640 CG ARG A 38 -9.312 -6.095 -12.816 1.00 0.00 C ATOM 641 CD ARG A 38 -10.437 -6.776 -13.589 1.00 0.00 C ATOM 642 NE ARG A 38 -11.390 -7.405 -12.632 1.00 0.00 N ATOM 643 CZ ARG A 38 -12.482 -7.968 -13.073 1.00 0.00 C ATOM 644 NH1 ARG A 38 -12.737 -7.983 -14.352 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.319 -8.516 -12.234 1.00 0.00 N ATOM 0 H ARG A 38 -7.608 -5.904 -10.506 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.875 -6.355 -12.893 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.838 -6.435 -14.358 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.951 -7.731 -13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.430 -6.271 -11.747 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.351 -5.016 -12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.958 -6.048 -14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.026 -7.532 -14.259 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.189 -7.396 -11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.083 -7.555 -15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.590 -8.423 -14.697 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.120 -8.504 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.172 -8.956 -12.579 1.00 0.00 H new ATOM 659 N HIS A 39 -6.224 -3.913 -13.538 1.00 0.00 N ATOM 660 CA HIS A 39 -6.261 -2.428 -13.714 1.00 0.00 C ATOM 661 C HIS A 39 -6.044 -1.720 -12.376 1.00 0.00 C ATOM 662 O HIS A 39 -5.997 -2.334 -11.330 1.00 0.00 O ATOM 663 CB HIS A 39 -7.621 -2.008 -14.280 1.00 0.00 C ATOM 664 CG HIS A 39 -8.221 -3.140 -15.066 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.592 -3.357 -15.120 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.655 -4.125 -15.834 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.801 -4.436 -15.899 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.654 -4.939 -16.357 1.00 0.00 N ATOM 0 H HIS A 39 -5.627 -4.408 -14.200 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.464 -2.146 -14.402 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.290 -1.723 -13.468 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.504 -1.132 -14.919 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.596 -4.250 -16.006 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.776 -4.843 -16.124 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.534 -5.750 -16.964 1.00 0.00 H new ATOM 677 N SER A 40 -5.910 -0.421 -12.412 1.00 0.00 N ATOM 678 CA SER A 40 -5.702 0.350 -11.157 1.00 0.00 C ATOM 679 C SER A 40 -7.036 0.491 -10.418 1.00 0.00 C ATOM 680 O SER A 40 -8.095 0.374 -11.004 1.00 0.00 O ATOM 681 CB SER A 40 -5.162 1.738 -11.498 1.00 0.00 C ATOM 682 OG SER A 40 -5.066 1.871 -12.910 1.00 0.00 O ATOM 0 H SER A 40 -5.936 0.140 -13.263 1.00 0.00 H new ATOM 0 HA SER A 40 -4.988 -0.174 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.820 2.507 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.183 1.883 -11.040 1.00 0.00 H new ATOM 0 HG SER A 40 -5.359 2.768 -13.175 1.00 0.00 H new ATOM 688 N GLY A 41 -6.996 0.748 -9.139 1.00 0.00 N ATOM 689 CA GLY A 41 -8.264 0.903 -8.366 1.00 0.00 C ATOM 690 C GLY A 41 -9.018 -0.429 -8.339 1.00 0.00 C ATOM 691 O GLY A 41 -9.320 -1.002 -9.367 1.00 0.00 O ATOM 0 H GLY A 41 -6.140 0.858 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.044 1.228 -7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.886 1.675 -8.820 1.00 0.00 H new ATOM 695 N GLN A 42 -9.320 -0.932 -7.171 1.00 0.00 N ATOM 696 CA GLN A 42 -10.050 -2.231 -7.083 1.00 0.00 C ATOM 697 C GLN A 42 -11.082 -2.171 -5.954 1.00 0.00 C ATOM 698 O GLN A 42 -12.207 -2.602 -6.106 1.00 0.00 O ATOM 699 CB GLN A 42 -9.054 -3.355 -6.789 1.00 0.00 C ATOM 700 CG GLN A 42 -8.190 -3.613 -8.024 1.00 0.00 C ATOM 701 CD GLN A 42 -7.153 -2.499 -8.161 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.431 -2.206 -7.230 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.051 -1.856 -9.291 1.00 0.00 N ATOM 0 H GLN A 42 -9.093 -0.500 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.556 -2.421 -8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.424 -3.083 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.588 -4.264 -6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.693 -4.579 -7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.815 -3.655 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.657 -2.101 -10.074 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.365 -1.108 -9.392 1.00 0.00 H new ATOM 712 N ALA A 43 -10.700 -1.645 -4.819 1.00 0.00 N ATOM 713 CA ALA A 43 -11.646 -1.554 -3.668 1.00 0.00 C ATOM 714 C ALA A 43 -13.050 -1.208 -4.169 1.00 0.00 C ATOM 715 O ALA A 43 -13.347 -0.073 -4.478 1.00 0.00 O ATOM 716 CB ALA A 43 -11.171 -0.459 -2.709 1.00 0.00 C ATOM 0 H ALA A 43 -9.768 -1.272 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.675 -2.514 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.859 -0.389 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.174 -0.703 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.141 0.496 -3.233 1.00 0.00 H new ATOM 722 N GLU A 44 -13.918 -2.179 -4.252 1.00 0.00 N ATOM 723 CA GLU A 44 -15.300 -1.898 -4.731 1.00 0.00 C ATOM 724 C GLU A 44 -16.019 -1.003 -3.717 1.00 0.00 C ATOM 725 O GLU A 44 -16.741 -0.094 -4.078 1.00 0.00 O ATOM 726 CB GLU A 44 -16.063 -3.214 -4.884 1.00 0.00 C ATOM 727 CG GLU A 44 -15.409 -4.059 -5.979 1.00 0.00 C ATOM 728 CD GLU A 44 -16.209 -5.347 -6.177 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.088 -5.606 -5.371 1.00 0.00 O ATOM 730 OE2 GLU A 44 -15.929 -6.055 -7.131 1.00 0.00 O ATOM 0 H GLU A 44 -13.730 -3.152 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.256 -1.391 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.062 -3.759 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.105 -3.015 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.369 -3.496 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.381 -4.296 -5.705 1.00 0.00 H new ATOM 737 N GLY A 45 -15.826 -1.250 -2.449 1.00 0.00 N ATOM 738 CA GLY A 45 -16.496 -0.411 -1.414 1.00 0.00 C ATOM 739 C GLY A 45 -15.921 1.006 -1.456 1.00 0.00 C ATOM 740 O GLY A 45 -16.636 1.982 -1.346 1.00 0.00 O ATOM 0 H GLY A 45 -15.233 -1.996 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.571 -0.384 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.347 -0.846 -0.426 1.00 0.00 H new ATOM 744 N TYR A 46 -14.631 1.121 -1.616 1.00 0.00 N ATOM 745 CA TYR A 46 -13.993 2.468 -1.669 1.00 0.00 C ATOM 746 C TYR A 46 -13.523 2.753 -3.094 1.00 0.00 C ATOM 747 O TYR A 46 -12.774 1.995 -3.675 1.00 0.00 O ATOM 748 CB TYR A 46 -12.793 2.493 -0.721 1.00 0.00 C ATOM 749 CG TYR A 46 -11.930 3.691 -1.024 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.974 3.622 -2.044 1.00 0.00 C ATOM 751 CD2 TYR A 46 -12.081 4.867 -0.284 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.171 4.732 -2.326 1.00 0.00 C ATOM 753 CE2 TYR A 46 -11.278 5.978 -0.565 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.322 5.911 -1.587 1.00 0.00 C ATOM 755 OH TYR A 46 -9.530 7.006 -1.865 1.00 0.00 O ATOM 0 H TYR A 46 -13.988 0.335 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.714 3.228 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.135 2.532 0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.212 1.577 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.856 2.712 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.817 4.918 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.434 4.679 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -11.395 6.887 0.006 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.764 7.741 -1.261 1.00 0.00 H new ATOM 765 N SER A 47 -13.956 3.841 -3.665 1.00 0.00 N ATOM 766 CA SER A 47 -13.530 4.166 -5.054 1.00 0.00 C ATOM 767 C SER A 47 -12.212 4.941 -5.022 1.00 0.00 C ATOM 768 O SER A 47 -11.872 5.571 -4.040 1.00 0.00 O ATOM 769 CB SER A 47 -14.605 5.015 -5.731 1.00 0.00 C ATOM 770 OG SER A 47 -14.596 6.320 -5.166 1.00 0.00 O ATOM 0 H SER A 47 -14.585 4.518 -3.232 1.00 0.00 H new ATOM 0 HA SER A 47 -13.390 3.241 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.420 5.069 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.585 4.556 -5.599 1.00 0.00 H new ATOM 0 HG SER A 47 -15.283 6.869 -5.599 1.00 0.00 H new ATOM 776 N TYR A 48 -11.471 4.901 -6.094 1.00 0.00 N ATOM 777 CA TYR A 48 -10.173 5.635 -6.140 1.00 0.00 C ATOM 778 C TYR A 48 -10.343 6.901 -6.978 1.00 0.00 C ATOM 779 O TYR A 48 -11.288 7.037 -7.729 1.00 0.00 O ATOM 780 CB TYR A 48 -9.107 4.754 -6.793 1.00 0.00 C ATOM 781 CG TYR A 48 -9.006 3.447 -6.050 1.00 0.00 C ATOM 782 CD1 TYR A 48 -9.959 2.450 -6.272 1.00 0.00 C ATOM 783 CD2 TYR A 48 -7.960 3.229 -5.148 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.869 1.234 -5.591 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.868 2.011 -4.465 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.823 1.012 -4.687 1.00 0.00 C ATOM 787 OH TYR A 48 -8.733 -0.190 -4.016 1.00 0.00 O ATOM 0 H TYR A 48 -11.708 4.390 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.868 5.892 -5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.361 4.572 -7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.144 5.264 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.765 2.620 -6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.223 4.000 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.607 0.464 -5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.061 1.842 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.295 -0.050 -3.151 1.00 0.00 H new ATOM 797 N THR A 49 -9.434 7.826 -6.861 1.00 0.00 N ATOM 798 CA THR A 49 -9.544 9.075 -7.659 1.00 0.00 C ATOM 799 C THR A 49 -9.542 8.714 -9.144 1.00 0.00 C ATOM 800 O THR A 49 -8.872 7.793 -9.566 1.00 0.00 O ATOM 801 CB THR A 49 -8.351 9.981 -7.352 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.280 10.213 -5.953 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.516 11.313 -8.086 1.00 0.00 C ATOM 0 H THR A 49 -8.621 7.771 -6.248 1.00 0.00 H new ATOM 0 HA THR A 49 -10.467 9.597 -7.407 1.00 0.00 H new ATOM 0 HB THR A 49 -7.433 9.497 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.873 9.437 -5.513 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.665 11.957 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.567 11.133 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.434 11.799 -7.756 1.00 0.00 H new ATOM 811 N ASP A 50 -10.291 9.424 -9.938 1.00 0.00 N ATOM 812 CA ASP A 50 -10.335 9.109 -11.393 1.00 0.00 C ATOM 813 C ASP A 50 -8.909 8.969 -11.928 1.00 0.00 C ATOM 814 O ASP A 50 -8.641 8.172 -12.803 1.00 0.00 O ATOM 815 CB ASP A 50 -11.050 10.238 -12.138 1.00 0.00 C ATOM 816 CG ASP A 50 -12.534 10.239 -11.761 1.00 0.00 C ATOM 817 OD1 ASP A 50 -12.968 9.280 -11.144 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.208 11.199 -12.095 1.00 0.00 O ATOM 0 H ASP A 50 -10.874 10.208 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.874 8.174 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.599 11.198 -11.885 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.937 10.106 -13.214 1.00 0.00 H new ATOM 823 N ALA A 51 -7.991 9.737 -11.410 1.00 0.00 N ATOM 824 CA ALA A 51 -6.587 9.645 -11.898 1.00 0.00 C ATOM 825 C ALA A 51 -6.128 8.186 -11.881 1.00 0.00 C ATOM 826 O ALA A 51 -5.623 7.675 -12.858 1.00 0.00 O ATOM 827 CB ALA A 51 -5.680 10.474 -10.987 1.00 0.00 C ATOM 0 H ALA A 51 -8.152 10.422 -10.672 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.533 10.027 -12.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.651 10.409 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.004 11.515 -11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.738 10.090 -9.969 1.00 0.00 H new ATOM 833 N ASN A 52 -6.307 7.508 -10.784 1.00 0.00 N ATOM 834 CA ASN A 52 -5.884 6.079 -10.715 1.00 0.00 C ATOM 835 C ASN A 52 -6.630 5.265 -11.778 1.00 0.00 C ATOM 836 O ASN A 52 -6.066 4.407 -12.428 1.00 0.00 O ATOM 837 CB ASN A 52 -6.200 5.526 -9.323 1.00 0.00 C ATOM 838 CG ASN A 52 -5.618 4.118 -9.180 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.482 3.878 -9.537 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.357 3.170 -8.668 1.00 0.00 N ATOM 0 H ASN A 52 -6.727 7.879 -9.932 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.812 6.007 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.783 6.181 -8.558 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.279 5.501 -9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.980 2.227 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.311 3.372 -8.368 1.00 0.00 H new ATOM 847 N ILE A 53 -7.897 5.522 -11.952 1.00 0.00 N ATOM 848 CA ILE A 53 -8.689 4.761 -12.964 1.00 0.00 C ATOM 849 C ILE A 53 -8.248 5.120 -14.389 1.00 0.00 C ATOM 850 O ILE A 53 -8.129 4.264 -15.242 1.00 0.00 O ATOM 851 CB ILE A 53 -10.172 5.093 -12.797 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.621 4.717 -11.384 1.00 0.00 C ATOM 853 CG2 ILE A 53 -10.989 4.304 -13.822 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.057 5.197 -11.159 1.00 0.00 C ATOM 0 H ILE A 53 -8.421 6.228 -11.436 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.520 3.696 -12.807 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.327 6.160 -12.955 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.562 3.637 -11.248 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.956 5.168 -10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.047 4.540 -13.704 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.668 4.573 -14.828 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.836 3.236 -13.665 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.377 4.929 -10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.102 6.280 -11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.717 4.725 -11.887 1.00 0.00 H new ATOM 866 N LYS A 54 -8.024 6.378 -14.666 1.00 0.00 N ATOM 867 CA LYS A 54 -7.617 6.777 -16.045 1.00 0.00 C ATOM 868 C LYS A 54 -6.325 6.066 -16.450 1.00 0.00 C ATOM 869 O LYS A 54 -6.170 5.641 -17.578 1.00 0.00 O ATOM 870 CB LYS A 54 -7.404 8.290 -16.092 1.00 0.00 C ATOM 871 CG LYS A 54 -8.746 9.005 -15.917 1.00 0.00 C ATOM 872 CD LYS A 54 -8.545 10.514 -16.063 1.00 0.00 C ATOM 873 CE LYS A 54 -9.862 11.236 -15.777 1.00 0.00 C ATOM 874 NZ LYS A 54 -9.658 12.226 -14.682 1.00 0.00 N ATOM 0 H LYS A 54 -8.105 7.145 -13.998 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.405 6.492 -16.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.713 8.594 -15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.951 8.574 -17.042 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.459 8.649 -16.661 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.166 8.777 -14.938 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.773 10.857 -15.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.200 10.750 -17.070 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.215 11.740 -16.676 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.629 10.516 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.554 12.717 -14.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.339 11.733 -13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.938 12.919 -14.970 1.00 0.00 H new ATOM 888 N LYS A 55 -5.395 5.933 -15.549 1.00 0.00 N ATOM 889 CA LYS A 55 -4.117 5.249 -15.899 1.00 0.00 C ATOM 890 C LYS A 55 -4.401 3.803 -16.308 1.00 0.00 C ATOM 891 O LYS A 55 -3.718 3.240 -17.139 1.00 0.00 O ATOM 892 CB LYS A 55 -3.175 5.261 -14.690 1.00 0.00 C ATOM 893 CG LYS A 55 -2.871 6.704 -14.270 1.00 0.00 C ATOM 894 CD LYS A 55 -2.025 7.397 -15.345 1.00 0.00 C ATOM 895 CE LYS A 55 -1.368 8.645 -14.751 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.544 9.791 -15.686 1.00 0.00 N ATOM 0 H LYS A 55 -5.462 6.266 -14.587 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.647 5.775 -16.730 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.630 4.721 -13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.248 4.743 -14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.802 7.251 -14.119 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.340 6.710 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.262 6.714 -15.719 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.651 7.672 -16.194 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.814 8.879 -13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.307 8.463 -14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.098 10.640 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.099 9.566 -16.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.559 9.969 -15.830 1.00 0.00 H new ATOM 910 N ASN A 56 -5.393 3.189 -15.723 1.00 0.00 N ATOM 911 CA ASN A 56 -5.696 1.775 -16.078 1.00 0.00 C ATOM 912 C ASN A 56 -4.422 0.954 -15.901 1.00 0.00 C ATOM 913 O ASN A 56 -4.063 0.152 -16.739 1.00 0.00 O ATOM 914 CB ASN A 56 -6.165 1.687 -17.531 1.00 0.00 C ATOM 915 CG ASN A 56 -7.098 0.482 -17.699 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.107 0.573 -18.370 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.805 -0.653 -17.117 1.00 0.00 N ATOM 0 H ASN A 56 -6.003 3.603 -15.018 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.487 1.392 -15.434 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.684 2.603 -17.812 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.306 1.590 -18.195 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.423 -1.457 -17.227 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.959 -0.733 -16.553 1.00 0.00 H new ATOM 924 N VAL A 57 -3.734 1.161 -14.816 1.00 0.00 N ATOM 925 CA VAL A 57 -2.476 0.414 -14.571 1.00 0.00 C ATOM 926 C VAL A 57 -2.724 -0.666 -13.523 1.00 0.00 C ATOM 927 O VAL A 57 -3.496 -0.487 -12.602 1.00 0.00 O ATOM 928 CB VAL A 57 -1.403 1.377 -14.062 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.908 2.078 -12.800 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.135 0.590 -13.728 1.00 0.00 C ATOM 0 H VAL A 57 -3.993 1.822 -14.083 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.141 -0.048 -15.500 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.184 2.119 -14.830 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.145 2.765 -12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.816 2.634 -13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.124 1.335 -12.032 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.632 1.274 -13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.357 -0.148 -12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.225 0.083 -14.623 1.00 0.00 H new ATOM 940 N LEU A 58 -2.079 -1.788 -13.660 1.00 0.00 N ATOM 941 CA LEU A 58 -2.280 -2.882 -12.675 1.00 0.00 C ATOM 942 C LEU A 58 -1.363 -2.671 -11.477 1.00 0.00 C ATOM 943 O LEU A 58 -0.184 -2.427 -11.622 1.00 0.00 O ATOM 944 CB LEU A 58 -1.957 -4.224 -13.334 1.00 0.00 C ATOM 945 CG LEU A 58 -2.093 -5.349 -12.306 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.508 -5.345 -11.732 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.827 -6.693 -12.988 1.00 0.00 C ATOM 0 H LEU A 58 -1.421 -1.995 -14.412 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.317 -2.879 -12.339 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.632 -4.400 -14.172 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.945 -4.208 -13.738 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.373 -5.197 -11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.606 -6.146 -11.000 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.702 -4.387 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.227 -5.499 -12.536 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.923 -7.497 -12.258 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.549 -6.843 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.819 -6.698 -13.402 1.00 0.00 H new ATOM 959 N TRP A 59 -1.896 -2.775 -10.294 1.00 0.00 N ATOM 960 CA TRP A 59 -1.055 -2.593 -9.083 1.00 0.00 C ATOM 961 C TRP A 59 -0.281 -3.882 -8.812 1.00 0.00 C ATOM 962 O TRP A 59 -0.817 -4.969 -8.889 1.00 0.00 O ATOM 963 CB TRP A 59 -1.951 -2.263 -7.887 1.00 0.00 C ATOM 964 CG TRP A 59 -2.320 -0.821 -7.930 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.537 -0.340 -8.260 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.486 0.334 -7.637 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.506 1.045 -8.190 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.260 1.505 -7.808 1.00 0.00 C ATOM 969 CE3 TRP A 59 -0.145 0.476 -7.242 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.722 2.773 -7.594 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.401 1.750 -7.026 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.387 2.896 -7.202 1.00 0.00 C ATOM 0 H TRP A 59 -2.879 -2.978 -10.114 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.352 -1.775 -9.240 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.849 -2.881 -7.910 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.432 -2.489 -6.956 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.395 -0.936 -8.534 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.303 1.648 -8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.469 -0.401 -7.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.333 3.653 -7.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.433 1.848 -6.723 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.038 3.874 -7.034 1.00 0.00 H new ATOM 983 N ASP A 60 0.980 -3.770 -8.499 1.00 0.00 N ATOM 984 CA ASP A 60 1.790 -4.991 -8.229 1.00 0.00 C ATOM 985 C ASP A 60 2.924 -4.648 -7.272 1.00 0.00 C ATOM 986 O ASP A 60 3.087 -3.517 -6.861 1.00 0.00 O ATOM 987 CB ASP A 60 2.379 -5.523 -9.535 1.00 0.00 C ATOM 988 CG ASP A 60 3.052 -6.873 -9.280 1.00 0.00 C ATOM 989 OD1 ASP A 60 2.734 -7.492 -8.279 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.872 -7.267 -10.094 1.00 0.00 O ATOM 0 H ASP A 60 1.484 -2.887 -8.419 1.00 0.00 H new ATOM 0 HA ASP A 60 1.149 -5.752 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.593 -5.632 -10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.103 -4.814 -9.935 1.00 0.00 H new ATOM 995 N GLU A 61 3.707 -5.620 -6.910 1.00 0.00 N ATOM 996 CA GLU A 61 4.832 -5.358 -5.971 1.00 0.00 C ATOM 997 C GLU A 61 5.799 -4.352 -6.598 1.00 0.00 C ATOM 998 O GLU A 61 6.324 -3.484 -5.929 1.00 0.00 O ATOM 999 CB GLU A 61 5.572 -6.665 -5.685 1.00 0.00 C ATOM 1000 CG GLU A 61 4.639 -7.633 -4.957 1.00 0.00 C ATOM 1001 CD GLU A 61 5.401 -8.913 -4.612 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.516 -9.061 -5.085 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.858 -9.723 -3.881 1.00 0.00 O ATOM 0 H GLU A 61 3.618 -6.587 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 61 4.439 -4.951 -5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.919 -7.110 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.456 -6.469 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.254 -7.170 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.779 -7.867 -5.584 1.00 0.00 H new ATOM 1010 N ASN A 62 6.037 -4.456 -7.875 1.00 0.00 N ATOM 1011 CA ASN A 62 6.968 -3.499 -8.536 1.00 0.00 C ATOM 1012 C ASN A 62 6.382 -2.090 -8.469 1.00 0.00 C ATOM 1013 O ASN A 62 7.066 -1.132 -8.167 1.00 0.00 O ATOM 1014 CB ASN A 62 7.158 -3.899 -10.000 1.00 0.00 C ATOM 1015 CG ASN A 62 7.850 -5.261 -10.072 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.417 -6.138 -10.793 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.917 -5.477 -9.352 1.00 0.00 N ATOM 0 H ASN A 62 5.628 -5.161 -8.489 1.00 0.00 H new ATOM 0 HA ASN A 62 7.931 -3.519 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.193 -3.943 -10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.755 -3.148 -10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.387 -6.381 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.281 -4.741 -8.747 1.00 0.00 H new ATOM 1024 N ASN A 63 5.116 -1.959 -8.751 1.00 0.00 N ATOM 1025 CA ASN A 63 4.475 -0.615 -8.707 1.00 0.00 C ATOM 1026 C ASN A 63 4.503 -0.076 -7.276 1.00 0.00 C ATOM 1027 O ASN A 63 4.711 1.098 -7.048 1.00 0.00 O ATOM 1028 CB ASN A 63 3.022 -0.730 -9.174 1.00 0.00 C ATOM 1029 CG ASN A 63 2.984 -1.253 -10.610 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.833 -0.918 -11.414 1.00 0.00 O ATOM 1031 ND2 ASN A 63 2.028 -2.064 -10.971 1.00 0.00 N ATOM 0 H ASN A 63 4.496 -2.726 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 63 5.020 0.065 -9.361 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.470 -1.402 -8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.533 0.243 -9.118 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.993 -2.417 -11.927 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.316 -2.345 -10.297 1.00 0.00 H new ATOM 1038 N MET A 64 4.286 -0.927 -6.310 1.00 0.00 N ATOM 1039 CA MET A 64 4.290 -0.465 -4.895 1.00 0.00 C ATOM 1040 C MET A 64 5.669 0.081 -4.522 1.00 0.00 C ATOM 1041 O MET A 64 5.783 1.047 -3.794 1.00 0.00 O ATOM 1042 CB MET A 64 3.933 -1.635 -3.976 1.00 0.00 C ATOM 1043 CG MET A 64 2.455 -1.993 -4.159 1.00 0.00 C ATOM 1044 SD MET A 64 1.427 -0.619 -3.578 1.00 0.00 S ATOM 1045 CE MET A 64 -0.163 -1.238 -4.181 1.00 0.00 C ATOM 0 H MET A 64 4.106 -1.922 -6.441 1.00 0.00 H new ATOM 0 HA MET A 64 3.553 0.330 -4.778 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.559 -2.497 -4.207 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.128 -1.369 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.247 -2.199 -5.209 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.217 -2.900 -3.603 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.794 -0.398 -4.471 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.001 -1.883 -5.044 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.655 -1.806 -3.392 1.00 0.00 H new ATOM 1055 N SER A 65 6.720 -0.519 -5.011 1.00 0.00 N ATOM 1056 CA SER A 65 8.077 -0.008 -4.667 1.00 0.00 C ATOM 1057 C SER A 65 8.207 1.430 -5.168 1.00 0.00 C ATOM 1058 O SER A 65 8.741 2.288 -4.496 1.00 0.00 O ATOM 1059 CB SER A 65 9.138 -0.882 -5.338 1.00 0.00 C ATOM 1060 OG SER A 65 9.079 -0.692 -6.745 1.00 0.00 O ATOM 0 H SER A 65 6.699 -1.332 -5.627 1.00 0.00 H new ATOM 0 HA SER A 65 8.220 -0.037 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.129 -0.622 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.970 -1.931 -5.093 1.00 0.00 H new ATOM 0 HG SER A 65 8.299 -1.162 -7.106 1.00 0.00 H new ATOM 1066 N GLU A 66 7.705 1.697 -6.340 1.00 0.00 N ATOM 1067 CA GLU A 66 7.777 3.078 -6.889 1.00 0.00 C ATOM 1068 C GLU A 66 6.776 3.968 -6.151 1.00 0.00 C ATOM 1069 O GLU A 66 6.969 5.158 -6.010 1.00 0.00 O ATOM 1070 CB GLU A 66 7.437 3.056 -8.381 1.00 0.00 C ATOM 1071 CG GLU A 66 7.639 4.452 -8.972 1.00 0.00 C ATOM 1072 CD GLU A 66 9.131 4.790 -8.986 1.00 0.00 C ATOM 1073 OE1 GLU A 66 9.927 3.865 -9.002 1.00 0.00 O ATOM 1074 OE2 GLU A 66 9.452 5.966 -8.980 1.00 0.00 O ATOM 0 H GLU A 66 7.246 1.015 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 66 8.785 3.471 -6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.070 2.336 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.405 2.735 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.237 4.491 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.094 5.190 -8.384 1.00 0.00 H new ATOM 1081 N TYR A 67 5.696 3.395 -5.695 1.00 0.00 N ATOM 1082 CA TYR A 67 4.663 4.197 -4.979 1.00 0.00 C ATOM 1083 C TYR A 67 5.281 4.909 -3.772 1.00 0.00 C ATOM 1084 O TYR A 67 5.035 6.077 -3.541 1.00 0.00 O ATOM 1085 CB TYR A 67 3.538 3.258 -4.518 1.00 0.00 C ATOM 1086 CG TYR A 67 2.541 4.006 -3.659 1.00 0.00 C ATOM 1087 CD1 TYR A 67 1.957 5.193 -4.117 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.203 3.504 -2.396 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.039 5.877 -3.315 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.283 4.189 -1.593 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.701 5.376 -2.053 1.00 0.00 C ATOM 1092 OH TYR A 67 -0.205 6.053 -1.261 1.00 0.00 O ATOM 0 H TYR A 67 5.484 2.402 -5.788 1.00 0.00 H new ATOM 0 HA TYR A 67 4.260 4.954 -5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.033 2.833 -5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.959 2.425 -3.955 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.216 5.581 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.652 2.588 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.590 6.793 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.023 3.802 -0.619 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.435 5.503 -0.483 1.00 0.00 H new ATOM 1102 N LEU A 68 6.078 4.226 -2.999 1.00 0.00 N ATOM 1103 CA LEU A 68 6.701 4.880 -1.813 1.00 0.00 C ATOM 1104 C LEU A 68 7.816 5.829 -2.253 1.00 0.00 C ATOM 1105 O LEU A 68 7.966 6.913 -1.724 1.00 0.00 O ATOM 1106 CB LEU A 68 7.273 3.806 -0.888 1.00 0.00 C ATOM 1107 CG LEU A 68 6.150 3.239 -0.020 1.00 0.00 C ATOM 1108 CD1 LEU A 68 4.982 2.809 -0.906 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.666 2.028 0.758 1.00 0.00 C ATOM 0 H LEU A 68 6.325 3.246 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 68 5.942 5.456 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.732 3.010 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.056 4.230 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 68 5.814 4.006 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.183 2.405 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.610 3.670 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.319 2.044 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.864 1.624 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.005 1.264 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.497 2.332 1.394 1.00 0.00 H new ATOM 1121 N THR A 69 8.607 5.431 -3.208 1.00 0.00 N ATOM 1122 CA THR A 69 9.718 6.314 -3.667 1.00 0.00 C ATOM 1123 C THR A 69 9.152 7.519 -4.422 1.00 0.00 C ATOM 1124 O THR A 69 9.586 8.639 -4.235 1.00 0.00 O ATOM 1125 CB THR A 69 10.647 5.525 -4.594 1.00 0.00 C ATOM 1126 OG1 THR A 69 9.948 5.186 -5.784 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.108 4.249 -3.889 1.00 0.00 C ATOM 0 H THR A 69 8.534 4.535 -3.691 1.00 0.00 H new ATOM 0 HA THR A 69 10.276 6.665 -2.799 1.00 0.00 H new ATOM 0 HB THR A 69 11.516 6.133 -4.844 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.541 4.682 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.769 3.687 -4.549 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.643 4.511 -2.976 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.241 3.638 -3.639 1.00 0.00 H new ATOM 1135 N ASN A 70 8.187 7.303 -5.273 1.00 0.00 N ATOM 1136 CA ASN A 70 7.597 8.441 -6.036 1.00 0.00 C ATOM 1137 C ASN A 70 6.114 8.170 -6.293 1.00 0.00 C ATOM 1138 O ASN A 70 5.707 7.042 -6.489 1.00 0.00 O ATOM 1139 CB ASN A 70 8.326 8.590 -7.374 1.00 0.00 C ATOM 1140 CG ASN A 70 9.810 8.860 -7.123 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.162 9.619 -6.240 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.704 8.265 -7.864 1.00 0.00 N ATOM 0 H ASN A 70 7.781 6.389 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 70 7.704 9.359 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.206 7.684 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.889 9.407 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.696 8.437 -7.702 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.410 7.628 -8.605 1.00 0.00 H new ATOM 1149 N HIS A 71 5.304 9.194 -6.301 1.00 0.00 N ATOM 1150 CA HIS A 71 3.849 8.990 -6.551 1.00 0.00 C ATOM 1151 C HIS A 71 3.143 10.345 -6.629 1.00 0.00 C ATOM 1152 O HIS A 71 2.292 10.654 -5.818 1.00 0.00 O ATOM 1153 CB HIS A 71 3.249 8.174 -5.406 1.00 0.00 C ATOM 1154 CG HIS A 71 3.454 8.904 -4.109 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.672 9.475 -3.766 1.00 0.00 N ATOM 1156 CD2 HIS A 71 2.609 9.164 -3.058 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.527 10.045 -2.554 1.00 0.00 C ATOM 1158 NE2 HIS A 71 3.290 9.882 -2.082 1.00 0.00 N ATOM 0 H HIS A 71 5.587 10.162 -6.145 1.00 0.00 H new ATOM 0 HA HIS A 71 3.716 8.458 -7.493 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.185 8.011 -5.580 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.719 7.191 -5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.575 8.858 -2.999 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.313 10.568 -2.030 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.921 10.215 -1.191 1.00 0.00 H new ATOM 1167 N ALA A 72 3.489 11.155 -7.595 1.00 0.00 N ATOM 1168 CA ALA A 72 2.837 12.492 -7.721 1.00 0.00 C ATOM 1169 C ALA A 72 2.048 12.570 -9.032 1.00 0.00 C ATOM 1170 O ALA A 72 0.906 12.172 -9.102 1.00 0.00 O ATOM 1171 CB ALA A 72 3.910 13.582 -7.710 1.00 0.00 C ATOM 0 H ALA A 72 4.195 10.949 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 72 2.154 12.637 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.437 14.560 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.467 13.535 -6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.592 13.429 -8.546 1.00 0.00 H new ATOM 1177 N LYS A 73 2.646 13.093 -10.067 1.00 0.00 N ATOM 1178 CA LYS A 73 1.926 13.210 -11.370 1.00 0.00 C ATOM 1179 C LYS A 73 1.543 11.822 -11.895 1.00 0.00 C ATOM 1180 O LYS A 73 0.511 11.642 -12.511 1.00 0.00 O ATOM 1181 CB LYS A 73 2.840 13.896 -12.388 1.00 0.00 C ATOM 1182 CG LYS A 73 3.147 15.321 -11.921 1.00 0.00 C ATOM 1183 CD LYS A 73 3.981 16.038 -12.987 1.00 0.00 C ATOM 1184 CE LYS A 73 4.405 17.412 -12.466 1.00 0.00 C ATOM 1185 NZ LYS A 73 5.871 17.590 -12.669 1.00 0.00 N ATOM 0 H LYS A 73 3.603 13.445 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 73 1.019 13.796 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.766 13.331 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.360 13.918 -13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.219 15.865 -11.743 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.689 15.297 -10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.861 15.444 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.402 16.148 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.857 18.196 -12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.160 17.503 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.160 18.524 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.386 16.849 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.092 17.521 -13.683 1.00 0.00 H new ATOM 1199 N TYR A 74 2.376 10.846 -11.670 1.00 0.00 N ATOM 1200 CA TYR A 74 2.084 9.469 -12.170 1.00 0.00 C ATOM 1201 C TYR A 74 0.757 8.948 -11.596 1.00 0.00 C ATOM 1202 O TYR A 74 -0.061 8.401 -12.309 1.00 0.00 O ATOM 1203 CB TYR A 74 3.239 8.555 -11.753 1.00 0.00 C ATOM 1204 CG TYR A 74 2.817 7.105 -11.786 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.943 6.635 -12.774 1.00 0.00 C ATOM 1206 CD2 TYR A 74 3.314 6.226 -10.819 1.00 0.00 C ATOM 1207 CE1 TYR A 74 1.568 5.286 -12.790 1.00 0.00 C ATOM 1208 CE2 TYR A 74 2.939 4.880 -10.831 1.00 0.00 C ATOM 1209 CZ TYR A 74 2.065 4.408 -11.818 1.00 0.00 C ATOM 1210 OH TYR A 74 1.696 3.078 -11.834 1.00 0.00 O ATOM 0 H TYR A 74 3.253 10.941 -11.158 1.00 0.00 H new ATOM 0 HA TYR A 74 1.988 9.485 -13.256 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.087 8.706 -12.421 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.572 8.818 -10.749 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.559 7.312 -13.523 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.991 6.589 -10.059 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.895 4.922 -13.552 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.323 4.205 -10.080 1.00 0.00 H new ATOM 0 HH TYR A 74 2.131 2.609 -11.092 1.00 0.00 H new ATOM 1220 N ILE A 75 0.542 9.108 -10.318 1.00 0.00 N ATOM 1221 CA ILE A 75 -0.731 8.616 -9.693 1.00 0.00 C ATOM 1222 C ILE A 75 -1.480 9.812 -9.089 1.00 0.00 C ATOM 1223 O ILE A 75 -0.973 10.913 -9.079 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.389 7.597 -8.593 1.00 0.00 C ATOM 1225 CG1 ILE A 75 1.129 7.477 -8.471 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -0.965 6.213 -8.937 1.00 0.00 C ATOM 1227 CD1 ILE A 75 1.475 6.331 -7.525 1.00 0.00 C ATOM 0 H ILE A 75 1.192 9.559 -9.674 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.361 8.136 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.823 7.942 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.570 7.299 -9.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.549 8.411 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.712 5.507 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.049 6.282 -9.028 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.543 5.868 -9.881 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.558 6.245 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.047 6.528 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.068 5.399 -7.918 1.00 0.00 H new ATOM 1239 N PRO A 76 -2.681 9.620 -8.594 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.469 10.734 -8.001 1.00 0.00 C ATOM 1241 C PRO A 76 -2.631 11.586 -7.044 1.00 0.00 C ATOM 1242 O PRO A 76 -1.739 11.096 -6.380 1.00 0.00 O ATOM 1243 CB PRO A 76 -4.593 10.027 -7.245 1.00 0.00 C ATOM 1244 CG PRO A 76 -4.780 8.723 -7.950 1.00 0.00 C ATOM 1245 CD PRO A 76 -3.422 8.344 -8.541 1.00 0.00 C ATOM 0 HA PRO A 76 -3.829 11.426 -8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.328 9.874 -6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.509 10.617 -7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.129 7.956 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.532 8.811 -8.734 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.908 7.611 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.528 7.904 -9.532 1.00 0.00 H new ATOM 1253 N GLY A 77 -2.910 12.857 -6.973 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.130 13.744 -6.064 1.00 0.00 C ATOM 1255 C GLY A 77 -2.240 13.232 -4.627 1.00 0.00 C ATOM 1256 O GLY A 77 -1.706 13.819 -3.709 1.00 0.00 O ATOM 0 H GLY A 77 -3.646 13.321 -7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.085 13.769 -6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.505 14.765 -6.126 1.00 0.00 H new ATOM 1260 N THR A 78 -2.933 12.144 -4.428 1.00 0.00 N ATOM 1261 CA THR A 78 -3.087 11.588 -3.054 1.00 0.00 C ATOM 1262 C THR A 78 -1.745 11.627 -2.317 1.00 0.00 C ATOM 1263 O THR A 78 -0.991 10.674 -2.329 1.00 0.00 O ATOM 1264 CB THR A 78 -3.563 10.138 -3.151 1.00 0.00 C ATOM 1265 OG1 THR A 78 -3.724 9.605 -1.843 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.528 9.314 -3.918 1.00 0.00 C ATOM 0 H THR A 78 -3.402 11.614 -5.163 1.00 0.00 H new ATOM 0 HA THR A 78 -3.814 12.186 -2.505 1.00 0.00 H new ATOM 0 HB THR A 78 -4.517 10.100 -3.677 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.404 8.679 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.866 8.280 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.406 9.725 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.573 9.349 -3.393 1.00 0.00 H new ATOM 1274 N LYS A 79 -1.447 12.717 -1.665 1.00 0.00 N ATOM 1275 CA LYS A 79 -0.161 12.812 -0.918 1.00 0.00 C ATOM 1276 C LYS A 79 -0.138 11.750 0.184 1.00 0.00 C ATOM 1277 O LYS A 79 0.907 11.270 0.575 1.00 0.00 O ATOM 1278 CB LYS A 79 -0.034 14.204 -0.295 1.00 0.00 C ATOM 1279 CG LYS A 79 0.060 15.251 -1.407 1.00 0.00 C ATOM 1280 CD LYS A 79 0.310 16.629 -0.792 1.00 0.00 C ATOM 1281 CE LYS A 79 0.304 17.689 -1.895 1.00 0.00 C ATOM 1282 NZ LYS A 79 1.290 18.756 -1.564 1.00 0.00 N ATOM 0 H LYS A 79 -2.039 13.546 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 79 0.673 12.646 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.895 14.410 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.851 14.251 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.867 14.996 -2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.862 15.263 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.459 16.854 -0.053 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.267 16.638 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.553 17.233 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.693 18.119 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.286 19.477 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.033 19.197 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.240 18.340 -1.489 1.00 0.00 H new ATOM 1296 N MET A 80 -1.287 11.392 0.690 1.00 0.00 N ATOM 1297 CA MET A 80 -1.354 10.368 1.772 1.00 0.00 C ATOM 1298 C MET A 80 -0.606 10.881 3.006 1.00 0.00 C ATOM 1299 O MET A 80 0.480 11.418 2.911 1.00 0.00 O ATOM 1300 CB MET A 80 -0.736 9.052 1.283 1.00 0.00 C ATOM 1301 CG MET A 80 -1.066 7.927 2.269 1.00 0.00 C ATOM 1302 SD MET A 80 -0.967 6.326 1.427 1.00 0.00 S ATOM 1303 CE MET A 80 0.798 6.038 1.692 1.00 0.00 C ATOM 0 H MET A 80 -2.189 11.768 0.398 1.00 0.00 H new ATOM 0 HA MET A 80 -2.395 10.186 2.037 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.120 8.805 0.293 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.344 9.160 1.188 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.371 7.951 3.108 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.066 8.072 2.679 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.216 5.522 0.828 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.306 6.993 1.825 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.937 5.426 2.583 1.00 0.00 H new ATOM 1313 N ALA A 81 -1.193 10.732 4.163 1.00 0.00 N ATOM 1314 CA ALA A 81 -0.543 11.221 5.414 1.00 0.00 C ATOM 1315 C ALA A 81 0.778 10.483 5.655 1.00 0.00 C ATOM 1316 O ALA A 81 1.668 10.992 6.308 1.00 0.00 O ATOM 1317 CB ALA A 81 -1.479 10.982 6.599 1.00 0.00 C ATOM 0 H ALA A 81 -2.102 10.289 4.296 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.338 12.287 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.006 11.339 7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.413 11.521 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.686 9.916 6.690 1.00 0.00 H new ATOM 1323 N PHE A 82 0.915 9.290 5.146 1.00 0.00 N ATOM 1324 CA PHE A 82 2.182 8.538 5.370 1.00 0.00 C ATOM 1325 C PHE A 82 3.254 9.079 4.420 1.00 0.00 C ATOM 1326 O PHE A 82 3.052 9.165 3.225 1.00 0.00 O ATOM 1327 CB PHE A 82 1.937 7.052 5.091 1.00 0.00 C ATOM 1328 CG PHE A 82 3.054 6.224 5.682 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.133 6.051 7.070 1.00 0.00 C ATOM 1330 CD2 PHE A 82 3.999 5.615 4.847 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.156 5.271 7.621 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.024 4.836 5.400 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.101 4.665 6.788 1.00 0.00 C ATOM 0 H PHE A 82 0.211 8.806 4.589 1.00 0.00 H new ATOM 0 HA PHE A 82 2.517 8.659 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.982 6.746 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.876 6.881 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.404 6.520 7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.938 5.746 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.215 5.137 8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.754 4.368 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.891 4.065 7.215 1.00 0.00 H new ATOM 1343 N GLY A 83 4.387 9.460 4.946 1.00 0.00 N ATOM 1344 CA GLY A 83 5.469 10.012 4.079 1.00 0.00 C ATOM 1345 C GLY A 83 6.414 8.892 3.646 1.00 0.00 C ATOM 1346 O GLY A 83 7.546 9.133 3.276 1.00 0.00 O ATOM 0 H GLY A 83 4.611 9.413 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.034 10.492 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.024 10.779 4.620 1.00 0.00 H new ATOM 1350 N GLY A 84 5.966 7.670 3.690 1.00 0.00 N ATOM 1351 CA GLY A 84 6.846 6.541 3.281 1.00 0.00 C ATOM 1352 C GLY A 84 7.642 6.052 4.492 1.00 0.00 C ATOM 1353 O GLY A 84 7.397 6.456 5.610 1.00 0.00 O ATOM 0 H GLY A 84 5.029 7.404 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.246 5.727 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.525 6.863 2.491 1.00 0.00 H new ATOM 1357 N LEU A 85 8.588 5.179 4.276 1.00 0.00 N ATOM 1358 CA LEU A 85 9.394 4.653 5.413 1.00 0.00 C ATOM 1359 C LEU A 85 10.806 5.231 5.385 1.00 0.00 C ATOM 1360 O LEU A 85 11.472 5.228 4.369 1.00 0.00 O ATOM 1361 CB LEU A 85 9.479 3.132 5.303 1.00 0.00 C ATOM 1362 CG LEU A 85 8.275 2.503 6.001 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.005 1.119 5.415 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.565 2.369 7.498 1.00 0.00 C ATOM 0 H LEU A 85 8.837 4.807 3.360 1.00 0.00 H new ATOM 0 HA LEU A 85 8.913 4.942 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.502 2.833 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.403 2.775 5.757 1.00 0.00 H new ATOM 0 HG LEU A 85 7.402 3.138 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.145 0.673 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.797 1.210 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.879 0.485 5.562 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.706 1.920 7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.440 1.736 7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.756 3.355 7.921 1.00 0.00 H new ATOM 1376 N LYS A 86 11.279 5.705 6.505 1.00 0.00 N ATOM 1377 CA LYS A 86 12.658 6.256 6.552 1.00 0.00 C ATOM 1378 C LYS A 86 13.636 5.138 6.186 1.00 0.00 C ATOM 1379 O LYS A 86 14.647 5.363 5.551 1.00 0.00 O ATOM 1380 CB LYS A 86 12.960 6.761 7.965 1.00 0.00 C ATOM 1381 CG LYS A 86 12.020 7.921 8.303 1.00 0.00 C ATOM 1382 CD LYS A 86 12.388 8.494 9.672 1.00 0.00 C ATOM 1383 CE LYS A 86 11.368 9.564 10.070 1.00 0.00 C ATOM 1384 NZ LYS A 86 11.764 10.873 9.475 1.00 0.00 N ATOM 0 H LYS A 86 10.769 5.734 7.388 1.00 0.00 H new ATOM 0 HA LYS A 86 12.756 7.085 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.833 5.954 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.998 7.088 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.094 8.697 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.986 7.576 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.406 7.699 10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.389 8.925 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.374 9.281 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.316 9.647 11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.072 11.601 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.705 11.143 9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.792 10.789 8.439 1.00 0.00 H new ATOM 1398 N LYS A 87 13.332 3.929 6.583 1.00 0.00 N ATOM 1399 CA LYS A 87 14.230 2.785 6.258 1.00 0.00 C ATOM 1400 C LYS A 87 13.599 1.938 5.150 1.00 0.00 C ATOM 1401 O LYS A 87 12.498 1.441 5.279 1.00 0.00 O ATOM 1402 CB LYS A 87 14.434 1.925 7.507 1.00 0.00 C ATOM 1403 CG LYS A 87 15.172 2.738 8.571 1.00 0.00 C ATOM 1404 CD LYS A 87 15.485 1.845 9.773 1.00 0.00 C ATOM 1405 CE LYS A 87 16.120 2.687 10.881 1.00 0.00 C ATOM 1406 NZ LYS A 87 16.479 1.807 12.030 1.00 0.00 N ATOM 0 H LYS A 87 12.499 3.686 7.119 1.00 0.00 H new ATOM 0 HA LYS A 87 15.194 3.165 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.471 1.591 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.005 1.031 7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.095 3.145 8.157 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.562 3.585 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.572 1.374 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.162 1.043 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.009 3.192 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.426 3.463 11.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.911 2.379 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.622 1.345 12.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.155 1.083 11.714 1.00 0.00 H new ATOM 1420 N GLU A 88 14.294 1.780 4.060 1.00 0.00 N ATOM 1421 CA GLU A 88 13.758 0.974 2.926 1.00 0.00 C ATOM 1422 C GLU A 88 13.593 -0.489 3.345 1.00 0.00 C ATOM 1423 O GLU A 88 12.698 -1.174 2.891 1.00 0.00 O ATOM 1424 CB GLU A 88 14.726 1.057 1.744 1.00 0.00 C ATOM 1425 CG GLU A 88 14.113 0.352 0.531 1.00 0.00 C ATOM 1426 CD GLU A 88 15.122 0.341 -0.618 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.215 0.848 -0.426 1.00 0.00 O ATOM 1428 OE2 GLU A 88 14.785 -0.175 -1.672 1.00 0.00 O ATOM 0 H GLU A 88 15.220 2.178 3.903 1.00 0.00 H new ATOM 0 HA GLU A 88 12.785 1.371 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.936 2.100 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.677 0.593 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.834 -0.668 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.201 0.863 0.223 1.00 0.00 H new ATOM 1435 N LYS A 89 14.450 -0.984 4.195 1.00 0.00 N ATOM 1436 CA LYS A 89 14.331 -2.405 4.618 1.00 0.00 C ATOM 1437 C LYS A 89 12.933 -2.649 5.185 1.00 0.00 C ATOM 1438 O LYS A 89 12.319 -3.672 4.945 1.00 0.00 O ATOM 1439 CB LYS A 89 15.378 -2.701 5.691 1.00 0.00 C ATOM 1440 CG LYS A 89 16.778 -2.569 5.087 1.00 0.00 C ATOM 1441 CD LYS A 89 17.823 -2.977 6.126 1.00 0.00 C ATOM 1442 CE LYS A 89 19.224 -2.738 5.563 1.00 0.00 C ATOM 1443 NZ LYS A 89 20.174 -3.719 6.162 1.00 0.00 N ATOM 0 H LYS A 89 15.224 -0.467 4.613 1.00 0.00 H new ATOM 0 HA LYS A 89 14.494 -3.059 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.264 -2.010 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.234 -3.706 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.865 -3.199 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.951 -1.542 4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.685 -2.402 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.699 -4.028 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.214 -2.841 4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.548 -1.721 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.127 -3.557 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.191 -3.600 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.867 -4.685 5.930 1.00 0.00 H new ATOM 1457 N ASP A 90 12.417 -1.711 5.927 1.00 0.00 N ATOM 1458 CA ASP A 90 11.058 -1.878 6.497 1.00 0.00 C ATOM 1459 C ASP A 90 10.053 -2.031 5.355 1.00 0.00 C ATOM 1460 O ASP A 90 9.095 -2.772 5.450 1.00 0.00 O ATOM 1461 CB ASP A 90 10.706 -0.644 7.329 1.00 0.00 C ATOM 1462 CG ASP A 90 11.614 -0.581 8.559 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.277 -1.567 8.832 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.630 0.452 9.206 1.00 0.00 O ATOM 0 H ASP A 90 12.881 -0.834 6.163 1.00 0.00 H new ATOM 0 HA ASP A 90 11.027 -2.764 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.826 0.258 6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.661 -0.686 7.637 1.00 0.00 H new ATOM 1469 N ARG A 91 10.263 -1.329 4.274 1.00 0.00 N ATOM 1470 CA ARG A 91 9.319 -1.425 3.125 1.00 0.00 C ATOM 1471 C ARG A 91 9.278 -2.862 2.605 1.00 0.00 C ATOM 1472 O ARG A 91 8.230 -3.385 2.291 1.00 0.00 O ATOM 1473 CB ARG A 91 9.788 -0.501 2.000 1.00 0.00 C ATOM 1474 CG ARG A 91 9.781 0.947 2.488 1.00 0.00 C ATOM 1475 CD ARG A 91 10.160 1.878 1.335 1.00 0.00 C ATOM 1476 NE ARG A 91 10.332 3.265 1.853 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.084 4.114 1.207 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.685 3.747 0.109 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.234 5.329 1.659 1.00 0.00 N ATOM 0 H ARG A 91 11.048 -0.693 4.138 1.00 0.00 H new ATOM 0 HA ARG A 91 8.324 -1.129 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.791 -0.782 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.135 -0.606 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.794 1.208 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.484 1.067 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.083 1.536 0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.386 1.858 0.568 1.00 0.00 H new ATOM 0 HE ARG A 91 9.862 3.551 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.567 2.797 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.273 4.410 -0.397 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.763 5.615 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.822 5.992 1.154 1.00 0.00 H new ATOM 1493 N ASN A 92 10.406 -3.504 2.507 1.00 0.00 N ATOM 1494 CA ASN A 92 10.415 -4.899 1.996 1.00 0.00 C ATOM 1495 C ASN A 92 9.463 -5.751 2.833 1.00 0.00 C ATOM 1496 O ASN A 92 8.677 -6.517 2.313 1.00 0.00 O ATOM 1497 CB ASN A 92 11.831 -5.464 2.098 1.00 0.00 C ATOM 1498 CG ASN A 92 12.762 -4.677 1.173 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.310 -3.980 0.286 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.053 -4.759 1.344 1.00 0.00 N ATOM 0 H ASN A 92 11.319 -3.124 2.758 1.00 0.00 H new ATOM 0 HA ASN A 92 10.092 -4.911 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.186 -5.402 3.127 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.834 -6.519 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.682 -4.238 0.733 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.433 -5.344 2.088 1.00 0.00 H new ATOM 1507 N ASP A 93 9.519 -5.617 4.125 1.00 0.00 N ATOM 1508 CA ASP A 93 8.612 -6.409 4.994 1.00 0.00 C ATOM 1509 C ASP A 93 7.177 -5.893 4.851 1.00 0.00 C ATOM 1510 O ASP A 93 6.226 -6.646 4.914 1.00 0.00 O ATOM 1511 CB ASP A 93 9.063 -6.275 6.447 1.00 0.00 C ATOM 1512 CG ASP A 93 10.436 -6.926 6.619 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.845 -7.644 5.721 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.056 -6.697 7.645 1.00 0.00 O ATOM 0 H ASP A 93 10.156 -4.991 4.618 1.00 0.00 H new ATOM 0 HA ASP A 93 8.646 -7.457 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.110 -5.223 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.339 -6.750 7.109 1.00 0.00 H new ATOM 1519 N LEU A 94 7.017 -4.609 4.683 1.00 0.00 N ATOM 1520 CA LEU A 94 5.645 -4.034 4.562 1.00 0.00 C ATOM 1521 C LEU A 94 4.978 -4.491 3.264 1.00 0.00 C ATOM 1522 O LEU A 94 3.862 -4.968 3.266 1.00 0.00 O ATOM 1523 CB LEU A 94 5.740 -2.510 4.562 1.00 0.00 C ATOM 1524 CG LEU A 94 4.340 -1.907 4.681 1.00 0.00 C ATOM 1525 CD1 LEU A 94 3.730 -2.293 6.028 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.431 -0.384 4.590 1.00 0.00 C ATOM 0 H LEU A 94 7.777 -3.932 4.624 1.00 0.00 H new ATOM 0 HA LEU A 94 5.046 -4.379 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.363 -2.175 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.218 -2.166 3.645 1.00 0.00 H new ATOM 0 HG LEU A 94 3.714 -2.287 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.732 -1.863 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.664 -3.379 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.358 -1.913 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.433 0.046 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.058 -0.008 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.867 -0.102 3.632 1.00 0.00 H new ATOM 1538 N ILE A 95 5.645 -4.341 2.154 1.00 0.00 N ATOM 1539 CA ILE A 95 5.034 -4.761 0.866 1.00 0.00 C ATOM 1540 C ILE A 95 4.654 -6.239 0.943 1.00 0.00 C ATOM 1541 O ILE A 95 3.585 -6.636 0.524 1.00 0.00 O ATOM 1542 CB ILE A 95 6.035 -4.540 -0.271 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.417 -3.054 -0.360 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.407 -4.977 -1.589 1.00 0.00 C ATOM 1545 CD1 ILE A 95 5.158 -2.189 -0.467 1.00 0.00 C ATOM 0 H ILE A 95 6.583 -3.947 2.084 1.00 0.00 H new ATOM 0 HA ILE A 95 4.139 -4.169 0.675 1.00 0.00 H new ATOM 0 HB ILE A 95 6.932 -5.128 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.991 -2.765 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.056 -2.887 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.118 -4.821 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.145 -6.034 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.508 -4.390 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.442 -1.139 -0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.600 -2.468 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.534 -2.344 0.413 1.00 0.00 H new ATOM 1557 N THR A 96 5.514 -7.057 1.479 1.00 0.00 N ATOM 1558 CA THR A 96 5.189 -8.506 1.582 1.00 0.00 C ATOM 1559 C THR A 96 3.887 -8.677 2.372 1.00 0.00 C ATOM 1560 O THR A 96 3.035 -9.468 2.021 1.00 0.00 O ATOM 1561 CB THR A 96 6.323 -9.232 2.311 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.561 -8.914 1.692 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.091 -10.742 2.245 1.00 0.00 C ATOM 0 H THR A 96 6.425 -6.787 1.849 1.00 0.00 H new ATOM 0 HA THR A 96 5.071 -8.926 0.583 1.00 0.00 H new ATOM 0 HB THR A 96 6.346 -8.916 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.922 -8.092 2.086 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.899 -11.257 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.141 -10.985 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.068 -11.061 1.203 1.00 0.00 H new ATOM 1571 N TYR A 97 3.729 -7.937 3.437 1.00 0.00 N ATOM 1572 CA TYR A 97 2.485 -8.057 4.250 1.00 0.00 C ATOM 1573 C TYR A 97 1.268 -7.666 3.408 1.00 0.00 C ATOM 1574 O TYR A 97 0.237 -8.307 3.460 1.00 0.00 O ATOM 1575 CB TYR A 97 2.574 -7.133 5.465 1.00 0.00 C ATOM 1576 CG TYR A 97 1.325 -7.289 6.299 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.244 -8.305 7.258 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.245 -6.419 6.107 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.083 -8.452 8.025 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.916 -6.565 6.875 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.998 -7.582 7.833 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.142 -7.727 8.589 1.00 0.00 O ATOM 0 H TYR A 97 4.407 -7.256 3.778 1.00 0.00 H new ATOM 0 HA TYR A 97 2.378 -9.090 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.455 -7.377 6.059 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.683 -6.098 5.142 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.078 -8.976 7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.308 -5.635 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.020 -9.236 8.765 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.749 -5.893 6.728 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.794 -7.042 8.331 1.00 0.00 H new ATOM 1592 N LEU A 98 1.373 -6.618 2.635 1.00 0.00 N ATOM 1593 CA LEU A 98 0.216 -6.196 1.803 1.00 0.00 C ATOM 1594 C LEU A 98 -0.186 -7.340 0.877 1.00 0.00 C ATOM 1595 O LEU A 98 -1.353 -7.563 0.623 1.00 0.00 O ATOM 1596 CB LEU A 98 0.604 -4.969 0.977 1.00 0.00 C ATOM 1597 CG LEU A 98 0.978 -3.818 1.914 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.333 -2.583 1.085 1.00 0.00 C ATOM 1599 CD2 LEU A 98 -0.209 -3.492 2.824 1.00 0.00 C ATOM 0 H LEU A 98 2.208 -6.039 2.546 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.626 -5.942 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.444 -5.208 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.225 -4.674 0.334 1.00 0.00 H new ATOM 0 HG LEU A 98 1.834 -4.110 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.600 -1.762 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.177 -2.812 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.475 -2.294 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.058 -2.672 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.065 -3.200 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.467 -4.371 3.415 1.00 0.00 H new ATOM 1611 N LYS A 99 0.764 -8.078 0.381 1.00 0.00 N ATOM 1612 CA LYS A 99 0.415 -9.214 -0.511 1.00 0.00 C ATOM 1613 C LYS A 99 -0.516 -10.153 0.255 1.00 0.00 C ATOM 1614 O LYS A 99 -1.476 -10.672 -0.279 1.00 0.00 O ATOM 1615 CB LYS A 99 1.687 -9.965 -0.912 1.00 0.00 C ATOM 1616 CG LYS A 99 1.337 -11.057 -1.927 1.00 0.00 C ATOM 1617 CD LYS A 99 2.619 -11.743 -2.410 1.00 0.00 C ATOM 1618 CE LYS A 99 3.272 -12.514 -1.257 1.00 0.00 C ATOM 1619 NZ LYS A 99 2.225 -13.210 -0.457 1.00 0.00 N ATOM 0 H LYS A 99 1.761 -7.945 0.553 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.076 -8.848 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.411 -9.272 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.153 -10.408 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.670 -11.790 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.804 -10.623 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.389 -12.424 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.314 -10.999 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.984 -13.239 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.833 -11.829 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.661 -13.979 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.777 -12.533 0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.505 -13.604 -1.096 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.238 -10.364 1.512 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.102 -11.256 2.332 1.00 0.00 C ATOM 1635 C LYS A 100 -2.509 -10.663 2.433 1.00 0.00 C ATOM 1636 O LYS A 100 -3.491 -11.377 2.468 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.507 -11.399 3.734 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.317 -12.424 4.530 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.675 -12.630 5.904 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.801 -11.347 6.730 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.877 -11.696 8.177 1.00 0.00 N ATOM 0 H LYS A 100 0.554 -9.955 2.008 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.157 -12.236 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.534 -11.714 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.517 -10.436 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.345 -12.080 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.356 -13.370 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.160 -13.457 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.375 -12.898 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.054 -10.697 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.692 -10.794 6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.789 -11.379 8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.793 -12.726 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.102 -11.227 8.688 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.618 -9.362 2.494 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.964 -8.736 2.607 1.00 0.00 C ATOM 1657 C ALA A 101 -4.812 -9.112 1.390 1.00 0.00 C ATOM 1658 O ALA A 101 -6.002 -9.327 1.496 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.818 -7.215 2.684 1.00 0.00 C ATOM 0 H ALA A 101 -1.835 -8.709 2.470 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.454 -9.097 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.804 -6.759 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.221 -6.950 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.324 -6.851 1.783 1.00 0.00 H new ATOM 1665 N THR A 102 -4.211 -9.197 0.235 1.00 0.00 N ATOM 1666 CA THR A 102 -4.991 -9.563 -0.980 1.00 0.00 C ATOM 1667 C THR A 102 -5.345 -11.052 -0.926 1.00 0.00 C ATOM 1668 O THR A 102 -6.373 -11.473 -1.419 1.00 0.00 O ATOM 1669 CB THR A 102 -4.163 -9.260 -2.236 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.016 -8.729 -3.240 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.498 -10.538 -2.756 1.00 0.00 C ATOM 0 H THR A 102 -3.217 -9.029 0.081 1.00 0.00 H new ATOM 0 HA THR A 102 -5.910 -8.978 -1.016 1.00 0.00 H new ATOM 0 HB THR A 102 -3.387 -8.537 -1.986 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.029 -9.333 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.914 -10.308 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.841 -10.945 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.265 -11.272 -3.004 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.500 -11.850 -0.330 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.783 -13.311 -0.242 1.00 0.00 C ATOM 1681 C GLU A 103 -5.351 -13.805 -1.575 1.00 0.00 C ATOM 1682 O GLU A 103 -6.546 -13.797 -1.792 1.00 0.00 O ATOM 1683 CB GLU A 103 -5.799 -13.568 0.873 1.00 0.00 C ATOM 1684 CG GLU A 103 -5.969 -15.075 1.073 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.051 -15.333 2.123 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -7.623 -14.369 2.605 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -7.288 -16.489 2.427 1.00 0.00 O ATOM 0 H GLU A 103 -3.625 -11.552 0.100 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.859 -13.846 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.463 -13.103 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.757 -13.114 0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.242 -15.549 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.026 -15.519 1.391 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.561 4.599 2.048 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.705 4.440 -1.133 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.314 2.176 1.346 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.484 4.698 5.247 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.850 6.992 2.744 1.00 0.00 C HETATM 1700 NA HEC A 104 -2.100 3.556 0.460 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.669 3.615 -0.792 1.00 0.00 C HETATM 1702 C2A HEC A 104 -2.035 2.700 -1.708 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.146 1.993 -0.975 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.145 2.577 0.339 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.507 0.705 -1.360 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.078 2.784 -3.195 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.589 4.138 -3.715 1.00 0.00 C HETATM 1708 CGA HEC A 104 -2.471 4.586 -4.882 1.00 0.00 C HETATM 1709 O1A HEC A 104 -3.032 3.725 -5.541 1.00 0.00 O HETATM 1710 O2A HEC A 104 -2.569 5.783 -5.098 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.175 3.659 3.071 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.313 2.679 2.629 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.575 2.231 3.684 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.142 2.846 4.831 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.873 3.793 4.409 1.00 0.00 C HETATM 1716 CMB HEC A 104 1.920 1.600 3.475 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.313 2.343 6.241 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.635 1.607 6.505 1.00 0.00 C HETATM 1719 NC HEC A 104 -3.044 5.629 3.636 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.485 5.560 4.890 1.00 0.00 C HETATM 1721 C2C HEC A 104 -3.087 6.505 5.793 1.00 0.00 C HETATM 1722 C3C HEC A 104 -4.117 7.069 5.122 1.00 0.00 C HETATM 1723 C4C HEC A 104 -4.031 6.581 3.766 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.459 7.036 7.035 1.00 0.00 C HETATM 1725 CAC HEC A 104 -5.283 7.771 5.733 1.00 0.00 C HETATM 1726 CBC HEC A 104 -5.067 9.278 5.874 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.958 5.520 1.029 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.817 6.504 1.464 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.679 6.964 0.403 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.425 6.168 -0.660 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.315 5.330 -0.286 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.403 8.266 0.368 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.290 6.001 -1.863 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.745 6.749 -3.081 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.807 7.722 -3.599 1.00 0.00 C HETATM 1736 O1D HEC A 104 -7.155 8.633 -2.866 1.00 0.00 O HETATM 1737 O2D HEC A 104 -7.254 7.538 -4.719 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -7.079 8.329 1.221 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.684 9.084 0.414 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.976 8.339 -0.556 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.241 6.211 7.714 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.533 7.552 6.782 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -3.143 7.733 7.519 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.806 0.684 2.895 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.567 2.293 2.937 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.365 1.364 4.441 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.277 -0.050 -1.518 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.061 0.841 -2.280 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.163 0.379 -0.565 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -4.839 7.292 -2.812 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -5.472 6.041 -3.864 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -4.200 9.464 6.508 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.897 9.715 4.890 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.950 9.732 6.324 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.705 0.738 5.851 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.471 2.278 6.307 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.669 1.282 7.545 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.621 4.879 -2.916 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.551 4.062 -4.038 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.377 4.941 -2.100 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.294 6.361 -1.638 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.463 1.991 -3.619 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.099 2.613 -3.537 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.583 7.767 2.968 1.00 0.00 H new HETATM 0 HHC HEC A 104 -1.142 4.731 6.281 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.408 1.393 1.116 1.00 0.00 H new HETATM 0 HHA HEC A 104 -4.075 4.386 -2.157 1.00 0.00 H new