USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 877 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 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -2.21 K(o=-4.2,f=-24!) USER MOD Set 1.2: A 80 MET CE :methyl 163:sc= -1.97 (180deg=0) USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= 0.955 F(o=-10,f=-9.6) USER MOD Set 2.2: A 74 TYR OH : rot 46:sc= -10.6! USER MOD Set 3.1: A 40 SER OG : rot -15:sc= 1.14! USER MOD Set 3.2: A 52 ASN : amide:sc= -1.16 K(o=-0.023,f=-6.8!) USER MOD Set 4.1: A 19 THR OG1 : rot -72:sc= 0.873 USER MOD Set 4.2: A 31 ASN :FLIP amide:sc= -3.53! C(o=-6.7!,f=-2.7!) 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+ -168:sc= 0 (180deg=-0.0717) USER MOD Single : A 8 THR OG1 : rot -42:sc= 0.904 USER MOD Single : A -2 LYS NZ :NH3+ -131:sc= -0.435 (180deg=-2.9!) USER MOD Single : A -5 THR N :NH3+ 176:sc= -1.1 (180deg=-1.24) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -19:sc= 0.847 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.012) USER MOD Single : A 26 HIS : no HD1:sc= 0.0724 K(o=0.072,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc=-0.00777 X(o=-0.0078,f=-0.24) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 42 GLN : amide:sc= -3.78! C(o=-3.8!,f=-4.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 49 THR OG1 : rot -94:sc= -1.55! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0725 (180deg=-0.629) USER MOD Single : A 56 ASN : amide:sc= -2.86! C(o=-2.9!,f=-2.8!) USER MOD Single : A 62 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.12) USER MOD Single : A 64 MET CE :methyl -118:sc= -0.652 (180deg=-3.87) USER MOD Single : A 65 SER OG : rot 80:sc= -2.18! USER MOD Single : A 69 THR OG1 : rot 74:sc= -4.57! USER MOD Single : A 70 ASN : amide:sc= -0.682! C(o=-0.68!,f=-4.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0718 USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= -0.0605 (180deg=-0.548) 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= -0.639 K(o=-0.64,f=-2.3!) USER MOD Single : A 96 THR OG1 : rot 177:sc= 0.692 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -103:sc= -3.28! (180deg=-5.57!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -80:sc= 0.765 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -15.111 -7.569 -2.696 1.00 0.00 N ATOM 2 CA THR A -5 -15.052 -6.087 -2.547 1.00 0.00 C ATOM 3 C THR A -5 -15.449 -5.703 -1.121 1.00 0.00 C ATOM 4 O THR A -5 -15.076 -4.658 -0.623 1.00 0.00 O ATOM 5 CB THR A -5 -16.018 -5.437 -3.540 1.00 0.00 C ATOM 6 OG1 THR A -5 -16.493 -4.211 -3.000 1.00 0.00 O ATOM 7 CG2 THR A -5 -17.198 -6.375 -3.796 1.00 0.00 C ATOM 0 H1 THR A -5 -14.907 -7.827 -3.683 1.00 0.00 H new ATOM 0 H2 THR A -5 -14.406 -8.009 -2.070 1.00 0.00 H new ATOM 0 H3 THR A -5 -16.061 -7.906 -2.439 1.00 0.00 H new ATOM 0 HA THR A -5 -14.038 -5.740 -2.747 1.00 0.00 H new ATOM 0 HB THR A -5 -15.500 -5.245 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.111 -3.792 -3.635 1.00 0.00 H new ATOM 0 HG21 THR A -5 -17.885 -5.911 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A -5 -16.832 -7.315 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A -5 -17.719 -6.569 -2.858 1.00 0.00 H new ATOM 17 N GLU A -4 -16.204 -6.536 -0.458 1.00 0.00 N ATOM 18 CA GLU A -4 -16.623 -6.218 0.935 1.00 0.00 C ATOM 19 C GLU A -4 -15.384 -6.008 1.807 1.00 0.00 C ATOM 20 O GLU A -4 -14.372 -6.657 1.631 1.00 0.00 O ATOM 21 CB GLU A -4 -17.452 -7.375 1.497 1.00 0.00 C ATOM 22 CG GLU A -4 -18.722 -7.548 0.663 1.00 0.00 C ATOM 23 CD GLU A -4 -19.586 -8.656 1.270 1.00 0.00 C ATOM 24 OE1 GLU A -4 -19.105 -9.329 2.167 1.00 0.00 O ATOM 25 OE2 GLU A -4 -20.711 -8.811 0.827 1.00 0.00 O ATOM 0 H GLU A -4 -16.549 -7.424 -0.822 1.00 0.00 H new ATOM 0 HA GLU A -4 -17.224 -5.308 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.867 -8.295 1.483 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -17.712 -7.178 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -19.280 -6.612 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -18.463 -7.797 -0.366 1.00 0.00 H new ATOM 32 N PHE A -3 -15.453 -5.105 2.746 1.00 0.00 N ATOM 33 CA PHE A -3 -14.279 -4.854 3.628 1.00 0.00 C ATOM 34 C PHE A -3 -14.456 -5.607 4.947 1.00 0.00 C ATOM 35 O PHE A -3 -15.475 -5.505 5.599 1.00 0.00 O ATOM 36 CB PHE A -3 -14.166 -3.356 3.917 1.00 0.00 C ATOM 37 CG PHE A -3 -12.953 -3.103 4.779 1.00 0.00 C ATOM 38 CD1 PHE A -3 -13.069 -3.127 6.175 1.00 0.00 C ATOM 39 CD2 PHE A -3 -11.712 -2.840 4.184 1.00 0.00 C ATOM 40 CE1 PHE A -3 -11.944 -2.891 6.975 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.590 -2.605 4.985 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.705 -2.629 6.379 1.00 0.00 C ATOM 0 H PHE A -3 -16.273 -4.530 2.941 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.375 -5.201 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -14.085 -2.799 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -15.065 -3.003 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -14.026 -3.327 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.622 -2.819 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -12.032 -2.911 8.051 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.633 -2.405 4.527 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.837 -2.445 6.995 1.00 0.00 H new ATOM 52 N LYS A -2 -13.466 -6.356 5.350 1.00 0.00 N ATOM 53 CA LYS A -2 -13.577 -7.106 6.632 1.00 0.00 C ATOM 54 C LYS A -2 -13.138 -6.198 7.781 1.00 0.00 C ATOM 55 O LYS A -2 -12.086 -5.592 7.738 1.00 0.00 O ATOM 56 CB LYS A -2 -12.675 -8.340 6.584 1.00 0.00 C ATOM 57 CG LYS A -2 -12.985 -9.245 7.778 1.00 0.00 C ATOM 58 CD LYS A -2 -11.919 -10.340 7.881 1.00 0.00 C ATOM 59 CE LYS A -2 -12.011 -11.263 6.663 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.862 -12.679 7.102 1.00 0.00 N ATOM 0 H LYS A -2 -12.587 -6.481 4.848 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.609 -7.421 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.833 -8.883 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -11.628 -8.039 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.008 -8.658 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -13.972 -9.693 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -10.927 -9.892 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.060 -10.914 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -12.968 -11.125 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.233 -11.011 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -11.158 -13.156 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.547 -12.704 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -12.777 -13.167 7.017 1.00 0.00 H new ATOM 74 N ALA A -1 -13.934 -6.094 8.809 1.00 0.00 N ATOM 75 CA ALA A -1 -13.553 -5.222 9.952 1.00 0.00 C ATOM 76 C ALA A -1 -12.204 -5.677 10.506 1.00 0.00 C ATOM 77 O ALA A -1 -12.129 -6.534 11.365 1.00 0.00 O ATOM 78 CB ALA A -1 -14.611 -5.319 11.050 1.00 0.00 C ATOM 0 H ALA A -1 -14.829 -6.574 8.906 1.00 0.00 H new ATOM 0 HA ALA A -1 -13.482 -4.189 9.611 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.328 -4.679 11.885 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.575 -4.997 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.686 -6.351 11.393 1.00 0.00 H new ATOM 84 N GLY A 1 -11.138 -5.109 10.019 1.00 0.00 N ATOM 85 CA GLY A 1 -9.788 -5.504 10.510 1.00 0.00 C ATOM 86 C GLY A 1 -9.253 -4.423 11.449 1.00 0.00 C ATOM 87 O GLY A 1 -9.200 -3.260 11.103 1.00 0.00 O ATOM 0 H GLY A 1 -11.142 -4.386 9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.844 -6.459 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.108 -5.640 9.669 1.00 0.00 H new ATOM 91 N SER A 2 -8.856 -4.793 12.637 1.00 0.00 N ATOM 92 CA SER A 2 -8.328 -3.777 13.590 1.00 0.00 C ATOM 93 C SER A 2 -7.084 -3.121 12.991 1.00 0.00 C ATOM 94 O SER A 2 -6.242 -3.775 12.411 1.00 0.00 O ATOM 95 CB SER A 2 -7.960 -4.458 14.909 1.00 0.00 C ATOM 96 OG SER A 2 -9.115 -5.087 15.450 1.00 0.00 O ATOM 0 H SER A 2 -8.875 -5.751 12.987 1.00 0.00 H new ATOM 0 HA SER A 2 -9.089 -3.018 13.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.174 -5.195 14.744 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.567 -3.725 15.613 1.00 0.00 H new ATOM 0 HG SER A 2 -8.883 -5.526 16.295 1.00 0.00 H new ATOM 102 N ALA A 3 -6.964 -1.829 13.125 1.00 0.00 N ATOM 103 CA ALA A 3 -5.777 -1.125 12.565 1.00 0.00 C ATOM 104 C ALA A 3 -4.569 -1.325 13.483 1.00 0.00 C ATOM 105 O ALA A 3 -3.438 -1.137 13.084 1.00 0.00 O ATOM 106 CB ALA A 3 -6.082 0.370 12.447 1.00 0.00 C ATOM 0 H ALA A 3 -7.639 -1.229 13.600 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.550 -1.534 11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.214 0.887 12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.937 0.516 11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.312 0.773 13.433 1.00 0.00 H new ATOM 112 N LYS A 4 -4.798 -1.691 14.715 1.00 0.00 N ATOM 113 CA LYS A 4 -3.656 -1.884 15.654 1.00 0.00 C ATOM 114 C LYS A 4 -2.695 -2.939 15.102 1.00 0.00 C ATOM 115 O LYS A 4 -1.497 -2.732 15.056 1.00 0.00 O ATOM 116 CB LYS A 4 -4.191 -2.346 17.012 1.00 0.00 C ATOM 117 CG LYS A 4 -3.041 -2.401 18.020 1.00 0.00 C ATOM 118 CD LYS A 4 -3.561 -2.928 19.360 1.00 0.00 C ATOM 119 CE LYS A 4 -2.457 -2.823 20.413 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.675 -1.604 21.243 1.00 0.00 N ATOM 0 H LYS A 4 -5.722 -1.864 15.111 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.122 -0.940 15.767 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.964 -1.662 17.362 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.654 -3.328 16.918 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.247 -3.047 17.647 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.610 -1.408 18.150 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.433 -2.355 19.674 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.881 -3.965 19.256 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.457 -3.711 21.045 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.481 -2.777 19.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.924 -1.533 21.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.654 -0.761 20.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.599 -1.667 21.716 1.00 0.00 H new ATOM 134 N LYS A 5 -3.200 -4.067 14.684 1.00 0.00 N ATOM 135 CA LYS A 5 -2.299 -5.123 14.139 1.00 0.00 C ATOM 136 C LYS A 5 -1.658 -4.622 12.842 1.00 0.00 C ATOM 137 O LYS A 5 -0.457 -4.678 12.666 1.00 0.00 O ATOM 138 CB LYS A 5 -3.114 -6.388 13.853 1.00 0.00 C ATOM 139 CG LYS A 5 -2.186 -7.531 13.420 1.00 0.00 C ATOM 140 CD LYS A 5 -1.526 -8.164 14.649 1.00 0.00 C ATOM 141 CE LYS A 5 -0.792 -9.439 14.231 1.00 0.00 C ATOM 142 NZ LYS A 5 -1.776 -10.545 14.058 1.00 0.00 N ATOM 0 H LYS A 5 -4.192 -4.303 14.696 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.519 -5.351 14.866 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.671 -6.680 14.744 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.846 -6.188 13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.754 -8.284 12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -1.422 -7.153 12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.827 -7.461 15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.280 -8.395 15.402 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.250 -9.271 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.053 -9.710 14.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.270 -11.450 13.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.410 -10.577 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.335 -10.381 13.196 1.00 0.00 H new ATOM 156 N GLY A 6 -2.456 -4.134 11.933 1.00 0.00 N ATOM 157 CA GLY A 6 -1.907 -3.627 10.645 1.00 0.00 C ATOM 158 C GLY A 6 -1.011 -2.413 10.897 1.00 0.00 C ATOM 159 O GLY A 6 -0.057 -2.176 10.186 1.00 0.00 O ATOM 0 H GLY A 6 -3.469 -4.064 12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.337 -4.413 10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.723 -3.354 9.975 1.00 0.00 H new ATOM 163 N ALA A 7 -1.319 -1.633 11.898 1.00 0.00 N ATOM 164 CA ALA A 7 -0.488 -0.428 12.179 1.00 0.00 C ATOM 165 C ALA A 7 0.966 -0.846 12.388 1.00 0.00 C ATOM 166 O ALA A 7 1.878 -0.226 11.874 1.00 0.00 O ATOM 167 CB ALA A 7 -1.005 0.262 13.443 1.00 0.00 C ATOM 0 H ALA A 7 -2.106 -1.777 12.530 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.550 0.260 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.398 1.144 13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.043 0.562 13.295 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.943 -0.427 14.285 1.00 0.00 H new ATOM 173 N THR A 8 1.195 -1.892 13.127 1.00 0.00 N ATOM 174 CA THR A 8 2.592 -2.346 13.354 1.00 0.00 C ATOM 175 C THR A 8 3.132 -2.963 12.064 1.00 0.00 C ATOM 176 O THR A 8 4.283 -2.790 11.717 1.00 0.00 O ATOM 177 CB THR A 8 2.610 -3.386 14.474 1.00 0.00 C ATOM 178 OG1 THR A 8 1.912 -4.550 14.050 1.00 0.00 O ATOM 179 CG2 THR A 8 1.935 -2.809 15.719 1.00 0.00 C ATOM 0 H THR A 8 0.475 -2.452 13.584 1.00 0.00 H new ATOM 0 HA THR A 8 3.217 -1.500 13.641 1.00 0.00 H new ATOM 0 HB THR A 8 3.641 -3.647 14.711 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.094 -4.287 13.578 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.948 -3.551 16.517 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.472 -1.917 16.044 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.903 -2.546 15.485 1.00 0.00 H new ATOM 187 N LEU A 9 2.307 -3.672 11.340 1.00 0.00 N ATOM 188 CA LEU A 9 2.781 -4.278 10.065 1.00 0.00 C ATOM 189 C LEU A 9 3.272 -3.150 9.164 1.00 0.00 C ATOM 190 O LEU A 9 4.289 -3.251 8.509 1.00 0.00 O ATOM 191 CB LEU A 9 1.625 -5.014 9.382 1.00 0.00 C ATOM 192 CG LEU A 9 2.147 -5.768 8.158 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.678 -7.135 8.588 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.010 -5.956 7.151 1.00 0.00 C ATOM 0 H LEU A 9 1.332 -3.856 11.576 1.00 0.00 H new ATOM 0 HA LEU A 9 3.584 -4.990 10.258 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.161 -5.711 10.080 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.855 -4.303 9.082 1.00 0.00 H new ATOM 0 HG LEU A 9 2.951 -5.196 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.050 -7.672 7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.489 -7.002 9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.875 -7.708 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.382 -6.493 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.205 -6.528 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.632 -4.981 6.843 1.00 0.00 H new ATOM 206 N PHE A 10 2.553 -2.062 9.152 1.00 0.00 N ATOM 207 CA PHE A 10 2.961 -0.897 8.326 1.00 0.00 C ATOM 208 C PHE A 10 4.309 -0.388 8.836 1.00 0.00 C ATOM 209 O PHE A 10 5.225 -0.135 8.077 1.00 0.00 O ATOM 210 CB PHE A 10 1.903 0.201 8.477 1.00 0.00 C ATOM 211 CG PHE A 10 2.204 1.347 7.545 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.759 1.308 6.218 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.923 2.451 8.010 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.038 2.376 5.356 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.202 3.518 7.149 1.00 0.00 C ATOM 216 CZ PHE A 10 2.759 3.480 5.823 1.00 0.00 C ATOM 0 H PHE A 10 1.693 -1.931 9.685 1.00 0.00 H new ATOM 0 HA PHE A 10 3.049 -1.179 7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.915 -0.204 8.259 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.882 0.557 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.201 0.455 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.264 2.481 9.034 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.697 2.347 4.332 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.759 4.371 7.508 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.974 4.304 5.159 1.00 0.00 H new ATOM 226 N LYS A 11 4.423 -0.240 10.126 1.00 0.00 N ATOM 227 CA LYS A 11 5.693 0.249 10.728 1.00 0.00 C ATOM 228 C LYS A 11 6.820 -0.751 10.455 1.00 0.00 C ATOM 229 O LYS A 11 7.953 -0.379 10.218 1.00 0.00 O ATOM 230 CB LYS A 11 5.505 0.383 12.242 1.00 0.00 C ATOM 231 CG LYS A 11 6.691 1.139 12.842 1.00 0.00 C ATOM 232 CD LYS A 11 6.528 1.223 14.361 1.00 0.00 C ATOM 233 CE LYS A 11 7.629 2.111 14.944 1.00 0.00 C ATOM 234 NZ LYS A 11 7.774 1.830 16.402 1.00 0.00 N ATOM 0 H LYS A 11 3.681 -0.440 10.796 1.00 0.00 H new ATOM 0 HA LYS A 11 5.952 1.213 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.577 0.912 12.458 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.422 -0.604 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.623 0.631 12.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.750 2.141 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.548 1.630 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.580 0.226 14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.572 1.923 14.431 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.385 3.162 14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.522 2.433 16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.875 2.030 16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.026 0.830 16.540 1.00 0.00 H new ATOM 248 N THR A 12 6.521 -2.018 10.520 1.00 0.00 N ATOM 249 CA THR A 12 7.571 -3.053 10.302 1.00 0.00 C ATOM 250 C THR A 12 8.027 -3.087 8.840 1.00 0.00 C ATOM 251 O THR A 12 9.174 -3.371 8.556 1.00 0.00 O ATOM 252 CB THR A 12 7.010 -4.426 10.684 1.00 0.00 C ATOM 253 OG1 THR A 12 5.953 -4.765 9.797 1.00 0.00 O ATOM 254 CG2 THR A 12 6.483 -4.383 12.118 1.00 0.00 C ATOM 0 H THR A 12 5.589 -2.384 10.716 1.00 0.00 H new ATOM 0 HA THR A 12 8.431 -2.804 10.924 1.00 0.00 H new ATOM 0 HB THR A 12 7.799 -5.175 10.613 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.620 -3.954 9.360 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.084 -5.361 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.295 -4.122 12.796 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.693 -3.635 12.193 1.00 0.00 H new ATOM 262 N ARG A 13 7.156 -2.825 7.903 1.00 0.00 N ATOM 263 CA ARG A 13 7.587 -2.877 6.476 1.00 0.00 C ATOM 264 C ARG A 13 6.784 -1.891 5.626 1.00 0.00 C ATOM 265 O ARG A 13 6.135 -2.274 4.673 1.00 0.00 O ATOM 266 CB ARG A 13 7.372 -4.294 5.933 1.00 0.00 C ATOM 267 CG ARG A 13 8.301 -5.271 6.656 1.00 0.00 C ATOM 268 CD ARG A 13 8.197 -6.651 6.004 1.00 0.00 C ATOM 269 NE ARG A 13 8.942 -7.647 6.824 1.00 0.00 N ATOM 270 CZ ARG A 13 9.155 -8.848 6.360 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.713 -9.178 5.177 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.810 -9.718 7.078 1.00 0.00 N ATOM 0 H ARG A 13 6.178 -2.581 8.060 1.00 0.00 H new ATOM 0 HA ARG A 13 8.642 -2.606 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.333 -4.594 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.568 -4.317 4.861 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.329 -4.912 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.031 -5.334 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.151 -6.946 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.604 -6.619 4.993 1.00 0.00 H new ATOM 0 HE ARG A 13 9.286 -7.390 7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.201 -8.497 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.879 -10.117 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.156 -9.460 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.976 -10.657 6.715 1.00 0.00 H new ATOM 286 N CYS A 14 6.826 -0.627 5.941 1.00 0.00 N ATOM 287 CA CYS A 14 6.066 0.356 5.116 1.00 0.00 C ATOM 288 C CYS A 14 6.407 1.783 5.544 1.00 0.00 C ATOM 289 O CYS A 14 6.789 2.605 4.736 1.00 0.00 O ATOM 290 CB CYS A 14 4.567 0.110 5.283 1.00 0.00 C ATOM 291 SG CYS A 14 3.703 0.631 3.777 1.00 0.00 S ATOM 0 H CYS A 14 7.347 -0.234 6.725 1.00 0.00 H new ATOM 0 HA CYS A 14 6.342 0.230 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.379 -0.946 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.189 0.664 6.143 1.00 0.00 H new ATOM 296 N LEU A 15 6.269 2.092 6.799 1.00 0.00 N ATOM 297 CA LEU A 15 6.583 3.474 7.266 1.00 0.00 C ATOM 298 C LEU A 15 8.020 3.834 6.883 1.00 0.00 C ATOM 299 O LEU A 15 8.311 4.956 6.519 1.00 0.00 O ATOM 300 CB LEU A 15 6.423 3.546 8.790 1.00 0.00 C ATOM 301 CG LEU A 15 6.652 4.982 9.281 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.397 5.825 9.045 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.963 4.953 10.777 1.00 0.00 C ATOM 0 H LEU A 15 5.952 1.450 7.525 1.00 0.00 H new ATOM 0 HA LEU A 15 5.899 4.180 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.425 3.212 9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.133 2.873 9.270 1.00 0.00 H new ATOM 0 HG LEU A 15 7.485 5.421 8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.570 6.842 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.166 5.844 7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.559 5.390 9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.127 5.970 11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.124 4.510 11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.860 4.358 10.951 1.00 0.00 H new ATOM 315 N GLN A 16 8.921 2.898 6.968 1.00 0.00 N ATOM 316 CA GLN A 16 10.338 3.198 6.616 1.00 0.00 C ATOM 317 C GLN A 16 10.421 3.687 5.168 1.00 0.00 C ATOM 318 O GLN A 16 11.227 4.533 4.836 1.00 0.00 O ATOM 319 CB GLN A 16 11.180 1.929 6.775 1.00 0.00 C ATOM 320 CG GLN A 16 11.190 1.505 8.245 1.00 0.00 C ATOM 321 CD GLN A 16 12.124 0.306 8.426 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.724 -0.200 7.383 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 12.309 -0.175 9.525 1.00 0.00 N flip ATOM 0 H GLN A 16 8.740 1.939 7.265 1.00 0.00 H new ATOM 0 HA GLN A 16 10.717 3.976 7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.772 1.129 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.198 2.110 6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.520 2.334 8.871 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.181 1.245 8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.840 0.220 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.933 -0.974 9.633 1.00 0.00 H new ATOM 332 N CYS A 17 9.603 3.157 4.300 1.00 0.00 N ATOM 333 CA CYS A 17 9.650 3.590 2.873 1.00 0.00 C ATOM 334 C CYS A 17 8.598 4.670 2.605 1.00 0.00 C ATOM 335 O CYS A 17 8.858 5.644 1.928 1.00 0.00 O ATOM 336 CB CYS A 17 9.362 2.395 1.971 1.00 0.00 C ATOM 337 SG CYS A 17 10.737 1.220 2.047 1.00 0.00 S ATOM 0 H CYS A 17 8.906 2.445 4.516 1.00 0.00 H new ATOM 0 HA CYS A 17 10.641 3.993 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.438 1.908 2.282 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.215 2.730 0.944 1.00 0.00 H new ATOM 342 N HIS A 18 7.408 4.493 3.111 1.00 0.00 N ATOM 343 CA HIS A 18 6.336 5.499 2.864 1.00 0.00 C ATOM 344 C HIS A 18 6.087 6.326 4.126 1.00 0.00 C ATOM 345 O HIS A 18 5.788 5.799 5.178 1.00 0.00 O ATOM 346 CB HIS A 18 5.044 4.771 2.476 1.00 0.00 C ATOM 347 CG HIS A 18 5.176 4.189 1.097 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.092 4.962 -0.054 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.350 2.901 0.670 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.211 4.133 -1.112 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.369 2.872 -0.716 1.00 0.00 N ATOM 0 H HIS A 18 7.132 3.696 3.684 1.00 0.00 H new ATOM 0 HA HIS A 18 6.649 6.164 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.833 3.979 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.203 5.464 2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.964 5.973 -0.092 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.456 2.040 1.313 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.182 4.451 -2.144 1.00 0.00 H new ATOM 359 N THR A 19 6.199 7.623 4.025 1.00 0.00 N ATOM 360 CA THR A 19 5.957 8.489 5.212 1.00 0.00 C ATOM 361 C THR A 19 4.463 8.810 5.308 1.00 0.00 C ATOM 362 O THR A 19 3.953 9.124 6.365 1.00 0.00 O ATOM 363 CB THR A 19 6.753 9.789 5.069 1.00 0.00 C ATOM 364 OG1 THR A 19 6.244 10.533 3.971 1.00 0.00 O ATOM 365 CG2 THR A 19 8.228 9.463 4.828 1.00 0.00 C ATOM 0 H THR A 19 6.448 8.120 3.170 1.00 0.00 H new ATOM 0 HA THR A 19 6.277 7.969 6.115 1.00 0.00 H new ATOM 0 HB THR A 19 6.659 10.377 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.498 10.094 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.793 10.389 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.617 8.891 5.671 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.326 8.876 3.915 1.00 0.00 H new ATOM 373 N VAL A 20 3.760 8.732 4.208 1.00 0.00 N ATOM 374 CA VAL A 20 2.299 9.031 4.225 1.00 0.00 C ATOM 375 C VAL A 20 2.024 10.236 5.127 1.00 0.00 C ATOM 376 O VAL A 20 1.406 10.115 6.166 1.00 0.00 O ATOM 377 CB VAL A 20 1.538 7.817 4.754 1.00 0.00 C ATOM 378 CG1 VAL A 20 0.037 8.019 4.538 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.996 6.567 4.003 1.00 0.00 C ATOM 0 H VAL A 20 4.137 8.473 3.296 1.00 0.00 H new ATOM 0 HA VAL A 20 1.968 9.259 3.212 1.00 0.00 H new ATOM 0 HB VAL A 20 1.737 7.698 5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.505 7.152 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.290 8.912 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.165 8.137 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.455 5.698 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.795 6.688 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.065 6.422 4.156 1.00 0.00 H new ATOM 389 N GLU A 21 2.478 11.397 4.735 1.00 0.00 N ATOM 390 CA GLU A 21 2.241 12.612 5.566 1.00 0.00 C ATOM 391 C GLU A 21 1.259 13.536 4.843 1.00 0.00 C ATOM 392 O GLU A 21 1.275 13.649 3.634 1.00 0.00 O ATOM 393 CB GLU A 21 3.566 13.346 5.779 1.00 0.00 C ATOM 394 CG GLU A 21 4.546 12.432 6.519 1.00 0.00 C ATOM 395 CD GLU A 21 3.990 12.100 7.905 1.00 0.00 C ATOM 396 OE1 GLU A 21 3.113 12.817 8.358 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.452 11.134 8.491 1.00 0.00 O ATOM 0 H GLU A 21 3.003 11.556 3.875 1.00 0.00 H new ATOM 0 HA GLU A 21 1.826 12.321 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.986 13.645 4.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.400 14.258 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.705 11.516 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.516 12.921 6.612 1.00 0.00 H new ATOM 404 N LYS A 22 0.404 14.197 5.573 1.00 0.00 N ATOM 405 CA LYS A 22 -0.578 15.111 4.925 1.00 0.00 C ATOM 406 C LYS A 22 0.167 16.261 4.242 1.00 0.00 C ATOM 407 O LYS A 22 -0.235 16.741 3.201 1.00 0.00 O ATOM 408 CB LYS A 22 -1.530 15.670 5.985 1.00 0.00 C ATOM 409 CG LYS A 22 -0.767 16.604 6.927 1.00 0.00 C ATOM 410 CD LYS A 22 -1.687 17.039 8.070 1.00 0.00 C ATOM 411 CE LYS A 22 -1.049 18.205 8.824 1.00 0.00 C ATOM 412 NZ LYS A 22 0.118 17.712 9.607 1.00 0.00 N ATOM 0 H LYS A 22 0.343 14.144 6.590 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.151 14.561 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.346 16.210 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.978 14.854 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.112 16.097 7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.410 17.477 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.659 17.336 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.860 16.204 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.730 18.975 8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.779 18.664 9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.511 18.491 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.187 16.945 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.847 17.355 8.956 1.00 0.00 H new ATOM 426 N GLY A 23 1.249 16.707 4.821 1.00 0.00 N ATOM 427 CA GLY A 23 2.016 17.828 4.205 1.00 0.00 C ATOM 428 C GLY A 23 3.515 17.598 4.410 1.00 0.00 C ATOM 429 O GLY A 23 4.230 18.477 4.849 1.00 0.00 O ATOM 0 H GLY A 23 1.635 16.344 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.790 17.895 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.718 18.776 4.654 1.00 0.00 H new ATOM 433 N GLY A 24 3.993 16.424 4.096 1.00 0.00 N ATOM 434 CA GLY A 24 5.446 16.131 4.271 1.00 0.00 C ATOM 435 C GLY A 24 6.085 15.865 2.909 1.00 0.00 C ATOM 436 O GLY A 24 5.405 15.675 1.919 1.00 0.00 O ATOM 0 H GLY A 24 3.439 15.653 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.940 16.972 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.577 15.265 4.920 1.00 0.00 H new ATOM 440 N PRO A 25 7.389 15.852 2.864 1.00 0.00 N ATOM 441 CA PRO A 25 8.157 15.606 1.610 1.00 0.00 C ATOM 442 C PRO A 25 8.115 14.136 1.191 1.00 0.00 C ATOM 443 O PRO A 25 7.386 13.343 1.753 1.00 0.00 O ATOM 444 CB PRO A 25 9.583 16.009 1.976 1.00 0.00 C ATOM 445 CG PRO A 25 9.676 15.795 3.450 1.00 0.00 C ATOM 446 CD PRO A 25 8.280 16.070 4.014 1.00 0.00 C ATOM 0 HA PRO A 25 7.748 16.162 0.767 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.314 15.403 1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.779 17.049 1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.993 14.777 3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.413 16.464 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.042 15.398 4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.197 17.087 4.398 1.00 0.00 H new ATOM 454 N HIS A 26 8.895 13.766 0.213 1.00 0.00 N ATOM 455 CA HIS A 26 8.903 12.347 -0.237 1.00 0.00 C ATOM 456 C HIS A 26 10.181 11.663 0.253 1.00 0.00 C ATOM 457 O HIS A 26 11.266 12.202 0.144 1.00 0.00 O ATOM 458 CB HIS A 26 8.857 12.293 -1.766 1.00 0.00 C ATOM 459 CG HIS A 26 7.518 12.777 -2.252 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.457 11.909 -2.479 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.052 14.030 -2.567 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.417 12.646 -2.913 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.729 13.941 -2.983 1.00 0.00 N ATOM 0 H HIS A 26 9.527 14.386 -0.294 1.00 0.00 H new ATOM 0 HA HIS A 26 8.033 11.835 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.651 12.911 -2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.032 11.273 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.625 14.943 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.451 12.239 -3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.123 14.706 -3.280 1.00 0.00 H new ATOM 472 N LYS A 27 10.060 10.478 0.785 1.00 0.00 N ATOM 473 CA LYS A 27 11.262 9.750 1.279 1.00 0.00 C ATOM 474 C LYS A 27 11.243 8.321 0.734 1.00 0.00 C ATOM 475 O LYS A 27 10.253 7.624 0.836 1.00 0.00 O ATOM 476 CB LYS A 27 11.247 9.713 2.809 1.00 0.00 C ATOM 477 CG LYS A 27 12.539 9.069 3.317 1.00 0.00 C ATOM 478 CD LYS A 27 12.494 8.969 4.843 1.00 0.00 C ATOM 479 CE LYS A 27 13.843 8.463 5.361 1.00 0.00 C ATOM 480 NZ LYS A 27 13.935 8.711 6.829 1.00 0.00 N ATOM 0 H LYS A 27 9.177 9.981 0.899 1.00 0.00 H new ATOM 0 HA LYS A 27 12.163 10.261 0.940 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.151 10.723 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.384 9.148 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.660 8.078 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.400 9.661 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.269 9.944 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.697 8.292 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.948 7.398 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.657 8.970 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.851 8.368 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.852 9.731 7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.166 8.207 7.315 1.00 0.00 H new ATOM 494 N VAL A 28 12.325 7.880 0.154 1.00 0.00 N ATOM 495 CA VAL A 28 12.358 6.497 -0.397 1.00 0.00 C ATOM 496 C VAL A 28 11.178 6.307 -1.352 1.00 0.00 C ATOM 497 O VAL A 28 11.302 6.470 -2.549 1.00 0.00 O ATOM 498 CB VAL A 28 12.262 5.486 0.746 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.162 4.072 0.172 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.511 5.591 1.625 1.00 0.00 C ATOM 0 H VAL A 28 13.185 8.416 0.038 1.00 0.00 H new ATOM 0 HA VAL A 28 13.293 6.341 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 28 11.376 5.698 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.094 3.352 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.273 3.996 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.048 3.859 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.444 4.871 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.397 5.379 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.583 6.598 2.036 1.00 0.00 H new ATOM 510 N GLY A 29 10.031 5.966 -0.831 1.00 0.00 N ATOM 511 CA GLY A 29 8.844 5.767 -1.709 1.00 0.00 C ATOM 512 C GLY A 29 7.934 6.995 -1.624 1.00 0.00 C ATOM 513 O GLY A 29 8.023 7.782 -0.702 1.00 0.00 O ATOM 0 H GLY A 29 9.865 5.817 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.163 5.608 -2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.298 4.875 -1.403 1.00 0.00 H new ATOM 517 N PRO A 30 7.065 7.151 -2.585 1.00 0.00 N ATOM 518 CA PRO A 30 6.109 8.298 -2.644 1.00 0.00 C ATOM 519 C PRO A 30 5.178 8.344 -1.428 1.00 0.00 C ATOM 520 O PRO A 30 4.908 7.340 -0.805 1.00 0.00 O ATOM 521 CB PRO A 30 5.303 8.050 -3.923 1.00 0.00 C ATOM 522 CG PRO A 30 5.514 6.612 -4.262 1.00 0.00 C ATOM 523 CD PRO A 30 6.894 6.244 -3.727 1.00 0.00 C ATOM 0 HA PRO A 30 6.634 9.253 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.246 8.264 -3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.643 8.697 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.743 5.989 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.460 6.454 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.942 5.199 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.670 6.392 -4.478 1.00 0.00 H new ATOM 531 N ASN A 31 4.683 9.503 -1.088 1.00 0.00 N ATOM 532 CA ASN A 31 3.770 9.608 0.086 1.00 0.00 C ATOM 533 C ASN A 31 2.343 9.267 -0.352 1.00 0.00 C ATOM 534 O ASN A 31 1.866 9.745 -1.363 1.00 0.00 O ATOM 535 CB ASN A 31 3.804 11.038 0.628 1.00 0.00 C ATOM 536 CG ASN A 31 5.254 11.471 0.853 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.080 10.666 1.463 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.640 12.558 0.469 1.00 0.00 N flip ATOM 0 H ASN A 31 4.871 10.381 -1.572 1.00 0.00 H new ATOM 0 HA ASN A 31 4.091 8.915 0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.317 11.715 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.248 11.096 1.564 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.996 13.189 -0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.608 12.839 0.624 1.00 0.00 H new ATOM 545 N LEU A 32 1.656 8.448 0.398 1.00 0.00 N ATOM 546 CA LEU A 32 0.260 8.084 0.016 1.00 0.00 C ATOM 547 C LEU A 32 -0.736 8.914 0.828 1.00 0.00 C ATOM 548 O LEU A 32 -0.615 9.054 2.030 1.00 0.00 O ATOM 549 CB LEU A 32 0.020 6.598 0.291 1.00 0.00 C ATOM 550 CG LEU A 32 0.831 5.755 -0.695 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.324 5.945 -0.429 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.468 4.278 -0.517 1.00 0.00 C ATOM 0 H LEU A 32 1.999 8.016 1.256 1.00 0.00 H new ATOM 0 HA LEU A 32 0.120 8.287 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.308 6.356 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.041 6.367 0.195 1.00 0.00 H new ATOM 0 HG LEU A 32 0.603 6.070 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.899 5.343 -1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.585 6.996 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.555 5.632 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.044 3.675 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.697 3.967 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.596 4.139 -0.708 1.00 0.00 H new ATOM 564 N HIS A 33 -1.728 9.459 0.178 1.00 0.00 N ATOM 565 CA HIS A 33 -2.748 10.273 0.898 1.00 0.00 C ATOM 566 C HIS A 33 -3.994 10.387 0.023 1.00 0.00 C ATOM 567 O HIS A 33 -4.025 11.137 -0.933 1.00 0.00 O ATOM 568 CB HIS A 33 -2.186 11.667 1.183 1.00 0.00 C ATOM 569 CG HIS A 33 -3.222 12.489 1.900 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.079 13.351 1.228 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.552 12.591 3.228 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.874 13.929 2.148 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.593 13.500 3.378 1.00 0.00 N ATOM 0 H HIS A 33 -1.876 9.375 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.004 9.795 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.284 11.590 1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.902 12.154 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.077 12.049 4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.644 14.651 1.918 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -5.047 13.780 4.248 1.00 0.00 H new ATOM 582 N GLY A 34 -5.017 9.639 0.329 1.00 0.00 N ATOM 583 CA GLY A 34 -6.253 9.697 -0.500 1.00 0.00 C ATOM 584 C GLY A 34 -6.038 8.839 -1.745 1.00 0.00 C ATOM 585 O GLY A 34 -6.825 8.854 -2.672 1.00 0.00 O ATOM 0 H GLY A 34 -5.051 8.991 1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.109 9.333 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.473 10.727 -0.782 1.00 0.00 H new ATOM 589 N ILE A 35 -4.971 8.088 -1.766 1.00 0.00 N ATOM 590 CA ILE A 35 -4.677 7.220 -2.940 1.00 0.00 C ATOM 591 C ILE A 35 -5.848 6.266 -3.176 1.00 0.00 C ATOM 592 O ILE A 35 -6.025 5.741 -4.259 1.00 0.00 O ATOM 593 CB ILE A 35 -3.404 6.415 -2.666 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.891 5.797 -3.971 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.714 5.301 -1.666 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.442 5.343 -3.782 1.00 0.00 C ATOM 0 H ILE A 35 -4.285 8.039 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.533 7.838 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.641 7.076 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.515 4.950 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.953 6.525 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.809 4.726 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.076 5.738 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.479 4.643 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.075 4.903 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.824 6.201 -3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.394 4.601 -2.985 1.00 0.00 H new ATOM 608 N PHE A 36 -6.649 6.034 -2.174 1.00 0.00 N ATOM 609 CA PHE A 36 -7.803 5.114 -2.346 1.00 0.00 C ATOM 610 C PHE A 36 -8.785 5.710 -3.357 1.00 0.00 C ATOM 611 O PHE A 36 -9.134 6.871 -3.289 1.00 0.00 O ATOM 612 CB PHE A 36 -8.504 4.939 -0.998 1.00 0.00 C ATOM 613 CG PHE A 36 -7.615 4.161 -0.058 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.671 4.828 0.735 1.00 0.00 C ATOM 615 CD2 PHE A 36 -7.743 2.770 0.028 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.856 4.102 1.611 1.00 0.00 C ATOM 617 CE2 PHE A 36 -6.926 2.044 0.904 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.984 2.709 1.695 1.00 0.00 C ATOM 0 H PHE A 36 -6.553 6.442 -1.244 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.454 4.148 -2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.737 5.914 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.451 4.416 -1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.573 5.902 0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.472 2.256 -0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.128 4.615 2.222 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.024 0.970 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.355 2.149 2.371 1.00 0.00 H new ATOM 628 N GLY A 37 -9.234 4.920 -4.297 1.00 0.00 N ATOM 629 CA GLY A 37 -10.195 5.439 -5.311 1.00 0.00 C ATOM 630 C GLY A 37 -9.470 6.383 -6.275 1.00 0.00 C ATOM 631 O GLY A 37 -10.070 7.265 -6.855 1.00 0.00 O ATOM 0 H GLY A 37 -8.976 3.939 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.638 4.610 -5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.011 5.966 -4.816 1.00 0.00 H new ATOM 635 N ARG A 38 -8.186 6.209 -6.445 1.00 0.00 N ATOM 636 CA ARG A 38 -7.427 7.103 -7.365 1.00 0.00 C ATOM 637 C ARG A 38 -6.505 6.272 -8.261 1.00 0.00 C ATOM 638 O ARG A 38 -6.253 5.111 -8.003 1.00 0.00 O ATOM 639 CB ARG A 38 -6.594 8.091 -6.547 1.00 0.00 C ATOM 640 CG ARG A 38 -7.524 8.964 -5.704 1.00 0.00 C ATOM 641 CD ARG A 38 -6.713 10.070 -5.028 1.00 0.00 C ATOM 642 NE ARG A 38 -7.546 10.729 -3.982 1.00 0.00 N ATOM 643 CZ ARG A 38 -8.427 11.629 -4.323 1.00 0.00 C ATOM 644 NH1 ARG A 38 -8.582 11.950 -5.578 1.00 0.00 N ATOM 645 NH2 ARG A 38 -9.155 12.207 -3.407 1.00 0.00 N ATOM 0 H ARG A 38 -7.631 5.486 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.131 7.651 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.900 7.552 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.994 8.714 -7.210 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.300 9.400 -6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.028 8.357 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.811 9.652 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.391 10.803 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.427 10.477 -3.001 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.014 11.497 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.271 12.654 -5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.035 11.955 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.844 12.911 -3.672 1.00 0.00 H new ATOM 659 N HIS A 39 -6.001 6.860 -9.314 1.00 0.00 N ATOM 660 CA HIS A 39 -5.098 6.111 -10.231 1.00 0.00 C ATOM 661 C HIS A 39 -3.641 6.472 -9.922 1.00 0.00 C ATOM 662 O HIS A 39 -3.335 7.578 -9.524 1.00 0.00 O ATOM 663 CB HIS A 39 -5.421 6.482 -11.679 1.00 0.00 C ATOM 664 CG HIS A 39 -6.803 6.001 -12.023 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.934 6.779 -11.806 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.256 4.825 -12.569 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.000 6.067 -12.215 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.640 4.873 -12.688 1.00 0.00 N ATOM 0 H HIS A 39 -6.178 7.829 -9.578 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.243 5.040 -10.090 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.357 7.562 -11.812 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.690 6.034 -12.352 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.633 3.992 -12.861 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.020 6.419 -12.166 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.252 4.147 -13.059 1.00 0.00 H new ATOM 677 N SER A 40 -2.744 5.539 -10.097 1.00 0.00 N ATOM 678 CA SER A 40 -1.307 5.817 -9.805 1.00 0.00 C ATOM 679 C SER A 40 -0.795 6.944 -10.706 1.00 0.00 C ATOM 680 O SER A 40 -1.280 7.150 -11.800 1.00 0.00 O ATOM 681 CB SER A 40 -0.484 4.557 -10.071 1.00 0.00 C ATOM 682 OG SER A 40 -1.109 3.446 -9.442 1.00 0.00 O ATOM 0 H SER A 40 -2.944 4.596 -10.430 1.00 0.00 H new ATOM 0 HA SER A 40 -1.209 6.116 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.401 4.383 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.529 4.683 -9.689 1.00 0.00 H new ATOM 0 HG SER A 40 -1.772 3.767 -8.795 1.00 0.00 H new ATOM 688 N GLY A 41 0.196 7.665 -10.252 1.00 0.00 N ATOM 689 CA GLY A 41 0.761 8.768 -11.078 1.00 0.00 C ATOM 690 C GLY A 41 0.084 10.094 -10.722 1.00 0.00 C ATOM 691 O GLY A 41 0.486 11.146 -11.179 1.00 0.00 O ATOM 0 H GLY A 41 0.638 7.536 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.836 8.843 -10.911 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.617 8.550 -12.136 1.00 0.00 H new ATOM 695 N GLN A 42 -0.941 10.059 -9.916 1.00 0.00 N ATOM 696 CA GLN A 42 -1.637 11.326 -9.546 1.00 0.00 C ATOM 697 C GLN A 42 -0.693 12.240 -8.762 1.00 0.00 C ATOM 698 O GLN A 42 -0.699 13.443 -8.933 1.00 0.00 O ATOM 699 CB GLN A 42 -2.858 11.010 -8.682 1.00 0.00 C ATOM 700 CG GLN A 42 -3.666 12.292 -8.469 1.00 0.00 C ATOM 701 CD GLN A 42 -4.750 12.046 -7.420 1.00 0.00 C ATOM 702 OE1 GLN A 42 -4.453 11.851 -6.257 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.005 12.046 -7.782 1.00 0.00 N ATOM 0 H GLN A 42 -1.326 9.212 -9.498 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.951 11.831 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.475 10.253 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.544 10.600 -7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.009 13.099 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.120 12.608 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.254 12.210 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.736 11.882 -7.089 1.00 0.00 H new ATOM 712 N ALA A 43 0.111 11.688 -7.893 1.00 0.00 N ATOM 713 CA ALA A 43 1.036 12.543 -7.095 1.00 0.00 C ATOM 714 C ALA A 43 1.966 13.307 -8.036 1.00 0.00 C ATOM 715 O ALA A 43 2.181 14.493 -7.878 1.00 0.00 O ATOM 716 CB ALA A 43 1.867 11.661 -6.160 1.00 0.00 C ATOM 0 H ALA A 43 0.167 10.688 -7.702 1.00 0.00 H new ATOM 0 HA ALA A 43 0.456 13.252 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.543 12.286 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.203 11.118 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.447 10.951 -6.750 1.00 0.00 H new ATOM 722 N GLU A 44 2.515 12.637 -9.010 1.00 0.00 N ATOM 723 CA GLU A 44 3.435 13.307 -9.981 1.00 0.00 C ATOM 724 C GLU A 44 4.638 13.926 -9.251 1.00 0.00 C ATOM 725 O GLU A 44 5.677 14.148 -9.842 1.00 0.00 O ATOM 726 CB GLU A 44 2.675 14.402 -10.736 1.00 0.00 C ATOM 727 CG GLU A 44 1.481 13.786 -11.466 1.00 0.00 C ATOM 728 CD GLU A 44 0.774 14.863 -12.291 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.119 16.023 -12.135 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.102 14.510 -13.063 1.00 0.00 O ATOM 0 H GLU A 44 2.366 11.642 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 44 3.802 12.560 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.333 15.168 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.337 14.893 -11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.816 12.977 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.787 13.350 -10.747 1.00 0.00 H new ATOM 737 N GLY A 45 4.516 14.210 -7.981 1.00 0.00 N ATOM 738 CA GLY A 45 5.659 14.814 -7.238 1.00 0.00 C ATOM 739 C GLY A 45 6.856 13.863 -7.265 1.00 0.00 C ATOM 740 O GLY A 45 7.994 14.287 -7.315 1.00 0.00 O ATOM 0 H GLY A 45 3.675 14.050 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.932 15.769 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.368 15.017 -6.207 1.00 0.00 H new ATOM 744 N TYR A 46 6.608 12.580 -7.226 1.00 0.00 N ATOM 745 CA TYR A 46 7.732 11.599 -7.243 1.00 0.00 C ATOM 746 C TYR A 46 7.716 10.832 -8.568 1.00 0.00 C ATOM 747 O TYR A 46 6.679 10.409 -9.039 1.00 0.00 O ATOM 748 CB TYR A 46 7.562 10.620 -6.080 1.00 0.00 C ATOM 749 CG TYR A 46 8.788 9.743 -5.973 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.938 10.225 -5.338 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.773 8.448 -6.508 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.074 9.415 -5.236 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.912 7.637 -6.405 1.00 0.00 C ATOM 754 CZ TYR A 46 11.061 8.121 -5.771 1.00 0.00 C ATOM 755 OH TYR A 46 12.182 7.321 -5.670 1.00 0.00 O ATOM 0 H TYR A 46 5.675 12.169 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 46 8.682 12.124 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.412 11.167 -5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.675 10.006 -6.235 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.949 11.223 -4.926 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.886 8.075 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.961 9.788 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.902 6.638 -6.815 1.00 0.00 H new ATOM 0 HH TYR A 46 12.004 6.454 -6.092 1.00 0.00 H new ATOM 765 N SER A 47 8.859 10.655 -9.173 1.00 0.00 N ATOM 766 CA SER A 47 8.910 9.921 -10.469 1.00 0.00 C ATOM 767 C SER A 47 8.433 8.482 -10.266 1.00 0.00 C ATOM 768 O SER A 47 8.534 7.931 -9.188 1.00 0.00 O ATOM 769 CB SER A 47 10.345 9.911 -10.992 1.00 0.00 C ATOM 770 OG SER A 47 10.813 11.248 -11.105 1.00 0.00 O ATOM 0 H SER A 47 9.759 10.987 -8.826 1.00 0.00 H new ATOM 0 HA SER A 47 8.261 10.418 -11.190 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.986 9.345 -10.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.387 9.416 -11.962 1.00 0.00 H new ATOM 0 HG SER A 47 11.734 11.245 -11.439 1.00 0.00 H new ATOM 776 N TYR A 48 7.919 7.870 -11.300 1.00 0.00 N ATOM 777 CA TYR A 48 7.435 6.463 -11.182 1.00 0.00 C ATOM 778 C TYR A 48 8.277 5.556 -12.080 1.00 0.00 C ATOM 779 O TYR A 48 8.764 5.966 -13.114 1.00 0.00 O ATOM 780 CB TYR A 48 5.968 6.387 -11.607 1.00 0.00 C ATOM 781 CG TYR A 48 5.105 7.079 -10.577 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.862 8.455 -10.671 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.551 6.341 -9.525 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.063 9.090 -9.713 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.751 6.975 -8.569 1.00 0.00 C ATOM 786 CZ TYR A 48 3.508 8.350 -8.662 1.00 0.00 C ATOM 787 OH TYR A 48 2.718 8.975 -7.717 1.00 0.00 O ATOM 0 H TYR A 48 7.813 8.286 -12.225 1.00 0.00 H new ATOM 0 HA TYR A 48 7.528 6.134 -10.147 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.836 6.857 -12.581 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.663 5.346 -11.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.291 9.026 -11.482 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.741 5.280 -9.451 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.875 10.151 -9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.321 6.404 -7.760 1.00 0.00 H new ATOM 0 HH TYR A 48 2.413 8.316 -7.059 1.00 0.00 H new ATOM 797 N THR A 49 8.452 4.323 -11.690 1.00 0.00 N ATOM 798 CA THR A 49 9.266 3.388 -12.516 1.00 0.00 C ATOM 799 C THR A 49 8.449 2.925 -13.725 1.00 0.00 C ATOM 800 O THR A 49 7.245 3.080 -13.772 1.00 0.00 O ATOM 801 CB THR A 49 9.658 2.172 -11.673 1.00 0.00 C ATOM 802 OG1 THR A 49 8.503 1.381 -11.426 1.00 0.00 O ATOM 803 CG2 THR A 49 10.253 2.639 -10.345 1.00 0.00 C ATOM 0 H THR A 49 8.066 3.923 -10.835 1.00 0.00 H new ATOM 0 HA THR A 49 10.165 3.900 -12.860 1.00 0.00 H new ATOM 0 HB THR A 49 10.399 1.579 -12.210 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.110 1.636 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.531 1.772 -9.746 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.137 3.247 -10.536 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.515 3.232 -9.804 1.00 0.00 H new ATOM 811 N ASP A 50 9.099 2.362 -14.705 1.00 0.00 N ATOM 812 CA ASP A 50 8.375 1.891 -15.919 1.00 0.00 C ATOM 813 C ASP A 50 7.260 0.918 -15.524 1.00 0.00 C ATOM 814 O ASP A 50 6.222 0.865 -16.150 1.00 0.00 O ATOM 815 CB ASP A 50 9.356 1.184 -16.851 1.00 0.00 C ATOM 816 CG ASP A 50 10.350 2.201 -17.416 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.110 3.387 -17.254 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.333 1.778 -18.001 1.00 0.00 O ATOM 0 H ASP A 50 10.107 2.207 -14.717 1.00 0.00 H new ATOM 0 HA ASP A 50 7.935 2.750 -16.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.888 0.402 -16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.816 0.698 -17.664 1.00 0.00 H new ATOM 823 N ALA A 51 7.472 0.134 -14.504 1.00 0.00 N ATOM 824 CA ALA A 51 6.427 -0.847 -14.088 1.00 0.00 C ATOM 825 C ALA A 51 5.078 -0.144 -13.898 1.00 0.00 C ATOM 826 O ALA A 51 4.189 -0.262 -14.718 1.00 0.00 O ATOM 827 CB ALA A 51 6.843 -1.511 -12.775 1.00 0.00 C ATOM 0 H ALA A 51 8.322 0.129 -13.940 1.00 0.00 H new ATOM 0 HA ALA A 51 6.325 -1.602 -14.868 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.079 -2.227 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.792 -2.029 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.955 -0.751 -12.002 1.00 0.00 H new ATOM 833 N ASN A 52 4.906 0.571 -12.818 1.00 0.00 N ATOM 834 CA ASN A 52 3.601 1.257 -12.579 1.00 0.00 C ATOM 835 C ASN A 52 3.245 2.152 -13.772 1.00 0.00 C ATOM 836 O ASN A 52 2.107 2.204 -14.194 1.00 0.00 O ATOM 837 CB ASN A 52 3.688 2.105 -11.309 1.00 0.00 C ATOM 838 CG ASN A 52 2.307 2.685 -10.984 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.040 3.838 -11.260 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.410 1.932 -10.401 1.00 0.00 N ATOM 0 H ASN A 52 5.610 0.710 -12.093 1.00 0.00 H new ATOM 0 HA ASN A 52 2.824 0.502 -12.459 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.043 1.497 -10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.409 2.911 -11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.490 2.313 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.630 0.964 -10.168 1.00 0.00 H new ATOM 847 N ILE A 53 4.194 2.856 -14.323 1.00 0.00 N ATOM 848 CA ILE A 53 3.877 3.733 -15.481 1.00 0.00 C ATOM 849 C ILE A 53 3.321 2.881 -16.625 1.00 0.00 C ATOM 850 O ILE A 53 2.247 3.131 -17.133 1.00 0.00 O ATOM 851 CB ILE A 53 5.148 4.442 -15.938 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.648 5.362 -14.822 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.843 5.267 -17.181 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.013 5.938 -15.205 1.00 0.00 C ATOM 0 H ILE A 53 5.169 2.862 -14.023 1.00 0.00 H new ATOM 0 HA ILE A 53 3.133 4.475 -15.189 1.00 0.00 H new ATOM 0 HB ILE A 53 5.917 3.704 -16.169 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.935 6.169 -14.656 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.725 4.807 -13.887 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.749 5.776 -17.511 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.485 4.611 -17.975 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.076 6.006 -16.948 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.368 6.593 -14.409 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.724 5.124 -15.349 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.921 6.508 -16.130 1.00 0.00 H new ATOM 866 N LYS A 54 4.043 1.871 -17.029 1.00 0.00 N ATOM 867 CA LYS A 54 3.551 1.000 -18.133 1.00 0.00 C ATOM 868 C LYS A 54 2.248 0.328 -17.697 1.00 0.00 C ATOM 869 O LYS A 54 1.316 0.202 -18.467 1.00 0.00 O ATOM 870 CB LYS A 54 4.598 -0.070 -18.449 1.00 0.00 C ATOM 871 CG LYS A 54 4.151 -0.875 -19.672 1.00 0.00 C ATOM 872 CD LYS A 54 5.165 -1.985 -19.953 1.00 0.00 C ATOM 873 CE LYS A 54 4.807 -2.685 -21.265 1.00 0.00 C ATOM 874 NZ LYS A 54 5.119 -4.139 -21.155 1.00 0.00 N ATOM 0 H LYS A 54 4.951 1.612 -16.643 1.00 0.00 H new ATOM 0 HA LYS A 54 3.374 1.602 -19.024 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.564 0.397 -18.641 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.728 -0.731 -17.592 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.165 -1.305 -19.497 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.064 -0.220 -20.539 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.170 -1.567 -20.014 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.168 -2.704 -19.134 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.749 -2.545 -21.487 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.367 -2.244 -22.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.876 -4.615 -22.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.133 -4.263 -20.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.566 -4.555 -20.379 1.00 0.00 H new ATOM 888 N LYS A 55 2.180 -0.099 -16.465 1.00 0.00 N ATOM 889 CA LYS A 55 0.942 -0.759 -15.966 1.00 0.00 C ATOM 890 C LYS A 55 0.268 0.149 -14.937 1.00 0.00 C ATOM 891 O LYS A 55 0.779 0.359 -13.856 1.00 0.00 O ATOM 892 CB LYS A 55 1.312 -2.090 -15.302 1.00 0.00 C ATOM 893 CG LYS A 55 0.039 -2.851 -14.926 1.00 0.00 C ATOM 894 CD LYS A 55 0.414 -4.164 -14.234 1.00 0.00 C ATOM 895 CE LYS A 55 -0.846 -5.002 -14.009 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.879 -4.172 -13.325 1.00 0.00 N ATOM 0 H LYS A 55 2.932 -0.018 -15.781 1.00 0.00 H new ATOM 0 HA LYS A 55 0.261 -0.941 -16.797 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.918 -2.690 -15.981 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.915 -1.908 -14.412 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.579 -2.243 -14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.553 -3.054 -15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.127 -4.718 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.902 -3.959 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.229 -5.366 -14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.610 -5.878 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.608 -4.792 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.432 -3.617 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.318 -3.528 -14.013 1.00 0.00 H new ATOM 910 N ASN A 56 -0.878 0.684 -15.260 1.00 0.00 N ATOM 911 CA ASN A 56 -1.578 1.572 -14.290 1.00 0.00 C ATOM 912 C ASN A 56 -2.685 0.784 -13.597 1.00 0.00 C ATOM 913 O ASN A 56 -3.409 0.032 -14.221 1.00 0.00 O ATOM 914 CB ASN A 56 -2.181 2.774 -15.018 1.00 0.00 C ATOM 915 CG ASN A 56 -2.627 3.811 -13.985 1.00 0.00 C ATOM 916 OD1 ASN A 56 -3.647 4.449 -14.147 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.896 4.002 -12.918 1.00 0.00 N ATOM 0 H ASN A 56 -1.358 0.545 -16.149 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.863 1.931 -13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.447 3.210 -15.696 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.029 2.459 -15.626 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.182 4.688 -12.220 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.039 3.465 -12.784 1.00 0.00 H new ATOM 924 N VAL A 57 -2.814 0.942 -12.310 1.00 0.00 N ATOM 925 CA VAL A 57 -3.862 0.192 -11.565 1.00 0.00 C ATOM 926 C VAL A 57 -4.649 1.150 -10.669 1.00 0.00 C ATOM 927 O VAL A 57 -4.117 2.113 -10.153 1.00 0.00 O ATOM 928 CB VAL A 57 -3.195 -0.870 -10.697 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.299 -0.182 -9.664 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.270 -1.690 -9.981 1.00 0.00 C ATOM 0 H VAL A 57 -2.237 1.560 -11.740 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.542 -0.279 -12.275 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.593 -1.532 -11.320 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.819 -0.935 -9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.536 0.404 -10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.903 0.476 -9.039 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.795 -2.450 -9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.871 -1.032 -9.353 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.911 -2.173 -10.719 1.00 0.00 H new ATOM 940 N LEU A 58 -5.911 0.885 -10.470 1.00 0.00 N ATOM 941 CA LEU A 58 -6.727 1.769 -9.596 1.00 0.00 C ATOM 942 C LEU A 58 -6.429 1.414 -8.142 1.00 0.00 C ATOM 943 O LEU A 58 -6.490 0.266 -7.752 1.00 0.00 O ATOM 944 CB LEU A 58 -8.215 1.534 -9.877 1.00 0.00 C ATOM 945 CG LEU A 58 -9.056 2.625 -9.199 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.490 2.554 -9.718 1.00 0.00 C ATOM 947 CD2 LEU A 58 -9.069 2.429 -7.679 1.00 0.00 C ATOM 0 H LEU A 58 -6.411 0.094 -10.876 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.485 2.814 -9.790 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.396 1.539 -10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.513 0.552 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.617 3.596 -9.430 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.089 3.328 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.495 2.709 -10.797 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.911 1.575 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.670 3.212 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.497 1.455 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.050 2.481 -7.297 1.00 0.00 H new ATOM 959 N TRP A 59 -6.102 2.382 -7.334 1.00 0.00 N ATOM 960 CA TRP A 59 -5.799 2.073 -5.913 1.00 0.00 C ATOM 961 C TRP A 59 -7.066 2.190 -5.068 1.00 0.00 C ATOM 962 O TRP A 59 -7.559 3.268 -4.806 1.00 0.00 O ATOM 963 CB TRP A 59 -4.740 3.046 -5.396 1.00 0.00 C ATOM 964 CG TRP A 59 -3.420 2.682 -5.991 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.754 3.412 -6.912 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.604 1.507 -5.730 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.578 2.756 -7.235 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.440 1.578 -6.533 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.758 0.398 -4.884 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.466 0.579 -6.497 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.778 -0.606 -4.844 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.636 -0.516 -5.650 1.00 0.00 C ATOM 0 H TRP A 59 -6.032 3.366 -7.594 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.422 1.053 -5.841 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.005 4.069 -5.663 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.688 3.004 -4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.084 4.352 -7.328 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.897 3.103 -7.910 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.636 0.317 -4.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.413 0.653 -7.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.905 -1.454 -4.187 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.112 -1.294 -5.616 1.00 0.00 H new ATOM 983 N ASP A 60 -7.582 1.075 -4.633 1.00 0.00 N ATOM 984 CA ASP A 60 -8.807 1.082 -3.786 1.00 0.00 C ATOM 985 C ASP A 60 -8.608 0.090 -2.636 1.00 0.00 C ATOM 986 O ASP A 60 -7.599 -0.582 -2.559 1.00 0.00 O ATOM 987 CB ASP A 60 -10.019 0.673 -4.626 1.00 0.00 C ATOM 988 CG ASP A 60 -9.781 -0.714 -5.217 1.00 0.00 C ATOM 989 OD1 ASP A 60 -8.784 -1.318 -4.865 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.599 -1.149 -6.010 1.00 0.00 O ATOM 0 H ASP A 60 -7.203 0.149 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.981 2.081 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.918 0.668 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.183 1.397 -5.424 1.00 0.00 H new ATOM 995 N GLU A 61 -9.545 0.003 -1.734 1.00 0.00 N ATOM 996 CA GLU A 61 -9.381 -0.936 -0.584 1.00 0.00 C ATOM 997 C GLU A 61 -9.280 -2.382 -1.086 1.00 0.00 C ATOM 998 O GLU A 61 -8.480 -3.159 -0.601 1.00 0.00 O ATOM 999 CB GLU A 61 -10.587 -0.805 0.344 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.633 0.608 0.925 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.809 0.726 1.895 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.591 -0.207 1.963 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -11.906 1.747 2.553 1.00 0.00 O ATOM 0 H GLU A 61 -10.414 0.537 -1.741 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.466 -0.686 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.505 -1.014 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.522 -1.538 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.699 0.830 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.736 1.339 0.123 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.081 -2.752 -2.046 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.023 -4.151 -2.564 1.00 0.00 C ATOM 1012 C ASN A 62 -8.671 -4.416 -3.229 1.00 0.00 C ATOM 1013 O ASN A 62 -8.000 -5.386 -2.934 1.00 0.00 O ATOM 1014 CB ASN A 62 -11.134 -4.353 -3.595 1.00 0.00 C ATOM 1015 CG ASN A 62 -11.109 -5.796 -4.095 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.641 -6.683 -3.457 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.499 -6.071 -5.216 1.00 0.00 N ATOM 0 H ASN A 62 -10.772 -2.150 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.152 -4.842 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.103 -4.128 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.999 -3.665 -4.430 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.468 -7.032 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.053 -5.325 -5.750 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.276 -3.568 -4.133 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.978 -3.765 -4.837 1.00 0.00 C ATOM 1026 C ASN A 63 -5.819 -3.733 -3.840 1.00 0.00 C ATOM 1027 O ASN A 63 -4.842 -4.440 -3.991 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.791 -2.659 -5.876 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.625 -3.016 -6.799 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -4.568 -2.251 -6.820 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 -5.676 -4.001 -7.508 1.00 0.00 N flip ATOM 0 H ASN A 63 -8.799 -2.740 -4.418 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.988 -4.737 -5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.704 -2.534 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.597 -1.708 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.502 -4.599 -7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.893 -4.230 -8.120 1.00 0.00 H new ATOM 1038 N MET A 64 -5.905 -2.914 -2.830 1.00 0.00 N ATOM 1039 CA MET A 64 -4.790 -2.845 -1.844 1.00 0.00 C ATOM 1040 C MET A 64 -4.535 -4.233 -1.259 1.00 0.00 C ATOM 1041 O MET A 64 -3.404 -4.645 -1.088 1.00 0.00 O ATOM 1042 CB MET A 64 -5.162 -1.878 -0.718 1.00 0.00 C ATOM 1043 CG MET A 64 -5.229 -0.455 -1.273 1.00 0.00 C ATOM 1044 SD MET A 64 -3.773 0.473 -0.731 1.00 0.00 S ATOM 1045 CE MET A 64 -4.265 2.075 -1.410 1.00 0.00 C ATOM 0 H MET A 64 -6.693 -2.293 -2.645 1.00 0.00 H new ATOM 0 HA MET A 64 -3.888 -2.492 -2.344 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.123 -2.157 -0.286 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.425 -1.934 0.083 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.273 -0.480 -2.362 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.137 0.039 -0.928 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.538 2.392 -2.158 1.00 0.00 H new ATOM 0 HE2 MET A 64 -5.248 1.987 -1.873 1.00 0.00 H new ATOM 0 HE3 MET A 64 -4.306 2.813 -0.609 1.00 0.00 H new ATOM 1055 N SER A 65 -5.572 -4.964 -0.959 1.00 0.00 N ATOM 1056 CA SER A 65 -5.372 -6.329 -0.398 1.00 0.00 C ATOM 1057 C SER A 65 -4.659 -7.202 -1.434 1.00 0.00 C ATOM 1058 O SER A 65 -3.757 -7.951 -1.115 1.00 0.00 O ATOM 1059 CB SER A 65 -6.731 -6.944 -0.058 1.00 0.00 C ATOM 1060 OG SER A 65 -7.426 -6.085 0.837 1.00 0.00 O ATOM 0 H SER A 65 -6.544 -4.678 -1.077 1.00 0.00 H new ATOM 0 HA SER A 65 -4.766 -6.268 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.315 -7.090 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.595 -7.926 0.394 1.00 0.00 H new ATOM 0 HG SER A 65 -7.834 -5.350 0.334 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.050 -7.101 -2.676 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.391 -7.916 -3.736 1.00 0.00 C ATOM 1068 C GLU A 66 -2.941 -7.458 -3.901 1.00 0.00 C ATOM 1069 O GLU A 66 -2.050 -8.249 -4.135 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.136 -7.736 -5.060 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.544 -8.676 -6.110 1.00 0.00 C ATOM 1072 CD GLU A 66 -5.219 -8.426 -7.460 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -6.071 -7.555 -7.520 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.874 -9.110 -8.408 1.00 0.00 O ATOM 0 H GLU A 66 -5.798 -6.489 -3.002 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.412 -8.968 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.197 -7.947 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.057 -6.702 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.469 -8.514 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.687 -9.713 -5.807 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.699 -6.181 -3.782 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.311 -5.665 -3.930 1.00 0.00 C ATOM 1083 C HIS A 67 -0.408 -6.352 -2.909 1.00 0.00 C ATOM 1084 O HIS A 67 0.692 -6.767 -3.213 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.311 -4.155 -3.688 1.00 0.00 C ATOM 1086 CG HIS A 67 0.056 -3.590 -3.966 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.646 -3.671 -5.216 1.00 0.00 N ATOM 1088 CD2 HIS A 67 0.957 -2.931 -3.169 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.852 -3.076 -5.139 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.087 -2.610 -3.912 1.00 0.00 N ATOM 0 H HIS A 67 -3.406 -5.472 -3.588 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.941 -5.872 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.049 -3.675 -4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.599 -3.943 -2.658 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.240 -4.103 -6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.811 -2.697 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.541 -2.988 -5.966 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.872 -6.480 -1.700 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.055 -7.145 -0.652 1.00 0.00 C ATOM 1101 C LEU A 68 0.181 -8.604 -1.033 1.00 0.00 C ATOM 1102 O LEU A 68 1.171 -9.192 -0.661 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.793 -7.072 0.684 1.00 0.00 C ATOM 1104 CG LEU A 68 -1.026 -5.610 1.059 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.770 -5.533 2.390 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.322 -4.899 1.191 1.00 0.00 C ATOM 0 H LEU A 68 -1.787 -6.151 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 68 0.907 -6.640 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.746 -7.597 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.211 -7.569 1.460 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.621 -5.129 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.935 -4.489 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.731 -6.040 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.177 -6.015 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.158 -3.855 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.915 -5.384 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.855 -4.951 0.242 1.00 0.00 H new ATOM 1118 N THR A 69 -0.723 -9.199 -1.763 1.00 0.00 N ATOM 1119 CA THR A 69 -0.529 -10.624 -2.152 1.00 0.00 C ATOM 1120 C THR A 69 0.397 -10.700 -3.369 1.00 0.00 C ATOM 1121 O THR A 69 0.144 -10.089 -4.390 1.00 0.00 O ATOM 1122 CB THR A 69 -1.881 -11.248 -2.505 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.832 -10.911 -1.504 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.739 -12.768 -2.584 1.00 0.00 C ATOM 0 H THR A 69 -1.580 -8.764 -2.104 1.00 0.00 H new ATOM 0 HA THR A 69 -0.083 -11.168 -1.319 1.00 0.00 H new ATOM 0 HB THR A 69 -2.216 -10.866 -3.469 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.085 -9.969 -1.597 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.703 -13.211 -2.835 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.010 -13.026 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.403 -13.153 -1.621 1.00 0.00 H new ATOM 1132 N ASN A 70 1.459 -11.454 -3.269 1.00 0.00 N ATOM 1133 CA ASN A 70 2.407 -11.591 -4.415 1.00 0.00 C ATOM 1134 C ASN A 70 2.555 -10.251 -5.148 1.00 0.00 C ATOM 1135 O ASN A 70 2.233 -10.139 -6.315 1.00 0.00 O ATOM 1136 CB ASN A 70 1.870 -12.641 -5.390 1.00 0.00 C ATOM 1137 CG ASN A 70 1.350 -13.847 -4.605 1.00 0.00 C ATOM 1138 OD1 ASN A 70 1.593 -13.968 -3.421 1.00 0.00 O ATOM 1139 ND2 ASN A 70 0.638 -14.753 -5.220 1.00 0.00 N ATOM 0 H ASN A 70 1.713 -11.985 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 70 3.382 -11.897 -4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.070 -12.215 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.658 -12.952 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.287 -15.561 -4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.433 -14.652 -6.214 1.00 0.00 H new ATOM 1146 N PRO A 71 3.035 -9.241 -4.471 1.00 0.00 N ATOM 1147 CA PRO A 71 3.224 -7.885 -5.071 1.00 0.00 C ATOM 1148 C PRO A 71 4.235 -7.877 -6.223 1.00 0.00 C ATOM 1149 O PRO A 71 4.234 -6.986 -7.050 1.00 0.00 O ATOM 1150 CB PRO A 71 3.741 -7.025 -3.911 1.00 0.00 C ATOM 1151 CG PRO A 71 4.245 -7.983 -2.885 1.00 0.00 C ATOM 1152 CD PRO A 71 3.452 -9.276 -3.063 1.00 0.00 C ATOM 0 HA PRO A 71 2.293 -7.520 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.535 -6.356 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.947 -6.399 -3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.312 -8.163 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.109 -7.581 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.063 -10.153 -2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.594 -9.314 -2.392 1.00 0.00 H new ATOM 1160 N ALA A 72 5.102 -8.849 -6.282 1.00 0.00 N ATOM 1161 CA ALA A 72 6.115 -8.874 -7.377 1.00 0.00 C ATOM 1162 C ALA A 72 5.412 -8.974 -8.735 1.00 0.00 C ATOM 1163 O ALA A 72 5.600 -8.144 -9.601 1.00 0.00 O ATOM 1164 CB ALA A 72 7.035 -10.082 -7.190 1.00 0.00 C ATOM 0 H ALA A 72 5.154 -9.625 -5.622 1.00 0.00 H new ATOM 0 HA ALA A 72 6.702 -7.956 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.776 -10.102 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.541 -10.008 -6.228 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.444 -10.997 -7.220 1.00 0.00 H new ATOM 1170 N LYS A 73 4.604 -9.980 -8.928 1.00 0.00 N ATOM 1171 CA LYS A 73 3.894 -10.124 -10.231 1.00 0.00 C ATOM 1172 C LYS A 73 2.977 -8.919 -10.450 1.00 0.00 C ATOM 1173 O LYS A 73 2.805 -8.446 -11.556 1.00 0.00 O ATOM 1174 CB LYS A 73 3.058 -11.405 -10.215 1.00 0.00 C ATOM 1175 CG LYS A 73 3.984 -12.618 -10.102 1.00 0.00 C ATOM 1176 CD LYS A 73 3.158 -13.902 -10.201 1.00 0.00 C ATOM 1177 CE LYS A 73 4.064 -15.111 -9.959 1.00 0.00 C ATOM 1178 NZ LYS A 73 3.542 -15.900 -8.807 1.00 0.00 N ATOM 0 H LYS A 73 4.405 -10.707 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 73 4.624 -10.175 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.361 -11.387 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.461 -11.474 -11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.732 -12.593 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.522 -12.591 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.352 -13.886 -9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.693 -13.973 -11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.103 -15.734 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.083 -14.781 -9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.157 -16.722 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.526 -15.303 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.578 -16.227 -9.018 1.00 0.00 H new ATOM 1192 N TYR A 74 2.383 -8.427 -9.400 1.00 0.00 N ATOM 1193 CA TYR A 74 1.467 -7.257 -9.530 1.00 0.00 C ATOM 1194 C TYR A 74 2.220 -6.054 -10.105 1.00 0.00 C ATOM 1195 O TYR A 74 1.795 -5.450 -11.070 1.00 0.00 O ATOM 1196 CB TYR A 74 0.932 -6.912 -8.141 1.00 0.00 C ATOM 1197 CG TYR A 74 0.032 -5.701 -8.206 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.319 -5.842 -8.545 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.548 -4.437 -7.901 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.151 -4.717 -8.580 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.283 -3.315 -7.931 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.630 -3.453 -8.269 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.443 -2.342 -8.289 1.00 0.00 O ATOM 0 H TYR A 74 2.492 -8.786 -8.451 1.00 0.00 H new ATOM 0 HA TYR A 74 0.647 -7.503 -10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.381 -7.761 -7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.763 -6.719 -7.463 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.719 -6.818 -8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.591 -4.329 -7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.192 -4.822 -8.846 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.117 -2.340 -7.693 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.281 -2.541 -7.821 1.00 0.00 H new ATOM 1213 N ILE A 75 3.337 -5.705 -9.525 1.00 0.00 N ATOM 1214 CA ILE A 75 4.112 -4.540 -10.042 1.00 0.00 C ATOM 1215 C ILE A 75 5.611 -4.862 -9.966 1.00 0.00 C ATOM 1216 O ILE A 75 6.304 -4.446 -9.061 1.00 0.00 O ATOM 1217 CB ILE A 75 3.778 -3.298 -9.198 1.00 0.00 C ATOM 1218 CG1 ILE A 75 2.446 -2.699 -9.668 1.00 0.00 C ATOM 1219 CG2 ILE A 75 4.878 -2.242 -9.331 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.661 -1.818 -10.906 1.00 0.00 C ATOM 0 H ILE A 75 3.746 -6.175 -8.717 1.00 0.00 H new ATOM 0 HA ILE A 75 3.848 -4.338 -11.080 1.00 0.00 H new ATOM 0 HB ILE A 75 3.703 -3.601 -8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.743 -3.499 -9.901 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.003 -2.108 -8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.622 -1.372 -8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.825 -2.658 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.971 -1.943 -10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.706 -1.401 -11.226 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.347 -1.007 -10.661 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.083 -2.419 -11.712 1.00 0.00 H new ATOM 1232 N PRO A 76 6.101 -5.617 -10.912 1.00 0.00 N ATOM 1233 CA PRO A 76 7.530 -6.021 -10.970 1.00 0.00 C ATOM 1234 C PRO A 76 8.415 -4.974 -11.661 1.00 0.00 C ATOM 1235 O PRO A 76 7.967 -4.236 -12.515 1.00 0.00 O ATOM 1236 CB PRO A 76 7.490 -7.306 -11.793 1.00 0.00 C ATOM 1237 CG PRO A 76 6.313 -7.156 -12.705 1.00 0.00 C ATOM 1238 CD PRO A 76 5.338 -6.175 -12.037 1.00 0.00 C ATOM 0 HA PRO A 76 7.960 -6.138 -9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.412 -7.439 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.381 -8.180 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.627 -6.782 -13.679 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.833 -8.120 -12.874 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.022 -5.395 -12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.436 -6.682 -11.694 1.00 0.00 H new ATOM 1246 N GLY A 77 9.672 -4.916 -11.308 1.00 0.00 N ATOM 1247 CA GLY A 77 10.585 -3.932 -11.953 1.00 0.00 C ATOM 1248 C GLY A 77 10.741 -2.691 -11.069 1.00 0.00 C ATOM 1249 O GLY A 77 11.469 -1.775 -11.395 1.00 0.00 O ATOM 0 H GLY A 77 10.105 -5.509 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.560 -4.389 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.191 -3.645 -12.928 1.00 0.00 H new ATOM 1253 N THR A 78 10.064 -2.647 -9.954 1.00 0.00 N ATOM 1254 CA THR A 78 10.180 -1.459 -9.060 1.00 0.00 C ATOM 1255 C THR A 78 11.127 -1.769 -7.901 1.00 0.00 C ATOM 1256 O THR A 78 11.477 -2.906 -7.654 1.00 0.00 O ATOM 1257 CB THR A 78 8.802 -1.102 -8.509 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.446 -2.029 -7.490 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.779 -1.165 -9.638 1.00 0.00 C ATOM 0 H THR A 78 9.437 -3.380 -9.624 1.00 0.00 H new ATOM 0 HA THR A 78 10.576 -0.619 -9.630 1.00 0.00 H new ATOM 0 HB THR A 78 8.822 -0.096 -8.091 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.562 -1.800 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.793 -0.911 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.055 -0.457 -10.419 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.757 -2.173 -10.053 1.00 0.00 H new ATOM 1267 N LYS A 79 11.543 -0.760 -7.188 1.00 0.00 N ATOM 1268 CA LYS A 79 12.466 -0.979 -6.040 1.00 0.00 C ATOM 1269 C LYS A 79 11.658 -1.413 -4.816 1.00 0.00 C ATOM 1270 O LYS A 79 12.192 -1.597 -3.741 1.00 0.00 O ATOM 1271 CB LYS A 79 13.195 0.329 -5.729 1.00 0.00 C ATOM 1272 CG LYS A 79 13.983 0.783 -6.960 1.00 0.00 C ATOM 1273 CD LYS A 79 14.805 2.025 -6.614 1.00 0.00 C ATOM 1274 CE LYS A 79 13.865 3.183 -6.270 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.780 3.330 -4.789 1.00 0.00 N ATOM 0 H LYS A 79 11.282 0.212 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 79 13.190 -1.754 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.478 1.097 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.869 0.189 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.640 -0.018 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.300 1.004 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.463 1.815 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.442 2.298 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.230 4.107 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.874 2.997 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.799 3.541 -4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.082 2.445 -4.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.400 4.107 -4.481 1.00 0.00 H new ATOM 1289 N MET A 80 10.371 -1.572 -4.971 1.00 0.00 N ATOM 1290 CA MET A 80 9.525 -1.985 -3.816 1.00 0.00 C ATOM 1291 C MET A 80 9.571 -3.506 -3.656 1.00 0.00 C ATOM 1292 O MET A 80 9.339 -4.247 -4.589 1.00 0.00 O ATOM 1293 CB MET A 80 8.082 -1.540 -4.058 1.00 0.00 C ATOM 1294 CG MET A 80 7.211 -1.960 -2.872 1.00 0.00 C ATOM 1295 SD MET A 80 5.639 -1.066 -2.934 1.00 0.00 S ATOM 1296 CE MET A 80 4.575 -2.437 -2.421 1.00 0.00 C ATOM 0 H MET A 80 9.869 -1.433 -5.848 1.00 0.00 H new ATOM 0 HA MET A 80 9.904 -1.518 -2.907 1.00 0.00 H new ATOM 0 HB2 MET A 80 8.041 -0.459 -4.188 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.702 -1.986 -4.977 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.032 -3.035 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.726 -1.748 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.609 -2.047 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.431 -3.119 -3.259 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.043 -2.971 -1.594 1.00 0.00 H new ATOM 1306 N ALA A 81 9.864 -3.972 -2.471 1.00 0.00 N ATOM 1307 CA ALA A 81 9.919 -5.442 -2.235 1.00 0.00 C ATOM 1308 C ALA A 81 9.118 -5.780 -0.977 1.00 0.00 C ATOM 1309 O ALA A 81 9.648 -5.849 0.113 1.00 0.00 O ATOM 1310 CB ALA A 81 11.370 -5.876 -2.042 1.00 0.00 C ATOM 0 H ALA A 81 10.068 -3.395 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 81 9.496 -5.964 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.408 -6.952 -1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.945 -5.631 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.794 -5.356 -1.183 1.00 0.00 H new ATOM 1316 N PHE A 82 7.841 -5.987 -1.125 1.00 0.00 N ATOM 1317 CA PHE A 82 6.992 -6.317 0.053 1.00 0.00 C ATOM 1318 C PHE A 82 6.687 -7.817 0.053 1.00 0.00 C ATOM 1319 O PHE A 82 6.296 -8.380 -0.952 1.00 0.00 O ATOM 1320 CB PHE A 82 5.690 -5.520 -0.032 1.00 0.00 C ATOM 1321 CG PHE A 82 4.860 -5.749 1.209 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.090 -4.981 2.357 1.00 0.00 C ATOM 1323 CD2 PHE A 82 3.851 -6.718 1.208 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.311 -5.183 3.503 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.074 -6.922 2.352 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.302 -6.155 3.499 1.00 0.00 C ATOM 0 H PHE A 82 7.346 -5.942 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 82 7.515 -6.059 0.974 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.911 -4.458 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.127 -5.821 -0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.869 -4.233 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.672 -7.309 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.488 -4.590 4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.297 -7.672 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.700 -6.312 4.382 1.00 0.00 H new ATOM 1336 N GLY A 83 6.866 -8.469 1.168 1.00 0.00 N ATOM 1337 CA GLY A 83 6.592 -9.933 1.229 1.00 0.00 C ATOM 1338 C GLY A 83 5.085 -10.180 1.171 1.00 0.00 C ATOM 1339 O GLY A 83 4.299 -9.411 1.687 1.00 0.00 O ATOM 0 H GLY A 83 7.190 -8.052 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.085 -10.440 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.003 -10.351 2.148 1.00 0.00 H new ATOM 1343 N GLY A 84 4.674 -11.252 0.546 1.00 0.00 N ATOM 1344 CA GLY A 84 3.217 -11.549 0.460 1.00 0.00 C ATOM 1345 C GLY A 84 2.721 -12.056 1.816 1.00 0.00 C ATOM 1346 O GLY A 84 3.423 -12.753 2.520 1.00 0.00 O ATOM 0 H GLY A 84 5.284 -11.932 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.668 -10.652 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.032 -12.298 -0.310 1.00 0.00 H new ATOM 1350 N LEU A 85 1.518 -11.710 2.192 1.00 0.00 N ATOM 1351 CA LEU A 85 0.993 -12.177 3.507 1.00 0.00 C ATOM 1352 C LEU A 85 0.152 -13.439 3.302 1.00 0.00 C ATOM 1353 O LEU A 85 -0.784 -13.455 2.528 1.00 0.00 O ATOM 1354 CB LEU A 85 0.119 -11.084 4.128 1.00 0.00 C ATOM 1355 CG LEU A 85 0.914 -9.781 4.218 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.080 -8.723 4.940 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.210 -10.026 4.996 1.00 0.00 C ATOM 0 H LEU A 85 0.880 -11.128 1.649 1.00 0.00 H new ATOM 0 HA LEU A 85 1.829 -12.397 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.777 -10.934 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.212 -11.389 5.121 1.00 0.00 H new ATOM 0 HG LEU A 85 1.153 -9.432 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.647 -7.794 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.843 -8.547 4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.160 -9.072 5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.777 -9.097 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.971 -10.375 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.806 -10.780 4.482 1.00 0.00 H new ATOM 1369 N LYS A 86 0.483 -14.496 3.991 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.293 -15.758 3.840 1.00 0.00 C ATOM 1371 C LYS A 86 -1.726 -15.558 4.343 1.00 0.00 C ATOM 1372 O LYS A 86 -2.664 -16.115 3.807 1.00 0.00 O ATOM 1373 CB LYS A 86 0.381 -16.869 4.649 1.00 0.00 C ATOM 1374 CG LYS A 86 1.759 -17.168 4.057 1.00 0.00 C ATOM 1375 CD LYS A 86 2.434 -18.275 4.869 1.00 0.00 C ATOM 1376 CE LYS A 86 1.643 -19.577 4.721 1.00 0.00 C ATOM 1377 NZ LYS A 86 2.590 -20.721 4.583 1.00 0.00 N ATOM 0 H LYS A 86 1.258 -14.540 4.653 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.322 -16.035 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.479 -16.566 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.235 -17.768 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.660 -17.475 3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.374 -16.268 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.458 -18.419 4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.488 -17.988 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.001 -19.725 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.992 -19.522 3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.053 -21.606 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.185 -20.580 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.193 -20.776 5.428 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.906 -14.781 5.379 1.00 0.00 N ATOM 1392 CA LYS A 87 -3.280 -14.570 5.916 1.00 0.00 C ATOM 1393 C LYS A 87 -3.908 -13.319 5.298 1.00 0.00 C ATOM 1394 O LYS A 87 -3.324 -12.254 5.285 1.00 0.00 O ATOM 1395 CB LYS A 87 -3.218 -14.404 7.433 1.00 0.00 C ATOM 1396 CG LYS A 87 -2.731 -15.705 8.071 1.00 0.00 C ATOM 1397 CD LYS A 87 -2.826 -15.588 9.591 1.00 0.00 C ATOM 1398 CE LYS A 87 -2.224 -16.836 10.240 1.00 0.00 C ATOM 1399 NZ LYS A 87 -3.298 -17.601 10.937 1.00 0.00 N ATOM 0 H LYS A 87 -1.164 -14.286 5.874 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.890 -15.437 5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.546 -13.586 7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.203 -14.143 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.334 -16.543 7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.702 -15.906 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.297 -14.698 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.867 -15.475 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.751 -17.461 9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.447 -16.551 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.889 -18.449 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.730 -17.003 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.025 -17.885 10.249 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.104 -13.448 4.795 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.796 -12.280 4.184 1.00 0.00 C ATOM 1415 C GLU A 88 -6.290 -11.341 5.288 1.00 0.00 C ATOM 1416 O GLU A 88 -6.325 -10.139 5.124 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.991 -12.769 3.362 1.00 0.00 C ATOM 1418 CG GLU A 88 -7.620 -11.585 2.623 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.873 -12.054 1.883 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.197 -13.226 1.989 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -9.489 -11.235 1.220 1.00 0.00 O ATOM 0 H GLU A 88 -5.635 -14.319 4.781 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.101 -11.746 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.669 -13.528 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.728 -13.237 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.876 -10.796 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.905 -11.161 1.918 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.681 -11.884 6.410 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.185 -11.023 7.518 1.00 0.00 C ATOM 1430 C LYS A 89 -6.115 -9.998 7.897 1.00 0.00 C ATOM 1431 O LYS A 89 -6.413 -8.851 8.166 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.510 -11.894 8.732 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.663 -12.838 8.389 1.00 0.00 C ATOM 1434 CD LYS A 89 -9.067 -13.626 9.637 1.00 0.00 C ATOM 1435 CE LYS A 89 -10.139 -14.654 9.268 1.00 0.00 C ATOM 1436 NZ LYS A 89 -9.633 -16.025 9.562 1.00 0.00 N ATOM 0 H LYS A 89 -6.673 -12.885 6.607 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.086 -10.502 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.631 -12.468 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.780 -11.266 9.581 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.514 -12.269 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.363 -13.522 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.197 -14.128 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.446 -12.948 10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.052 -14.463 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.393 -14.567 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.361 -16.725 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.774 -16.205 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.411 -16.103 10.575 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.874 -10.396 7.914 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.796 -9.438 8.268 1.00 0.00 C ATOM 1452 C ASP A 90 -3.811 -8.282 7.267 1.00 0.00 C ATOM 1453 O ASP A 90 -3.597 -7.138 7.619 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.446 -10.152 8.205 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.375 -11.209 9.309 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.221 -11.176 10.188 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.480 -12.035 9.255 1.00 0.00 O ATOM 0 H ASP A 90 -4.562 -11.343 7.698 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.955 -9.054 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.316 -10.621 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.636 -9.432 8.324 1.00 0.00 H new ATOM 1462 N ARG A 91 -4.065 -8.574 6.021 1.00 0.00 N ATOM 1463 CA ARG A 91 -4.097 -7.499 4.990 1.00 0.00 C ATOM 1464 C ARG A 91 -5.198 -6.490 5.327 1.00 0.00 C ATOM 1465 O ARG A 91 -5.036 -5.299 5.151 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.391 -8.124 3.626 1.00 0.00 C ATOM 1467 CG ARG A 91 -3.257 -9.073 3.242 1.00 0.00 C ATOM 1468 CD ARG A 91 -3.559 -9.701 1.882 1.00 0.00 C ATOM 1469 NE ARG A 91 -2.572 -10.783 1.607 1.00 0.00 N ATOM 1470 CZ ARG A 91 -2.910 -11.812 0.876 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -4.108 -11.887 0.361 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.048 -12.765 0.654 1.00 0.00 N ATOM 0 H ARG A 91 -4.252 -9.514 5.672 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.134 -6.989 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.336 -8.665 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.497 -7.344 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.312 -8.531 3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.147 -9.851 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.571 -10.106 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.512 -8.943 1.100 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.629 -10.720 1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.783 -11.141 0.529 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.369 -12.692 -0.209 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.110 -12.707 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.312 -13.568 0.083 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.322 -6.959 5.797 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.436 -6.032 6.131 1.00 0.00 C ATOM 1488 C ASN A 92 -6.989 -5.033 7.201 1.00 0.00 C ATOM 1489 O ASN A 92 -7.317 -3.865 7.144 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.619 -6.843 6.653 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.128 -7.776 5.552 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -9.317 -8.955 5.777 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -9.359 -7.294 4.362 1.00 0.00 N ATOM 0 H ASN A 92 -6.515 -7.947 5.964 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.728 -5.482 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.318 -7.423 7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.417 -6.174 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.698 -7.907 3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.200 -6.304 4.173 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.247 -5.478 8.179 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.795 -4.550 9.242 1.00 0.00 C ATOM 1502 C ASP A 93 -4.863 -3.493 8.645 1.00 0.00 C ATOM 1503 O ASP A 93 -4.935 -2.328 8.983 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.050 -5.347 10.309 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.016 -6.315 10.996 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.212 -6.138 10.836 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.542 -7.215 11.667 1.00 0.00 O ATOM 0 H ASP A 93 -5.937 -6.444 8.283 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.657 -4.052 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.227 -5.899 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.614 -4.671 11.044 1.00 0.00 H new ATOM 1512 N LEU A 94 -3.984 -3.889 7.763 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.048 -2.901 7.157 1.00 0.00 C ATOM 1514 C LEU A 94 -3.839 -1.842 6.390 1.00 0.00 C ATOM 1515 O LEU A 94 -3.562 -0.662 6.481 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.094 -3.621 6.201 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.097 -2.614 5.623 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.290 -1.984 6.758 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.146 -3.331 4.669 1.00 0.00 C ATOM 0 H LEU A 94 -3.875 -4.850 7.438 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.474 -2.417 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.563 -4.413 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.657 -4.095 5.397 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.640 -1.837 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.420 -1.267 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.965 -1.473 7.444 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.252 -2.763 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.565 -2.615 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.394 -4.108 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.717 -3.783 3.858 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.826 -2.246 5.642 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.633 -1.251 4.884 1.00 0.00 C ATOM 1533 C ILE A 95 -6.371 -0.352 5.877 1.00 0.00 C ATOM 1534 O ILE A 95 -6.547 0.827 5.654 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.636 -1.980 3.993 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.877 -2.879 3.011 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.467 -0.957 3.218 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.867 -3.756 2.238 1.00 0.00 C ATOM 0 H ILE A 95 -5.108 -3.219 5.523 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.982 -0.642 4.257 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.299 -2.590 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.299 -2.268 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.167 -3.505 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.183 -1.477 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.002 -0.317 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.809 -0.347 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.322 -4.393 1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.425 -4.378 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.559 -3.122 1.684 1.00 0.00 H new ATOM 1550 N THR A 96 -6.802 -0.910 6.974 1.00 0.00 N ATOM 1551 CA THR A 96 -7.531 -0.108 7.993 1.00 0.00 C ATOM 1552 C THR A 96 -6.670 1.080 8.436 1.00 0.00 C ATOM 1553 O THR A 96 -7.159 2.176 8.620 1.00 0.00 O ATOM 1554 CB THR A 96 -7.829 -0.990 9.209 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.424 -2.204 8.776 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.790 -0.259 10.147 1.00 0.00 C ATOM 0 H THR A 96 -6.679 -1.895 7.209 1.00 0.00 H new ATOM 0 HA THR A 96 -8.461 0.261 7.561 1.00 0.00 H new ATOM 0 HB THR A 96 -6.901 -1.206 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.568 -2.791 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.002 -0.887 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.335 0.674 10.479 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.719 -0.043 9.620 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.392 0.871 8.621 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.511 1.991 9.066 1.00 0.00 C ATOM 1566 C TYR A 97 -4.463 3.087 7.996 1.00 0.00 C ATOM 1567 O TYR A 97 -4.751 4.237 8.264 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.101 1.454 9.322 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.229 2.561 9.863 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.273 2.885 11.225 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.376 3.261 9.005 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.463 3.911 11.727 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.565 4.288 9.506 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.610 4.613 10.868 1.00 0.00 C ATOM 1575 OH TYR A 97 0.190 5.624 11.360 1.00 0.00 O ATOM 0 H TYR A 97 -4.922 -0.024 8.484 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.913 2.419 9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.139 0.627 10.031 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.677 1.062 8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.932 2.344 11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.342 3.010 7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.497 4.161 12.777 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.094 4.828 8.843 1.00 0.00 H new ATOM 0 HH TYR A 97 0.721 6.006 10.630 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.114 2.748 6.782 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.069 3.787 5.713 1.00 0.00 C ATOM 1587 C LEU A 98 -5.491 4.253 5.417 1.00 0.00 C ATOM 1588 O LEU A 98 -5.741 5.417 5.172 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.438 3.200 4.448 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.967 2.870 4.709 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.358 2.232 3.460 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.210 4.161 5.033 1.00 0.00 C ATOM 0 H LEU A 98 -3.860 1.805 6.487 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.468 4.633 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.974 2.300 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.521 3.911 3.626 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.893 2.177 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.310 1.997 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.898 1.316 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.431 2.927 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.161 3.931 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.286 4.849 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.643 4.624 5.920 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.427 3.349 5.451 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.840 3.728 5.188 1.00 0.00 C ATOM 1606 C LYS A 99 -8.260 4.805 6.191 1.00 0.00 C ATOM 1607 O LYS A 99 -8.948 5.747 5.857 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.728 2.494 5.358 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.184 2.854 5.065 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.075 1.642 5.338 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.533 2.000 5.045 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.188 0.869 4.328 1.00 0.00 N ATOM 0 H LYS A 99 -6.273 2.361 5.650 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.943 4.113 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.398 1.703 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.637 2.108 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.494 3.694 5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.290 3.170 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.764 0.802 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.969 1.327 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.061 2.210 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.582 2.905 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.268 1.099 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.617 0.008 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.137 0.711 4.723 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.844 4.669 7.420 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.208 5.681 8.450 1.00 0.00 C ATOM 1628 C LYS A 100 -7.680 7.049 8.026 1.00 0.00 C ATOM 1629 O LYS A 100 -8.331 8.061 8.193 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.574 5.288 9.782 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.013 6.268 10.869 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.273 5.940 12.163 1.00 0.00 C ATOM 1633 CE LYS A 100 -7.855 6.769 13.310 1.00 0.00 C ATOM 1634 NZ LYS A 100 -8.905 5.979 14.011 1.00 0.00 N ATOM 0 H LYS A 100 -7.266 3.898 7.756 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.292 5.725 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.870 4.274 10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.488 5.290 9.694 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.798 7.292 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.090 6.201 11.024 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.364 4.877 12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.210 6.152 12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.066 7.046 14.009 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.279 7.696 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.301 6.542 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.662 5.736 13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.487 5.106 14.392 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.497 7.084 7.480 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.913 8.384 7.046 1.00 0.00 C ATOM 1650 C ALA A 101 -6.844 9.051 6.031 1.00 0.00 C ATOM 1651 O ALA A 101 -6.937 10.260 5.964 1.00 0.00 O ATOM 1652 CB ALA A 101 -4.547 8.139 6.400 1.00 0.00 C ATOM 0 H ALA A 101 -5.908 6.268 7.315 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.795 9.035 7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.119 9.090 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.882 7.665 7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.665 7.487 5.535 1.00 0.00 H new ATOM 1658 N THR A 102 -7.533 8.275 5.240 1.00 0.00 N ATOM 1659 CA THR A 102 -8.458 8.875 4.235 1.00 0.00 C ATOM 1660 C THR A 102 -9.605 9.584 4.958 1.00 0.00 C ATOM 1661 O THR A 102 -10.207 10.501 4.436 1.00 0.00 O ATOM 1662 CB THR A 102 -9.028 7.774 3.339 1.00 0.00 C ATOM 1663 OG1 THR A 102 -9.872 6.929 4.108 1.00 0.00 O ATOM 1664 CG2 THR A 102 -7.883 6.951 2.745 1.00 0.00 C ATOM 0 H THR A 102 -7.497 7.256 5.245 1.00 0.00 H new ATOM 0 HA THR A 102 -7.911 9.593 3.624 1.00 0.00 H new ATOM 0 HB THR A 102 -9.604 8.226 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 102 -9.325 6.288 4.608 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.291 6.167 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.237 7.600 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.304 6.499 3.550 1.00 0.00 H new ATOM 1672 N GLU A 103 -9.911 9.166 6.154 1.00 0.00 N ATOM 1673 CA GLU A 103 -11.021 9.815 6.909 1.00 0.00 C ATOM 1674 C GLU A 103 -10.625 11.251 7.261 1.00 0.00 C ATOM 1675 O GLU A 103 -9.671 11.485 7.975 1.00 0.00 O ATOM 1676 CB GLU A 103 -11.292 9.032 8.195 1.00 0.00 C ATOM 1677 CG GLU A 103 -12.521 9.610 8.897 1.00 0.00 C ATOM 1678 CD GLU A 103 -12.734 8.892 10.230 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -11.936 8.025 10.547 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -13.691 9.221 10.912 1.00 0.00 O ATOM 0 H GLU A 103 -9.441 8.403 6.642 1.00 0.00 H new ATOM 0 HA GLU A 103 -11.921 9.825 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.454 7.979 7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.426 9.085 8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.388 10.679 9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.402 9.494 8.265 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.478 1.056 -1.764 1.00 0.00 FE HETATM 1689 CHA HEC A 201 4.989 2.653 -4.710 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.137 0.647 -1.439 1.00 0.00 C HETATM 1691 CHC HEC A 201 5.961 -0.499 1.192 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.824 1.423 -2.127 1.00 0.00 C HETATM 1693 NA HEC A 201 3.911 1.546 -2.833 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.878 2.207 -4.043 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.528 2.347 -4.536 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.722 1.855 -3.567 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.586 1.306 -2.552 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.252 2.067 -3.451 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.128 2.644 -5.943 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.558 4.045 -6.386 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.333 4.846 -6.837 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.307 6.040 -6.587 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.444 4.253 -7.427 1.00 0.00 O HETATM 1704 NB HEC A 201 4.306 0.239 -0.421 1.00 0.00 N HETATM 1705 C1B HEC A 201 2.934 0.141 -0.442 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.427 -0.554 0.718 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.506 -0.767 1.534 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.663 -0.346 0.772 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.106 -1.247 0.776 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.499 -1.007 3.023 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.228 -1.655 3.579 1.00 0.00 C HETATM 1712 NC HEC A 201 7.046 0.567 -0.702 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.075 -0.087 0.507 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.424 -0.312 0.959 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.233 0.313 0.077 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.377 0.793 -0.988 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.855 -1.326 1.960 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.660 0.681 0.322 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.622 -0.489 0.111 1.00 0.00 C HETATM 1720 ND HEC A 201 6.645 1.869 -3.110 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.021 1.923 -3.119 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.518 2.553 -4.317 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.435 2.986 -4.996 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.283 2.501 -4.279 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.896 2.430 -4.866 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.434 3.978 -6.106 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.431 3.310 -7.482 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.905 4.297 -8.526 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.789 3.905 -9.676 1.00 0.00 O HETATM 1730 O2D HEC A 201 6.631 5.427 -8.160 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.614 2.798 -4.133 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.108 1.384 -5.087 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.977 3.018 -5.780 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.354 -1.136 2.909 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.593 -2.323 1.604 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 9.934 -1.263 2.100 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.309 -0.528 0.587 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.073 -2.032 0.020 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 0.970 -1.689 1.763 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.044 3.133 -3.360 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.243 1.675 -4.339 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.122 1.548 -2.569 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.439 2.989 -7.745 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 6.807 2.417 -7.463 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.366 -1.298 0.795 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.543 -0.844 -0.917 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.643 -0.160 0.304 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.371 -1.016 3.366 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.080 -2.628 3.110 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.327 -1.783 4.657 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.057 4.559 -5.565 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.278 3.974 -7.202 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.559 4.621 -6.015 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.311 4.619 -6.018 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.571 1.903 -6.608 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.046 2.551 -6.038 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.901 1.533 -2.250 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.120 -0.990 2.152 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.060 0.513 -1.336 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.833 3.169 -5.657 1.00 0.00 H new