USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 167:sc= 0.654 USER MOD Set 1.2: A 80 MET CE :methyl -156:sc= -0.548 (180deg=-1.9!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -4.57! C(o=-9.3!,f=-10!) USER MOD Set 2.2: A 56 ASN :FLIP amide:sc= -4.76! C(o=-23!,f=-9.3!) USER MOD Set 3.1: A 40 SER OG : rot 166:sc= 0.125! USER MOD Set 3.2: A 52 ASN : amide:sc= -0.792 K(o=-0.67,f=-12!) USER MOD Set 4.1: A 31 ASN : amide:sc= -9.54! C(o=-13!,f=-13!) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -3.69 K(o=-13,f=-20!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -60:sc= 0.797 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 147:sc= 0.102 (180deg=0) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -107:sc= -0.206 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.972 F(o=-3.8!,f=-0.97) USER MOD Single : A 19 THR OG1 : rot 111:sc= -0.383 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= -0.0406 (180deg=-0.573) USER MOD Single : A 26 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -9.79! C(o=-17!,f=-9.8!) USER MOD Single : A 46 TYR OH : rot 178:sc= -0.764 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 60:sc= -0.168 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= -1.29 (180deg=-3.8!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.481 X(o=-0.48,f=-0.0053) USER MOD Single : A 63 ASN :FLIP amide:sc= -3.32! C(o=-4.9!,f=-3.3!) USER MOD Single : A 64 MET CE :methyl -132:sc= -1.05 (180deg=-5.46!) USER MOD Single : A 65 SER OG : rot 150:sc= -0.822 USER MOD Single : A 69 THR OG1 : rot -29:sc= -0.661 USER MOD Single : A 70 ASN : amide:sc= -0.0527 K(o=-0.053,f=-2.3!) USER MOD Single : A 71 HIS : no HE2:sc= -7.58! C(o=-7.6!,f=-10!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 78 THR OG1 : rot 90:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= -1.35 (180deg=-1.37) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.391 (180deg=-1.07) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00968 K(o=-0.0097,f=-1.5!) USER MOD Single : A 96 THR OG1 : rot 170:sc= -0.815 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= -1.04 (180deg=-3.16!) USER MOD Single : A 100 LYS NZ :NH3+ -140:sc= -0.616 (180deg=-1.54!) USER MOD Single : A 102 THR OG1 : rot 117:sc= -0.734 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 15.859 0.541 -6.363 1.00 0.00 N ATOM 2 CA THR A -5 15.658 -0.101 -5.032 1.00 0.00 C ATOM 3 C THR A -5 14.906 -1.421 -5.211 1.00 0.00 C ATOM 4 O THR A -5 13.697 -1.477 -5.103 1.00 0.00 O ATOM 5 CB THR A -5 14.845 0.833 -4.134 1.00 0.00 C ATOM 6 OG1 THR A -5 15.395 2.142 -4.192 1.00 0.00 O ATOM 7 CG2 THR A -5 14.888 0.323 -2.693 1.00 0.00 C ATOM 0 H1 THR A -5 15.831 1.575 -6.257 1.00 0.00 H new ATOM 0 H2 THR A -5 16.782 0.258 -6.749 1.00 0.00 H new ATOM 0 H3 THR A -5 15.105 0.238 -7.012 1.00 0.00 H new ATOM 0 HA THR A -5 16.627 -0.295 -4.571 1.00 0.00 H new ATOM 0 HB THR A -5 13.811 0.858 -4.477 1.00 0.00 H new ATOM 0 HG1 THR A -5 14.874 2.742 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A -5 14.308 0.989 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A -5 14.465 -0.681 -2.649 1.00 0.00 H new ATOM 0 HG23 THR A -5 15.921 0.296 -2.347 1.00 0.00 H new ATOM 17 N GLU A -4 15.611 -2.485 -5.483 1.00 0.00 N ATOM 18 CA GLU A -4 14.935 -3.799 -5.668 1.00 0.00 C ATOM 19 C GLU A -4 14.146 -4.148 -4.404 1.00 0.00 C ATOM 20 O GLU A -4 14.570 -3.867 -3.300 1.00 0.00 O ATOM 21 CB GLU A -4 15.985 -4.882 -5.928 1.00 0.00 C ATOM 22 CG GLU A -4 16.742 -4.560 -7.218 1.00 0.00 C ATOM 23 CD GLU A -4 17.740 -5.680 -7.517 1.00 0.00 C ATOM 24 OE1 GLU A -4 17.921 -6.530 -6.660 1.00 0.00 O ATOM 25 OE2 GLU A -4 18.307 -5.670 -8.596 1.00 0.00 O ATOM 0 H GLU A -4 16.626 -2.501 -5.585 1.00 0.00 H new ATOM 0 HA GLU A -4 14.255 -3.741 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A -4 16.680 -4.938 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A -4 15.505 -5.857 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A -4 16.041 -4.452 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A -4 17.265 -3.609 -7.117 1.00 0.00 H new ATOM 32 N PHE A -3 13.003 -4.758 -4.556 1.00 0.00 N ATOM 33 CA PHE A -3 12.189 -5.125 -3.363 1.00 0.00 C ATOM 34 C PHE A -3 12.357 -6.618 -3.068 1.00 0.00 C ATOM 35 O PHE A -3 12.185 -7.454 -3.933 1.00 0.00 O ATOM 36 CB PHE A -3 10.714 -4.815 -3.642 1.00 0.00 C ATOM 37 CG PHE A -3 9.828 -5.645 -2.739 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.187 -5.872 -1.403 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.640 -6.190 -3.243 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.359 -6.642 -0.577 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.815 -6.959 -2.416 1.00 0.00 C ATOM 42 CZ PHE A -3 8.175 -7.185 -1.084 1.00 0.00 C ATOM 0 H PHE A -3 12.597 -5.018 -5.455 1.00 0.00 H new ATOM 0 HA PHE A -3 12.524 -4.550 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.520 -3.755 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.481 -5.025 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.102 -5.453 -1.011 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.361 -6.016 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.635 -6.816 0.452 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.900 -7.378 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.538 -7.780 -0.446 1.00 0.00 H new ATOM 52 N LYS A -2 12.693 -6.954 -1.851 1.00 0.00 N ATOM 53 CA LYS A -2 12.876 -8.386 -1.488 1.00 0.00 C ATOM 54 C LYS A -2 11.799 -8.795 -0.481 1.00 0.00 C ATOM 55 O LYS A -2 11.545 -8.104 0.484 1.00 0.00 O ATOM 56 CB LYS A -2 14.258 -8.580 -0.861 1.00 0.00 C ATOM 57 CG LYS A -2 14.536 -10.073 -0.681 1.00 0.00 C ATOM 58 CD LYS A -2 15.891 -10.261 0.003 1.00 0.00 C ATOM 59 CE LYS A -2 16.245 -11.749 0.038 1.00 0.00 C ATOM 60 NZ LYS A -2 17.523 -11.939 0.781 1.00 0.00 N ATOM 0 H LYS A -2 12.849 -6.293 -1.090 1.00 0.00 H new ATOM 0 HA LYS A -2 12.793 -9.003 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A -2 15.022 -8.132 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.306 -8.072 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.748 -10.531 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.533 -10.574 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.661 -9.706 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.857 -9.861 1.016 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.445 -12.313 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A -2 16.341 -12.135 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.764 -12.950 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 18.283 -11.413 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.415 -11.586 1.753 1.00 0.00 H new ATOM 74 N ALA A -1 11.161 -9.913 -0.699 1.00 0.00 N ATOM 75 CA ALA A -1 10.100 -10.359 0.245 1.00 0.00 C ATOM 76 C ALA A -1 10.742 -10.891 1.526 1.00 0.00 C ATOM 77 O ALA A -1 11.166 -12.028 1.597 1.00 0.00 O ATOM 78 CB ALA A -1 9.272 -11.469 -0.405 1.00 0.00 C ATOM 0 H ALA A -1 11.329 -10.535 -1.489 1.00 0.00 H new ATOM 0 HA ALA A -1 9.455 -9.514 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.495 -11.796 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.811 -11.092 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.920 -12.312 -0.647 1.00 0.00 H new ATOM 84 N GLY A 1 10.813 -10.079 2.544 1.00 0.00 N ATOM 85 CA GLY A 1 11.422 -10.538 3.824 1.00 0.00 C ATOM 86 C GLY A 1 10.396 -11.367 4.598 1.00 0.00 C ATOM 87 O GLY A 1 10.043 -12.459 4.199 1.00 0.00 O ATOM 0 H GLY A 1 10.475 -9.117 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.313 -11.134 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.738 -9.681 4.418 1.00 0.00 H new ATOM 91 N SER A 2 9.908 -10.852 5.696 1.00 0.00 N ATOM 92 CA SER A 2 8.897 -11.605 6.492 1.00 0.00 C ATOM 93 C SER A 2 7.616 -10.776 6.594 1.00 0.00 C ATOM 94 O SER A 2 7.644 -9.614 6.948 1.00 0.00 O ATOM 95 CB SER A 2 9.446 -11.866 7.895 1.00 0.00 C ATOM 96 OG SER A 2 8.529 -12.679 8.615 1.00 0.00 O ATOM 0 H SER A 2 10.167 -9.941 6.075 1.00 0.00 H new ATOM 0 HA SER A 2 8.681 -12.555 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.416 -12.360 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.602 -10.923 8.418 1.00 0.00 H new ATOM 0 HG SER A 2 8.879 -12.849 9.514 1.00 0.00 H new ATOM 102 N ALA A 3 6.493 -11.363 6.288 1.00 0.00 N ATOM 103 CA ALA A 3 5.211 -10.610 6.369 1.00 0.00 C ATOM 104 C ALA A 3 4.890 -10.301 7.833 1.00 0.00 C ATOM 105 O ALA A 3 4.285 -9.294 8.148 1.00 0.00 O ATOM 106 CB ALA A 3 4.084 -11.452 5.767 1.00 0.00 C ATOM 0 H ALA A 3 6.408 -12.333 5.985 1.00 0.00 H new ATOM 0 HA ALA A 3 5.304 -9.677 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.146 -10.900 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.311 -11.671 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.992 -12.386 6.321 1.00 0.00 H new ATOM 112 N LYS A 4 5.283 -11.164 8.727 1.00 0.00 N ATOM 113 CA LYS A 4 4.997 -10.931 10.167 1.00 0.00 C ATOM 114 C LYS A 4 5.621 -9.610 10.597 1.00 0.00 C ATOM 115 O LYS A 4 4.990 -8.780 11.221 1.00 0.00 O ATOM 116 CB LYS A 4 5.626 -12.057 10.982 1.00 0.00 C ATOM 117 CG LYS A 4 5.140 -13.399 10.444 1.00 0.00 C ATOM 118 CD LYS A 4 5.573 -14.519 11.390 1.00 0.00 C ATOM 119 CE LYS A 4 7.101 -14.580 11.443 1.00 0.00 C ATOM 120 NZ LYS A 4 7.527 -15.920 11.938 1.00 0.00 N ATOM 0 H LYS A 4 5.792 -12.024 8.520 1.00 0.00 H new ATOM 0 HA LYS A 4 3.919 -10.902 10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.713 -12.001 10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.357 -11.955 12.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.054 -13.391 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.548 -13.572 9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.171 -14.343 12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.172 -15.473 11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.518 -14.397 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.484 -13.799 12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.565 -15.963 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.140 -16.077 12.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.173 -16.656 11.295 1.00 0.00 H new ATOM 134 N LYS A 5 6.862 -9.415 10.266 1.00 0.00 N ATOM 135 CA LYS A 5 7.547 -8.152 10.647 1.00 0.00 C ATOM 136 C LYS A 5 6.814 -6.967 10.017 1.00 0.00 C ATOM 137 O LYS A 5 6.592 -5.953 10.649 1.00 0.00 O ATOM 138 CB LYS A 5 8.989 -8.190 10.143 1.00 0.00 C ATOM 139 CG LYS A 5 9.749 -9.311 10.856 1.00 0.00 C ATOM 140 CD LYS A 5 11.219 -9.277 10.436 1.00 0.00 C ATOM 141 CE LYS A 5 11.955 -10.467 11.055 1.00 0.00 C ATOM 142 NZ LYS A 5 13.348 -10.065 11.401 1.00 0.00 N ATOM 0 H LYS A 5 7.436 -10.079 9.745 1.00 0.00 H new ATOM 0 HA LYS A 5 7.543 -8.044 11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.005 -8.354 9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.475 -7.232 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.665 -9.192 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.311 -10.278 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.299 -9.312 9.349 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.679 -8.343 10.759 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.431 -10.808 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.970 -11.303 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.848 -10.874 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.845 -9.760 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.324 -9.280 12.083 1.00 0.00 H new ATOM 156 N GLY A 6 6.432 -7.088 8.775 1.00 0.00 N ATOM 157 CA GLY A 6 5.707 -5.972 8.107 1.00 0.00 C ATOM 158 C GLY A 6 4.346 -5.774 8.775 1.00 0.00 C ATOM 159 O GLY A 6 3.856 -4.669 8.892 1.00 0.00 O ATOM 0 H GLY A 6 6.591 -7.912 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.292 -5.055 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.575 -6.193 7.048 1.00 0.00 H new ATOM 163 N ALA A 7 3.729 -6.839 9.208 1.00 0.00 N ATOM 164 CA ALA A 7 2.397 -6.713 9.863 1.00 0.00 C ATOM 165 C ALA A 7 2.523 -5.844 11.114 1.00 0.00 C ATOM 166 O ALA A 7 1.679 -5.019 11.396 1.00 0.00 O ATOM 167 CB ALA A 7 1.886 -8.101 10.255 1.00 0.00 C ATOM 0 H ALA A 7 4.090 -7.790 9.136 1.00 0.00 H new ATOM 0 HA ALA A 7 1.695 -6.251 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.911 -8.008 10.734 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.794 -8.720 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.588 -8.565 10.948 1.00 0.00 H new ATOM 173 N THR A 8 3.574 -6.017 11.865 1.00 0.00 N ATOM 174 CA THR A 8 3.750 -5.192 13.089 1.00 0.00 C ATOM 175 C THR A 8 3.897 -3.730 12.683 1.00 0.00 C ATOM 176 O THR A 8 3.263 -2.850 13.229 1.00 0.00 O ATOM 177 CB THR A 8 5.018 -5.640 13.813 1.00 0.00 C ATOM 178 OG1 THR A 8 6.152 -5.305 13.026 1.00 0.00 O ATOM 179 CG2 THR A 8 4.977 -7.151 14.030 1.00 0.00 C ATOM 0 H THR A 8 4.316 -6.693 11.684 1.00 0.00 H new ATOM 0 HA THR A 8 2.888 -5.310 13.746 1.00 0.00 H new ATOM 0 HB THR A 8 5.082 -5.138 14.779 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.095 -5.760 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.883 -7.469 14.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.106 -7.409 14.632 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.913 -7.655 13.066 1.00 0.00 H new ATOM 187 N LEU A 9 4.730 -3.475 11.720 1.00 0.00 N ATOM 188 CA LEU A 9 4.931 -2.075 11.253 1.00 0.00 C ATOM 189 C LEU A 9 3.621 -1.562 10.661 1.00 0.00 C ATOM 190 O LEU A 9 3.215 -0.440 10.887 1.00 0.00 O ATOM 191 CB LEU A 9 6.011 -2.068 10.166 1.00 0.00 C ATOM 192 CG LEU A 9 6.542 -0.646 9.935 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.987 -0.725 9.448 1.00 0.00 C ATOM 194 CD2 LEU A 9 5.694 0.064 8.874 1.00 0.00 C ATOM 0 H LEU A 9 5.285 -4.178 11.231 1.00 0.00 H new ATOM 0 HA LEU A 9 5.237 -1.439 12.084 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.831 -2.724 10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.601 -2.463 9.237 1.00 0.00 H new ATOM 0 HG LEU A 9 6.491 -0.087 10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.371 0.282 9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.597 -1.226 10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.026 -1.287 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.078 1.072 8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.741 -0.493 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.659 0.118 9.212 1.00 0.00 H new ATOM 206 N PHE A 10 2.965 -2.387 9.897 1.00 0.00 N ATOM 207 CA PHE A 10 1.679 -1.974 9.267 1.00 0.00 C ATOM 208 C PHE A 10 0.629 -1.738 10.357 1.00 0.00 C ATOM 209 O PHE A 10 0.035 -0.679 10.449 1.00 0.00 O ATOM 210 CB PHE A 10 1.206 -3.100 8.342 1.00 0.00 C ATOM 211 CG PHE A 10 0.044 -2.628 7.503 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.261 -2.714 8.001 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.274 -2.111 6.223 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.337 -2.280 7.217 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.802 -1.678 5.439 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.108 -1.762 5.936 1.00 0.00 C ATOM 0 H PHE A 10 3.265 -3.337 9.679 1.00 0.00 H new ATOM 0 HA PHE A 10 1.820 -1.055 8.699 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.025 -3.419 7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.910 -3.966 8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.438 -3.114 8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.282 -2.046 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.345 -2.345 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.625 -1.279 4.451 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.939 -1.428 5.332 1.00 0.00 H new ATOM 226 N LYS A 11 0.399 -2.721 11.187 1.00 0.00 N ATOM 227 CA LYS A 11 -0.604 -2.566 12.273 1.00 0.00 C ATOM 228 C LYS A 11 -0.184 -1.428 13.200 1.00 0.00 C ATOM 229 O LYS A 11 -1.006 -0.719 13.746 1.00 0.00 O ATOM 230 CB LYS A 11 -0.694 -3.870 13.067 1.00 0.00 C ATOM 231 CG LYS A 11 -1.279 -4.970 12.180 1.00 0.00 C ATOM 232 CD LYS A 11 -1.463 -6.247 13.004 1.00 0.00 C ATOM 233 CE LYS A 11 -1.940 -7.379 12.093 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.358 -7.708 12.411 1.00 0.00 N ATOM 0 H LYS A 11 0.866 -3.627 11.157 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.578 -2.335 11.841 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.295 -4.161 13.421 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.319 -3.729 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.236 -4.649 11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.617 -5.162 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.523 -6.522 13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.188 -6.077 13.800 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.850 -7.082 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.312 -8.259 12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.683 -8.478 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.430 -8.008 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.952 -6.868 12.259 1.00 0.00 H new ATOM 248 N THR A 12 1.090 -1.248 13.389 1.00 0.00 N ATOM 249 CA THR A 12 1.558 -0.157 14.285 1.00 0.00 C ATOM 250 C THR A 12 1.605 1.164 13.516 1.00 0.00 C ATOM 251 O THR A 12 1.764 2.218 14.099 1.00 0.00 O ATOM 252 CB THR A 12 2.956 -0.492 14.810 1.00 0.00 C ATOM 253 OG1 THR A 12 3.863 -0.571 13.719 1.00 0.00 O ATOM 254 CG2 THR A 12 2.922 -1.830 15.548 1.00 0.00 C ATOM 0 H THR A 12 1.828 -1.808 12.963 1.00 0.00 H new ATOM 0 HA THR A 12 0.867 -0.060 15.122 1.00 0.00 H new ATOM 0 HB THR A 12 3.282 0.288 15.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.104 -1.508 13.561 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.919 -2.066 15.920 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.227 -1.766 16.386 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.595 -2.614 14.865 1.00 0.00 H new ATOM 262 N ARG A 13 1.483 1.129 12.214 1.00 0.00 N ATOM 263 CA ARG A 13 1.544 2.406 11.446 1.00 0.00 C ATOM 264 C ARG A 13 0.720 2.325 10.157 1.00 0.00 C ATOM 265 O ARG A 13 1.204 2.649 9.091 1.00 0.00 O ATOM 266 CB ARG A 13 3.001 2.710 11.085 1.00 0.00 C ATOM 267 CG ARG A 13 3.798 3.003 12.358 1.00 0.00 C ATOM 268 CD ARG A 13 5.199 3.488 11.980 1.00 0.00 C ATOM 269 NE ARG A 13 6.035 3.593 13.210 1.00 0.00 N ATOM 270 CZ ARG A 13 7.334 3.499 13.128 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.904 3.314 11.969 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.064 3.591 14.207 1.00 0.00 N ATOM 0 H ARG A 13 1.346 0.285 11.657 1.00 0.00 H new ATOM 0 HA ARG A 13 1.129 3.197 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.439 1.863 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.048 3.565 10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.288 3.760 12.954 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.865 2.105 12.973 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.657 2.796 11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.139 4.457 11.484 1.00 0.00 H new ATOM 0 HE ARG A 13 5.591 3.738 14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.334 3.243 11.126 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.919 3.241 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.619 3.736 15.113 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.079 3.518 14.144 1.00 0.00 H new ATOM 286 N CYS A 14 -0.516 1.915 10.230 1.00 0.00 N ATOM 287 CA CYS A 14 -1.332 1.847 8.984 1.00 0.00 C ATOM 288 C CYS A 14 -2.816 1.692 9.328 1.00 0.00 C ATOM 289 O CYS A 14 -3.680 1.944 8.510 1.00 0.00 O ATOM 290 CB CYS A 14 -0.868 0.656 8.147 1.00 0.00 C ATOM 291 SG CYS A 14 -1.085 1.015 6.382 1.00 0.00 S ATOM 0 H CYS A 14 -0.992 1.628 11.085 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.201 2.769 8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.180 0.440 8.356 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.437 -0.233 8.418 1.00 0.00 H new ATOM 296 N LEU A 15 -3.123 1.278 10.525 1.00 0.00 N ATOM 297 CA LEU A 15 -4.554 1.103 10.910 1.00 0.00 C ATOM 298 C LEU A 15 -5.264 2.459 10.906 1.00 0.00 C ATOM 299 O LEU A 15 -6.436 2.557 10.598 1.00 0.00 O ATOM 300 CB LEU A 15 -4.628 0.503 12.313 1.00 0.00 C ATOM 301 CG LEU A 15 -3.731 -0.730 12.379 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.921 -1.434 13.723 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.091 -1.686 11.242 1.00 0.00 C ATOM 0 H LEU A 15 -2.446 1.053 11.254 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.040 0.439 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.311 1.238 13.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.656 0.233 12.552 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.690 -0.424 12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.279 -2.314 13.767 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.657 -0.752 14.531 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.962 -1.739 13.830 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.450 -2.566 11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.133 -1.990 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.947 -1.184 10.285 1.00 0.00 H new ATOM 315 N GLN A 16 -4.567 3.503 11.258 1.00 0.00 N ATOM 316 CA GLN A 16 -5.199 4.851 11.291 1.00 0.00 C ATOM 317 C GLN A 16 -5.917 5.134 9.967 1.00 0.00 C ATOM 318 O GLN A 16 -6.607 6.125 9.830 1.00 0.00 O ATOM 319 CB GLN A 16 -4.121 5.910 11.529 1.00 0.00 C ATOM 320 CG GLN A 16 -3.192 5.982 10.316 1.00 0.00 C ATOM 321 CD GLN A 16 -1.951 6.804 10.673 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.477 7.658 9.810 1.00 0.00 O flip ATOM 323 NE2 GLN A 16 -1.409 6.666 11.752 1.00 0.00 N flip ATOM 0 H GLN A 16 -3.583 3.480 11.525 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.930 4.882 12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.584 6.881 11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.548 5.665 12.424 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.900 4.978 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.712 6.436 9.472 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.780 5.998 12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.583 7.219 11.982 1.00 0.00 H new ATOM 332 N CYS A 17 -5.765 4.281 8.991 1.00 0.00 N ATOM 333 CA CYS A 17 -6.448 4.524 7.688 1.00 0.00 C ATOM 334 C CYS A 17 -6.887 3.192 7.071 1.00 0.00 C ATOM 335 O CYS A 17 -8.030 2.797 7.186 1.00 0.00 O ATOM 336 CB CYS A 17 -5.488 5.248 6.744 1.00 0.00 C ATOM 337 SG CYS A 17 -5.205 6.931 7.358 1.00 0.00 S ATOM 0 H CYS A 17 -5.202 3.432 9.038 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.332 5.141 7.850 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.544 4.707 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.904 5.280 5.737 1.00 0.00 H new ATOM 342 N HIS A 18 -5.995 2.488 6.421 1.00 0.00 N ATOM 343 CA HIS A 18 -6.391 1.184 5.813 1.00 0.00 C ATOM 344 C HIS A 18 -6.764 0.209 6.934 1.00 0.00 C ATOM 345 O HIS A 18 -5.913 -0.297 7.637 1.00 0.00 O ATOM 346 CB HIS A 18 -5.223 0.600 5.006 1.00 0.00 C ATOM 347 CG HIS A 18 -4.838 1.538 3.894 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.397 1.460 2.622 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.936 2.570 3.841 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.827 2.420 1.867 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.933 3.120 2.566 1.00 0.00 N ATOM 0 H HIS A 18 -5.020 2.757 6.286 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.240 1.339 5.147 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.368 0.431 5.661 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.505 -0.368 4.593 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.109 0.797 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.322 2.904 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.064 2.599 0.829 1.00 0.00 H new ATOM 359 N THR A 19 -8.031 -0.051 7.111 1.00 0.00 N ATOM 360 CA THR A 19 -8.456 -0.986 8.192 1.00 0.00 C ATOM 361 C THR A 19 -7.817 -2.359 7.966 1.00 0.00 C ATOM 362 O THR A 19 -7.371 -3.007 8.891 1.00 0.00 O ATOM 363 CB THR A 19 -9.980 -1.124 8.178 1.00 0.00 C ATOM 364 OG1 THR A 19 -10.342 -2.408 8.668 1.00 0.00 O ATOM 365 CG2 THR A 19 -10.496 -0.957 6.748 1.00 0.00 C ATOM 0 H THR A 19 -8.790 0.343 6.554 1.00 0.00 H new ATOM 0 HA THR A 19 -8.135 -0.592 9.156 1.00 0.00 H new ATOM 0 HB THR A 19 -10.421 -0.355 8.813 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.780 -2.314 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.582 -1.055 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.218 0.028 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.057 -1.725 6.111 1.00 0.00 H new ATOM 373 N VAL A 20 -7.767 -2.805 6.741 1.00 0.00 N ATOM 374 CA VAL A 20 -7.157 -4.134 6.455 1.00 0.00 C ATOM 375 C VAL A 20 -7.731 -5.186 7.405 1.00 0.00 C ATOM 376 O VAL A 20 -7.107 -6.188 7.689 1.00 0.00 O ATOM 377 CB VAL A 20 -5.644 -4.046 6.639 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.019 -5.427 6.434 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.069 -3.069 5.615 1.00 0.00 C ATOM 0 H VAL A 20 -8.122 -2.306 5.925 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.384 -4.422 5.428 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.419 -3.696 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.939 -5.361 6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.432 -6.125 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.240 -5.781 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.988 -3.003 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.295 -3.422 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.513 -2.084 5.762 1.00 0.00 H new ATOM 389 N GLU A 21 -8.922 -4.973 7.889 1.00 0.00 N ATOM 390 CA GLU A 21 -9.538 -5.969 8.805 1.00 0.00 C ATOM 391 C GLU A 21 -10.163 -7.074 7.950 1.00 0.00 C ATOM 392 O GLU A 21 -11.007 -7.826 8.390 1.00 0.00 O ATOM 393 CB GLU A 21 -10.618 -5.285 9.652 1.00 0.00 C ATOM 394 CG GLU A 21 -10.977 -6.164 10.856 1.00 0.00 C ATOM 395 CD GLU A 21 -12.114 -5.510 11.642 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.568 -4.457 11.225 1.00 0.00 O ATOM 397 OE2 GLU A 21 -12.511 -6.072 12.649 1.00 0.00 O ATOM 0 H GLU A 21 -9.494 -4.153 7.690 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.788 -6.392 9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.262 -4.313 9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.506 -5.104 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.277 -7.156 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.105 -6.295 11.497 1.00 0.00 H new ATOM 404 N LYS A 22 -9.746 -7.170 6.715 1.00 0.00 N ATOM 405 CA LYS A 22 -10.304 -8.210 5.816 1.00 0.00 C ATOM 406 C LYS A 22 -11.765 -7.872 5.503 1.00 0.00 C ATOM 407 O LYS A 22 -12.682 -8.556 5.915 1.00 0.00 O ATOM 408 CB LYS A 22 -10.199 -9.573 6.500 1.00 0.00 C ATOM 409 CG LYS A 22 -9.813 -10.624 5.462 1.00 0.00 C ATOM 410 CD LYS A 22 -8.295 -10.611 5.259 1.00 0.00 C ATOM 411 CE LYS A 22 -7.942 -11.416 4.009 1.00 0.00 C ATOM 412 NZ LYS A 22 -8.676 -12.713 4.029 1.00 0.00 N ATOM 0 H LYS A 22 -9.039 -6.568 6.293 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.744 -8.243 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.454 -9.538 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.150 -9.835 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.138 -11.611 5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.318 -10.420 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.940 -9.586 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.797 -11.035 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.204 -10.852 3.114 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.867 -11.595 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.205 -13.388 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.681 -13.094 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.655 -12.563 3.710 1.00 0.00 H new ATOM 426 N GLY A 23 -11.987 -6.810 4.777 1.00 0.00 N ATOM 427 CA GLY A 23 -13.383 -6.417 4.440 1.00 0.00 C ATOM 428 C GLY A 23 -13.883 -5.396 5.462 1.00 0.00 C ATOM 429 O GLY A 23 -15.067 -5.148 5.580 1.00 0.00 O ATOM 0 H GLY A 23 -11.261 -6.198 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.421 -5.993 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.030 -7.294 4.440 1.00 0.00 H new ATOM 433 N GLY A 24 -12.991 -4.801 6.207 1.00 0.00 N ATOM 434 CA GLY A 24 -13.417 -3.797 7.223 1.00 0.00 C ATOM 435 C GLY A 24 -13.949 -2.547 6.520 1.00 0.00 C ATOM 436 O GLY A 24 -13.724 -2.343 5.344 1.00 0.00 O ATOM 0 H GLY A 24 -11.986 -4.967 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.189 -4.221 7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.576 -3.535 7.865 1.00 0.00 H new ATOM 440 N PRO A 25 -14.645 -1.715 7.246 1.00 0.00 N ATOM 441 CA PRO A 25 -15.221 -0.453 6.700 1.00 0.00 C ATOM 442 C PRO A 25 -14.155 0.402 6.012 1.00 0.00 C ATOM 443 O PRO A 25 -12.977 0.270 6.279 1.00 0.00 O ATOM 444 CB PRO A 25 -15.786 0.276 7.928 1.00 0.00 C ATOM 445 CG PRO A 25 -15.282 -0.466 9.127 1.00 0.00 C ATOM 446 CD PRO A 25 -14.958 -1.884 8.666 1.00 0.00 C ATOM 0 HA PRO A 25 -15.978 -0.651 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.458 1.315 7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.876 0.286 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.396 0.019 9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.033 -0.479 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.115 -2.303 9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.802 -2.558 8.814 1.00 0.00 H new ATOM 454 N HIS A 26 -14.550 1.270 5.122 1.00 0.00 N ATOM 455 CA HIS A 26 -13.543 2.113 4.421 1.00 0.00 C ATOM 456 C HIS A 26 -13.466 3.490 5.079 1.00 0.00 C ATOM 457 O HIS A 26 -14.470 4.110 5.369 1.00 0.00 O ATOM 458 CB HIS A 26 -13.942 2.290 2.957 1.00 0.00 C ATOM 459 CG HIS A 26 -13.999 0.948 2.279 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.861 0.308 1.808 1.00 0.00 N ATOM 461 CD2 HIS A 26 -15.049 0.114 1.982 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.250 -0.856 1.256 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.571 -1.021 1.338 1.00 0.00 N ATOM 0 H HIS A 26 -15.520 1.431 4.851 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.573 1.620 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.912 2.782 2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.223 2.934 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.086 0.310 2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.576 -1.568 0.803 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.116 -1.814 0.999 1.00 0.00 H new ATOM 472 N LYS A 27 -12.276 3.974 5.298 1.00 0.00 N ATOM 473 CA LYS A 27 -12.109 5.315 5.917 1.00 0.00 C ATOM 474 C LYS A 27 -11.545 6.264 4.857 1.00 0.00 C ATOM 475 O LYS A 27 -11.941 6.225 3.709 1.00 0.00 O ATOM 476 CB LYS A 27 -11.138 5.218 7.097 1.00 0.00 C ATOM 477 CG LYS A 27 -11.722 4.286 8.161 1.00 0.00 C ATOM 478 CD LYS A 27 -10.813 4.281 9.390 1.00 0.00 C ATOM 479 CE LYS A 27 -11.328 3.257 10.403 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.227 2.884 11.336 1.00 0.00 N ATOM 0 H LYS A 27 -11.405 3.493 5.072 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.067 5.687 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.173 4.841 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.963 6.207 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.724 4.615 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.817 3.276 7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.791 4.038 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.788 5.273 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.167 3.672 10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.696 2.371 9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.577 2.188 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.439 2.472 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.896 3.732 11.839 1.00 0.00 H new ATOM 494 N VAL A 28 -10.622 7.107 5.221 1.00 0.00 N ATOM 495 CA VAL A 28 -10.041 8.037 4.216 1.00 0.00 C ATOM 496 C VAL A 28 -9.377 7.225 3.104 1.00 0.00 C ATOM 497 O VAL A 28 -9.415 7.593 1.947 1.00 0.00 O ATOM 498 CB VAL A 28 -8.999 8.935 4.889 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.271 9.757 3.824 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.696 9.878 5.871 1.00 0.00 C ATOM 0 H VAL A 28 -10.246 7.192 6.165 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.831 8.658 3.793 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.280 8.317 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.529 10.397 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.774 9.086 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.990 10.375 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.954 10.517 6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.415 10.496 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.216 9.293 6.630 1.00 0.00 H new ATOM 510 N GLY A 29 -8.765 6.120 3.449 1.00 0.00 N ATOM 511 CA GLY A 29 -8.094 5.280 2.415 1.00 0.00 C ATOM 512 C GLY A 29 -8.839 3.949 2.261 1.00 0.00 C ATOM 513 O GLY A 29 -9.575 3.535 3.134 1.00 0.00 O ATOM 0 H GLY A 29 -8.702 5.765 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.074 5.808 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.058 5.096 2.699 1.00 0.00 H new ATOM 517 N PRO A 30 -8.645 3.293 1.148 1.00 0.00 N ATOM 518 CA PRO A 30 -9.301 1.985 0.846 1.00 0.00 C ATOM 519 C PRO A 30 -8.881 0.871 1.809 1.00 0.00 C ATOM 520 O PRO A 30 -7.818 0.908 2.395 1.00 0.00 O ATOM 521 CB PRO A 30 -8.840 1.646 -0.576 1.00 0.00 C ATOM 522 CG PRO A 30 -7.638 2.493 -0.832 1.00 0.00 C ATOM 523 CD PRO A 30 -7.771 3.731 0.051 1.00 0.00 C ATOM 0 HA PRO A 30 -10.383 2.063 0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.597 0.587 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.626 1.855 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.724 1.947 -0.597 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.580 2.773 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.801 4.063 0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.206 4.567 -0.497 1.00 0.00 H new ATOM 531 N ASN A 31 -9.707 -0.128 1.960 1.00 0.00 N ATOM 532 CA ASN A 31 -9.360 -1.258 2.866 1.00 0.00 C ATOM 533 C ASN A 31 -8.002 -1.825 2.449 1.00 0.00 C ATOM 534 O ASN A 31 -7.316 -2.449 3.230 1.00 0.00 O ATOM 535 CB ASN A 31 -10.433 -2.343 2.763 1.00 0.00 C ATOM 536 CG ASN A 31 -10.334 -3.275 3.970 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.369 -3.233 4.707 1.00 0.00 O ATOM 538 ND2 ASN A 31 -11.300 -4.120 4.209 1.00 0.00 N ATOM 0 H ASN A 31 -10.610 -0.210 1.493 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.309 -0.909 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.423 -1.888 2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.304 -2.910 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.244 -4.744 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.111 -4.156 3.591 1.00 0.00 H new ATOM 545 N LEU A 32 -7.618 -1.597 1.218 1.00 0.00 N ATOM 546 CA LEU A 32 -6.307 -2.088 0.699 1.00 0.00 C ATOM 547 C LEU A 32 -6.385 -3.583 0.377 1.00 0.00 C ATOM 548 O LEU A 32 -5.384 -4.271 0.338 1.00 0.00 O ATOM 549 CB LEU A 32 -5.198 -1.810 1.731 1.00 0.00 C ATOM 550 CG LEU A 32 -3.807 -1.830 1.072 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.746 -0.852 -0.103 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.765 -1.395 2.096 1.00 0.00 C ATOM 0 H LEU A 32 -8.172 -1.079 0.536 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.069 -1.555 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.368 -0.840 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.239 -2.558 2.523 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.613 -2.841 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.753 -0.884 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.491 -1.132 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.950 0.158 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.777 -1.407 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.993 -0.387 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.779 -2.080 2.943 1.00 0.00 H new ATOM 564 N HIS A 33 -7.565 -4.082 0.118 1.00 0.00 N ATOM 565 CA HIS A 33 -7.713 -5.525 -0.234 1.00 0.00 C ATOM 566 C HIS A 33 -8.149 -5.650 -1.699 1.00 0.00 C ATOM 567 O HIS A 33 -8.263 -6.739 -2.226 1.00 0.00 O ATOM 568 CB HIS A 33 -8.775 -6.173 0.658 1.00 0.00 C ATOM 569 CG HIS A 33 -8.223 -6.381 2.041 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.976 -6.950 2.263 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.743 -6.120 3.285 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.791 -7.012 3.594 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.837 -6.520 4.259 1.00 0.00 N ATOM 0 H HIS A 33 -8.435 -3.551 0.135 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.757 -6.027 -0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.661 -5.540 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.086 -7.128 0.234 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.320 -7.264 1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.707 -5.673 3.476 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.905 -7.411 4.066 1.00 0.00 H new ATOM 582 N GLY A 34 -8.412 -4.545 -2.356 1.00 0.00 N ATOM 583 CA GLY A 34 -8.864 -4.608 -3.781 1.00 0.00 C ATOM 584 C GLY A 34 -7.846 -3.936 -4.710 1.00 0.00 C ATOM 585 O GLY A 34 -7.963 -4.008 -5.918 1.00 0.00 O ATOM 0 H GLY A 34 -8.333 -3.605 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.001 -5.648 -4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.832 -4.118 -3.881 1.00 0.00 H new ATOM 589 N ILE A 35 -6.854 -3.279 -4.175 1.00 0.00 N ATOM 590 CA ILE A 35 -5.852 -2.608 -5.059 1.00 0.00 C ATOM 591 C ILE A 35 -5.230 -3.640 -6.000 1.00 0.00 C ATOM 592 O ILE A 35 -4.877 -3.332 -7.119 1.00 0.00 O ATOM 593 CB ILE A 35 -4.760 -1.950 -4.201 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.399 -0.848 -3.347 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.668 -1.332 -5.089 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.361 0.231 -3.024 1.00 0.00 C ATOM 0 H ILE A 35 -6.692 -3.176 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.347 -1.838 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.303 -2.709 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.242 -0.406 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.793 -1.274 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.905 -0.872 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.213 -2.111 -5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.111 -0.575 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.823 1.010 -2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.532 -0.214 -2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.988 0.666 -3.951 1.00 0.00 H new ATOM 608 N PHE A 36 -5.084 -4.857 -5.563 1.00 0.00 N ATOM 609 CA PHE A 36 -4.471 -5.885 -6.447 1.00 0.00 C ATOM 610 C PHE A 36 -5.568 -6.601 -7.239 1.00 0.00 C ATOM 611 O PHE A 36 -6.537 -7.080 -6.682 1.00 0.00 O ATOM 612 CB PHE A 36 -3.710 -6.894 -5.586 1.00 0.00 C ATOM 613 CG PHE A 36 -2.630 -6.173 -4.814 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.925 -5.600 -3.569 1.00 0.00 C ATOM 615 CD2 PHE A 36 -1.337 -6.073 -5.340 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.929 -4.926 -2.854 1.00 0.00 C ATOM 617 CE2 PHE A 36 -0.339 -5.400 -4.623 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.636 -4.825 -3.380 1.00 0.00 C ATOM 0 H PHE A 36 -5.361 -5.184 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.783 -5.409 -7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.394 -7.393 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.269 -7.668 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.922 -5.679 -3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.108 -6.515 -6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.158 -4.483 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.659 -5.324 -5.028 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.133 -4.304 -2.828 1.00 0.00 H new ATOM 628 N GLY A 37 -5.422 -6.669 -8.537 1.00 0.00 N ATOM 629 CA GLY A 37 -6.450 -7.346 -9.380 1.00 0.00 C ATOM 630 C GLY A 37 -7.055 -6.337 -10.361 1.00 0.00 C ATOM 631 O GLY A 37 -7.322 -5.204 -10.013 1.00 0.00 O ATOM 0 H GLY A 37 -4.630 -6.282 -9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.999 -8.174 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.232 -7.769 -8.749 1.00 0.00 H new ATOM 635 N ARG A 38 -7.277 -6.744 -11.583 1.00 0.00 N ATOM 636 CA ARG A 38 -7.867 -5.818 -12.594 1.00 0.00 C ATOM 637 C ARG A 38 -7.146 -4.467 -12.563 1.00 0.00 C ATOM 638 O ARG A 38 -6.234 -4.251 -11.790 1.00 0.00 O ATOM 639 CB ARG A 38 -9.352 -5.603 -12.287 1.00 0.00 C ATOM 640 CG ARG A 38 -10.131 -6.909 -12.489 1.00 0.00 C ATOM 641 CD ARG A 38 -10.318 -7.185 -13.985 1.00 0.00 C ATOM 642 NE ARG A 38 -11.369 -8.226 -14.168 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.052 -9.491 -14.126 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.815 -9.850 -13.917 1.00 0.00 N ATOM 645 NH2 ARG A 38 -11.974 -10.400 -14.292 1.00 0.00 N ATOM 0 H ARG A 38 -7.074 -7.683 -11.926 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.753 -6.261 -13.583 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.472 -5.255 -11.261 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.756 -4.826 -12.936 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.596 -7.736 -12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.103 -6.841 -12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.604 -6.269 -14.502 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.378 -7.520 -14.425 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.338 -7.949 -14.326 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.093 -9.141 -13.786 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.570 -10.840 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.942 -10.121 -14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.727 -11.389 -14.259 1.00 0.00 H new ATOM 659 N HIS A 39 -7.549 -3.558 -13.411 1.00 0.00 N ATOM 660 CA HIS A 39 -6.893 -2.219 -13.450 1.00 0.00 C ATOM 661 C HIS A 39 -6.821 -1.638 -12.039 1.00 0.00 C ATOM 662 O HIS A 39 -7.188 -2.277 -11.073 1.00 0.00 O ATOM 663 CB HIS A 39 -7.705 -1.281 -14.344 1.00 0.00 C ATOM 664 CG HIS A 39 -7.882 -1.906 -15.700 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.762 -1.394 -16.643 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.304 -3.006 -16.286 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.689 -2.177 -17.735 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.816 -3.172 -17.568 1.00 0.00 N ATOM 0 H HIS A 39 -8.307 -3.686 -14.081 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.884 -2.324 -13.849 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.678 -1.084 -13.893 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.197 -0.321 -14.438 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.566 -3.643 -15.822 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.265 -2.020 -18.635 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.575 -3.901 -18.239 1.00 0.00 H new ATOM 677 N SER A 40 -6.336 -0.433 -11.909 1.00 0.00 N ATOM 678 CA SER A 40 -6.226 0.180 -10.562 1.00 0.00 C ATOM 679 C SER A 40 -7.599 0.624 -10.056 1.00 0.00 C ATOM 680 O SER A 40 -8.551 0.727 -10.804 1.00 0.00 O ATOM 681 CB SER A 40 -5.293 1.388 -10.624 1.00 0.00 C ATOM 682 OG SER A 40 -5.903 2.414 -11.396 1.00 0.00 O ATOM 0 H SER A 40 -6.012 0.151 -12.680 1.00 0.00 H new ATOM 0 HA SER A 40 -5.824 -0.564 -9.874 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.082 1.751 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.339 1.103 -11.067 1.00 0.00 H new ATOM 0 HG SER A 40 -5.425 3.258 -11.255 1.00 0.00 H new ATOM 688 N GLY A 41 -7.696 0.889 -8.781 1.00 0.00 N ATOM 689 CA GLY A 41 -8.991 1.333 -8.195 1.00 0.00 C ATOM 690 C GLY A 41 -10.079 0.298 -8.483 1.00 0.00 C ATOM 691 O GLY A 41 -10.612 0.232 -9.574 1.00 0.00 O ATOM 0 H GLY A 41 -6.926 0.816 -8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.884 1.470 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.276 2.298 -8.613 1.00 0.00 H new ATOM 695 N GLN A 42 -10.418 -0.508 -7.512 1.00 0.00 N ATOM 696 CA GLN A 42 -11.473 -1.540 -7.740 1.00 0.00 C ATOM 697 C GLN A 42 -12.203 -1.847 -6.428 1.00 0.00 C ATOM 698 O GLN A 42 -12.901 -2.836 -6.318 1.00 0.00 O ATOM 699 CB GLN A 42 -10.822 -2.830 -8.253 1.00 0.00 C ATOM 700 CG GLN A 42 -11.147 -3.043 -9.738 1.00 0.00 C ATOM 701 CD GLN A 42 -10.316 -2.090 -10.603 1.00 0.00 C ATOM 702 OE1 GLN A 42 -9.225 -1.555 -10.120 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -10.663 -1.829 -11.737 1.00 0.00 N flip ATOM 0 H GLN A 42 -10.013 -0.497 -6.576 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.184 -1.159 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.742 -2.779 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.178 -3.680 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.939 -4.075 -10.019 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.209 -2.873 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.513 -2.244 -12.118 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.104 -1.195 -12.308 1.00 0.00 H new ATOM 712 N ALA A 43 -12.050 -1.021 -5.431 1.00 0.00 N ATOM 713 CA ALA A 43 -12.741 -1.293 -4.138 1.00 0.00 C ATOM 714 C ALA A 43 -14.254 -1.151 -4.325 1.00 0.00 C ATOM 715 O ALA A 43 -14.735 -0.161 -4.840 1.00 0.00 O ATOM 716 CB ALA A 43 -12.257 -0.298 -3.081 1.00 0.00 C ATOM 0 H ALA A 43 -11.481 -0.175 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.513 -2.307 -3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.762 -0.497 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.181 -0.405 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.483 0.717 -3.407 1.00 0.00 H new ATOM 722 N GLU A 44 -15.007 -2.136 -3.913 1.00 0.00 N ATOM 723 CA GLU A 44 -16.489 -2.063 -4.069 1.00 0.00 C ATOM 724 C GLU A 44 -17.049 -0.939 -3.195 1.00 0.00 C ATOM 725 O GLU A 44 -17.989 -0.263 -3.563 1.00 0.00 O ATOM 726 CB GLU A 44 -17.108 -3.394 -3.641 1.00 0.00 C ATOM 727 CG GLU A 44 -16.611 -4.509 -4.566 1.00 0.00 C ATOM 728 CD GLU A 44 -15.258 -5.027 -4.071 1.00 0.00 C ATOM 729 OE1 GLU A 44 -14.779 -4.522 -3.070 1.00 0.00 O ATOM 730 OE2 GLU A 44 -14.722 -5.920 -4.707 1.00 0.00 O ATOM 0 H GLU A 44 -14.659 -2.989 -3.475 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.732 -1.861 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.839 -3.617 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.195 -3.331 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.335 -5.323 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.517 -4.134 -5.585 1.00 0.00 H new ATOM 737 N GLY A 45 -16.481 -0.735 -2.038 1.00 0.00 N ATOM 738 CA GLY A 45 -16.983 0.345 -1.139 1.00 0.00 C ATOM 739 C GLY A 45 -16.168 1.617 -1.366 1.00 0.00 C ATOM 740 O GLY A 45 -16.663 2.604 -1.871 1.00 0.00 O ATOM 0 H GLY A 45 -15.691 -1.269 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.038 0.536 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.905 0.032 -0.098 1.00 0.00 H new ATOM 744 N TYR A 46 -14.917 1.600 -0.996 1.00 0.00 N ATOM 745 CA TYR A 46 -14.065 2.805 -1.190 1.00 0.00 C ATOM 746 C TYR A 46 -14.019 3.177 -2.673 1.00 0.00 C ATOM 747 O TYR A 46 -14.095 2.328 -3.539 1.00 0.00 O ATOM 748 CB TYR A 46 -12.646 2.512 -0.703 1.00 0.00 C ATOM 749 CG TYR A 46 -11.767 3.698 -1.000 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.662 4.752 -0.084 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.058 3.744 -2.203 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.848 5.850 -0.375 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.242 4.837 -2.497 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.136 5.895 -1.582 1.00 0.00 C ATOM 755 OH TYR A 46 -9.335 6.979 -1.870 1.00 0.00 O ATOM 0 H TYR A 46 -14.448 0.802 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.487 3.633 -0.621 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.651 2.307 0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.256 1.622 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.209 4.716 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.142 2.930 -2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.767 6.664 0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.693 4.868 -3.427 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.888 6.836 -2.730 1.00 0.00 H new ATOM 765 N SER A 47 -13.888 4.442 -2.968 1.00 0.00 N ATOM 766 CA SER A 47 -13.825 4.883 -4.390 1.00 0.00 C ATOM 767 C SER A 47 -12.486 5.581 -4.635 1.00 0.00 C ATOM 768 O SER A 47 -11.953 6.236 -3.763 1.00 0.00 O ATOM 769 CB SER A 47 -14.969 5.857 -4.674 1.00 0.00 C ATOM 770 OG SER A 47 -16.209 5.221 -4.393 1.00 0.00 O ATOM 0 H SER A 47 -13.822 5.193 -2.281 1.00 0.00 H new ATOM 0 HA SER A 47 -13.917 4.020 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.860 6.752 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.939 6.177 -5.716 1.00 0.00 H new ATOM 0 HG SER A 47 -16.944 5.844 -4.573 1.00 0.00 H new ATOM 776 N TYR A 48 -11.938 5.448 -5.812 1.00 0.00 N ATOM 777 CA TYR A 48 -10.630 6.103 -6.104 1.00 0.00 C ATOM 778 C TYR A 48 -10.849 7.316 -7.000 1.00 0.00 C ATOM 779 O TYR A 48 -11.821 7.405 -7.723 1.00 0.00 O ATOM 780 CB TYR A 48 -9.703 5.127 -6.831 1.00 0.00 C ATOM 781 CG TYR A 48 -9.354 3.976 -5.924 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.278 2.950 -5.703 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.097 3.930 -5.308 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.945 1.880 -4.866 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.766 2.859 -4.471 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.689 1.833 -4.251 1.00 0.00 C ATOM 787 OH TYR A 48 -8.364 0.776 -3.425 1.00 0.00 O ATOM 0 H TYR A 48 -12.339 4.915 -6.584 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.179 6.409 -5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.188 4.755 -7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.795 5.641 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.247 2.984 -6.178 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.383 4.722 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.659 1.088 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.797 2.825 -3.995 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.411 -0.062 -3.932 1.00 0.00 H new ATOM 797 N THR A 49 -9.938 8.243 -6.968 1.00 0.00 N ATOM 798 CA THR A 49 -10.070 9.446 -7.825 1.00 0.00 C ATOM 799 C THR A 49 -10.022 9.013 -9.289 1.00 0.00 C ATOM 800 O THR A 49 -9.325 8.086 -9.649 1.00 0.00 O ATOM 801 CB THR A 49 -8.911 10.399 -7.534 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.949 10.786 -6.167 1.00 0.00 O ATOM 803 CG2 THR A 49 -9.022 11.636 -8.424 1.00 0.00 C ATOM 0 H THR A 49 -9.104 8.218 -6.382 1.00 0.00 H new ATOM 0 HA THR A 49 -11.014 9.952 -7.621 1.00 0.00 H new ATOM 0 HB THR A 49 -7.967 9.895 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.205 11.396 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.193 12.312 -8.212 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.987 11.335 -9.471 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.965 12.145 -8.224 1.00 0.00 H new ATOM 811 N ASP A 50 -10.763 9.668 -10.134 1.00 0.00 N ATOM 812 CA ASP A 50 -10.770 9.288 -11.572 1.00 0.00 C ATOM 813 C ASP A 50 -9.332 9.131 -12.072 1.00 0.00 C ATOM 814 O ASP A 50 -9.060 8.362 -12.971 1.00 0.00 O ATOM 815 CB ASP A 50 -11.474 10.377 -12.382 1.00 0.00 C ATOM 816 CG ASP A 50 -12.965 10.381 -12.044 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.409 9.448 -11.395 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.640 11.318 -12.440 1.00 0.00 O ATOM 0 H ASP A 50 -11.367 10.453 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.299 8.342 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.037 11.350 -12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.333 10.201 -13.448 1.00 0.00 H new ATOM 823 N ALA A 51 -8.412 9.863 -11.513 1.00 0.00 N ATOM 824 CA ALA A 51 -6.997 9.763 -11.976 1.00 0.00 C ATOM 825 C ALA A 51 -6.502 8.313 -11.882 1.00 0.00 C ATOM 826 O ALA A 51 -5.958 7.779 -12.828 1.00 0.00 O ATOM 827 CB ALA A 51 -6.117 10.666 -11.109 1.00 0.00 C ATOM 0 H ALA A 51 -8.576 10.527 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.941 10.082 -13.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.082 10.596 -11.444 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.457 11.698 -11.196 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.184 10.348 -10.068 1.00 0.00 H new ATOM 833 N ASN A 52 -6.683 7.667 -10.761 1.00 0.00 N ATOM 834 CA ASN A 52 -6.213 6.252 -10.641 1.00 0.00 C ATOM 835 C ASN A 52 -7.009 5.354 -11.594 1.00 0.00 C ATOM 836 O ASN A 52 -6.464 4.488 -12.250 1.00 0.00 O ATOM 837 CB ASN A 52 -6.402 5.759 -9.203 1.00 0.00 C ATOM 838 CG ASN A 52 -5.766 4.374 -9.056 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.854 4.033 -9.783 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.212 3.552 -8.143 1.00 0.00 N ATOM 0 H ASN A 52 -7.131 8.051 -9.929 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.156 6.210 -10.902 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.944 6.458 -8.503 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.463 5.712 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.795 2.627 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.977 3.836 -7.531 1.00 0.00 H new ATOM 847 N ILE A 53 -8.297 5.548 -11.665 1.00 0.00 N ATOM 848 CA ILE A 53 -9.140 4.699 -12.562 1.00 0.00 C ATOM 849 C ILE A 53 -8.841 5.005 -14.035 1.00 0.00 C ATOM 850 O ILE A 53 -8.602 4.114 -14.825 1.00 0.00 O ATOM 851 CB ILE A 53 -10.616 4.977 -12.279 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.919 4.662 -10.812 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.483 4.094 -13.177 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.358 5.068 -10.489 1.00 0.00 C ATOM 0 H ILE A 53 -8.806 6.259 -11.140 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.911 3.651 -12.368 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.834 6.026 -12.481 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.779 3.598 -10.621 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.225 5.197 -10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.536 4.292 -12.975 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.266 4.314 -14.222 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.266 3.045 -12.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.574 4.844 -9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.482 6.137 -10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.045 4.513 -11.128 1.00 0.00 H new ATOM 866 N LYS A 54 -8.867 6.254 -14.413 1.00 0.00 N ATOM 867 CA LYS A 54 -8.600 6.611 -15.835 1.00 0.00 C ATOM 868 C LYS A 54 -7.213 6.126 -16.251 1.00 0.00 C ATOM 869 O LYS A 54 -6.989 5.767 -17.390 1.00 0.00 O ATOM 870 CB LYS A 54 -8.684 8.128 -16.004 1.00 0.00 C ATOM 871 CG LYS A 54 -10.135 8.582 -15.829 1.00 0.00 C ATOM 872 CD LYS A 54 -10.246 10.072 -16.160 1.00 0.00 C ATOM 873 CE LYS A 54 -11.693 10.533 -15.969 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.716 11.763 -15.128 1.00 0.00 N ATOM 0 H LYS A 54 -9.062 7.044 -13.797 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.346 6.129 -16.467 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.046 8.622 -15.271 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.318 8.416 -16.990 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.789 8.004 -16.481 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.463 8.400 -14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.582 10.649 -15.516 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.929 10.251 -17.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.153 10.733 -16.937 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.278 9.745 -15.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.515 11.715 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.826 11.835 -14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.823 12.599 -15.738 1.00 0.00 H new ATOM 888 N LYS A 55 -6.277 6.114 -15.346 1.00 0.00 N ATOM 889 CA LYS A 55 -4.909 5.653 -15.708 1.00 0.00 C ATOM 890 C LYS A 55 -4.990 4.232 -16.266 1.00 0.00 C ATOM 891 O LYS A 55 -4.245 3.860 -17.151 1.00 0.00 O ATOM 892 CB LYS A 55 -4.013 5.670 -14.465 1.00 0.00 C ATOM 893 CG LYS A 55 -2.571 5.304 -14.845 1.00 0.00 C ATOM 894 CD LYS A 55 -1.851 6.534 -15.412 1.00 0.00 C ATOM 895 CE LYS A 55 -0.394 6.177 -15.713 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.117 6.401 -17.160 1.00 0.00 N ATOM 0 H LYS A 55 -6.398 6.402 -14.375 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.486 6.318 -16.461 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.036 6.658 -14.005 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.392 4.965 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.039 4.932 -13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.573 4.501 -15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.349 6.874 -16.320 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.895 7.356 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.274 6.787 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.202 5.136 -15.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.873 6.159 -17.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.746 5.801 -17.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.285 7.400 -17.395 1.00 0.00 H new ATOM 910 N ASN A 56 -5.886 3.434 -15.756 1.00 0.00 N ATOM 911 CA ASN A 56 -6.007 2.039 -16.261 1.00 0.00 C ATOM 912 C ASN A 56 -4.672 1.319 -16.076 1.00 0.00 C ATOM 913 O ASN A 56 -4.115 0.776 -17.010 1.00 0.00 O ATOM 914 CB ASN A 56 -6.375 2.058 -17.745 1.00 0.00 C ATOM 915 CG ASN A 56 -6.841 0.664 -18.172 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.595 -0.359 -17.399 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -7.434 0.505 -19.221 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.538 3.687 -15.013 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.786 1.517 -15.705 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.164 2.788 -17.926 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.515 2.364 -18.340 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.626 1.305 -19.825 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.740 -0.428 -19.498 1.00 0.00 H new ATOM 924 N VAL A 57 -4.153 1.317 -14.877 1.00 0.00 N ATOM 925 CA VAL A 57 -2.851 0.641 -14.622 1.00 0.00 C ATOM 926 C VAL A 57 -3.053 -0.480 -13.604 1.00 0.00 C ATOM 927 O VAL A 57 -3.891 -0.399 -12.731 1.00 0.00 O ATOM 928 CB VAL A 57 -1.847 1.653 -14.067 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.283 2.093 -12.670 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.466 1.003 -13.987 1.00 0.00 C ATOM 0 H VAL A 57 -4.578 1.757 -14.061 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.470 0.226 -15.555 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.806 2.522 -14.724 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.567 2.814 -12.276 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.269 2.554 -12.725 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.324 1.225 -12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.252 1.722 -13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.510 0.135 -13.329 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.154 0.688 -14.983 1.00 0.00 H new ATOM 940 N LEU A 58 -2.296 -1.534 -13.720 1.00 0.00 N ATOM 941 CA LEU A 58 -2.447 -2.670 -12.770 1.00 0.00 C ATOM 942 C LEU A 58 -1.500 -2.486 -11.583 1.00 0.00 C ATOM 943 O LEU A 58 -0.330 -2.216 -11.748 1.00 0.00 O ATOM 944 CB LEU A 58 -2.107 -3.975 -13.496 1.00 0.00 C ATOM 945 CG LEU A 58 -2.231 -5.157 -12.532 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.673 -5.264 -12.042 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.846 -6.445 -13.261 1.00 0.00 C ATOM 0 H LEU A 58 -1.578 -1.658 -14.433 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.473 -2.704 -12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.778 -4.115 -14.344 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.094 -3.925 -13.895 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.568 -5.005 -11.680 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.762 -6.106 -11.355 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.952 -4.344 -11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.336 -5.418 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.933 -7.290 -12.578 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.512 -6.595 -14.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.818 -6.369 -13.615 1.00 0.00 H new ATOM 959 N TRP A 59 -1.999 -2.651 -10.387 1.00 0.00 N ATOM 960 CA TRP A 59 -1.126 -2.508 -9.187 1.00 0.00 C ATOM 961 C TRP A 59 -0.466 -3.856 -8.895 1.00 0.00 C ATOM 962 O TRP A 59 -1.068 -4.899 -9.053 1.00 0.00 O ATOM 963 CB TRP A 59 -1.969 -2.089 -7.978 1.00 0.00 C ATOM 964 CG TRP A 59 -2.178 -0.610 -7.983 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.367 0.001 -8.151 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.197 0.447 -7.796 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.183 1.373 -8.096 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.858 1.696 -7.876 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.189 0.441 -7.574 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.166 2.897 -7.736 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.891 1.648 -7.430 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.214 2.874 -7.511 1.00 0.00 C ATOM 0 H TRP A 59 -2.974 -2.879 -10.190 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.367 -1.749 -9.376 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.932 -2.600 -8.002 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.471 -2.390 -7.056 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.312 -0.499 -8.304 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.931 2.058 -8.204 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.719 -0.498 -7.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.691 3.838 -7.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.957 1.633 -7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.759 3.800 -7.400 1.00 0.00 H new ATOM 983 N ASP A 60 0.766 -3.848 -8.471 1.00 0.00 N ATOM 984 CA ASP A 60 1.456 -5.132 -8.174 1.00 0.00 C ATOM 985 C ASP A 60 2.559 -4.894 -7.152 1.00 0.00 C ATOM 986 O ASP A 60 2.813 -3.779 -6.740 1.00 0.00 O ATOM 987 CB ASP A 60 2.070 -5.704 -9.450 1.00 0.00 C ATOM 988 CG ASP A 60 2.712 -7.060 -9.145 1.00 0.00 C ATOM 989 OD1 ASP A 60 1.995 -8.046 -9.145 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.910 -7.086 -8.916 1.00 0.00 O ATOM 0 H ASP A 60 1.324 -3.008 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 60 0.729 -5.839 -7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.303 -5.817 -10.216 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.818 -5.017 -9.846 1.00 0.00 H new ATOM 995 N GLU A 61 3.216 -5.936 -6.740 1.00 0.00 N ATOM 996 CA GLU A 61 4.307 -5.774 -5.742 1.00 0.00 C ATOM 997 C GLU A 61 5.396 -4.877 -6.330 1.00 0.00 C ATOM 998 O GLU A 61 5.970 -4.051 -5.647 1.00 0.00 O ATOM 999 CB GLU A 61 4.894 -7.144 -5.404 1.00 0.00 C ATOM 1000 CG GLU A 61 3.818 -8.006 -4.737 1.00 0.00 C ATOM 1001 CD GLU A 61 2.945 -8.662 -5.810 1.00 0.00 C ATOM 1002 OE1 GLU A 61 3.220 -8.457 -6.981 1.00 0.00 O ATOM 1003 OE2 GLU A 61 2.015 -9.361 -5.441 1.00 0.00 O ATOM 0 H GLU A 61 3.047 -6.893 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 61 3.912 -5.319 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.256 -7.631 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.750 -7.031 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.284 -8.771 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.203 -7.392 -4.079 1.00 0.00 H new ATOM 1010 N ASN A 62 5.677 -5.021 -7.596 1.00 0.00 N ATOM 1011 CA ASN A 62 6.719 -4.166 -8.227 1.00 0.00 C ATOM 1012 C ASN A 62 6.253 -2.711 -8.208 1.00 0.00 C ATOM 1013 O ASN A 62 7.002 -1.808 -7.891 1.00 0.00 O ATOM 1014 CB ASN A 62 6.938 -4.613 -9.672 1.00 0.00 C ATOM 1015 CG ASN A 62 7.501 -6.034 -9.689 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.063 -6.864 -10.460 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.463 -6.351 -8.866 1.00 0.00 N ATOM 0 H ASN A 62 5.230 -5.693 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 62 7.654 -4.259 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.997 -4.577 -10.221 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.626 -3.932 -10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.847 -7.296 -8.870 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.831 -5.654 -8.219 1.00 0.00 H new ATOM 1024 N ASN A 63 5.014 -2.481 -8.543 1.00 0.00 N ATOM 1025 CA ASN A 63 4.483 -1.089 -8.544 1.00 0.00 C ATOM 1026 C ASN A 63 4.545 -0.525 -7.125 1.00 0.00 C ATOM 1027 O ASN A 63 4.831 0.637 -6.917 1.00 0.00 O ATOM 1028 CB ASN A 63 3.027 -1.099 -9.016 1.00 0.00 C ATOM 1029 CG ASN A 63 2.952 -1.616 -10.453 1.00 0.00 C ATOM 1030 OD1 ASN A 63 1.842 -2.155 -10.882 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 3.912 -1.531 -11.193 1.00 0.00 N flip ATOM 0 H ASN A 63 4.344 -3.200 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 63 5.081 -0.472 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.427 -1.731 -8.361 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.610 -0.094 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.779 -1.110 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.851 -1.880 -12.149 1.00 0.00 H new ATOM 1038 N MET A 64 4.272 -1.345 -6.147 1.00 0.00 N ATOM 1039 CA MET A 64 4.305 -0.867 -4.737 1.00 0.00 C ATOM 1040 C MET A 64 5.713 -0.377 -4.389 1.00 0.00 C ATOM 1041 O MET A 64 5.880 0.605 -3.694 1.00 0.00 O ATOM 1042 CB MET A 64 3.929 -2.020 -3.801 1.00 0.00 C ATOM 1043 CG MET A 64 2.424 -2.310 -3.868 1.00 0.00 C ATOM 1044 SD MET A 64 1.726 -1.660 -5.405 1.00 0.00 S ATOM 1045 CE MET A 64 0.237 -0.929 -4.683 1.00 0.00 C ATOM 0 H MET A 64 4.027 -2.328 -6.265 1.00 0.00 H new ATOM 0 HA MET A 64 3.596 -0.048 -4.619 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.488 -2.914 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.210 -1.770 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.251 -3.385 -3.808 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.921 -1.858 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.634 -1.224 -5.268 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.121 -1.279 -3.657 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.326 0.157 -4.688 1.00 0.00 H new ATOM 1055 N SER A 65 6.727 -1.049 -4.861 1.00 0.00 N ATOM 1056 CA SER A 65 8.113 -0.603 -4.543 1.00 0.00 C ATOM 1057 C SER A 65 8.317 0.812 -5.080 1.00 0.00 C ATOM 1058 O SER A 65 8.855 1.672 -4.411 1.00 0.00 O ATOM 1059 CB SER A 65 9.118 -1.550 -5.198 1.00 0.00 C ATOM 1060 OG SER A 65 8.842 -2.884 -4.792 1.00 0.00 O ATOM 0 H SER A 65 6.658 -1.880 -5.448 1.00 0.00 H new ATOM 0 HA SER A 65 8.264 -0.611 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.058 -1.468 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.133 -1.274 -4.914 1.00 0.00 H new ATOM 0 HG SER A 65 9.106 -3.504 -5.504 1.00 0.00 H new ATOM 1066 N GLU A 66 7.881 1.061 -6.282 1.00 0.00 N ATOM 1067 CA GLU A 66 8.032 2.416 -6.868 1.00 0.00 C ATOM 1068 C GLU A 66 7.076 3.382 -6.167 1.00 0.00 C ATOM 1069 O GLU A 66 7.328 4.567 -6.073 1.00 0.00 O ATOM 1070 CB GLU A 66 7.692 2.362 -8.359 1.00 0.00 C ATOM 1071 CG GLU A 66 8.707 1.475 -9.084 1.00 0.00 C ATOM 1072 CD GLU A 66 10.103 2.087 -8.964 1.00 0.00 C ATOM 1073 OE1 GLU A 66 10.188 3.266 -8.664 1.00 0.00 O ATOM 1074 OE2 GLU A 66 11.065 1.367 -9.176 1.00 0.00 O ATOM 0 H GLU A 66 7.424 0.378 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 66 9.058 2.758 -6.737 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.685 1.969 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.704 3.367 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.700 0.473 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.432 1.374 -10.134 1.00 0.00 H new ATOM 1081 N TYR A 67 5.967 2.883 -5.692 1.00 0.00 N ATOM 1082 CA TYR A 67 4.977 3.768 -5.018 1.00 0.00 C ATOM 1083 C TYR A 67 5.618 4.490 -3.828 1.00 0.00 C ATOM 1084 O TYR A 67 5.436 5.677 -3.644 1.00 0.00 O ATOM 1085 CB TYR A 67 3.789 2.922 -4.544 1.00 0.00 C ATOM 1086 CG TYR A 67 2.847 3.749 -3.690 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.433 5.028 -4.099 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.381 3.222 -2.479 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.561 5.771 -3.294 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.509 3.966 -1.678 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.100 5.241 -2.083 1.00 0.00 C ATOM 1092 OH TYR A 67 0.241 5.974 -1.292 1.00 0.00 O ATOM 0 H TYR A 67 5.704 1.899 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 67 4.632 4.522 -5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.252 2.525 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.150 2.067 -3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.787 5.438 -5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.696 2.238 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.244 6.754 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.151 3.556 -0.745 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.139 5.395 -0.598 1.00 0.00 H new ATOM 1102 N LEU A 68 6.360 3.791 -3.018 1.00 0.00 N ATOM 1103 CA LEU A 68 7.000 4.444 -1.843 1.00 0.00 C ATOM 1104 C LEU A 68 8.211 5.274 -2.275 1.00 0.00 C ATOM 1105 O LEU A 68 8.497 6.311 -1.710 1.00 0.00 O ATOM 1106 CB LEU A 68 7.445 3.368 -0.857 1.00 0.00 C ATOM 1107 CG LEU A 68 6.232 2.888 -0.059 1.00 0.00 C ATOM 1108 CD1 LEU A 68 5.114 2.496 -1.023 1.00 0.00 C ATOM 1109 CD2 LEU A 68 6.613 1.676 0.796 1.00 0.00 C ATOM 0 H LEU A 68 6.552 2.794 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 68 6.277 5.110 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.898 2.533 -1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.205 3.766 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 68 5.892 3.693 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.248 2.153 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.834 3.360 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.461 1.695 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.743 1.341 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.959 0.869 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.409 1.954 1.487 1.00 0.00 H new ATOM 1121 N THR A 69 8.936 4.816 -3.252 1.00 0.00 N ATOM 1122 CA THR A 69 10.147 5.566 -3.701 1.00 0.00 C ATOM 1123 C THR A 69 9.811 7.043 -3.940 1.00 0.00 C ATOM 1124 O THR A 69 10.388 7.919 -3.327 1.00 0.00 O ATOM 1125 CB THR A 69 10.676 4.951 -4.999 1.00 0.00 C ATOM 1126 OG1 THR A 69 9.637 4.926 -5.968 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.161 3.525 -4.728 1.00 0.00 C ATOM 0 H THR A 69 8.746 3.954 -3.763 1.00 0.00 H new ATOM 0 HA THR A 69 10.906 5.500 -2.921 1.00 0.00 H new ATOM 0 HB THR A 69 11.506 5.549 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.771 4.849 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.538 3.087 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.959 3.547 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.333 2.924 -4.353 1.00 0.00 H new ATOM 1135 N ASN A 70 8.887 7.331 -4.819 1.00 0.00 N ATOM 1136 CA ASN A 70 8.533 8.758 -5.083 1.00 0.00 C ATOM 1137 C ASN A 70 7.346 8.826 -6.046 1.00 0.00 C ATOM 1138 O ASN A 70 7.515 8.815 -7.250 1.00 0.00 O ATOM 1139 CB ASN A 70 9.730 9.478 -5.713 1.00 0.00 C ATOM 1140 CG ASN A 70 9.524 10.990 -5.622 1.00 0.00 C ATOM 1141 OD1 ASN A 70 8.722 11.458 -4.838 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.218 11.779 -6.394 1.00 0.00 N ATOM 0 H ASN A 70 8.364 6.644 -5.363 1.00 0.00 H new ATOM 0 HA ASN A 70 8.269 9.239 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.649 9.194 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.841 9.178 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.088 12.789 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.891 11.386 -7.052 1.00 0.00 H new ATOM 1149 N HIS A 71 6.150 8.897 -5.529 1.00 0.00 N ATOM 1150 CA HIS A 71 4.952 8.965 -6.402 1.00 0.00 C ATOM 1151 C HIS A 71 4.154 10.224 -6.067 1.00 0.00 C ATOM 1152 O HIS A 71 4.305 10.805 -5.010 1.00 0.00 O ATOM 1153 CB HIS A 71 4.078 7.738 -6.151 1.00 0.00 C ATOM 1154 CG HIS A 71 4.535 6.594 -7.014 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.645 5.672 -7.549 1.00 0.00 N ATOM 1156 CD2 HIS A 71 5.782 6.189 -7.429 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.360 4.770 -8.247 1.00 0.00 C ATOM 1158 NE2 HIS A 71 5.664 5.042 -8.205 1.00 0.00 N ATOM 0 H HIS A 71 5.953 8.911 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 71 5.261 8.992 -7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.129 7.454 -5.100 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.036 7.973 -6.367 1.00 0.00 H new ATOM 0 HD1 HIS A 71 2.632 5.677 -7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.710 6.686 -7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.931 3.931 -8.775 1.00 0.00 H new ATOM 1167 N ALA A 72 3.305 10.645 -6.958 1.00 0.00 N ATOM 1168 CA ALA A 72 2.491 11.863 -6.703 1.00 0.00 C ATOM 1169 C ALA A 72 1.955 12.379 -8.034 1.00 0.00 C ATOM 1170 O ALA A 72 0.774 12.338 -8.300 1.00 0.00 O ATOM 1171 CB ALA A 72 3.360 12.938 -6.048 1.00 0.00 C ATOM 0 H ALA A 72 3.138 10.195 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 72 1.663 11.622 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.759 13.829 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.753 12.563 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.188 13.190 -6.711 1.00 0.00 H new ATOM 1177 N LYS A 73 2.822 12.852 -8.878 1.00 0.00 N ATOM 1178 CA LYS A 73 2.368 13.356 -10.204 1.00 0.00 C ATOM 1179 C LYS A 73 1.815 12.185 -11.021 1.00 0.00 C ATOM 1180 O LYS A 73 0.879 12.326 -11.782 1.00 0.00 O ATOM 1181 CB LYS A 73 3.549 13.984 -10.945 1.00 0.00 C ATOM 1182 CG LYS A 73 4.040 15.212 -10.175 1.00 0.00 C ATOM 1183 CD LYS A 73 5.146 15.906 -10.971 1.00 0.00 C ATOM 1184 CE LYS A 73 5.723 17.058 -10.146 1.00 0.00 C ATOM 1185 NZ LYS A 73 4.831 18.247 -10.262 1.00 0.00 N ATOM 0 H LYS A 73 3.826 12.913 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 73 1.591 14.108 -10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.356 13.258 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.249 14.270 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.213 15.901 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.415 14.914 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.932 15.193 -11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.749 16.283 -11.913 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.816 16.760 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.725 17.306 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.222 19.031 -9.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.764 18.534 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.884 18.006 -9.906 1.00 0.00 H new ATOM 1199 N TYR A 74 2.404 11.030 -10.869 1.00 0.00 N ATOM 1200 CA TYR A 74 1.944 9.833 -11.633 1.00 0.00 C ATOM 1201 C TYR A 74 0.542 9.403 -11.180 1.00 0.00 C ATOM 1202 O TYR A 74 -0.305 9.085 -11.991 1.00 0.00 O ATOM 1203 CB TYR A 74 2.938 8.693 -11.397 1.00 0.00 C ATOM 1204 CG TYR A 74 2.210 7.374 -11.383 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.357 7.030 -12.437 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.392 6.494 -10.312 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.684 5.802 -12.418 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.719 5.267 -10.292 1.00 0.00 C ATOM 1209 CZ TYR A 74 0.865 4.921 -11.346 1.00 0.00 C ATOM 1210 OH TYR A 74 0.201 3.711 -11.327 1.00 0.00 O ATOM 0 H TYR A 74 3.191 10.862 -10.243 1.00 0.00 H new ATOM 0 HA TYR A 74 1.895 10.079 -12.694 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.696 8.692 -12.180 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.458 8.842 -10.450 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.218 7.710 -13.264 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.052 6.761 -9.500 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.025 5.535 -13.231 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.858 4.588 -9.464 1.00 0.00 H new ATOM 0 HH TYR A 74 0.439 3.220 -10.513 1.00 0.00 H new ATOM 1220 N ILE A 75 0.288 9.388 -9.898 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.062 8.975 -9.403 1.00 0.00 C ATOM 1222 C ILE A 75 -1.789 10.202 -8.847 1.00 0.00 C ATOM 1223 O ILE A 75 -1.180 11.211 -8.565 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.898 7.927 -8.293 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.497 8.043 -7.682 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.076 6.514 -8.866 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.563 7.184 -6.420 1.00 0.00 C ATOM 0 H ILE A 75 0.956 9.644 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.641 8.547 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.655 8.105 -7.529 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.250 7.716 -8.399 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.717 9.083 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.957 5.780 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.071 6.420 -9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.326 6.337 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.556 7.262 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.181 7.532 -5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.361 6.144 -6.677 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.084 10.120 -8.686 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.902 11.237 -8.154 1.00 0.00 C ATOM 1241 C PRO A 76 -3.164 12.049 -7.086 1.00 0.00 C ATOM 1242 O PRO A 76 -2.321 11.540 -6.375 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.120 10.537 -7.538 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.056 9.093 -7.963 1.00 0.00 C ATOM 1245 CD PRO A 76 -3.930 8.967 -8.990 1.00 0.00 C ATOM 0 HA PRO A 76 -4.155 11.954 -8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.105 10.621 -6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.046 11.000 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.866 8.449 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.006 8.778 -8.395 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.388 8.028 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.309 9.001 -10.012 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.483 13.309 -6.966 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.811 14.157 -5.943 1.00 0.00 C ATOM 1255 C GLY A 77 -3.294 13.746 -4.552 1.00 0.00 C ATOM 1256 O GLY A 77 -3.209 14.503 -3.606 1.00 0.00 O ATOM 0 H GLY A 77 -4.182 13.788 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.729 14.044 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.034 15.209 -6.122 1.00 0.00 H new ATOM 1260 N THR A 78 -3.806 12.552 -4.427 1.00 0.00 N ATOM 1261 CA THR A 78 -4.304 12.080 -3.103 1.00 0.00 C ATOM 1262 C THR A 78 -3.356 12.540 -1.992 1.00 0.00 C ATOM 1263 O THR A 78 -3.784 12.903 -0.914 1.00 0.00 O ATOM 1264 CB THR A 78 -4.378 10.551 -3.102 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.270 10.123 -2.084 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.986 9.970 -2.842 1.00 0.00 C ATOM 0 H THR A 78 -3.901 11.880 -5.188 1.00 0.00 H new ATOM 0 HA THR A 78 -5.295 12.498 -2.926 1.00 0.00 H new ATOM 0 HB THR A 78 -4.738 10.204 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 78 -6.177 10.059 -2.449 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.040 8.881 -2.842 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.302 10.299 -3.625 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.622 10.315 -1.874 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.075 12.518 -2.237 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.110 12.947 -1.183 1.00 0.00 C ATOM 1276 C LYS A 79 -1.330 12.094 0.066 1.00 0.00 C ATOM 1277 O LYS A 79 -2.224 12.341 0.850 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.335 14.423 -0.845 1.00 0.00 C ATOM 1279 CG LYS A 79 -0.229 14.903 0.097 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.489 16.358 0.491 1.00 0.00 C ATOM 1281 CE LYS A 79 0.689 16.882 1.314 1.00 0.00 C ATOM 1282 NZ LYS A 79 0.687 16.230 2.654 1.00 0.00 N ATOM 0 H LYS A 79 -1.655 12.223 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.090 12.818 -1.544 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.336 15.020 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.310 14.556 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.197 14.274 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.742 14.815 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.623 16.969 -0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.411 16.430 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.627 16.676 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.617 17.964 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.377 16.703 3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.261 16.304 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.944 15.227 2.553 1.00 0.00 H new ATOM 1296 N MET A 80 -0.529 11.080 0.250 1.00 0.00 N ATOM 1297 CA MET A 80 -0.702 10.199 1.439 1.00 0.00 C ATOM 1298 C MET A 80 0.126 10.741 2.608 1.00 0.00 C ATOM 1299 O MET A 80 1.264 11.137 2.449 1.00 0.00 O ATOM 1300 CB MET A 80 -0.248 8.783 1.076 1.00 0.00 C ATOM 1301 CG MET A 80 -0.806 7.772 2.084 1.00 0.00 C ATOM 1302 SD MET A 80 -0.764 6.119 1.350 1.00 0.00 S ATOM 1303 CE MET A 80 0.973 5.750 1.689 1.00 0.00 C ATOM 0 H MET A 80 0.238 10.824 -0.372 1.00 0.00 H new ATOM 0 HA MET A 80 -1.750 10.177 1.738 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.588 8.531 0.071 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.841 8.734 1.066 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.217 7.791 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.828 8.037 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.331 5.002 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.565 6.660 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.072 5.365 2.704 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.451 10.777 3.778 1.00 0.00 N ATOM 1314 CA ALA A 81 0.277 11.309 4.969 1.00 0.00 C ATOM 1315 C ALA A 81 1.503 10.447 5.288 1.00 0.00 C ATOM 1316 O ALA A 81 2.502 10.939 5.774 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.667 11.308 6.173 1.00 0.00 C ATOM 0 H ALA A 81 -1.402 10.459 3.963 1.00 0.00 H new ATOM 0 HA ALA A 81 0.613 12.323 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.143 11.695 7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.530 11.938 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.002 10.290 6.372 1.00 0.00 H new ATOM 1323 N PHE A 82 1.440 9.169 5.036 1.00 0.00 N ATOM 1324 CA PHE A 82 2.610 8.296 5.348 1.00 0.00 C ATOM 1325 C PHE A 82 3.862 8.848 4.665 1.00 0.00 C ATOM 1326 O PHE A 82 4.933 8.871 5.239 1.00 0.00 O ATOM 1327 CB PHE A 82 2.342 6.878 4.843 1.00 0.00 C ATOM 1328 CG PHE A 82 3.446 5.956 5.308 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.386 5.378 6.581 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.529 5.676 4.462 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.407 4.521 7.011 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.549 4.817 4.894 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.487 4.240 6.167 1.00 0.00 C ATOM 0 H PHE A 82 0.635 8.692 4.630 1.00 0.00 H new ATOM 0 HA PHE A 82 2.764 8.276 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.380 6.525 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.285 6.874 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.552 5.593 7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.577 6.121 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.361 4.077 7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.383 4.600 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.273 3.578 6.498 1.00 0.00 H new ATOM 1343 N GLY A 83 3.742 9.291 3.444 1.00 0.00 N ATOM 1344 CA GLY A 83 4.932 9.836 2.732 1.00 0.00 C ATOM 1345 C GLY A 83 5.947 8.714 2.506 1.00 0.00 C ATOM 1346 O GLY A 83 5.656 7.725 1.862 1.00 0.00 O ATOM 0 H GLY A 83 2.873 9.299 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.632 10.268 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.384 10.638 3.316 1.00 0.00 H new ATOM 1350 N GLY A 84 7.135 8.860 3.033 1.00 0.00 N ATOM 1351 CA GLY A 84 8.173 7.803 2.852 1.00 0.00 C ATOM 1352 C GLY A 84 8.568 7.238 4.218 1.00 0.00 C ATOM 1353 O GLY A 84 8.282 7.819 5.246 1.00 0.00 O ATOM 0 H GLY A 84 7.431 9.667 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.789 7.007 2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.048 8.219 2.352 1.00 0.00 H new ATOM 1357 N LEU A 85 9.220 6.106 4.237 1.00 0.00 N ATOM 1358 CA LEU A 85 9.630 5.499 5.536 1.00 0.00 C ATOM 1359 C LEU A 85 11.135 5.688 5.742 1.00 0.00 C ATOM 1360 O LEU A 85 11.936 5.373 4.884 1.00 0.00 O ATOM 1361 CB LEU A 85 9.285 4.006 5.520 1.00 0.00 C ATOM 1362 CG LEU A 85 9.668 3.357 6.852 1.00 0.00 C ATOM 1363 CD1 LEU A 85 9.007 4.106 8.009 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.187 1.905 6.856 1.00 0.00 C ATOM 0 H LEU A 85 9.486 5.575 3.408 1.00 0.00 H new ATOM 0 HA LEU A 85 9.100 5.986 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.219 3.874 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.812 3.513 4.703 1.00 0.00 H new ATOM 0 HG LEU A 85 10.751 3.395 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.285 3.637 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.340 5.144 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.924 4.072 7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.456 1.435 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.104 1.880 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.658 1.364 6.035 1.00 0.00 H new ATOM 1376 N LYS A 86 11.524 6.210 6.875 1.00 0.00 N ATOM 1377 CA LYS A 86 12.974 6.433 7.143 1.00 0.00 C ATOM 1378 C LYS A 86 13.733 5.104 7.088 1.00 0.00 C ATOM 1379 O LYS A 86 14.858 5.042 6.633 1.00 0.00 O ATOM 1380 CB LYS A 86 13.144 7.056 8.530 1.00 0.00 C ATOM 1381 CG LYS A 86 12.497 8.442 8.551 1.00 0.00 C ATOM 1382 CD LYS A 86 12.767 9.110 9.901 1.00 0.00 C ATOM 1383 CE LYS A 86 12.020 10.444 9.969 1.00 0.00 C ATOM 1384 NZ LYS A 86 11.427 10.751 8.636 1.00 0.00 N ATOM 0 H LYS A 86 10.897 6.492 7.629 1.00 0.00 H new ATOM 0 HA LYS A 86 13.376 7.104 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.686 6.418 9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.203 7.134 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.898 9.055 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.423 8.357 8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.443 8.458 10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.837 9.273 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.236 10.396 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.702 11.240 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.052 11.721 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.159 10.664 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.656 10.082 8.437 1.00 0.00 H new ATOM 1398 N LYS A 87 13.135 4.041 7.552 1.00 0.00 N ATOM 1399 CA LYS A 87 13.839 2.726 7.527 1.00 0.00 C ATOM 1400 C LYS A 87 13.548 2.014 6.203 1.00 0.00 C ATOM 1401 O LYS A 87 12.471 1.493 5.989 1.00 0.00 O ATOM 1402 CB LYS A 87 13.347 1.864 8.691 1.00 0.00 C ATOM 1403 CG LYS A 87 13.512 2.621 10.013 1.00 0.00 C ATOM 1404 CD LYS A 87 14.998 2.848 10.305 1.00 0.00 C ATOM 1405 CE LYS A 87 15.174 3.232 11.776 1.00 0.00 C ATOM 1406 NZ LYS A 87 13.947 3.926 12.258 1.00 0.00 N ATOM 0 H LYS A 87 12.194 4.025 7.946 1.00 0.00 H new ATOM 0 HA LYS A 87 14.913 2.887 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.300 1.601 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.908 0.930 8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.993 3.578 9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.056 2.055 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.566 1.944 10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.390 3.636 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.360 2.341 12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.042 3.882 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.151 4.407 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.644 4.627 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.188 3.230 12.402 1.00 0.00 H new ATOM 1420 N GLU A 88 14.503 1.993 5.315 1.00 0.00 N ATOM 1421 CA GLU A 88 14.294 1.321 4.000 1.00 0.00 C ATOM 1422 C GLU A 88 14.205 -0.197 4.185 1.00 0.00 C ATOM 1423 O GLU A 88 13.444 -0.866 3.517 1.00 0.00 O ATOM 1424 CB GLU A 88 15.464 1.651 3.071 1.00 0.00 C ATOM 1425 CG GLU A 88 15.471 3.150 2.769 1.00 0.00 C ATOM 1426 CD GLU A 88 16.599 3.468 1.786 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.398 2.584 1.526 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.645 4.591 1.311 1.00 0.00 O ATOM 0 H GLU A 88 15.423 2.414 5.443 1.00 0.00 H new ATOM 0 HA GLU A 88 13.361 1.679 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.405 1.359 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.377 1.083 2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.512 3.451 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.607 3.717 3.690 1.00 0.00 H new ATOM 1435 N LYS A 89 14.980 -0.753 5.078 1.00 0.00 N ATOM 1436 CA LYS A 89 14.929 -2.231 5.280 1.00 0.00 C ATOM 1437 C LYS A 89 13.522 -2.637 5.715 1.00 0.00 C ATOM 1438 O LYS A 89 12.919 -3.535 5.158 1.00 0.00 O ATOM 1439 CB LYS A 89 15.936 -2.634 6.359 1.00 0.00 C ATOM 1440 CG LYS A 89 15.986 -4.160 6.465 1.00 0.00 C ATOM 1441 CD LYS A 89 16.946 -4.563 7.584 1.00 0.00 C ATOM 1442 CE LYS A 89 17.118 -6.083 7.589 1.00 0.00 C ATOM 1443 NZ LYS A 89 17.095 -6.582 8.993 1.00 0.00 N ATOM 0 H LYS A 89 15.641 -0.253 5.672 1.00 0.00 H new ATOM 0 HA LYS A 89 15.179 -2.735 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.924 -2.243 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.651 -2.201 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.990 -4.554 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.313 -4.590 5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.912 -4.078 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.560 -4.227 8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.321 -6.552 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.059 -6.355 7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.212 -7.615 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.871 -6.144 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.186 -6.335 9.434 1.00 0.00 H new ATOM 1457 N ASP A 90 12.988 -1.975 6.701 1.00 0.00 N ATOM 1458 CA ASP A 90 11.619 -2.312 7.165 1.00 0.00 C ATOM 1459 C ASP A 90 10.630 -2.023 6.037 1.00 0.00 C ATOM 1460 O ASP A 90 9.654 -2.724 5.853 1.00 0.00 O ATOM 1461 CB ASP A 90 11.276 -1.458 8.383 1.00 0.00 C ATOM 1462 CG ASP A 90 12.197 -1.830 9.546 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.843 -2.861 9.457 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.239 -1.079 10.506 1.00 0.00 O ATOM 0 H ASP A 90 13.443 -1.214 7.205 1.00 0.00 H new ATOM 0 HA ASP A 90 11.565 -3.366 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.387 -0.401 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.235 -1.612 8.667 1.00 0.00 H new ATOM 1469 N ARG A 91 10.879 -0.990 5.278 1.00 0.00 N ATOM 1470 CA ARG A 91 9.963 -0.646 4.158 1.00 0.00 C ATOM 1471 C ARG A 91 9.795 -1.862 3.249 1.00 0.00 C ATOM 1472 O ARG A 91 8.709 -2.164 2.796 1.00 0.00 O ATOM 1473 CB ARG A 91 10.568 0.509 3.355 1.00 0.00 C ATOM 1474 CG ARG A 91 9.615 0.916 2.230 1.00 0.00 C ATOM 1475 CD ARG A 91 10.299 1.958 1.342 1.00 0.00 C ATOM 1476 NE ARG A 91 10.577 3.185 2.139 1.00 0.00 N ATOM 1477 CZ ARG A 91 10.979 4.274 1.540 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.139 4.286 0.245 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.221 5.350 2.238 1.00 0.00 N ATOM 0 H ARG A 91 11.681 -0.369 5.388 1.00 0.00 H new ATOM 0 HA ARG A 91 8.991 -0.351 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.756 1.360 4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.530 0.209 2.938 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.337 0.043 1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.694 1.324 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.228 1.555 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.662 2.201 0.491 1.00 0.00 H new ATOM 0 HE ARG A 91 10.454 3.175 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.950 3.445 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.453 5.137 -0.222 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.096 5.340 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.535 6.201 1.771 1.00 0.00 H new ATOM 1493 N ASN A 92 10.860 -2.562 2.980 1.00 0.00 N ATOM 1494 CA ASN A 92 10.758 -3.757 2.104 1.00 0.00 C ATOM 1495 C ASN A 92 9.823 -4.780 2.746 1.00 0.00 C ATOM 1496 O ASN A 92 8.994 -5.378 2.090 1.00 0.00 O ATOM 1497 CB ASN A 92 12.148 -4.370 1.929 1.00 0.00 C ATOM 1498 CG ASN A 92 13.050 -3.386 1.182 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.572 -2.463 0.552 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.345 -3.545 1.225 1.00 0.00 N ATOM 0 H ASN A 92 11.796 -2.357 3.330 1.00 0.00 H new ATOM 0 HA ASN A 92 10.361 -3.468 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.578 -4.607 2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 92 12.077 -5.306 1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.955 -2.895 0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.746 -4.319 1.754 1.00 0.00 H new ATOM 1507 N ASP A 93 9.941 -4.981 4.028 1.00 0.00 N ATOM 1508 CA ASP A 93 9.055 -5.959 4.713 1.00 0.00 C ATOM 1509 C ASP A 93 7.605 -5.487 4.615 1.00 0.00 C ATOM 1510 O ASP A 93 6.689 -6.273 4.480 1.00 0.00 O ATOM 1511 CB ASP A 93 9.463 -6.063 6.182 1.00 0.00 C ATOM 1512 CG ASP A 93 10.855 -6.688 6.284 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.321 -7.216 5.288 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.432 -6.630 7.358 1.00 0.00 O ATOM 0 H ASP A 93 10.614 -4.509 4.631 1.00 0.00 H new ATOM 0 HA ASP A 93 9.149 -6.936 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.463 -5.074 6.641 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.740 -6.669 6.729 1.00 0.00 H new ATOM 1519 N LEU A 94 7.395 -4.205 4.697 1.00 0.00 N ATOM 1520 CA LEU A 94 6.010 -3.658 4.626 1.00 0.00 C ATOM 1521 C LEU A 94 5.363 -4.035 3.295 1.00 0.00 C ATOM 1522 O LEU A 94 4.214 -4.425 3.238 1.00 0.00 O ATOM 1523 CB LEU A 94 6.083 -2.138 4.729 1.00 0.00 C ATOM 1524 CG LEU A 94 4.677 -1.556 4.873 1.00 0.00 C ATOM 1525 CD1 LEU A 94 4.045 -2.054 6.173 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.767 -0.030 4.907 1.00 0.00 C ATOM 0 H LEU A 94 8.128 -3.505 4.811 1.00 0.00 H new ATOM 0 HA LEU A 94 5.414 -4.070 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.693 -1.852 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.566 -1.728 3.842 1.00 0.00 H new ATOM 0 HG LEU A 94 4.064 -1.872 4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.043 -1.638 6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.986 -3.142 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.655 -1.738 7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.767 0.391 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.380 0.280 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.219 0.329 3.982 1.00 0.00 H new ATOM 1538 N ILE A 95 6.090 -3.911 2.224 1.00 0.00 N ATOM 1539 CA ILE A 95 5.521 -4.250 0.894 1.00 0.00 C ATOM 1540 C ILE A 95 5.049 -5.705 0.891 1.00 0.00 C ATOM 1541 O ILE A 95 3.984 -6.023 0.396 1.00 0.00 O ATOM 1542 CB ILE A 95 6.597 -4.057 -0.172 1.00 0.00 C ATOM 1543 CG1 ILE A 95 7.084 -2.605 -0.147 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.011 -4.371 -1.542 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.252 -2.441 -1.121 1.00 0.00 C ATOM 0 H ILE A 95 7.058 -3.588 2.212 1.00 0.00 H new ATOM 0 HA ILE A 95 4.672 -3.600 0.682 1.00 0.00 H new ATOM 0 HB ILE A 95 7.435 -4.725 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.271 -1.933 -0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.396 -2.332 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.777 -4.234 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.661 -5.403 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.175 -3.701 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.598 -1.408 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.067 -3.102 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.924 -2.696 -2.129 1.00 0.00 H new ATOM 1557 N THR A 96 5.831 -6.588 1.440 1.00 0.00 N ATOM 1558 CA THR A 96 5.431 -8.022 1.470 1.00 0.00 C ATOM 1559 C THR A 96 4.081 -8.162 2.180 1.00 0.00 C ATOM 1560 O THR A 96 3.238 -8.944 1.785 1.00 0.00 O ATOM 1561 CB THR A 96 6.488 -8.828 2.230 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.774 -8.543 1.697 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.196 -10.322 2.083 1.00 0.00 C ATOM 0 H THR A 96 6.732 -6.380 1.870 1.00 0.00 H new ATOM 0 HA THR A 96 5.347 -8.397 0.450 1.00 0.00 H new ATOM 0 HB THR A 96 6.462 -8.555 3.285 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.462 -8.928 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.949 -10.895 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.210 -10.542 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.221 -10.596 1.028 1.00 0.00 H new ATOM 1571 N TYR A 97 3.874 -7.418 3.232 1.00 0.00 N ATOM 1572 CA TYR A 97 2.585 -7.513 3.977 1.00 0.00 C ATOM 1573 C TYR A 97 1.410 -7.150 3.061 1.00 0.00 C ATOM 1574 O TYR A 97 0.372 -7.779 3.100 1.00 0.00 O ATOM 1575 CB TYR A 97 2.616 -6.560 5.172 1.00 0.00 C ATOM 1576 CG TYR A 97 1.338 -6.707 5.962 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.233 -7.699 6.945 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.256 -5.855 5.710 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.047 -7.837 7.676 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.930 -5.995 6.441 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.034 -6.985 7.424 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.203 -7.123 8.145 1.00 0.00 O ATOM 0 H TYR A 97 4.543 -6.747 3.609 1.00 0.00 H new ATOM 0 HA TYR A 97 2.454 -8.537 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.476 -6.780 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.728 -5.532 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.067 -8.357 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.336 -5.090 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.034 -8.601 8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.765 -5.338 6.246 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.643 -6.251 8.225 1.00 0.00 H new ATOM 1592 N LEU A 98 1.555 -6.141 2.243 1.00 0.00 N ATOM 1593 CA LEU A 98 0.432 -5.756 1.343 1.00 0.00 C ATOM 1594 C LEU A 98 0.026 -6.956 0.492 1.00 0.00 C ATOM 1595 O LEU A 98 -1.142 -7.203 0.269 1.00 0.00 O ATOM 1596 CB LEU A 98 0.876 -4.607 0.436 1.00 0.00 C ATOM 1597 CG LEU A 98 1.245 -3.388 1.285 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.656 -2.235 0.368 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.036 -2.957 2.120 1.00 0.00 C ATOM 0 H LEU A 98 2.397 -5.571 2.160 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.420 -5.434 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.732 -4.916 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.076 -4.349 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 98 2.072 -3.647 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.919 -1.366 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.516 -2.535 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.826 -1.981 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.301 -2.089 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.790 -2.699 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.265 -3.775 2.774 1.00 0.00 H new ATOM 1611 N LYS A 99 0.975 -7.715 0.026 1.00 0.00 N ATOM 1612 CA LYS A 99 0.625 -8.904 -0.794 1.00 0.00 C ATOM 1613 C LYS A 99 -0.276 -9.820 0.037 1.00 0.00 C ATOM 1614 O LYS A 99 -1.232 -10.385 -0.455 1.00 0.00 O ATOM 1615 CB LYS A 99 1.901 -9.653 -1.182 1.00 0.00 C ATOM 1616 CG LYS A 99 1.552 -10.804 -2.129 1.00 0.00 C ATOM 1617 CD LYS A 99 2.838 -11.499 -2.584 1.00 0.00 C ATOM 1618 CE LYS A 99 3.505 -12.185 -1.390 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.467 -11.244 -0.749 1.00 0.00 N ATOM 0 H LYS A 99 1.973 -7.565 0.176 1.00 0.00 H new ATOM 0 HA LYS A 99 0.106 -8.593 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.602 -8.972 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.394 -10.039 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.899 -11.517 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.006 -10.425 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.612 -12.233 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.519 -10.771 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.750 -12.498 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.024 -13.085 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.426 -11.645 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.449 -10.334 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.198 -11.096 0.245 1.00 0.00 H new ATOM 1633 N LYS A 100 0.025 -9.961 1.300 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.808 -10.829 2.179 1.00 0.00 C ATOM 1635 C LYS A 100 -2.228 -10.269 2.267 1.00 0.00 C ATOM 1636 O LYS A 100 -3.191 -11.005 2.352 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.191 -10.877 3.578 1.00 0.00 C ATOM 1638 CG LYS A 100 -0.972 -11.865 4.446 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.306 -11.979 5.818 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.454 -10.656 6.571 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.314 -10.899 8.034 1.00 0.00 N ATOM 0 H LYS A 100 0.815 -9.510 1.762 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.845 -11.835 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.855 -11.179 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.210 -9.885 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.003 -11.530 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.004 -12.842 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.763 -12.787 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.749 -12.227 5.702 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.303 -9.947 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.425 -10.210 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.005 -10.318 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.487 -11.904 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.648 -10.645 8.338 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.369 -8.970 2.263 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.729 -8.370 2.362 1.00 0.00 C ATOM 1657 C ALA A 101 -4.585 -8.836 1.185 1.00 0.00 C ATOM 1658 O ALA A 101 -5.777 -9.036 1.315 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.617 -6.844 2.341 1.00 0.00 C ATOM 0 H ALA A 101 -1.602 -8.301 2.196 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.196 -8.687 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.612 -6.405 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.012 -6.512 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.147 -6.526 1.410 1.00 0.00 H new ATOM 1665 N THR A 102 -3.991 -9.010 0.036 1.00 0.00 N ATOM 1666 CA THR A 102 -4.778 -9.462 -1.147 1.00 0.00 C ATOM 1667 C THR A 102 -4.508 -10.946 -1.403 1.00 0.00 C ATOM 1668 O THR A 102 -5.018 -11.527 -2.340 1.00 0.00 O ATOM 1669 CB THR A 102 -4.369 -8.647 -2.375 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.489 -8.503 -3.237 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.239 -9.363 -3.118 1.00 0.00 C ATOM 0 H THR A 102 -2.997 -8.859 -0.135 1.00 0.00 H new ATOM 0 HA THR A 102 -5.841 -9.315 -0.954 1.00 0.00 H new ATOM 0 HB THR A 102 -4.022 -7.663 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.724 -7.555 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.951 -8.779 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.380 -9.473 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.580 -10.348 -3.436 1.00 0.00 H new ATOM 1679 N GLU A 103 -3.707 -11.565 -0.577 1.00 0.00 N ATOM 1680 CA GLU A 103 -3.406 -13.010 -0.776 1.00 0.00 C ATOM 1681 C GLU A 103 -3.101 -13.270 -2.253 1.00 0.00 C ATOM 1682 O GLU A 103 -2.323 -12.570 -2.869 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.613 -13.847 -0.349 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.255 -15.333 -0.420 1.00 0.00 C ATOM 1685 CD GLU A 103 -5.492 -16.173 -0.092 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -6.536 -15.587 0.144 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -5.373 -17.386 -0.082 1.00 0.00 O ATOM 0 H GLU A 103 -3.249 -11.132 0.225 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.541 -13.286 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.912 -13.582 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.463 -13.636 -0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -3.887 -15.582 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.453 -15.559 0.282 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.463 4.503 1.983 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.629 4.490 -1.193 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.342 1.991 1.204 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.334 4.499 5.166 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.599 7.014 2.744 1.00 0.00 C HETATM 1700 NA HEC A 104 -2.079 3.466 0.371 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.643 3.595 -0.878 1.00 0.00 C HETATM 1702 C2A HEC A 104 -2.048 2.693 -1.828 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.187 1.923 -1.126 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.165 2.452 0.214 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.578 0.638 -1.576 1.00 0.00 C HETATM 1706 CAA HEC A 104 -2.086 2.848 -3.310 1.00 0.00 C HETATM 1707 CBA HEC A 104 -1.448 4.160 -3.772 1.00 0.00 C HETATM 1708 CGA HEC A 104 -0.128 3.874 -4.492 1.00 0.00 C HETATM 1709 O1A HEC A 104 0.497 2.876 -4.173 1.00 0.00 O HETATM 1710 O2A HEC A 104 0.236 4.661 -5.348 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.118 3.474 2.971 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.306 2.465 2.499 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.579 1.963 3.534 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.192 2.580 4.695 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.787 3.574 4.306 1.00 0.00 C HETATM 1716 CMB HEC A 104 1.896 1.286 3.293 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.375 2.063 6.100 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.660 1.258 6.328 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.857 5.543 3.589 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.289 5.421 4.834 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.834 6.379 5.761 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.839 7.005 5.111 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.791 6.541 3.749 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.183 6.846 7.015 1.00 0.00 C HETATM 1725 CAC HEC A 104 -4.964 7.734 5.753 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.674 9.221 5.962 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.811 5.526 0.996 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.608 6.549 1.457 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.446 7.082 0.413 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.242 6.300 -0.671 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.183 5.390 -0.323 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.093 8.425 0.412 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.118 6.213 -1.873 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.552 6.992 -3.061 1.00 0.00 C HETATM 1735 CGD HEC A 104 -5.594 6.113 -4.313 1.00 0.00 C HETATM 1736 O1D HEC A 104 -6.052 6.595 -5.336 1.00 0.00 O HETATM 1737 O2D HEC A 104 -5.168 4.973 -4.227 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.760 8.508 1.270 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.327 9.198 0.472 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.666 8.552 -0.507 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.015 5.996 7.676 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.228 7.314 6.777 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.828 7.570 7.512 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.739 0.387 2.697 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.561 1.964 2.759 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.346 1.014 4.248 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.366 -0.086 -1.782 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.004 0.809 -2.482 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.074 0.251 -0.793 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -6.131 7.901 -3.222 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.527 7.299 -2.853 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.799 9.335 6.602 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.482 9.693 4.999 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.534 9.696 6.434 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.666 0.388 5.671 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.525 1.884 6.109 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.704 0.929 7.366 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -2.128 4.690 -4.439 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -1.271 4.810 -2.915 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.243 5.167 -2.154 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.108 6.598 -1.627 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.566 2.010 -3.774 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -3.121 2.810 -3.651 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.287 7.823 2.991 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.977 4.497 6.196 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.342 1.182 0.949 1.00 0.00 H new HETATM 0 HHA HEC A 104 -4.003 4.486 -2.217 1.00 0.00 H new