USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 102 THR OG1 : rot -85:sc= 1.25 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.0662 X(o=1.3,f=1.2) USER MOD Set 2.1: A 67 TYR OH : rot 135:sc= 0.75 USER MOD Set 2.2: A 110 HEC O2D : rot 40:sc= 0.782 USER MOD Set 3.1: A 49 THR OG1 : rot -18:sc= 0.629 USER MOD Set 3.2: A 52 ASN : amide:sc= 2.99 K(o=3.6,f=-7.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= 0.799 (180deg=-0.879!) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0538 (180deg=-0.267) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 158:sc= 1.12 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.468 K(o=0.47,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.204 K(o=0.2,f=-2.1!) USER MOD Single : A 33 HIS : no HE2:sc= -0.143 K(o=-0.14,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 170:sc= -0.238 USER MOD Single : A 42 GLN : amide:sc= -0.0787 K(o=-0.079,f=-1.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0228 X(o=-0.023,f=-0.44) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 0.816 (180deg=0.15) USER MOD Single : A 58 THR OG1 : rot 33:sc= 0.0291 USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0.964 (180deg=-0.159!) USER MOD Single : A 63 THR OG1 : rot -140:sc= 0 USER MOD Single : A 65 MET CE :methyl 143:sc= -0.0633 (180deg=-0.331) USER MOD Single : A 70 ASN : amide:sc= 0.101 K(o=0.1,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 17:sc= 1.3 USER MOD Single : A 78 THR OG1 : rot 94:sc= 0.853 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.182) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= 0.872 (180deg=0.178) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.877) USER MOD Single : A 100 LYS NZ :NH3+ -117:sc= 1.32 (180deg=-2!) USER MOD Single : A 110 HEC O2A : rot -36:sc= 1.42 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.244 -3.400 -15.431 1.00 10.00 N ATOM 2 CA GLY A 1 -4.107 -3.722 -14.580 1.00 10.00 C ATOM 3 C GLY A 1 -3.645 -5.134 -14.914 1.00 10.00 C ATOM 4 O GLY A 1 -4.426 -6.068 -14.754 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.575 -2.437 -15.218 1.00 10.00 H new ATOM 0 H2 GLY A 1 -4.957 -3.455 -16.429 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.013 -4.078 -15.254 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.298 -3.010 -14.741 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.388 -3.653 -13.529 1.00 10.00 H new ATOM 10 N ASP A 2 -2.431 -5.286 -15.434 1.00 10.00 N ATOM 11 CA ASP A 2 -1.816 -6.584 -15.679 1.00 10.00 C ATOM 12 C ASP A 2 -1.294 -7.176 -14.363 1.00 10.00 C ATOM 13 O ASP A 2 -0.558 -6.515 -13.634 1.00 10.00 O ATOM 14 CB ASP A 2 -0.648 -6.427 -16.651 1.00 10.00 C ATOM 15 CG ASP A 2 -0.131 -7.779 -17.112 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.441 -8.485 -16.253 1.00 10.00 O ATOM 17 OD2 ASP A 2 -0.311 -8.088 -18.306 1.00 10.00 O ATOM 0 H ASP A 2 -1.839 -4.499 -15.700 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.565 -7.251 -16.106 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.966 -5.843 -17.514 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.157 -5.872 -16.170 1.00 10.00 H new ATOM 22 N VAL A 3 -1.650 -8.425 -14.059 1.00 10.00 N ATOM 23 CA VAL A 3 -1.204 -9.112 -12.852 1.00 10.00 C ATOM 24 C VAL A 3 0.290 -9.458 -12.915 1.00 10.00 C ATOM 25 O VAL A 3 0.991 -9.322 -11.912 1.00 10.00 O ATOM 26 CB VAL A 3 -2.078 -10.361 -12.626 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.540 -11.249 -11.496 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.515 -9.941 -12.286 1.00 10.00 C ATOM 0 H VAL A 3 -2.260 -8.990 -14.649 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.323 -8.444 -11.999 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.057 -10.937 -13.551 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.189 -12.116 -11.374 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.532 -11.582 -11.743 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.516 -10.680 -10.566 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.126 -10.830 -12.128 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.512 -9.336 -11.379 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.928 -9.358 -13.109 1.00 10.00 H new ATOM 38 N GLU A 4 0.794 -9.924 -14.061 1.00 10.00 N ATOM 39 CA GLU A 4 2.195 -10.294 -14.181 1.00 10.00 C ATOM 40 C GLU A 4 3.042 -9.035 -14.068 1.00 10.00 C ATOM 41 O GLU A 4 3.942 -8.957 -13.231 1.00 10.00 O ATOM 42 CB GLU A 4 2.471 -11.011 -15.512 1.00 10.00 C ATOM 43 CG GLU A 4 2.464 -12.539 -15.347 1.00 10.00 C ATOM 44 CD GLU A 4 3.583 -13.066 -14.451 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.609 -12.377 -14.270 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.400 -14.153 -13.860 1.00 10.00 O ATOM 0 H GLU A 4 0.249 -10.052 -14.914 1.00 10.00 H new ATOM 0 HA GLU A 4 2.451 -10.988 -13.381 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.718 -10.721 -16.245 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.437 -10.692 -15.904 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.504 -12.846 -14.932 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.550 -13.002 -16.330 1.00 10.00 H new ATOM 53 N LYS A 5 2.745 -8.026 -14.889 1.00 10.00 N ATOM 54 CA LYS A 5 3.469 -6.776 -14.776 1.00 10.00 C ATOM 55 C LYS A 5 3.320 -6.237 -13.360 1.00 10.00 C ATOM 56 O LYS A 5 4.320 -5.907 -12.735 1.00 10.00 O ATOM 57 CB LYS A 5 3.082 -5.753 -15.828 1.00 10.00 C ATOM 58 CG LYS A 5 3.449 -6.237 -17.226 1.00 10.00 C ATOM 59 CD LYS A 5 4.204 -5.107 -17.939 1.00 10.00 C ATOM 60 CE LYS A 5 4.283 -5.394 -19.435 1.00 10.00 C ATOM 61 NZ LYS A 5 5.244 -4.506 -20.120 1.00 10.00 N ATOM 0 H LYS A 5 2.030 -8.053 -15.616 1.00 10.00 H new ATOM 0 HA LYS A 5 4.522 -6.980 -14.972 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.010 -5.561 -15.776 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.585 -4.808 -15.623 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.069 -7.132 -17.168 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.552 -6.506 -17.783 1.00 10.00 H new ATOM 0 HD2 LYS A 5 3.698 -4.157 -17.769 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.208 -5.012 -17.525 1.00 10.00 H new ATOM 0 HE2 LYS A 5 4.576 -6.433 -19.590 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.296 -5.271 -19.880 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 5.266 -4.735 -21.134 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 4.952 -3.516 -19.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.192 -4.641 -19.714 1.00 10.00 H new ATOM 75 N GLY A 6 2.097 -6.218 -12.829 1.00 10.00 N ATOM 76 CA GLY A 6 1.820 -5.835 -11.458 1.00 10.00 C ATOM 77 C GLY A 6 2.739 -6.515 -10.445 1.00 10.00 C ATOM 78 O GLY A 6 3.242 -5.864 -9.529 1.00 10.00 O ATOM 0 H GLY A 6 1.261 -6.474 -13.355 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.921 -4.754 -11.362 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.785 -6.080 -11.221 1.00 10.00 H new ATOM 82 N LYS A 7 2.968 -7.822 -10.604 1.00 10.00 N ATOM 83 CA LYS A 7 3.834 -8.594 -9.740 1.00 10.00 C ATOM 84 C LYS A 7 5.225 -7.987 -9.822 1.00 10.00 C ATOM 85 O LYS A 7 5.820 -7.623 -8.806 1.00 10.00 O ATOM 86 CB LYS A 7 3.791 -10.065 -10.168 1.00 10.00 C ATOM 87 CG LYS A 7 4.658 -10.993 -9.309 1.00 10.00 C ATOM 88 CD LYS A 7 4.507 -12.467 -9.731 1.00 10.00 C ATOM 89 CE LYS A 7 4.910 -12.703 -11.197 1.00 10.00 C ATOM 90 NZ LYS A 7 4.660 -14.080 -11.662 1.00 10.00 N ATOM 0 H LYS A 7 2.545 -8.372 -11.352 1.00 10.00 H new ATOM 0 HA LYS A 7 3.511 -8.564 -8.699 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.759 -10.413 -10.131 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.116 -10.140 -11.206 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.703 -10.696 -9.393 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.379 -10.884 -8.261 1.00 10.00 H new ATOM 0 HD2 LYS A 7 5.122 -13.092 -9.083 1.00 10.00 H new ATOM 0 HD3 LYS A 7 3.473 -12.779 -9.587 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.361 -12.008 -11.833 1.00 10.00 H new ATOM 0 HE3 LYS A 7 5.969 -12.475 -11.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 5.480 -14.417 -12.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.510 -14.702 -10.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 3.814 -14.094 -12.266 1.00 10.00 H new ATOM 104 N LYS A 8 5.751 -7.866 -11.045 1.00 10.00 N ATOM 105 CA LYS A 8 7.106 -7.377 -11.202 1.00 10.00 C ATOM 106 C LYS A 8 7.234 -5.940 -10.693 1.00 10.00 C ATOM 107 O LYS A 8 8.250 -5.589 -10.100 1.00 10.00 O ATOM 108 CB LYS A 8 7.627 -7.511 -12.639 1.00 10.00 C ATOM 109 CG LYS A 8 7.299 -8.834 -13.345 1.00 10.00 C ATOM 110 CD LYS A 8 7.420 -10.129 -12.524 1.00 10.00 C ATOM 111 CE LYS A 8 8.862 -10.628 -12.329 1.00 10.00 C ATOM 112 NZ LYS A 8 9.613 -9.835 -11.334 1.00 10.00 N ATOM 0 H LYS A 8 5.267 -8.095 -11.913 1.00 10.00 H new ATOM 0 HA LYS A 8 7.741 -8.015 -10.587 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.218 -6.693 -13.232 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.710 -7.386 -12.627 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.278 -8.769 -13.722 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.954 -8.923 -14.212 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.969 -9.967 -11.545 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.842 -10.911 -13.015 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.841 -11.671 -12.014 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.386 -10.594 -13.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.488 -10.336 -11.080 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.851 -8.907 -11.738 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 9.030 -9.703 -10.483 1.00 10.00 H new ATOM 126 N ILE A 9 6.212 -5.116 -10.918 1.00 10.00 N ATOM 127 CA ILE A 9 6.154 -3.745 -10.466 1.00 10.00 C ATOM 128 C ILE A 9 6.222 -3.725 -8.944 1.00 10.00 C ATOM 129 O ILE A 9 7.148 -3.130 -8.406 1.00 10.00 O ATOM 130 CB ILE A 9 4.902 -3.062 -11.042 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.071 -2.841 -12.558 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.615 -1.715 -10.373 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.757 -2.424 -13.221 1.00 10.00 C ATOM 0 H ILE A 9 5.381 -5.402 -11.436 1.00 10.00 H new ATOM 0 HA ILE A 9 7.006 -3.171 -10.830 1.00 10.00 H new ATOM 0 HB ILE A 9 4.059 -3.725 -10.845 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.825 -2.074 -12.732 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.437 -3.758 -13.020 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.722 -1.273 -10.814 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.456 -1.866 -9.305 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.463 -1.046 -10.523 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.919 -2.278 -14.289 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.010 -3.203 -13.070 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.405 -1.493 -12.777 1.00 10.00 H new ATOM 145 N PHE A 10 5.276 -4.366 -8.252 1.00 10.00 N ATOM 146 CA PHE A 10 5.274 -4.427 -6.795 1.00 10.00 C ATOM 147 C PHE A 10 6.675 -4.752 -6.273 1.00 10.00 C ATOM 148 O PHE A 10 7.220 -4.052 -5.420 1.00 10.00 O ATOM 149 CB PHE A 10 4.254 -5.468 -6.320 1.00 10.00 C ATOM 150 CG PHE A 10 4.349 -5.754 -4.834 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.783 -4.859 -3.907 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.200 -6.782 -4.381 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.052 -5.002 -2.536 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.512 -6.889 -3.017 1.00 10.00 C ATOM 155 CZ PHE A 10 4.922 -6.013 -2.094 1.00 10.00 C ATOM 0 H PHE A 10 4.494 -4.855 -8.688 1.00 10.00 H new ATOM 0 HA PHE A 10 4.986 -3.454 -6.397 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.249 -5.117 -6.553 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.404 -6.395 -6.873 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.141 -4.061 -4.250 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.613 -7.489 -5.085 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.591 -4.336 -1.822 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.205 -7.645 -2.678 1.00 10.00 H new ATOM 0 HZ PHE A 10 5.137 -6.116 -1.041 1.00 10.00 H new ATOM 165 N VAL A 11 7.287 -5.798 -6.831 1.00 10.00 N ATOM 166 CA VAL A 11 8.627 -6.184 -6.446 1.00 10.00 C ATOM 167 C VAL A 11 9.587 -5.009 -6.675 1.00 10.00 C ATOM 168 O VAL A 11 10.173 -4.477 -5.738 1.00 10.00 O ATOM 169 CB VAL A 11 9.041 -7.458 -7.203 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.508 -7.841 -6.966 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.163 -8.634 -6.759 1.00 10.00 C ATOM 0 H VAL A 11 6.868 -6.387 -7.550 1.00 10.00 H new ATOM 0 HA VAL A 11 8.664 -6.424 -5.383 1.00 10.00 H new ATOM 0 HB VAL A 11 8.911 -7.244 -8.264 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.742 -8.747 -7.525 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.155 -7.030 -7.301 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.671 -8.018 -5.903 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.460 -9.534 -7.298 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.285 -8.795 -5.688 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.118 -8.410 -6.975 1.00 10.00 H new ATOM 181 N GLN A 12 9.742 -4.587 -7.928 1.00 10.00 N ATOM 182 CA GLN A 12 10.741 -3.610 -8.331 1.00 10.00 C ATOM 183 C GLN A 12 10.553 -2.264 -7.627 1.00 10.00 C ATOM 184 O GLN A 12 11.508 -1.502 -7.510 1.00 10.00 O ATOM 185 CB GLN A 12 10.687 -3.460 -9.855 1.00 10.00 C ATOM 186 CG GLN A 12 11.157 -4.740 -10.562 1.00 10.00 C ATOM 187 CD GLN A 12 12.673 -4.785 -10.714 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.208 -4.296 -11.702 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.376 -5.374 -9.752 1.00 10.00 N ATOM 0 H GLN A 12 9.166 -4.922 -8.701 1.00 10.00 H new ATOM 0 HA GLN A 12 11.726 -3.966 -8.031 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.668 -3.226 -10.163 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.313 -2.622 -10.162 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.823 -5.610 -9.996 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.692 -4.802 -11.546 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.899 -5.771 -8.942 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.392 -5.429 -9.823 1.00 10.00 H new ATOM 198 N LYS A 13 9.324 -1.944 -7.218 1.00 10.00 N ATOM 199 CA LYS A 13 8.982 -0.661 -6.625 1.00 10.00 C ATOM 200 C LYS A 13 9.005 -0.712 -5.091 1.00 10.00 C ATOM 201 O LYS A 13 9.331 0.298 -4.468 1.00 10.00 O ATOM 202 CB LYS A 13 7.609 -0.207 -7.136 1.00 10.00 C ATOM 203 CG LYS A 13 7.573 0.373 -8.562 1.00 10.00 C ATOM 204 CD LYS A 13 8.456 -0.334 -9.597 1.00 10.00 C ATOM 205 CE LYS A 13 8.220 0.218 -11.008 1.00 10.00 C ATOM 206 NZ LYS A 13 8.866 -0.634 -12.029 1.00 10.00 N ATOM 0 H LYS A 13 8.531 -2.581 -7.293 1.00 10.00 H new ATOM 0 HA LYS A 13 9.737 0.064 -6.928 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.929 -1.058 -7.095 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.220 0.545 -6.450 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.542 0.350 -8.916 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.871 1.421 -8.515 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.505 -0.210 -9.327 1.00 10.00 H new ATOM 0 HD3 LYS A 13 8.248 -1.404 -9.584 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.149 0.277 -11.204 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.613 1.232 -11.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.690 -0.237 -12.974 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.890 -0.670 -11.854 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.472 -1.595 -11.979 1.00 10.00 H new ATOM 220 N CYS A 14 8.615 -1.840 -4.480 1.00 10.00 N ATOM 221 CA CYS A 14 8.264 -1.900 -3.059 1.00 10.00 C ATOM 222 C CYS A 14 9.025 -3.015 -2.305 1.00 10.00 C ATOM 223 O CYS A 14 9.335 -2.844 -1.127 1.00 10.00 O ATOM 224 CB CYS A 14 6.758 -2.050 -2.897 1.00 10.00 C ATOM 225 SG CYS A 14 5.736 -1.297 -4.229 1.00 10.00 S ATOM 0 H CYS A 14 8.535 -2.736 -4.960 1.00 10.00 H new ATOM 0 HA CYS A 14 8.575 -0.959 -2.605 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.521 -3.112 -2.838 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.467 -1.606 -1.945 1.00 10.00 H new ATOM 230 N ALA A 15 9.302 -4.152 -2.966 1.00 10.00 N ATOM 231 CA ALA A 15 9.850 -5.408 -2.429 1.00 10.00 C ATOM 232 C ALA A 15 10.506 -5.365 -1.052 1.00 10.00 C ATOM 233 O ALA A 15 9.924 -5.853 -0.090 1.00 10.00 O ATOM 234 CB ALA A 15 10.838 -6.042 -3.413 1.00 10.00 C ATOM 0 H ALA A 15 9.135 -4.221 -3.970 1.00 10.00 H new ATOM 0 HA ALA A 15 8.950 -6.007 -2.295 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.228 -6.968 -2.991 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.329 -6.257 -4.352 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.662 -5.352 -3.597 1.00 10.00 H new ATOM 240 N GLN A 16 11.748 -4.886 -0.922 1.00 10.00 N ATOM 241 CA GLN A 16 12.437 -4.918 0.360 1.00 10.00 C ATOM 242 C GLN A 16 11.953 -3.775 1.259 1.00 10.00 C ATOM 243 O GLN A 16 12.732 -2.958 1.742 1.00 10.00 O ATOM 244 CB GLN A 16 13.954 -4.973 0.150 1.00 10.00 C ATOM 245 CG GLN A 16 14.399 -6.366 -0.331 1.00 10.00 C ATOM 246 CD GLN A 16 15.767 -6.740 0.232 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.854 -7.298 1.321 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.841 -6.443 -0.493 1.00 10.00 N ATOM 0 H GLN A 16 12.287 -4.476 -1.685 1.00 10.00 H new ATOM 0 HA GLN A 16 12.186 -5.832 0.898 1.00 10.00 H new ATOM 0 HB2 GLN A 16 14.250 -4.221 -0.581 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.462 -4.728 1.083 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.663 -7.110 -0.026 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.436 -6.382 -1.420 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.735 -5.979 -1.395 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.771 -6.680 -0.147 1.00 10.00 H new ATOM 257 N CYS A 17 10.646 -3.787 1.515 1.00 10.00 N ATOM 258 CA CYS A 17 9.939 -3.030 2.526 1.00 10.00 C ATOM 259 C CYS A 17 8.587 -3.696 2.784 1.00 10.00 C ATOM 260 O CYS A 17 8.217 -3.847 3.948 1.00 10.00 O ATOM 261 CB CYS A 17 9.784 -1.580 2.147 1.00 10.00 C ATOM 262 SG CYS A 17 9.246 -0.711 3.648 1.00 10.00 S ATOM 0 H CYS A 17 10.012 -4.375 0.974 1.00 10.00 H new ATOM 0 HA CYS A 17 10.525 -3.034 3.445 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.725 -1.172 1.779 1.00 10.00 H new ATOM 0 HB3 CYS A 17 9.052 -1.464 1.348 1.00 10.00 H new ATOM 267 N HIS A 18 7.870 -4.110 1.725 1.00 10.00 N ATOM 268 CA HIS A 18 6.597 -4.809 1.845 1.00 10.00 C ATOM 269 C HIS A 18 6.685 -6.214 1.296 1.00 10.00 C ATOM 270 O HIS A 18 7.333 -6.460 0.284 1.00 10.00 O ATOM 271 CB HIS A 18 5.526 -4.127 1.007 1.00 10.00 C ATOM 272 CG HIS A 18 4.907 -2.956 1.680 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.966 -2.998 2.681 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.986 -1.684 1.212 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.472 -1.751 2.784 1.00 10.00 C ATOM 276 NE2 HIS A 18 4.076 -0.915 1.925 1.00 10.00 N ATOM 0 H HIS A 18 8.167 -3.964 0.760 1.00 10.00 H new ATOM 0 HA HIS A 18 6.354 -4.807 2.908 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.965 -3.804 0.063 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.748 -4.851 0.766 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.696 -3.811 3.234 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.639 -1.333 0.427 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.690 -1.460 3.470 1.00 10.00 H new ATOM 284 N THR A 19 5.873 -7.085 1.875 1.00 10.00 N ATOM 285 CA THR A 19 5.614 -8.402 1.349 1.00 10.00 C ATOM 286 C THR A 19 4.106 -8.515 1.137 1.00 10.00 C ATOM 287 O THR A 19 3.360 -7.796 1.800 1.00 10.00 O ATOM 288 CB THR A 19 6.149 -9.406 2.365 1.00 10.00 C ATOM 289 OG1 THR A 19 7.470 -9.076 2.748 1.00 10.00 O ATOM 290 CG2 THR A 19 6.151 -10.779 1.722 1.00 10.00 C ATOM 0 H THR A 19 5.370 -6.886 2.739 1.00 10.00 H new ATOM 0 HA THR A 19 6.103 -8.596 0.394 1.00 10.00 H new ATOM 0 HB THR A 19 5.516 -9.391 3.252 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.670 -9.482 3.617 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.531 -11.513 2.433 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.135 -11.046 1.432 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.789 -10.766 0.838 1.00 10.00 H new ATOM 298 N VAL A 20 3.663 -9.359 0.201 1.00 10.00 N ATOM 299 CA VAL A 20 2.249 -9.581 -0.084 1.00 10.00 C ATOM 300 C VAL A 20 1.976 -11.082 -0.163 1.00 10.00 C ATOM 301 O VAL A 20 1.450 -11.577 -1.157 1.00 10.00 O ATOM 302 CB VAL A 20 1.804 -8.812 -1.346 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.853 -7.300 -1.122 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.643 -9.093 -2.590 1.00 10.00 C ATOM 0 H VAL A 20 4.287 -9.913 -0.386 1.00 10.00 H new ATOM 0 HA VAL A 20 1.644 -9.180 0.729 1.00 10.00 H new ATOM 0 HB VAL A 20 0.789 -9.169 -1.520 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.534 -6.787 -2.029 1.00 10.00 H new ATOM 0 HG12 VAL A 20 1.188 -7.032 -0.301 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.872 -7.001 -0.876 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.259 -8.510 -3.427 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.680 -8.815 -2.400 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.590 -10.154 -2.832 1.00 10.00 H new ATOM 314 N GLU A 21 2.348 -11.802 0.897 1.00 10.00 N ATOM 315 CA GLU A 21 2.172 -13.241 0.994 1.00 10.00 C ATOM 316 C GLU A 21 2.162 -13.667 2.466 1.00 10.00 C ATOM 317 O GLU A 21 2.719 -12.991 3.338 1.00 10.00 O ATOM 318 CB GLU A 21 3.219 -13.988 0.144 1.00 10.00 C ATOM 319 CG GLU A 21 4.644 -13.439 0.292 1.00 10.00 C ATOM 320 CD GLU A 21 5.654 -14.218 -0.541 1.00 10.00 C ATOM 321 OE1 GLU A 21 5.659 -15.461 -0.415 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.405 -13.549 -1.283 1.00 10.00 O ATOM 0 H GLU A 21 2.786 -11.390 1.721 1.00 10.00 H new ATOM 0 HA GLU A 21 1.204 -13.519 0.576 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.215 -15.042 0.423 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.927 -13.935 -0.905 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.660 -12.391 -0.008 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.937 -13.475 1.341 1.00 10.00 H new ATOM 329 N LYS A 22 1.470 -14.767 2.765 1.00 10.00 N ATOM 330 CA LYS A 22 1.404 -15.299 4.117 1.00 10.00 C ATOM 331 C LYS A 22 2.804 -15.617 4.655 1.00 10.00 C ATOM 332 O LYS A 22 3.611 -16.248 3.977 1.00 10.00 O ATOM 333 CB LYS A 22 0.450 -16.503 4.187 1.00 10.00 C ATOM 334 CG LYS A 22 0.694 -17.654 3.200 1.00 10.00 C ATOM 335 CD LYS A 22 1.515 -18.806 3.791 1.00 10.00 C ATOM 336 CE LYS A 22 1.304 -20.051 2.915 1.00 10.00 C ATOM 337 NZ LYS A 22 2.462 -20.965 2.955 1.00 10.00 N ATOM 0 H LYS A 22 0.944 -15.308 2.078 1.00 10.00 H new ATOM 0 HA LYS A 22 0.989 -14.532 4.771 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.494 -16.910 5.197 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.566 -16.138 4.035 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.267 -18.041 2.861 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.209 -17.265 2.322 1.00 10.00 H new ATOM 0 HD2 LYS A 22 2.572 -18.540 3.825 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.204 -19.006 4.816 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.413 -20.582 3.250 1.00 10.00 H new ATOM 0 HE3 LYS A 22 1.123 -19.742 1.886 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 2.274 -21.790 2.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 3.308 -20.468 2.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 2.620 -21.282 3.933 1.00 10.00 H new ATOM 351 N GLY A 23 3.098 -15.163 5.878 1.00 10.00 N ATOM 352 CA GLY A 23 4.408 -15.320 6.498 1.00 10.00 C ATOM 353 C GLY A 23 5.412 -14.271 6.026 1.00 10.00 C ATOM 354 O GLY A 23 6.592 -14.367 6.359 1.00 10.00 O ATOM 0 H GLY A 23 2.424 -14.673 6.466 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.303 -15.255 7.581 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.795 -16.314 6.274 1.00 10.00 H new ATOM 358 N GLY A 24 4.963 -13.233 5.315 1.00 10.00 N ATOM 359 CA GLY A 24 5.844 -12.270 4.675 1.00 10.00 C ATOM 360 C GLY A 24 6.667 -11.365 5.602 1.00 10.00 C ATOM 361 O GLY A 24 7.339 -10.462 5.104 1.00 10.00 O ATOM 0 H GLY A 24 3.972 -13.042 5.170 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.534 -12.816 4.032 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.240 -11.634 4.028 1.00 10.00 H new ATOM 365 N LYS A 25 6.646 -11.598 6.920 1.00 10.00 N ATOM 366 CA LYS A 25 7.334 -10.794 7.926 1.00 10.00 C ATOM 367 C LYS A 25 6.804 -9.352 7.943 1.00 10.00 C ATOM 368 O LYS A 25 5.893 -8.997 7.202 1.00 10.00 O ATOM 369 CB LYS A 25 8.864 -10.869 7.739 1.00 10.00 C ATOM 370 CG LYS A 25 9.408 -12.302 7.858 1.00 10.00 C ATOM 371 CD LYS A 25 9.708 -12.662 9.321 1.00 10.00 C ATOM 372 CE LYS A 25 10.308 -14.073 9.411 1.00 10.00 C ATOM 373 NZ LYS A 25 10.649 -14.449 10.800 1.00 10.00 N ATOM 0 H LYS A 25 6.130 -12.380 7.325 1.00 10.00 H new ATOM 0 HA LYS A 25 7.118 -11.212 8.909 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.126 -10.465 6.761 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.348 -10.238 8.484 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.682 -13.005 7.449 1.00 10.00 H new ATOM 0 HG3 LYS A 25 10.316 -12.400 7.263 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.402 -11.937 9.746 1.00 10.00 H new ATOM 0 HD3 LYS A 25 8.792 -12.611 9.910 1.00 10.00 H new ATOM 0 HE2 LYS A 25 9.598 -14.794 9.005 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.204 -14.125 8.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.050 -15.408 10.811 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.346 -13.777 11.180 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 9.791 -14.426 11.387 1.00 10.00 H new ATOM 387 N HIS A 26 7.356 -8.527 8.830 1.00 10.00 N ATOM 388 CA HIS A 26 6.958 -7.141 9.018 1.00 10.00 C ATOM 389 C HIS A 26 8.217 -6.369 9.403 1.00 10.00 C ATOM 390 O HIS A 26 8.642 -6.399 10.557 1.00 10.00 O ATOM 391 CB HIS A 26 5.832 -7.052 10.063 1.00 10.00 C ATOM 392 CG HIS A 26 6.013 -7.948 11.266 1.00 10.00 C ATOM 393 ND1 HIS A 26 7.112 -7.975 12.092 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.170 -8.950 11.670 1.00 10.00 C ATOM 395 CE1 HIS A 26 6.936 -8.971 12.976 1.00 10.00 C ATOM 396 NE2 HIS A 26 5.771 -9.601 12.753 1.00 10.00 N ATOM 0 H HIS A 26 8.111 -8.815 9.452 1.00 10.00 H new ATOM 0 HA HIS A 26 6.543 -6.701 8.111 1.00 10.00 H new ATOM 0 HB2 HIS A 26 5.753 -6.020 10.405 1.00 10.00 H new ATOM 0 HB3 HIS A 26 4.887 -7.301 9.581 1.00 10.00 H new ATOM 0 HD1 HIS A 26 7.917 -7.350 12.042 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.214 -9.193 11.231 1.00 10.00 H new ATOM 0 HE1 HIS A 26 7.635 -9.229 13.758 1.00 10.00 H new ATOM 404 N LYS A 27 8.863 -5.759 8.409 1.00 10.00 N ATOM 405 CA LYS A 27 10.072 -4.976 8.605 1.00 10.00 C ATOM 406 C LYS A 27 9.635 -3.528 8.820 1.00 10.00 C ATOM 407 O LYS A 27 9.187 -3.178 9.909 1.00 10.00 O ATOM 408 CB LYS A 27 10.998 -5.182 7.396 1.00 10.00 C ATOM 409 CG LYS A 27 11.597 -6.598 7.390 1.00 10.00 C ATOM 410 CD LYS A 27 11.682 -7.133 5.953 1.00 10.00 C ATOM 411 CE LYS A 27 12.421 -8.478 5.907 1.00 10.00 C ATOM 412 NZ LYS A 27 12.537 -8.997 4.527 1.00 10.00 N ATOM 0 H LYS A 27 8.554 -5.798 7.438 1.00 10.00 H new ATOM 0 HA LYS A 27 10.648 -5.284 9.478 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.440 -5.016 6.475 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.801 -4.445 7.419 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.590 -6.582 7.839 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.983 -7.263 7.997 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.678 -7.252 5.546 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.198 -6.409 5.322 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.416 -8.360 6.335 1.00 10.00 H new ATOM 0 HE3 LYS A 27 11.892 -9.204 6.525 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 13.042 -9.906 4.539 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 11.587 -9.134 4.127 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.064 -8.316 3.943 1.00 10.00 H new ATOM 426 N THR A 28 9.716 -2.706 7.775 1.00 10.00 N ATOM 427 CA THR A 28 9.213 -1.345 7.795 1.00 10.00 C ATOM 428 C THR A 28 7.779 -1.343 7.268 1.00 10.00 C ATOM 429 O THR A 28 6.879 -0.861 7.951 1.00 10.00 O ATOM 430 CB THR A 28 10.182 -0.430 7.040 1.00 10.00 C ATOM 431 OG1 THR A 28 11.453 -0.509 7.650 1.00 10.00 O ATOM 432 CG2 THR A 28 9.709 1.023 7.053 1.00 10.00 C ATOM 0 H THR A 28 10.137 -2.974 6.886 1.00 10.00 H new ATOM 0 HA THR A 28 9.165 -0.942 8.807 1.00 10.00 H new ATOM 0 HB THR A 28 10.229 -0.761 6.002 1.00 10.00 H new ATOM 0 HG1 THR A 28 12.082 0.072 7.173 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.421 1.642 6.508 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.731 1.091 6.578 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.637 1.373 8.083 1.00 10.00 H new ATOM 440 N GLY A 29 7.536 -1.894 6.076 1.00 10.00 N ATOM 441 CA GLY A 29 6.181 -2.043 5.583 1.00 10.00 C ATOM 442 C GLY A 29 5.530 -3.244 6.268 1.00 10.00 C ATOM 443 O GLY A 29 6.209 -4.241 6.528 1.00 10.00 O ATOM 0 H GLY A 29 8.259 -2.239 5.445 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.606 -1.139 5.783 1.00 10.00 H new ATOM 0 HA3 GLY A 29 6.187 -2.184 4.502 1.00 10.00 H new ATOM 447 N PRO A 30 4.225 -3.180 6.572 1.00 10.00 N ATOM 448 CA PRO A 30 3.498 -4.355 7.003 1.00 10.00 C ATOM 449 C PRO A 30 3.453 -5.385 5.876 1.00 10.00 C ATOM 450 O PRO A 30 3.618 -5.052 4.696 1.00 10.00 O ATOM 451 CB PRO A 30 2.093 -3.874 7.380 1.00 10.00 C ATOM 452 CG PRO A 30 1.932 -2.525 6.680 1.00 10.00 C ATOM 453 CD PRO A 30 3.361 -2.015 6.492 1.00 10.00 C ATOM 0 HA PRO A 30 3.976 -4.841 7.853 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.333 -4.582 7.051 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.988 -3.773 8.460 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.421 -2.633 5.723 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.341 -1.834 7.281 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.472 -1.515 5.530 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.618 -1.287 7.261 1.00 10.00 H new ATOM 461 N ASN A 31 3.183 -6.637 6.256 1.00 10.00 N ATOM 462 CA ASN A 31 2.807 -7.668 5.308 1.00 10.00 C ATOM 463 C ASN A 31 1.466 -7.265 4.709 1.00 10.00 C ATOM 464 O ASN A 31 0.434 -7.370 5.372 1.00 10.00 O ATOM 465 CB ASN A 31 2.682 -9.028 6.002 1.00 10.00 C ATOM 466 CG ASN A 31 2.425 -10.140 4.991 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.863 -10.072 3.846 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.724 -11.188 5.408 1.00 10.00 N ATOM 0 H ASN A 31 3.221 -6.954 7.225 1.00 10.00 H new ATOM 0 HA ASN A 31 3.569 -7.763 4.534 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.595 -9.241 6.557 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.868 -8.996 6.727 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.538 -11.963 4.771 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.372 -11.218 6.365 1.00 10.00 H new ATOM 475 N LEU A 32 1.479 -6.775 3.474 1.00 10.00 N ATOM 476 CA LEU A 32 0.292 -6.370 2.749 1.00 10.00 C ATOM 477 C LEU A 32 -0.448 -7.641 2.312 1.00 10.00 C ATOM 478 O LEU A 32 -0.462 -8.019 1.147 1.00 10.00 O ATOM 479 CB LEU A 32 0.699 -5.410 1.610 1.00 10.00 C ATOM 480 CG LEU A 32 0.573 -3.900 1.891 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.753 -3.403 1.351 1.00 10.00 C ATOM 482 CD2 LEU A 32 0.682 -3.482 3.356 1.00 10.00 C ATOM 0 H LEU A 32 2.339 -6.647 2.941 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.410 -5.802 3.359 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.735 -5.620 1.344 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.091 -5.644 0.736 1.00 10.00 H new ATOM 0 HG LEU A 32 1.431 -3.450 1.391 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.848 -2.335 1.547 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -0.798 -3.580 0.276 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.568 -3.936 1.841 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.579 -2.400 3.434 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.108 -3.964 3.932 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.653 -3.783 3.749 1.00 10.00 H new ATOM 494 N HIS A 33 -1.065 -8.313 3.282 1.00 10.00 N ATOM 495 CA HIS A 33 -1.802 -9.552 3.125 1.00 10.00 C ATOM 496 C HIS A 33 -3.184 -9.305 3.740 1.00 10.00 C ATOM 497 O HIS A 33 -3.280 -8.830 4.869 1.00 10.00 O ATOM 498 CB HIS A 33 -0.971 -10.663 3.782 1.00 10.00 C ATOM 499 CG HIS A 33 -1.529 -12.057 3.726 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.056 -12.708 2.633 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.418 -12.972 4.734 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.322 -13.971 3.002 1.00 10.00 C ATOM 503 NE2 HIS A 33 -1.958 -14.175 4.280 1.00 10.00 N ATOM 0 H HIS A 33 -1.060 -7.985 4.248 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.964 -9.872 2.096 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.013 -10.673 3.312 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.822 -10.400 4.829 1.00 10.00 H new ATOM 0 HD1 HIS A 33 -2.215 -12.304 1.710 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -0.989 -12.795 5.709 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.766 -14.719 2.362 1.00 10.00 H new ATOM 511 N GLY A 34 -4.249 -9.523 2.962 1.00 10.00 N ATOM 512 CA GLY A 34 -5.617 -9.166 3.326 1.00 10.00 C ATOM 513 C GLY A 34 -5.887 -7.652 3.317 1.00 10.00 C ATOM 514 O GLY A 34 -6.716 -7.170 4.084 1.00 10.00 O ATOM 0 H GLY A 34 -4.179 -9.962 2.044 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.306 -9.652 2.635 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.833 -9.558 4.320 1.00 10.00 H new ATOM 518 N LEU A 35 -5.223 -6.903 2.427 1.00 10.00 N ATOM 519 CA LEU A 35 -5.453 -5.470 2.228 1.00 10.00 C ATOM 520 C LEU A 35 -6.892 -5.223 1.766 1.00 10.00 C ATOM 521 O LEU A 35 -7.654 -4.489 2.396 1.00 10.00 O ATOM 522 CB LEU A 35 -4.445 -4.959 1.185 1.00 10.00 C ATOM 523 CG LEU A 35 -4.497 -3.457 0.837 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.158 -2.551 2.022 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.580 -3.197 -0.352 1.00 10.00 C ATOM 0 H LEU A 35 -4.500 -7.284 1.816 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.312 -4.932 3.165 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.441 -5.189 1.543 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.593 -5.525 0.265 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.524 -3.204 0.573 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.213 -1.508 1.710 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.869 -2.726 2.829 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.150 -2.772 2.373 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.608 -2.138 -0.608 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.560 -3.481 -0.094 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.915 -3.786 -1.206 1.00 10.00 H new ATOM 537 N PHE A 36 -7.253 -5.841 0.640 1.00 10.00 N ATOM 538 CA PHE A 36 -8.575 -5.714 0.053 1.00 10.00 C ATOM 539 C PHE A 36 -9.564 -6.470 0.929 1.00 10.00 C ATOM 540 O PHE A 36 -9.523 -7.698 0.975 1.00 10.00 O ATOM 541 CB PHE A 36 -8.592 -6.257 -1.382 1.00 10.00 C ATOM 542 CG PHE A 36 -7.747 -5.456 -2.351 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.358 -5.651 -2.385 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.331 -4.463 -3.161 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.550 -4.820 -3.172 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.523 -3.648 -3.974 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.127 -3.812 -3.961 1.00 10.00 C ATOM 0 H PHE A 36 -6.626 -6.447 0.111 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.855 -4.662 0.003 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.239 -7.288 -1.374 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.621 -6.275 -1.741 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.911 -6.443 -1.803 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.402 -4.327 -3.158 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.479 -4.955 -3.172 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -7.974 -2.898 -4.607 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.500 -3.165 -4.556 1.00 10.00 H new ATOM 557 N GLY A 37 -10.444 -5.730 1.605 1.00 10.00 N ATOM 558 CA GLY A 37 -11.461 -6.274 2.492 1.00 10.00 C ATOM 559 C GLY A 37 -11.154 -5.982 3.959 1.00 10.00 C ATOM 560 O GLY A 37 -11.609 -6.711 4.839 1.00 10.00 O ATOM 0 H GLY A 37 -10.466 -4.712 1.546 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.432 -5.851 2.233 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.533 -7.351 2.344 1.00 10.00 H new ATOM 564 N ARG A 38 -10.429 -4.894 4.244 1.00 10.00 N ATOM 565 CA ARG A 38 -10.276 -4.385 5.594 1.00 10.00 C ATOM 566 C ARG A 38 -10.140 -2.862 5.534 1.00 10.00 C ATOM 567 O ARG A 38 -10.061 -2.284 4.448 1.00 10.00 O ATOM 568 CB ARG A 38 -9.082 -5.066 6.292 1.00 10.00 C ATOM 569 CG ARG A 38 -9.356 -5.330 7.784 1.00 10.00 C ATOM 570 CD ARG A 38 -9.452 -6.830 8.103 1.00 10.00 C ATOM 571 NE ARG A 38 -10.250 -7.100 9.314 1.00 10.00 N ATOM 572 CZ ARG A 38 -9.842 -7.047 10.595 1.00 10.00 C ATOM 573 NH1 ARG A 38 -8.608 -6.648 10.919 1.00 10.00 N ATOM 574 NH2 ARG A 38 -10.694 -7.389 11.568 1.00 10.00 N ATOM 0 H ARG A 38 -9.935 -4.348 3.538 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.155 -4.620 6.194 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.860 -6.009 5.792 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.197 -4.437 6.192 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.561 -4.884 8.382 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.285 -4.839 8.073 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -9.897 -7.351 7.255 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -8.449 -7.235 8.235 1.00 10.00 H new ATOM 0 HE ARG A 38 -11.225 -7.357 9.162 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.952 -6.375 10.187 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -8.323 -6.617 11.898 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -11.642 -7.686 11.335 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -10.396 -7.353 12.543 1.00 10.00 H new ATOM 588 N LYS A 39 -10.158 -2.221 6.706 1.00 10.00 N ATOM 589 CA LYS A 39 -10.032 -0.780 6.875 1.00 10.00 C ATOM 590 C LYS A 39 -8.685 -0.495 7.535 1.00 10.00 C ATOM 591 O LYS A 39 -8.126 -1.373 8.185 1.00 10.00 O ATOM 592 CB LYS A 39 -11.212 -0.253 7.704 1.00 10.00 C ATOM 593 CG LYS A 39 -12.513 -0.426 6.907 1.00 10.00 C ATOM 594 CD LYS A 39 -13.769 -0.121 7.731 1.00 10.00 C ATOM 595 CE LYS A 39 -15.000 -0.550 6.915 1.00 10.00 C ATOM 596 NZ LYS A 39 -16.273 -0.091 7.508 1.00 10.00 N ATOM 0 H LYS A 39 -10.265 -2.714 7.592 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.062 -0.265 5.915 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.277 -0.793 8.649 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.059 0.798 7.948 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.489 0.230 6.037 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -12.570 -1.449 6.534 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.739 -0.655 8.681 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.820 0.942 7.965 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.914 -0.155 5.903 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -15.014 -1.637 6.833 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -17.067 -0.409 6.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -16.374 -0.488 8.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -16.276 0.948 7.562 1.00 10.00 H new ATOM 610 N THR A 40 -8.149 0.711 7.358 1.00 10.00 N ATOM 611 CA THR A 40 -6.735 0.972 7.643 1.00 10.00 C ATOM 612 C THR A 40 -6.348 0.582 9.072 1.00 10.00 C ATOM 613 O THR A 40 -5.494 -0.270 9.303 1.00 10.00 O ATOM 614 CB THR A 40 -6.383 2.430 7.321 1.00 10.00 C ATOM 615 OG1 THR A 40 -6.864 3.335 8.300 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.985 2.841 5.983 1.00 10.00 C ATOM 0 H THR A 40 -8.668 1.521 7.020 1.00 10.00 H new ATOM 0 HA THR A 40 -6.140 0.333 6.990 1.00 10.00 H new ATOM 0 HB THR A 40 -5.294 2.478 7.296 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.482 4.223 8.140 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.725 3.878 5.770 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.591 2.199 5.195 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.069 2.740 6.026 1.00 10.00 H new ATOM 624 N GLY A 41 -7.045 1.180 10.040 1.00 10.00 N ATOM 625 CA GLY A 41 -6.860 0.888 11.454 1.00 10.00 C ATOM 626 C GLY A 41 -7.007 -0.600 11.800 1.00 10.00 C ATOM 627 O GLY A 41 -6.472 -1.049 12.810 1.00 10.00 O ATOM 0 H GLY A 41 -7.759 1.886 9.858 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.870 1.227 11.760 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.586 1.460 12.032 1.00 10.00 H new ATOM 631 N GLN A 42 -7.701 -1.391 10.974 1.00 10.00 N ATOM 632 CA GLN A 42 -7.960 -2.804 11.231 1.00 10.00 C ATOM 633 C GLN A 42 -6.772 -3.657 10.750 1.00 10.00 C ATOM 634 O GLN A 42 -6.959 -4.731 10.172 1.00 10.00 O ATOM 635 CB GLN A 42 -9.281 -3.197 10.544 1.00 10.00 C ATOM 636 CG GLN A 42 -10.506 -2.453 11.092 1.00 10.00 C ATOM 637 CD GLN A 42 -11.053 -3.084 12.373 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.666 -4.186 12.757 1.00 10.00 O ATOM 639 NE2 GLN A 42 -11.991 -2.409 13.029 1.00 10.00 N ATOM 0 H GLN A 42 -8.102 -1.059 10.097 1.00 10.00 H new ATOM 0 HA GLN A 42 -8.064 -2.986 12.301 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -9.196 -3.002 9.475 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -9.436 -4.270 10.661 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -10.238 -1.415 11.289 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -11.289 -2.442 10.334 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -12.294 -1.496 12.689 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -12.408 -2.804 13.872 1.00 10.00 H new ATOM 648 N ALA A 43 -5.548 -3.190 11.001 1.00 10.00 N ATOM 649 CA ALA A 43 -4.319 -3.858 10.590 1.00 10.00 C ATOM 650 C ALA A 43 -4.103 -5.127 11.425 1.00 10.00 C ATOM 651 O ALA A 43 -4.633 -5.215 12.535 1.00 10.00 O ATOM 652 CB ALA A 43 -3.156 -2.879 10.774 1.00 10.00 C ATOM 0 H ALA A 43 -5.383 -2.319 11.506 1.00 10.00 H new ATOM 0 HA ALA A 43 -4.382 -4.157 9.544 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -2.225 -3.359 10.472 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -3.324 -1.995 10.160 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -3.090 -2.586 11.822 1.00 10.00 H new ATOM 658 N PRO A 44 -3.321 -6.112 10.946 1.00 10.00 N ATOM 659 CA PRO A 44 -3.049 -7.324 11.706 1.00 10.00 C ATOM 660 C PRO A 44 -2.053 -7.050 12.844 1.00 10.00 C ATOM 661 O PRO A 44 -0.919 -7.520 12.804 1.00 10.00 O ATOM 662 CB PRO A 44 -2.519 -8.325 10.672 1.00 10.00 C ATOM 663 CG PRO A 44 -1.803 -7.426 9.665 1.00 10.00 C ATOM 664 CD PRO A 44 -2.710 -6.198 9.622 1.00 10.00 C ATOM 0 HA PRO A 44 -3.934 -7.717 12.206 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.840 -9.049 11.122 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -3.326 -8.891 10.207 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -0.793 -7.175 9.990 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.714 -7.900 8.688 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -2.139 -5.297 9.395 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -3.469 -6.299 8.846 1.00 10.00 H new ATOM 672 N GLY A 45 -2.483 -6.291 13.861 1.00 10.00 N ATOM 673 CA GLY A 45 -1.721 -5.999 15.073 1.00 10.00 C ATOM 674 C GLY A 45 -0.277 -5.592 14.773 1.00 10.00 C ATOM 675 O GLY A 45 0.665 -6.138 15.342 1.00 10.00 O ATOM 0 H GLY A 45 -3.403 -5.850 13.858 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -2.214 -5.198 15.624 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -1.721 -6.877 15.719 1.00 10.00 H new ATOM 679 N PHE A 46 -0.124 -4.628 13.865 1.00 10.00 N ATOM 680 CA PHE A 46 1.152 -4.161 13.344 1.00 10.00 C ATOM 681 C PHE A 46 1.413 -2.736 13.855 1.00 10.00 C ATOM 682 O PHE A 46 0.480 -2.026 14.232 1.00 10.00 O ATOM 683 CB PHE A 46 1.079 -4.223 11.813 1.00 10.00 C ATOM 684 CG PHE A 46 2.149 -3.432 11.093 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.459 -3.937 10.989 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.855 -2.138 10.622 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.473 -3.145 10.419 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.863 -1.361 10.030 1.00 10.00 C ATOM 689 CZ PHE A 46 4.176 -1.853 9.954 1.00 10.00 C ATOM 0 H PHE A 46 -0.919 -4.135 13.459 1.00 10.00 H new ATOM 0 HA PHE A 46 1.981 -4.783 13.682 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.147 -5.266 11.502 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.102 -3.859 11.495 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.685 -4.931 11.346 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.854 -1.743 10.716 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.479 -3.530 10.339 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.629 -0.384 9.633 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.959 -1.237 9.537 1.00 10.00 H new ATOM 699 N THR A 47 2.680 -2.311 13.851 1.00 10.00 N ATOM 700 CA THR A 47 3.098 -0.968 14.237 1.00 10.00 C ATOM 701 C THR A 47 2.714 0.039 13.137 1.00 10.00 C ATOM 702 O THR A 47 3.519 0.418 12.289 1.00 10.00 O ATOM 703 CB THR A 47 4.586 -0.980 14.646 1.00 10.00 C ATOM 704 OG1 THR A 47 5.006 0.317 15.013 1.00 10.00 O ATOM 705 CG2 THR A 47 5.546 -1.568 13.601 1.00 10.00 C ATOM 0 H THR A 47 3.458 -2.908 13.572 1.00 10.00 H new ATOM 0 HA THR A 47 2.566 -0.627 15.125 1.00 10.00 H new ATOM 0 HB THR A 47 4.638 -1.657 15.499 1.00 10.00 H new ATOM 0 HG1 THR A 47 5.951 0.294 15.271 1.00 10.00 H new ATOM 0 HG21 THR A 47 6.566 -1.531 13.983 1.00 10.00 H new ATOM 0 HG22 THR A 47 5.272 -2.603 13.397 1.00 10.00 H new ATOM 0 HG23 THR A 47 5.482 -0.987 12.681 1.00 10.00 H new ATOM 713 N TYR A 48 1.443 0.450 13.141 1.00 10.00 N ATOM 714 CA TYR A 48 0.876 1.416 12.217 1.00 10.00 C ATOM 715 C TYR A 48 1.395 2.814 12.553 1.00 10.00 C ATOM 716 O TYR A 48 2.161 2.988 13.499 1.00 10.00 O ATOM 717 CB TYR A 48 -0.660 1.323 12.282 1.00 10.00 C ATOM 718 CG TYR A 48 -1.256 1.392 13.679 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.126 2.560 14.455 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.890 0.262 14.230 1.00 10.00 C ATOM 721 CE1 TYR A 48 -1.530 2.564 15.800 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.372 0.297 15.550 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.164 1.436 16.344 1.00 10.00 C ATOM 724 OH TYR A 48 -2.624 1.464 17.626 1.00 10.00 O ATOM 0 H TYR A 48 0.762 0.102 13.816 1.00 10.00 H new ATOM 0 HA TYR A 48 1.181 1.201 11.193 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.082 2.131 11.684 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.971 0.387 11.818 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -0.714 3.456 14.014 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.006 -0.633 13.637 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -1.353 3.434 16.415 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.903 -0.553 15.954 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.037 0.603 17.844 1.00 10.00 H new ATOM 734 N THR A 49 0.941 3.817 11.802 1.00 10.00 N ATOM 735 CA THR A 49 1.294 5.210 12.019 1.00 10.00 C ATOM 736 C THR A 49 0.041 5.995 12.414 1.00 10.00 C ATOM 737 O THR A 49 -1.075 5.536 12.161 1.00 10.00 O ATOM 738 CB THR A 49 1.904 5.779 10.726 1.00 10.00 C ATOM 739 OG1 THR A 49 0.990 5.643 9.650 1.00 10.00 O ATOM 740 CG2 THR A 49 3.229 5.095 10.371 1.00 10.00 C ATOM 0 H THR A 49 0.308 3.677 11.015 1.00 10.00 H new ATOM 0 HA THR A 49 2.025 5.293 12.823 1.00 10.00 H new ATOM 0 HB THR A 49 2.108 6.835 10.900 1.00 10.00 H new ATOM 0 HG1 THR A 49 0.309 4.977 9.881 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.626 5.526 9.452 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.944 5.244 11.180 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.061 4.028 10.228 1.00 10.00 H new ATOM 748 N ASP A 50 0.200 7.198 12.980 1.00 10.00 N ATOM 749 CA ASP A 50 -0.913 8.102 13.268 1.00 10.00 C ATOM 750 C ASP A 50 -1.396 8.786 11.988 1.00 10.00 C ATOM 751 O ASP A 50 -1.420 10.008 11.869 1.00 10.00 O ATOM 752 CB ASP A 50 -0.548 9.094 14.380 1.00 10.00 C ATOM 753 CG ASP A 50 -0.545 8.427 15.748 1.00 10.00 C ATOM 754 OD1 ASP A 50 -1.598 7.844 16.095 1.00 10.00 O ATOM 755 OD2 ASP A 50 0.506 8.505 16.416 1.00 10.00 O ATOM 0 H ASP A 50 1.110 7.570 13.251 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.752 7.518 13.647 1.00 10.00 H new ATOM 0 HB2 ASP A 50 0.435 9.520 14.180 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -1.259 9.920 14.379 1.00 10.00 H new ATOM 760 N ALA A 51 -1.828 7.958 11.039 1.00 10.00 N ATOM 761 CA ALA A 51 -2.414 8.356 9.778 1.00 10.00 C ATOM 762 C ALA A 51 -3.299 7.209 9.318 1.00 10.00 C ATOM 763 O ALA A 51 -4.522 7.338 9.263 1.00 10.00 O ATOM 764 CB ALA A 51 -1.318 8.663 8.756 1.00 10.00 C ATOM 0 H ALA A 51 -1.773 6.945 11.142 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.005 9.265 9.886 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.774 8.961 7.812 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.691 9.473 9.128 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.707 7.774 8.599 1.00 10.00 H new ATOM 770 N ASN A 52 -2.706 6.034 9.089 1.00 10.00 N ATOM 771 CA ASN A 52 -3.414 4.862 8.589 1.00 10.00 C ATOM 772 C ASN A 52 -4.205 4.154 9.695 1.00 10.00 C ATOM 773 O ASN A 52 -4.461 2.957 9.616 1.00 10.00 O ATOM 774 CB ASN A 52 -2.444 3.926 7.851 1.00 10.00 C ATOM 775 CG ASN A 52 -1.583 3.090 8.796 1.00 10.00 C ATOM 776 OD1 ASN A 52 -0.895 3.636 9.657 1.00 10.00 O ATOM 777 ND2 ASN A 52 -1.607 1.772 8.647 1.00 10.00 N ATOM 0 H ASN A 52 -1.712 5.873 9.248 1.00 10.00 H new ATOM 0 HA ASN A 52 -4.159 5.193 7.865 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -3.014 3.260 7.203 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.795 4.519 7.207 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -1.044 1.179 9.257 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.189 1.351 7.923 1.00 10.00 H new ATOM 784 N LYS A 53 -4.694 4.910 10.679 1.00 10.00 N ATOM 785 CA LYS A 53 -5.573 4.442 11.737 1.00 10.00 C ATOM 786 C LYS A 53 -6.813 5.330 11.799 1.00 10.00 C ATOM 787 O LYS A 53 -7.934 4.831 11.773 1.00 10.00 O ATOM 788 CB LYS A 53 -4.808 4.339 13.066 1.00 10.00 C ATOM 789 CG LYS A 53 -4.154 5.639 13.561 1.00 10.00 C ATOM 790 CD LYS A 53 -3.426 5.407 14.895 1.00 10.00 C ATOM 791 CE LYS A 53 -4.079 6.153 16.065 1.00 10.00 C ATOM 792 NZ LYS A 53 -5.398 5.589 16.417 1.00 10.00 N ATOM 0 H LYS A 53 -4.476 5.903 10.759 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.923 3.432 11.523 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.496 3.985 13.834 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.032 3.581 12.960 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -3.449 6.004 12.815 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -4.914 6.410 13.685 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -3.410 4.339 15.114 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -2.389 5.728 14.799 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -3.423 6.109 16.934 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -4.193 7.205 15.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -5.803 6.123 17.212 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -6.034 5.654 15.596 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -5.287 4.592 16.691 1.00 10.00 H new ATOM 806 N ASN A 54 -6.612 6.650 11.835 1.00 10.00 N ATOM 807 CA ASN A 54 -7.705 7.613 11.840 1.00 10.00 C ATOM 808 C ASN A 54 -8.373 7.698 10.467 1.00 10.00 C ATOM 809 O ASN A 54 -9.498 8.179 10.377 1.00 10.00 O ATOM 810 CB ASN A 54 -7.198 8.991 12.301 1.00 10.00 C ATOM 811 CG ASN A 54 -7.078 9.083 13.823 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.978 8.681 14.553 1.00 10.00 O ATOM 813 ND2 ASN A 54 -5.962 9.595 14.335 1.00 10.00 N ATOM 0 H ASN A 54 -5.686 7.076 11.861 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.461 7.272 12.547 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -6.226 9.188 11.849 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -7.878 9.764 11.944 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -5.847 9.657 15.347 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.222 9.925 13.716 1.00 10.00 H new ATOM 820 N LYS A 55 -7.700 7.251 9.398 1.00 10.00 N ATOM 821 CA LYS A 55 -8.242 7.366 8.049 1.00 10.00 C ATOM 822 C LYS A 55 -9.560 6.600 7.911 1.00 10.00 C ATOM 823 O LYS A 55 -10.552 7.141 7.431 1.00 10.00 O ATOM 824 CB LYS A 55 -7.203 6.871 7.034 1.00 10.00 C ATOM 825 CG LYS A 55 -7.315 7.619 5.693 1.00 10.00 C ATOM 826 CD LYS A 55 -5.982 7.680 4.928 1.00 10.00 C ATOM 827 CE LYS A 55 -5.409 6.301 4.567 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.945 6.226 4.763 1.00 10.00 N ATOM 0 H LYS A 55 -6.782 6.809 9.447 1.00 10.00 H new ATOM 0 HA LYS A 55 -8.460 8.415 7.847 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.202 7.006 7.443 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.338 5.802 6.867 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.063 7.128 5.070 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.669 8.633 5.877 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -6.125 8.254 4.013 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.252 8.219 5.532 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.893 5.539 5.178 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -5.645 6.074 3.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.698 5.308 5.186 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.466 6.324 3.845 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.640 6.992 5.396 1.00 10.00 H new ATOM 842 N GLY A 56 -9.552 5.326 8.311 1.00 10.00 N ATOM 843 CA GLY A 56 -10.755 4.510 8.388 1.00 10.00 C ATOM 844 C GLY A 56 -11.447 4.299 7.037 1.00 10.00 C ATOM 845 O GLY A 56 -12.663 4.124 6.982 1.00 10.00 O ATOM 0 H GLY A 56 -8.704 4.834 8.591 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.497 3.538 8.809 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.458 4.980 9.076 1.00 10.00 H new ATOM 849 N ILE A 57 -10.665 4.274 5.955 1.00 10.00 N ATOM 850 CA ILE A 57 -11.139 4.015 4.597 1.00 10.00 C ATOM 851 C ILE A 57 -11.060 2.533 4.264 1.00 10.00 C ATOM 852 O ILE A 57 -10.654 1.746 5.112 1.00 10.00 O ATOM 853 CB ILE A 57 -10.400 4.900 3.574 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.868 4.785 3.618 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.811 6.358 3.788 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.320 3.455 3.089 1.00 10.00 C ATOM 0 H ILE A 57 -9.659 4.438 6.002 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.192 4.289 4.540 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.695 4.540 2.588 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.437 5.599 3.035 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.535 4.918 4.647 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.293 6.992 3.068 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.888 6.457 3.649 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.546 6.666 4.799 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.232 3.457 3.156 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.718 2.634 3.686 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -8.619 3.326 2.049 1.00 10.00 H new ATOM 868 N THR A 58 -11.438 2.165 3.036 1.00 10.00 N ATOM 869 CA THR A 58 -11.420 0.807 2.516 1.00 10.00 C ATOM 870 C THR A 58 -10.459 0.735 1.328 1.00 10.00 C ATOM 871 O THR A 58 -10.580 1.487 0.362 1.00 10.00 O ATOM 872 CB THR A 58 -12.840 0.376 2.113 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.470 1.348 1.303 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.710 0.143 3.347 1.00 10.00 C ATOM 0 H THR A 58 -11.779 2.841 2.352 1.00 10.00 H new ATOM 0 HA THR A 58 -11.072 0.120 3.287 1.00 10.00 H new ATOM 0 HB THR A 58 -12.736 -0.551 1.549 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.797 1.802 0.753 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.709 -0.161 3.035 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.267 -0.641 3.961 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.775 1.064 3.926 1.00 10.00 H new ATOM 882 N TRP A 59 -9.490 -0.175 1.397 1.00 10.00 N ATOM 883 CA TRP A 59 -8.492 -0.330 0.356 1.00 10.00 C ATOM 884 C TRP A 59 -9.068 -1.105 -0.822 1.00 10.00 C ATOM 885 O TRP A 59 -8.836 -2.301 -0.965 1.00 10.00 O ATOM 886 CB TRP A 59 -7.282 -1.024 0.954 1.00 10.00 C ATOM 887 CG TRP A 59 -6.648 -0.252 2.056 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.691 -0.570 3.367 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.862 0.971 1.953 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.867 0.296 4.050 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.373 1.300 3.247 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.490 1.819 0.890 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.542 2.407 3.480 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.626 2.910 1.103 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.166 3.216 2.396 1.00 10.00 C ATOM 0 H TRP A 59 -9.380 -0.822 2.178 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.187 0.644 -0.027 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.582 -2.002 1.330 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.545 -1.196 0.169 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.272 -1.368 3.805 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.647 0.204 5.042 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.873 1.629 -0.102 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.197 2.633 4.478 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.314 3.517 0.266 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.525 4.071 2.555 1.00 10.00 H new ATOM 906 N LYS A 60 -9.828 -0.405 -1.661 1.00 10.00 N ATOM 907 CA LYS A 60 -10.500 -0.982 -2.820 1.00 10.00 C ATOM 908 C LYS A 60 -10.122 -0.214 -4.089 1.00 10.00 C ATOM 909 O LYS A 60 -10.975 0.391 -4.731 1.00 10.00 O ATOM 910 CB LYS A 60 -12.011 -1.024 -2.570 1.00 10.00 C ATOM 911 CG LYS A 60 -12.597 0.349 -2.203 1.00 10.00 C ATOM 912 CD LYS A 60 -14.024 0.534 -2.748 1.00 10.00 C ATOM 913 CE LYS A 60 -14.084 1.901 -3.437 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.410 2.241 -3.988 1.00 10.00 N ATOM 0 H LYS A 60 -9.996 0.595 -1.552 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.171 -2.010 -2.972 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.511 -1.400 -3.463 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.221 -1.729 -1.766 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.606 0.461 -1.119 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.954 1.135 -2.599 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.271 -0.261 -3.452 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.753 0.481 -1.939 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.792 2.670 -2.721 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.351 1.922 -4.244 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.298 2.631 -4.946 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.999 1.385 -4.030 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.869 2.947 -3.378 1.00 10.00 H new ATOM 928 N GLU A 61 -8.822 -0.208 -4.390 1.00 10.00 N ATOM 929 CA GLU A 61 -8.163 0.540 -5.455 1.00 10.00 C ATOM 930 C GLU A 61 -8.284 2.066 -5.340 1.00 10.00 C ATOM 931 O GLU A 61 -7.252 2.724 -5.373 1.00 10.00 O ATOM 932 CB GLU A 61 -8.362 -0.045 -6.864 1.00 10.00 C ATOM 933 CG GLU A 61 -9.686 0.285 -7.583 1.00 10.00 C ATOM 934 CD GLU A 61 -10.592 -0.910 -7.876 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.265 -2.037 -7.442 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.602 -0.708 -8.577 1.00 10.00 O ATOM 0 H GLU A 61 -8.157 -0.767 -3.856 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.100 0.377 -5.277 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.541 0.300 -7.492 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.276 -1.129 -6.795 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.241 0.999 -6.975 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.453 0.782 -8.525 1.00 10.00 H new ATOM 943 N GLU A 62 -9.481 2.636 -5.162 1.00 10.00 N ATOM 944 CA GLU A 62 -9.710 4.077 -5.041 1.00 10.00 C ATOM 945 C GLU A 62 -8.688 4.751 -4.123 1.00 10.00 C ATOM 946 O GLU A 62 -7.965 5.646 -4.554 1.00 10.00 O ATOM 947 CB GLU A 62 -11.134 4.337 -4.523 1.00 10.00 C ATOM 948 CG GLU A 62 -12.178 4.351 -5.648 1.00 10.00 C ATOM 949 CD GLU A 62 -13.595 4.450 -5.100 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.753 4.874 -3.938 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.524 3.938 -5.763 1.00 10.00 O ATOM 0 H GLU A 62 -10.340 2.091 -5.097 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.592 4.512 -6.033 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.398 3.569 -3.797 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.157 5.292 -3.999 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.985 5.193 -6.313 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.081 3.444 -6.245 1.00 10.00 H new ATOM 958 N THR A 63 -8.613 4.349 -2.851 1.00 10.00 N ATOM 959 CA THR A 63 -7.664 4.993 -1.959 1.00 10.00 C ATOM 960 C THR A 63 -6.230 4.762 -2.442 1.00 10.00 C ATOM 961 O THR A 63 -5.462 5.718 -2.535 1.00 10.00 O ATOM 962 CB THR A 63 -7.880 4.548 -0.510 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.245 4.681 -0.173 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.031 5.410 0.426 1.00 10.00 C ATOM 0 H THR A 63 -9.177 3.609 -2.434 1.00 10.00 H new ATOM 0 HA THR A 63 -7.837 6.069 -1.980 1.00 10.00 H new ATOM 0 HB THR A 63 -7.582 3.505 -0.405 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.324 5.023 0.742 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.187 5.091 1.456 1.00 10.00 H new ATOM 0 HG22 THR A 63 -5.978 5.299 0.167 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.322 6.455 0.322 1.00 10.00 H new ATOM 972 N LEU A 64 -5.865 3.510 -2.753 1.00 10.00 N ATOM 973 CA LEU A 64 -4.524 3.191 -3.236 1.00 10.00 C ATOM 974 C LEU A 64 -4.127 4.098 -4.404 1.00 10.00 C ATOM 975 O LEU A 64 -3.002 4.584 -4.436 1.00 10.00 O ATOM 976 CB LEU A 64 -4.382 1.723 -3.665 1.00 10.00 C ATOM 977 CG LEU A 64 -4.040 0.719 -2.553 1.00 10.00 C ATOM 978 CD1 LEU A 64 -5.129 -0.344 -2.395 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.736 0.003 -2.933 1.00 10.00 C ATOM 0 H LEU A 64 -6.485 2.704 -2.677 1.00 10.00 H new ATOM 0 HA LEU A 64 -3.854 3.363 -2.394 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.316 1.411 -4.132 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.608 1.663 -4.430 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.948 1.267 -1.616 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.850 -1.035 -1.599 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -6.074 0.138 -2.143 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.240 -0.893 -3.330 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.475 -0.715 -2.155 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.871 -0.520 -3.880 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.935 0.735 -3.034 1.00 10.00 H new ATOM 991 N MET A 65 -5.027 4.320 -5.363 1.00 10.00 N ATOM 992 CA MET A 65 -4.767 5.124 -6.542 1.00 10.00 C ATOM 993 C MET A 65 -4.089 6.442 -6.165 1.00 10.00 C ATOM 994 O MET A 65 -3.033 6.741 -6.723 1.00 10.00 O ATOM 995 CB MET A 65 -6.059 5.327 -7.354 1.00 10.00 C ATOM 996 CG MET A 65 -6.239 4.235 -8.411 1.00 10.00 C ATOM 997 SD MET A 65 -7.652 4.413 -9.536 1.00 10.00 S ATOM 998 CE MET A 65 -7.320 6.025 -10.286 1.00 10.00 C ATOM 0 H MET A 65 -5.972 3.936 -5.335 1.00 10.00 H new ATOM 0 HA MET A 65 -4.069 4.591 -7.187 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.916 5.327 -6.681 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.035 6.303 -7.839 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.330 4.189 -9.011 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.331 3.277 -7.898 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.613 6.005 -11.336 1.00 10.00 H new ATOM 0 HE2 MET A 65 -7.890 6.793 -9.764 1.00 10.00 H new ATOM 0 HE3 MET A 65 -6.256 6.249 -10.211 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.644 7.188 -5.202 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.046 8.451 -4.784 1.00 10.00 C ATOM 1010 C GLU A 66 -2.941 8.211 -3.760 1.00 10.00 C ATOM 1011 O GLU A 66 -1.890 8.835 -3.833 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.099 9.422 -4.240 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.011 9.971 -5.347 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.617 11.313 -4.950 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -5.847 12.298 -4.895 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.831 11.329 -4.653 1.00 10.00 O ATOM 0 H GLU A 66 -5.499 6.938 -4.705 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.602 8.915 -5.665 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -5.706 8.914 -3.491 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.601 10.251 -3.738 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -5.440 10.086 -6.268 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.808 9.256 -5.553 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.154 7.310 -2.800 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.171 7.024 -1.762 1.00 10.00 C ATOM 1025 C TYR A 67 -0.797 6.732 -2.370 1.00 10.00 C ATOM 1026 O TYR A 67 0.223 7.219 -1.888 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.660 5.844 -0.920 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.939 5.674 0.404 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.094 6.648 1.406 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.159 4.530 0.660 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.533 6.447 2.677 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.631 4.314 1.946 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.844 5.259 2.964 1.00 10.00 C ATOM 1034 OH TYR A 67 -0.677 4.922 4.272 1.00 10.00 O ATOM 0 H TYR A 67 -4.010 6.761 -2.723 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.061 7.900 -1.123 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.725 5.969 -0.726 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.548 4.928 -1.501 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.646 7.553 1.197 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -0.966 3.819 -0.130 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.632 7.209 3.436 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.061 3.420 2.151 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.882 3.971 4.394 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.785 5.946 -3.448 1.00 10.00 N ATOM 1045 CA LEU A 68 0.396 5.718 -4.253 1.00 10.00 C ATOM 1046 C LEU A 68 0.650 6.939 -5.142 1.00 10.00 C ATOM 1047 O LEU A 68 1.691 7.576 -5.009 1.00 10.00 O ATOM 1048 CB LEU A 68 0.260 4.426 -5.072 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.086 3.171 -4.251 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.104 1.963 -5.194 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.855 2.913 -3.069 1.00 10.00 C ATOM 0 H LEU A 68 -1.610 5.448 -3.783 1.00 10.00 H new ATOM 0 HA LEU A 68 1.260 5.585 -3.601 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.512 4.572 -5.828 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.196 4.249 -5.602 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.066 3.338 -3.804 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.348 1.064 -4.629 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.854 2.118 -5.970 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.877 1.847 -5.655 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.541 2.011 -2.544 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.873 2.783 -3.436 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.821 3.761 -2.385 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.268 7.294 -6.051 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.022 8.344 -7.042 1.00 10.00 C ATOM 1065 C GLU A 69 -0.341 9.735 -6.493 1.00 10.00 C ATOM 1066 O GLU A 69 -1.016 10.517 -7.155 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.810 8.034 -8.322 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.240 8.707 -9.586 1.00 10.00 C ATOM 1069 CD GLU A 69 -1.281 9.476 -10.398 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -2.433 8.987 -10.472 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -0.898 10.507 -10.985 1.00 10.00 O ATOM 0 H GLU A 69 -1.191 6.866 -6.118 1.00 10.00 H new ATOM 0 HA GLU A 69 1.041 8.355 -7.283 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -0.827 6.955 -8.474 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.843 8.354 -8.187 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.557 9.391 -9.294 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.211 7.944 -10.221 1.00 10.00 H new ATOM 1078 N ASN A 70 0.166 10.034 -5.295 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.065 11.242 -4.497 1.00 10.00 C ATOM 1080 C ASN A 70 0.309 10.921 -3.039 1.00 10.00 C ATOM 1081 O ASN A 70 -0.508 11.041 -2.125 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.518 11.763 -4.630 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.621 13.051 -5.440 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.362 14.136 -4.930 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.005 12.954 -6.705 1.00 10.00 N ATOM 0 H ASN A 70 0.797 9.389 -4.820 1.00 10.00 H new ATOM 0 HA ASN A 70 0.561 12.054 -4.867 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.131 10.995 -5.101 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.929 11.933 -3.635 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -2.091 13.794 -7.278 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -2.215 12.040 -7.106 1.00 10.00 H new ATOM 1092 N PRO A 71 1.573 10.543 -2.773 1.00 10.00 N ATOM 1093 CA PRO A 71 1.982 10.133 -1.441 1.00 10.00 C ATOM 1094 C PRO A 71 2.039 11.314 -0.470 1.00 10.00 C ATOM 1095 O PRO A 71 2.167 11.089 0.731 1.00 10.00 O ATOM 1096 CB PRO A 71 3.351 9.479 -1.621 1.00 10.00 C ATOM 1097 CG PRO A 71 3.938 10.231 -2.812 1.00 10.00 C ATOM 1098 CD PRO A 71 2.713 10.529 -3.682 1.00 10.00 C ATOM 0 HA PRO A 71 1.263 9.443 -1.000 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.970 9.588 -0.730 1.00 10.00 H new ATOM 0 HB3 PRO A 71 3.265 8.411 -1.821 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.442 11.146 -2.501 1.00 10.00 H new ATOM 0 HG3 PRO A 71 4.673 9.628 -3.346 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.819 11.487 -4.191 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.588 9.770 -4.454 1.00 10.00 H new ATOM 1106 N LYS A 72 1.949 12.557 -0.971 1.00 10.00 N ATOM 1107 CA LYS A 72 1.882 13.749 -0.143 1.00 10.00 C ATOM 1108 C LYS A 72 0.556 14.492 -0.356 1.00 10.00 C ATOM 1109 O LYS A 72 0.526 15.612 -0.860 1.00 10.00 O ATOM 1110 CB LYS A 72 3.105 14.658 -0.374 1.00 10.00 C ATOM 1111 CG LYS A 72 3.348 15.140 -1.821 1.00 10.00 C ATOM 1112 CD LYS A 72 4.302 14.223 -2.599 1.00 10.00 C ATOM 1113 CE LYS A 72 4.812 14.906 -3.880 1.00 10.00 C ATOM 1114 NZ LYS A 72 5.965 14.193 -4.470 1.00 10.00 N ATOM 0 H LYS A 72 1.921 12.753 -1.972 1.00 10.00 H new ATOM 0 HA LYS A 72 1.912 13.440 0.902 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.002 15.536 0.264 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.994 14.123 -0.040 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.394 15.195 -2.346 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.758 16.150 -1.799 1.00 10.00 H new ATOM 0 HD2 LYS A 72 5.148 13.954 -1.966 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.789 13.296 -2.858 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.004 14.955 -4.610 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.099 15.933 -3.653 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 6.276 14.688 -5.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 6.746 14.168 -3.784 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 5.685 13.221 -4.711 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.548 13.861 0.037 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.883 14.444 -0.035 1.00 10.00 C ATOM 1130 C LYS A 73 -2.791 13.672 0.919 1.00 10.00 C ATOM 1131 O LYS A 73 -3.418 14.257 1.801 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.414 14.387 -1.482 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.442 15.743 -2.218 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.875 16.150 -2.619 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.899 16.895 -3.962 1.00 10.00 C ATOM 1136 NZ LYS A 73 -5.282 17.159 -4.416 1.00 10.00 N ATOM 0 H LYS A 73 -0.539 12.916 0.420 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.857 15.493 0.259 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.797 13.693 -2.053 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.424 13.977 -1.467 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -2.012 16.513 -1.577 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.818 15.685 -3.110 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.501 15.260 -2.685 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -4.304 16.784 -1.843 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.362 17.838 -3.865 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -3.375 16.306 -4.715 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -5.259 17.663 -5.325 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -5.787 16.257 -4.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -5.774 17.742 -3.709 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.845 12.348 0.753 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.689 11.475 1.559 1.00 10.00 C ATOM 1152 C TYR A 74 -3.120 11.317 2.981 1.00 10.00 C ATOM 1153 O TYR A 74 -2.594 10.267 3.345 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.914 10.143 0.820 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.086 10.125 -0.153 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.399 11.248 -0.946 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.939 9.005 -0.185 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.590 11.281 -1.690 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.130 9.041 -0.930 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.453 10.174 -1.692 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.585 10.169 -2.446 1.00 10.00 O ATOM 0 H TYR A 74 -2.298 11.852 0.049 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.672 11.927 1.693 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.005 9.893 0.272 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.066 9.358 1.560 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -4.720 12.087 -0.982 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -5.677 8.114 0.366 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -6.843 12.161 -2.263 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.799 8.193 -0.916 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.528 10.873 -3.126 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.296 12.374 3.781 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.994 12.500 5.205 1.00 10.00 C ATOM 1173 C ILE A 75 -1.478 12.729 5.409 1.00 10.00 C ATOM 1174 O ILE A 75 -0.709 11.772 5.540 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.657 11.403 6.085 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -5.201 11.473 6.072 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.230 11.572 7.550 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -5.869 11.230 4.715 1.00 10.00 C ATOM 0 H ILE A 75 -3.689 13.240 3.412 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.478 13.397 5.591 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.332 10.451 5.665 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -5.585 10.740 6.781 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -5.504 12.455 6.434 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.700 10.799 8.158 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.146 11.484 7.626 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -3.540 12.554 7.908 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -6.951 11.303 4.824 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -5.525 11.978 4.001 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.607 10.236 4.353 1.00 10.00 H new ATOM 1190 N PRO A 76 -1.025 14.002 5.419 1.00 10.00 N ATOM 1191 CA PRO A 76 0.387 14.371 5.492 1.00 10.00 C ATOM 1192 C PRO A 76 0.992 14.178 6.888 1.00 10.00 C ATOM 1193 O PRO A 76 1.389 15.135 7.546 1.00 10.00 O ATOM 1194 CB PRO A 76 0.466 15.805 4.955 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.889 16.390 5.337 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.833 15.196 5.197 1.00 10.00 C ATOM 0 HA PRO A 76 1.005 13.709 4.886 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.287 16.361 5.407 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.624 15.824 3.877 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.886 16.785 6.353 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.175 17.210 4.678 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.645 15.256 5.922 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.290 15.177 4.208 1.00 10.00 H new ATOM 1204 N GLY A 77 1.133 12.914 7.295 1.00 10.00 N ATOM 1205 CA GLY A 77 1.968 12.486 8.414 1.00 10.00 C ATOM 1206 C GLY A 77 2.155 10.973 8.327 1.00 10.00 C ATOM 1207 O GLY A 77 1.879 10.263 9.289 1.00 10.00 O ATOM 0 H GLY A 77 0.653 12.138 6.839 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.934 12.990 8.380 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.500 12.756 9.361 1.00 10.00 H new ATOM 1211 N THR A 78 2.588 10.493 7.153 1.00 10.00 N ATOM 1212 CA THR A 78 2.641 9.069 6.839 1.00 10.00 C ATOM 1213 C THR A 78 4.056 8.667 6.385 1.00 10.00 C ATOM 1214 O THR A 78 4.962 8.617 7.215 1.00 10.00 O ATOM 1215 CB THR A 78 1.504 8.729 5.855 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.278 9.282 6.295 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.312 7.217 5.774 1.00 10.00 C ATOM 0 H THR A 78 2.912 11.091 6.393 1.00 10.00 H new ATOM 0 HA THR A 78 2.462 8.459 7.725 1.00 10.00 H new ATOM 0 HB THR A 78 1.780 9.140 4.884 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.147 10.160 5.879 1.00 10.00 H new ATOM 0 HG21 THR A 78 0.506 6.989 5.076 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.235 6.751 5.428 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.058 6.829 6.760 1.00 10.00 H new ATOM 1225 N LYS A 79 4.288 8.403 5.091 1.00 10.00 N ATOM 1226 CA LYS A 79 5.570 7.972 4.571 1.00 10.00 C ATOM 1227 C LYS A 79 5.653 8.458 3.126 1.00 10.00 C ATOM 1228 O LYS A 79 5.283 7.757 2.181 1.00 10.00 O ATOM 1229 CB LYS A 79 5.723 6.452 4.733 1.00 10.00 C ATOM 1230 CG LYS A 79 6.938 5.925 3.960 1.00 10.00 C ATOM 1231 CD LYS A 79 7.305 4.489 4.352 1.00 10.00 C ATOM 1232 CE LYS A 79 7.975 4.360 5.729 1.00 10.00 C ATOM 1233 NZ LYS A 79 9.234 5.127 5.829 1.00 10.00 N ATOM 0 H LYS A 79 3.569 8.488 4.373 1.00 10.00 H new ATOM 0 HA LYS A 79 6.407 8.400 5.123 1.00 10.00 H new ATOM 0 HB2 LYS A 79 5.828 6.206 5.790 1.00 10.00 H new ATOM 0 HB3 LYS A 79 4.821 5.954 4.378 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.729 5.964 2.891 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.792 6.578 4.142 1.00 10.00 H new ATOM 0 HD2 LYS A 79 6.401 3.880 4.343 1.00 10.00 H new ATOM 0 HD3 LYS A 79 7.974 4.078 3.596 1.00 10.00 H new ATOM 0 HE2 LYS A 79 7.283 4.704 6.498 1.00 10.00 H new ATOM 0 HE3 LYS A 79 8.179 3.309 5.931 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 9.735 4.860 6.700 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 9.835 4.917 5.006 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 9.020 6.144 5.851 1.00 10.00 H new ATOM 1247 N MET A 80 6.132 9.690 2.977 1.00 10.00 N ATOM 1248 CA MET A 80 6.443 10.269 1.686 1.00 10.00 C ATOM 1249 C MET A 80 7.625 9.518 1.067 1.00 10.00 C ATOM 1250 O MET A 80 8.583 9.204 1.773 1.00 10.00 O ATOM 1251 CB MET A 80 6.715 11.768 1.864 1.00 10.00 C ATOM 1252 CG MET A 80 7.984 12.099 2.674 1.00 10.00 C ATOM 1253 SD MET A 80 8.091 13.821 3.228 1.00 10.00 S ATOM 1254 CE MET A 80 8.454 14.670 1.676 1.00 10.00 C ATOM 0 H MET A 80 6.315 10.316 3.761 1.00 10.00 H new ATOM 0 HA MET A 80 5.604 10.170 0.997 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.798 12.228 0.879 1.00 10.00 H new ATOM 0 HB3 MET A 80 5.856 12.224 2.357 1.00 10.00 H new ATOM 0 HG2 MET A 80 8.024 11.446 3.546 1.00 10.00 H new ATOM 0 HG3 MET A 80 8.859 11.871 2.065 1.00 10.00 H new ATOM 0 HE1 MET A 80 8.548 15.740 1.860 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.388 14.290 1.263 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.645 14.493 0.967 1.00 10.00 H new ATOM 1264 N ILE A 81 7.551 9.216 -0.233 1.00 10.00 N ATOM 1265 CA ILE A 81 8.630 8.594 -0.992 1.00 10.00 C ATOM 1266 C ILE A 81 8.726 9.281 -2.365 1.00 10.00 C ATOM 1267 O ILE A 81 8.548 10.496 -2.449 1.00 10.00 O ATOM 1268 CB ILE A 81 8.472 7.052 -1.028 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.155 6.580 -1.674 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.598 6.466 0.386 1.00 10.00 C ATOM 1271 CD1 ILE A 81 7.134 5.059 -1.877 1.00 10.00 C ATOM 0 H ILE A 81 6.720 9.403 -0.795 1.00 10.00 H new ATOM 0 HA ILE A 81 9.593 8.744 -0.504 1.00 10.00 H new ATOM 0 HB ILE A 81 9.280 6.683 -1.660 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.315 6.874 -1.045 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.023 7.077 -2.635 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.485 5.383 0.342 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.578 6.712 0.796 1.00 10.00 H new ATOM 0 HG23 ILE A 81 7.821 6.887 1.025 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.189 4.766 -2.335 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.958 4.767 -2.528 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.240 4.562 -0.913 1.00 10.00 H new ATOM 1283 N PHE A 82 9.013 8.526 -3.430 1.00 10.00 N ATOM 1284 CA PHE A 82 9.120 9.018 -4.798 1.00 10.00 C ATOM 1285 C PHE A 82 7.841 9.729 -5.272 1.00 10.00 C ATOM 1286 O PHE A 82 6.800 9.685 -4.616 1.00 10.00 O ATOM 1287 CB PHE A 82 9.519 7.844 -5.713 1.00 10.00 C ATOM 1288 CG PHE A 82 8.794 6.526 -5.467 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.392 6.458 -5.565 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.523 5.353 -5.184 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.728 5.226 -5.450 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.857 4.119 -5.058 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.461 4.054 -5.207 1.00 10.00 C ATOM 0 H PHE A 82 9.182 7.523 -3.356 1.00 10.00 H new ATOM 0 HA PHE A 82 9.895 9.783 -4.842 1.00 10.00 H new ATOM 0 HB2 PHE A 82 9.348 8.142 -6.747 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.590 7.672 -5.604 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.822 7.360 -5.730 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.595 5.401 -5.064 1.00 10.00 H new ATOM 0 HE1 PHE A 82 5.653 5.180 -5.549 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.419 3.222 -4.847 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.953 3.104 -5.135 1.00 10.00 H new ATOM 1303 N ALA A 83 7.904 10.385 -6.435 1.00 10.00 N ATOM 1304 CA ALA A 83 6.798 11.146 -7.008 1.00 10.00 C ATOM 1305 C ALA A 83 5.740 10.220 -7.616 1.00 10.00 C ATOM 1306 O ALA A 83 5.475 10.268 -8.814 1.00 10.00 O ATOM 1307 CB ALA A 83 7.350 12.134 -8.042 1.00 10.00 C ATOM 0 H ALA A 83 8.744 10.400 -7.013 1.00 10.00 H new ATOM 0 HA ALA A 83 6.300 11.707 -6.217 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.528 12.706 -8.474 1.00 10.00 H new ATOM 0 HB2 ALA A 83 8.050 12.814 -7.557 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.864 11.585 -8.831 1.00 10.00 H new ATOM 1313 N GLY A 84 5.123 9.386 -6.778 1.00 10.00 N ATOM 1314 CA GLY A 84 4.219 8.346 -7.234 1.00 10.00 C ATOM 1315 C GLY A 84 4.967 7.283 -8.038 1.00 10.00 C ATOM 1316 O GLY A 84 6.184 7.353 -8.188 1.00 10.00 O ATOM 0 H GLY A 84 5.240 9.418 -5.765 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.731 7.882 -6.377 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.434 8.786 -7.849 1.00 10.00 H new ATOM 1320 N ILE A 85 4.240 6.270 -8.515 1.00 10.00 N ATOM 1321 CA ILE A 85 4.821 5.138 -9.226 1.00 10.00 C ATOM 1322 C ILE A 85 5.520 5.614 -10.501 1.00 10.00 C ATOM 1323 O ILE A 85 6.737 5.782 -10.524 1.00 10.00 O ATOM 1324 CB ILE A 85 3.731 4.059 -9.438 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.608 3.190 -8.199 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.862 3.132 -10.660 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.858 2.357 -7.947 1.00 10.00 C ATOM 0 H ILE A 85 3.226 6.215 -8.416 1.00 10.00 H new ATOM 0 HA ILE A 85 5.607 4.662 -8.639 1.00 10.00 H new ATOM 0 HB ILE A 85 2.843 4.658 -9.638 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.416 3.823 -7.333 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.749 2.528 -8.307 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.028 2.430 -10.676 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.851 3.729 -11.572 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.800 2.580 -10.599 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.719 1.754 -7.050 1.00 10.00 H new ATOM 0 HD12 ILE A 85 5.037 1.703 -8.800 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.714 3.018 -7.810 1.00 10.00 H new ATOM 1339 N LYS A 86 4.760 5.766 -11.584 1.00 10.00 N ATOM 1340 CA LYS A 86 5.257 6.225 -12.874 1.00 10.00 C ATOM 1341 C LYS A 86 4.240 7.166 -13.506 1.00 10.00 C ATOM 1342 O LYS A 86 4.572 8.268 -13.930 1.00 10.00 O ATOM 1343 CB LYS A 86 5.513 5.041 -13.818 1.00 10.00 C ATOM 1344 CG LYS A 86 6.229 3.856 -13.150 1.00 10.00 C ATOM 1345 CD LYS A 86 7.294 3.277 -14.078 1.00 10.00 C ATOM 1346 CE LYS A 86 8.646 3.959 -13.803 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.597 3.827 -14.926 1.00 10.00 N ATOM 0 H LYS A 86 3.759 5.568 -11.586 1.00 10.00 H new ATOM 0 HA LYS A 86 6.199 6.749 -12.713 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.560 4.697 -14.220 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.110 5.385 -14.662 1.00 10.00 H new ATOM 0 HG2 LYS A 86 6.690 4.182 -12.218 1.00 10.00 H new ATOM 0 HG3 LYS A 86 5.504 3.084 -12.894 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.380 2.202 -13.923 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.005 3.427 -15.118 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.478 5.016 -13.598 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.089 3.527 -12.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 10.488 4.305 -14.684 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 9.782 2.820 -15.107 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.191 4.263 -15.778 1.00 10.00 H new ATOM 1361 N LYS A 87 3.005 6.675 -13.607 1.00 10.00 N ATOM 1362 CA LYS A 87 1.855 7.338 -14.173 1.00 10.00 C ATOM 1363 C LYS A 87 0.649 6.481 -13.774 1.00 10.00 C ATOM 1364 O LYS A 87 0.672 5.816 -12.739 1.00 10.00 O ATOM 1365 CB LYS A 87 2.042 7.515 -15.693 1.00 10.00 C ATOM 1366 CG LYS A 87 2.179 6.183 -16.450 1.00 10.00 C ATOM 1367 CD LYS A 87 2.917 6.358 -17.779 1.00 10.00 C ATOM 1368 CE LYS A 87 4.435 6.461 -17.569 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.110 5.173 -17.822 1.00 10.00 N ATOM 0 H LYS A 87 2.778 5.740 -13.270 1.00 10.00 H new ATOM 0 HA LYS A 87 1.708 8.351 -13.799 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.192 8.067 -16.094 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.930 8.121 -15.874 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.715 5.465 -15.829 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.189 5.767 -16.636 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.695 5.515 -18.434 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.556 7.255 -18.282 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.843 7.222 -18.233 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.640 6.785 -16.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.085 5.348 -18.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.125 4.611 -16.947 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.596 4.651 -18.560 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.368 6.450 -14.628 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.689 5.908 -14.356 1.00 10.00 C ATOM 1385 C LYS A 88 -1.831 4.440 -14.742 1.00 10.00 C ATOM 1386 O LYS A 88 -2.770 3.798 -14.286 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.731 6.796 -15.057 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.622 6.746 -16.593 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.090 8.060 -17.236 1.00 10.00 C ATOM 1390 CE LYS A 88 -2.753 8.055 -18.736 1.00 10.00 C ATOM 1391 NZ LYS A 88 -3.262 9.256 -19.434 1.00 10.00 N ATOM 0 H LYS A 88 -0.287 6.821 -15.575 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.855 5.923 -13.279 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.731 6.481 -14.758 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.608 7.826 -14.722 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -1.589 6.548 -16.879 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.222 5.920 -16.974 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.164 8.182 -17.096 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -2.607 8.907 -16.748 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -1.672 7.996 -18.862 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.177 7.163 -19.198 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -3.009 9.205 -20.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -4.297 9.301 -19.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -2.838 10.108 -19.013 1.00 10.00 H new ATOM 1405 N THR A 89 -0.922 3.932 -15.575 1.00 10.00 N ATOM 1406 CA THR A 89 -0.932 2.576 -16.095 1.00 10.00 C ATOM 1407 C THR A 89 -0.282 1.646 -15.068 1.00 10.00 C ATOM 1408 O THR A 89 -0.956 0.838 -14.434 1.00 10.00 O ATOM 1409 CB THR A 89 -0.190 2.591 -17.442 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.703 3.648 -18.233 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.330 1.266 -18.195 1.00 10.00 C ATOM 0 H THR A 89 -0.131 4.479 -15.915 1.00 10.00 H new ATOM 0 HA THR A 89 -1.943 2.205 -16.264 1.00 10.00 H new ATOM 0 HB THR A 89 0.872 2.738 -17.244 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.236 3.669 -19.094 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.211 1.325 -19.140 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.083 0.459 -17.591 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.384 1.069 -18.392 1.00 10.00 H new ATOM 1419 N GLU A 90 1.026 1.804 -14.861 1.00 10.00 N ATOM 1420 CA GLU A 90 1.818 1.008 -13.948 1.00 10.00 C ATOM 1421 C GLU A 90 1.165 0.822 -12.579 1.00 10.00 C ATOM 1422 O GLU A 90 1.122 -0.287 -12.057 1.00 10.00 O ATOM 1423 CB GLU A 90 3.162 1.714 -13.786 1.00 10.00 C ATOM 1424 CG GLU A 90 4.094 1.468 -14.986 1.00 10.00 C ATOM 1425 CD GLU A 90 4.045 2.594 -16.004 1.00 10.00 C ATOM 1426 OE1 GLU A 90 2.953 3.162 -16.206 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.117 2.955 -16.537 1.00 10.00 O ATOM 0 H GLU A 90 1.573 2.516 -15.345 1.00 10.00 H new ATOM 0 HA GLU A 90 1.924 0.007 -14.365 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.997 2.785 -13.670 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.646 1.365 -12.874 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.117 1.351 -14.629 1.00 10.00 H new ATOM 0 HG3 GLU A 90 3.816 0.532 -15.471 1.00 10.00 H new ATOM 1434 N ARG A 91 0.681 1.900 -11.960 1.00 10.00 N ATOM 1435 CA ARG A 91 0.012 1.784 -10.676 1.00 10.00 C ATOM 1436 C ARG A 91 -1.193 0.846 -10.764 1.00 10.00 C ATOM 1437 O ARG A 91 -1.444 0.055 -9.858 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.385 3.168 -10.173 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.302 4.015 -11.067 1.00 10.00 C ATOM 1440 CD ARG A 91 -2.807 3.891 -10.761 1.00 10.00 C ATOM 1441 NE ARG A 91 -3.552 4.976 -11.421 1.00 10.00 N ATOM 1442 CZ ARG A 91 -3.502 6.257 -11.018 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.075 6.574 -9.799 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.828 7.261 -11.834 1.00 10.00 N ATOM 0 H ARG A 91 0.741 2.850 -12.327 1.00 10.00 H new ATOM 0 HA ARG A 91 0.703 1.344 -9.957 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -0.877 3.046 -9.208 1.00 10.00 H new ATOM 0 HB3 ARG A 91 0.529 3.736 -9.996 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.012 5.061 -10.971 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -1.134 3.732 -12.106 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -3.177 2.925 -11.105 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -2.971 3.930 -9.684 1.00 10.00 H new ATOM 0 HE ARG A 91 -4.136 4.744 -12.225 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -2.780 5.840 -9.155 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.043 7.551 -9.508 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.124 7.065 -12.790 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.781 8.224 -11.502 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.929 0.933 -11.871 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.111 0.111 -12.110 1.00 10.00 C ATOM 1460 C GLU A 92 -2.684 -1.358 -12.187 1.00 10.00 C ATOM 1461 O GLU A 92 -3.293 -2.245 -11.583 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.806 0.587 -13.400 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.321 0.747 -13.237 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.012 -0.599 -13.103 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.074 -1.297 -14.140 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.437 -0.924 -11.977 1.00 10.00 O ATOM 0 H GLU A 92 -1.719 1.580 -12.631 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.829 0.209 -11.295 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.376 1.540 -13.708 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.605 -0.126 -14.199 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.531 1.354 -12.356 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.726 1.281 -14.097 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.586 -1.604 -12.906 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.998 -2.937 -13.006 1.00 10.00 C ATOM 1475 C ASP A 93 -0.675 -3.434 -11.596 1.00 10.00 C ATOM 1476 O ASP A 93 -1.050 -4.535 -11.191 1.00 10.00 O ATOM 1477 CB ASP A 93 0.249 -2.918 -13.905 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.022 -2.664 -15.383 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.161 -2.935 -15.823 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.935 -2.224 -16.057 1.00 10.00 O ATOM 0 H ASP A 93 -1.084 -0.888 -13.431 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.707 -3.623 -13.470 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.930 -2.149 -13.539 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.764 -3.873 -13.805 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.013 -2.576 -10.823 1.00 10.00 N ATOM 1486 CA LEU A 94 0.295 -2.810 -9.423 1.00 10.00 C ATOM 1487 C LEU A 94 -0.944 -3.285 -8.655 1.00 10.00 C ATOM 1488 O LEU A 94 -0.928 -4.384 -8.097 1.00 10.00 O ATOM 1489 CB LEU A 94 0.916 -1.539 -8.823 1.00 10.00 C ATOM 1490 CG LEU A 94 2.171 -1.850 -8.012 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.911 -0.552 -7.697 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.832 -2.557 -6.714 1.00 10.00 C ATOM 0 H LEU A 94 0.330 -1.679 -11.166 1.00 10.00 H new ATOM 0 HA LEU A 94 1.025 -3.614 -9.337 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.164 -0.843 -9.624 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.184 -1.043 -8.185 1.00 10.00 H new ATOM 0 HG LEU A 94 2.801 -2.510 -8.608 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.807 -0.775 -7.118 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.194 -0.059 -8.627 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.261 0.107 -7.121 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.749 -2.763 -6.162 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.181 -1.922 -6.113 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.322 -3.495 -6.933 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.017 -2.479 -8.645 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.290 -2.832 -8.024 1.00 10.00 C ATOM 1506 C ILE A 95 -3.737 -4.228 -8.458 1.00 10.00 C ATOM 1507 O ILE A 95 -4.103 -5.042 -7.609 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.364 -1.755 -8.314 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.367 -0.670 -7.231 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.792 -2.325 -8.376 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.166 0.265 -7.288 1.00 10.00 C ATOM 0 H ILE A 95 -2.018 -1.554 -9.075 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.153 -2.861 -6.943 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.094 -1.346 -9.288 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.279 -0.080 -7.325 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.396 -1.148 -6.252 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.497 -1.519 -8.582 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.852 -3.071 -9.168 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.040 -2.789 -7.421 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.242 1.004 -6.490 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.250 -0.312 -7.163 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.146 0.773 -8.252 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.730 -4.502 -9.766 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.161 -5.792 -10.290 1.00 10.00 C ATOM 1525 C ALA A 96 -3.434 -6.952 -9.617 1.00 10.00 C ATOM 1526 O ALA A 96 -4.087 -7.887 -9.154 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.997 -5.848 -11.806 1.00 10.00 C ATOM 0 H ALA A 96 -3.428 -3.840 -10.481 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.221 -5.898 -10.058 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.326 -6.821 -12.172 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.599 -5.065 -12.266 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.949 -5.698 -12.064 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.100 -6.907 -9.547 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.381 -7.930 -8.796 1.00 10.00 C ATOM 1535 C TYR A 97 -1.868 -7.951 -7.356 1.00 10.00 C ATOM 1536 O TYR A 97 -2.319 -8.982 -6.859 1.00 10.00 O ATOM 1537 CB TYR A 97 0.127 -7.692 -8.815 1.00 10.00 C ATOM 1538 CG TYR A 97 0.908 -8.622 -7.906 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.891 -10.009 -8.145 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.690 -8.104 -6.857 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.675 -10.870 -7.359 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.525 -8.960 -6.118 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.491 -10.346 -6.344 1.00 10.00 C ATOM 1544 OH TYR A 97 3.298 -11.184 -5.636 1.00 10.00 O ATOM 0 H TYR A 97 -1.515 -6.196 -9.987 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.579 -8.889 -9.274 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.490 -7.808 -9.836 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.326 -6.661 -8.521 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.274 -10.412 -8.934 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.649 -7.051 -6.620 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.650 -11.935 -7.536 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.194 -8.551 -5.375 1.00 10.00 H new ATOM 0 HH TYR A 97 3.801 -10.669 -4.971 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.736 -6.803 -6.696 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.031 -6.629 -5.285 1.00 10.00 C ATOM 1556 C LEU A 98 -3.349 -7.300 -4.877 1.00 10.00 C ATOM 1557 O LEU A 98 -3.362 -8.069 -3.914 1.00 10.00 O ATOM 1558 CB LEU A 98 -1.985 -5.129 -4.940 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.941 -4.811 -3.859 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.119 -3.841 -4.362 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.578 -4.237 -2.608 1.00 10.00 C ATOM 0 H LEU A 98 -1.411 -5.947 -7.145 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.267 -7.138 -4.697 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.758 -4.558 -5.840 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -2.969 -4.807 -4.598 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.467 -5.761 -3.613 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.838 -3.643 -3.567 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.635 -4.277 -5.217 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.356 -2.907 -4.663 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.804 -4.027 -1.870 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.102 -3.314 -2.857 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.286 -4.957 -2.197 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.435 -7.045 -5.620 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.729 -7.695 -5.406 1.00 10.00 C ATOM 1575 C LYS A 99 -5.585 -9.193 -5.132 1.00 10.00 C ATOM 1576 O LYS A 99 -6.048 -9.682 -4.099 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.663 -7.483 -6.608 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.302 -6.093 -6.593 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.437 -6.008 -7.623 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.076 -4.619 -7.520 1.00 10.00 C ATOM 1581 NZ LYS A 99 -10.215 -4.411 -8.436 1.00 10.00 N ATOM 0 H LYS A 99 -4.437 -6.377 -6.391 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.165 -7.227 -4.524 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.101 -7.615 -7.533 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.445 -8.243 -6.599 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.690 -5.876 -5.598 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.547 -5.338 -6.812 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.051 -6.175 -8.629 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.180 -6.783 -7.434 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.414 -4.461 -6.496 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.316 -3.865 -7.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.646 -3.483 -8.249 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.880 -4.445 -9.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.923 -5.158 -8.285 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.951 -9.912 -6.061 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.718 -11.330 -5.934 1.00 10.00 C ATOM 1597 C LYS A 100 -3.736 -11.546 -4.787 1.00 10.00 C ATOM 1598 O LYS A 100 -4.075 -12.199 -3.809 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.219 -11.852 -7.286 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.775 -13.317 -7.238 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.640 -14.260 -8.091 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.951 -14.639 -7.386 1.00 10.00 C ATOM 1603 NZ LYS A 100 -5.725 -15.626 -6.311 1.00 10.00 N ATOM 0 H LYS A 100 -4.587 -9.512 -6.925 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.621 -11.890 -5.690 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -5.012 -11.743 -8.026 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.384 -11.236 -7.621 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.741 -13.384 -7.576 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.795 -13.659 -6.203 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.867 -13.781 -9.043 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -4.075 -15.165 -8.316 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.412 -13.744 -6.968 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.651 -15.048 -8.114 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -6.227 -16.508 -6.538 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -4.707 -15.819 -6.226 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -6.082 -15.247 -5.411 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.529 -10.991 -4.911 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.396 -11.281 -4.045 1.00 10.00 C ATOM 1619 C ALA A 101 -1.799 -11.245 -2.575 1.00 10.00 C ATOM 1620 O ALA A 101 -1.609 -12.206 -1.835 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.284 -10.273 -4.330 1.00 10.00 C ATOM 0 H ALA A 101 -2.312 -10.309 -5.638 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.036 -12.289 -4.253 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.570 -10.482 -3.686 1.00 10.00 H new ATOM 0 HB2 ALA A 101 0.021 -10.353 -5.374 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.648 -9.264 -4.134 1.00 10.00 H new ATOM 1627 N THR A 102 -2.425 -10.140 -2.174 1.00 10.00 N ATOM 1628 CA THR A 102 -2.867 -9.924 -0.808 1.00 10.00 C ATOM 1629 C THR A 102 -3.723 -11.067 -0.276 1.00 10.00 C ATOM 1630 O THR A 102 -3.665 -11.370 0.913 1.00 10.00 O ATOM 1631 CB THR A 102 -3.673 -8.632 -0.742 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.757 -8.653 -1.656 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.754 -7.439 -0.986 1.00 10.00 C ATOM 0 H THR A 102 -2.639 -9.364 -2.800 1.00 10.00 H new ATOM 0 HA THR A 102 -1.974 -9.866 -0.185 1.00 10.00 H new ATOM 0 HB THR A 102 -4.104 -8.537 0.255 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.446 -8.361 -2.539 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.334 -6.517 -0.938 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.975 -7.418 -0.224 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.295 -7.528 -1.971 1.00 10.00 H new ATOM 1641 N ASN A 103 -4.548 -11.650 -1.140 1.00 10.00 N ATOM 1642 CA ASN A 103 -5.504 -12.691 -0.816 1.00 10.00 C ATOM 1643 C ASN A 103 -4.964 -14.077 -1.190 1.00 10.00 C ATOM 1644 O ASN A 103 -5.633 -15.071 -0.913 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.802 -12.370 -1.567 1.00 10.00 C ATOM 1646 CG ASN A 103 -7.634 -11.326 -0.830 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.313 -11.644 0.141 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -7.603 -10.072 -1.271 1.00 10.00 N ATOM 0 H ASN A 103 -4.565 -11.395 -2.127 1.00 10.00 H new ATOM 0 HA ASN A 103 -5.689 -12.717 0.258 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -6.564 -12.007 -2.567 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -7.387 -13.282 -1.690 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -8.151 -9.352 -0.800 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -7.031 -9.830 -2.080 1.00 10.00 H new ATOM 1655 N GLU A 104 -3.763 -14.133 -1.782 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.231 -15.236 -2.552 1.00 10.00 C ATOM 1657 C GLU A 104 -4.078 -15.462 -3.816 1.00 10.00 C ATOM 1658 O GLU A 104 -3.515 -15.796 -4.882 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.014 -16.474 -1.670 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.535 -16.895 -1.643 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.273 -18.072 -0.708 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -1.011 -17.809 0.487 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -1.311 -19.219 -1.204 1.00 10.00 O ATOM 1664 OXT GLU A 104 -5.307 -15.224 -3.821 1.00 10.00 O ATOM 0 H GLU A 104 -3.106 -13.355 -1.725 1.00 10.00 H new ATOM 0 HA GLU A 104 -2.234 -14.991 -2.918 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.352 -16.263 -0.655 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.621 -17.299 -2.043 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.219 -17.161 -2.652 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -0.926 -16.046 -1.331 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 4.104 5.063 1.117 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.409 3.781 0.831 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.651 2.933 1.546 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.803 3.743 2.298 1.00 10.00 C HETATM 1676 C5 IMD A 105 3.087 5.057 2.046 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.547 5.890 0.717 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.604 5.927 2.492 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.033 3.385 2.981 1.00 10.00 H new HETATM 0 H2 IMD A 105 5.170 3.473 0.114 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.768 0.971 1.672 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.327 1.101 4.122 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.377 0.188 -0.632 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.171 1.022 -0.756 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.191 1.230 4.070 1.00 10.00 C HETATM 1686 NA HEC A 110 1.743 0.716 1.730 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.947 0.838 2.833 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.428 0.646 2.428 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.411 0.365 1.081 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.972 0.417 0.659 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.597 0.059 0.185 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.646 0.849 3.307 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.925 -0.267 4.327 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.817 0.214 5.486 1.00 10.00 C HETATM 1695 O1A HEC A 110 -2.371 1.144 6.190 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.942 -0.310 5.655 1.00 10.00 O HETATM 1697 NB HEC A 110 3.773 0.689 -0.296 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.688 0.331 -1.036 1.00 10.00 C HETATM 1699 C2B HEC A 110 3.132 0.076 -2.387 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.467 0.398 -2.445 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.870 0.744 -1.102 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.303 -0.515 -3.504 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.344 0.402 -3.685 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.707 1.194 -4.836 1.00 10.00 C HETATM 1705 NC HEC A 110 5.795 1.161 1.650 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.572 1.161 0.544 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.952 1.305 0.941 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.970 1.251 2.318 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.583 1.222 2.749 1.00 10.00 C HETATM 1710 CMC HEC A 110 9.140 1.436 0.008 1.00 10.00 C HETATM 1711 CAC HEC A 110 9.173 1.046 3.230 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.550 1.543 2.770 1.00 10.00 C HETATM 1713 ND HEC A 110 3.758 1.135 3.698 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.871 1.245 4.470 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.451 1.386 5.846 1.00 10.00 C HETATM 1716 C3D HEC A 110 3.079 1.374 5.854 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.646 1.202 4.490 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.317 1.630 7.061 1.00 10.00 C HETATM 1719 CAD HEC A 110 2.201 1.631 7.059 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.657 3.069 7.135 1.00 10.00 C HETATM 1721 CGD HEC A 110 2.341 4.037 6.160 1.00 10.00 C HETATM 1722 O1D HEC A 110 3.501 4.427 6.424 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.707 4.319 5.116 1.00 10.00 O HETATM 0 HMD3 HEC A 110 6.029 0.812 7.171 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.859 2.568 6.939 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.689 1.687 7.950 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.204 0.552 -0.626 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 9.017 2.321 -0.616 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 10.054 1.530 0.594 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.960 -1.509 -3.216 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.441 0.125 -3.695 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.909 -0.587 -4.407 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.112 -0.828 0.553 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.284 0.905 0.189 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.248 -0.120 -0.832 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.587 3.055 6.929 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 1.781 3.442 8.152 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.825 1.045 1.840 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.512 2.620 2.607 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.292 1.318 3.536 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.748 0.747 -5.098 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.552 2.227 -4.525 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.368 1.171 -5.703 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.407 -1.105 3.823 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -0.980 -0.636 4.727 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.362 0.935 7.041 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.771 1.420 7.964 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.529 1.789 3.847 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.521 0.957 2.665 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.964 1.224 4.839 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.911 1.136 -1.548 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.633 -0.119 -1.367 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.557 1.235 4.881 1.00 10.00 H new HETATM 0 H2D HEC A 110 0.757 4.426 5.329 1.00 10.00 H new HETATM 0 H2A HEC A 110 -4.337 -0.525 4.784 1.00 10.00 H new