USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=24 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 55 LYS NZ :NH3+ 171:sc= 0.531 (180deg=-0.0302) USER MOD Set 1.2: A 67 TYR OH : rot 162:sc= 1.65 USER MOD Set 1.3: A 78 THR OG1 : rot 31:sc= 0.993 USER MOD Set 1.4: A 110 HEC O2D : rot -120:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ -124:sc= -0.0754! (180deg=-7.52!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -120:sc= 0.996 (180deg=-1.44!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.65 (180deg=1.47) USER MOD Single : A 16 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.2!) USER MOD Single : A 19 THR OG1 : rot 170:sc= 0.455 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 HD1:sc= -0.465 K(o=-0.46,f=-1.7) 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= 0.268 K(o=0.27,f=-2.7!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.934 (180deg=0.847) USER MOD Single : A 40 THR OG1 : rot 150:sc= -0.121 USER MOD Single : A 42 GLN : amide:sc= -0.862 K(o=-0.86,f=-1.8!) 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 49 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 52 ASN : amide:sc= 0.412 K(o=0.41,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0859 K(o=-0.086,f=-0.62) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.4) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 0.0634 (180deg=-0.407) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 55:sc= 0.873 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 169:sc= 0 (180deg=-0.0516) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= -0.567! (180deg=-1.07!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -64:sc= 1.29 USER MOD Single : A 103 ASN : amide:sc=-0.00453 K(o=-0.0045,f=-0.61) USER MOD Single : A 110 HEC O2A : rot -120:sc= -0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.122 -4.418 -14.564 1.00 10.00 N ATOM 2 CA GLY A 1 -3.843 -4.308 -15.220 1.00 10.00 C ATOM 3 C GLY A 1 -3.427 -5.741 -15.485 1.00 10.00 C ATOM 4 O GLY A 1 -4.267 -6.639 -15.415 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.832 -3.873 -15.094 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.409 -5.417 -14.528 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.049 -4.044 -13.596 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.920 -3.739 -16.147 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.117 -3.794 -14.590 1.00 10.00 H new ATOM 10 N ASP A 2 -2.148 -5.927 -15.669 1.00 10.00 N ATOM 11 CA ASP A 2 -1.481 -7.210 -15.806 1.00 10.00 C ATOM 12 C ASP A 2 -0.930 -7.654 -14.453 1.00 10.00 C ATOM 13 O ASP A 2 -0.170 -6.921 -13.823 1.00 10.00 O ATOM 14 CB ASP A 2 -0.337 -7.121 -16.815 1.00 10.00 C ATOM 15 CG ASP A 2 0.022 -8.512 -17.302 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.236 -9.365 -16.413 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.072 -8.701 -18.533 1.00 10.00 O ATOM 0 H ASP A 2 -1.497 -5.144 -15.732 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.209 -7.938 -16.164 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.630 -6.494 -17.657 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.532 -6.651 -16.354 1.00 10.00 H new ATOM 22 N VAL A 3 -1.288 -8.856 -14.005 1.00 10.00 N ATOM 23 CA VAL A 3 -0.755 -9.441 -12.783 1.00 10.00 C ATOM 24 C VAL A 3 0.769 -9.598 -12.890 1.00 10.00 C ATOM 25 O VAL A 3 1.481 -9.334 -11.920 1.00 10.00 O ATOM 26 CB VAL A 3 -1.454 -10.789 -12.516 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.015 -11.439 -11.194 1.00 10.00 C ATOM 28 CG2 VAL A 3 -2.981 -10.622 -12.486 1.00 10.00 C ATOM 0 H VAL A 3 -1.961 -9.453 -14.486 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.953 -8.781 -11.938 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.157 -11.441 -13.338 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.541 -12.385 -11.061 1.00 10.00 H new ATOM 0 HG12 VAL A 3 0.059 -11.621 -11.217 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.252 -10.773 -10.365 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.449 -11.588 -12.296 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.255 -9.924 -11.695 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.324 -10.235 -13.446 1.00 10.00 H new ATOM 38 N GLU A 4 1.291 -10.024 -14.045 1.00 10.00 N ATOM 39 CA GLU A 4 2.724 -10.208 -14.211 1.00 10.00 C ATOM 40 C GLU A 4 3.426 -8.872 -14.037 1.00 10.00 C ATOM 41 O GLU A 4 4.294 -8.734 -13.173 1.00 10.00 O ATOM 42 CB GLU A 4 3.065 -10.803 -15.583 1.00 10.00 C ATOM 43 CG GLU A 4 3.151 -12.332 -15.587 1.00 10.00 C ATOM 44 CD GLU A 4 4.541 -12.800 -15.991 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.420 -12.785 -15.100 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.752 -13.056 -17.191 1.00 10.00 O ATOM 0 H GLU A 4 0.738 -10.246 -14.873 1.00 10.00 H new ATOM 0 HA GLU A 4 3.067 -10.912 -13.453 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.310 -10.489 -16.303 1.00 10.00 H new ATOM 0 HB3 GLU A 4 4.017 -10.394 -15.920 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.908 -12.716 -14.596 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.412 -12.739 -16.277 1.00 10.00 H new ATOM 53 N LYS A 5 3.073 -7.883 -14.860 1.00 10.00 N ATOM 54 CA LYS A 5 3.694 -6.580 -14.721 1.00 10.00 C ATOM 55 C LYS A 5 3.484 -6.064 -13.303 1.00 10.00 C ATOM 56 O LYS A 5 4.430 -5.581 -12.699 1.00 10.00 O ATOM 57 CB LYS A 5 3.229 -5.588 -15.781 1.00 10.00 C ATOM 58 CG LYS A 5 3.855 -5.894 -17.149 1.00 10.00 C ATOM 59 CD LYS A 5 4.359 -4.604 -17.816 1.00 10.00 C ATOM 60 CE LYS A 5 5.745 -4.212 -17.275 1.00 10.00 C ATOM 61 NZ LYS A 5 6.149 -2.858 -17.709 1.00 10.00 N ATOM 0 H LYS A 5 2.381 -7.961 -15.606 1.00 10.00 H new ATOM 0 HA LYS A 5 4.765 -6.692 -14.893 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.142 -5.622 -15.861 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.495 -4.576 -15.476 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.682 -6.594 -17.028 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.119 -6.378 -17.791 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.412 -4.745 -18.896 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.651 -3.795 -17.634 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.734 -4.255 -16.186 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.485 -4.937 -17.615 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.088 -2.635 -17.322 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.185 -2.823 -18.748 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.458 -2.162 -17.363 1.00 10.00 H new ATOM 75 N GLY A 6 2.289 -6.230 -12.741 1.00 10.00 N ATOM 76 CA GLY A 6 1.994 -5.879 -11.366 1.00 10.00 C ATOM 77 C GLY A 6 2.986 -6.464 -10.366 1.00 10.00 C ATOM 78 O GLY A 6 3.471 -5.756 -9.482 1.00 10.00 O ATOM 0 H GLY A 6 1.490 -6.619 -13.242 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.989 -4.793 -11.269 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.991 -6.226 -11.117 1.00 10.00 H new ATOM 82 N LYS A 7 3.285 -7.759 -10.495 1.00 10.00 N ATOM 83 CA LYS A 7 4.202 -8.448 -9.612 1.00 10.00 C ATOM 84 C LYS A 7 5.558 -7.780 -9.760 1.00 10.00 C ATOM 85 O LYS A 7 6.163 -7.352 -8.779 1.00 10.00 O ATOM 86 CB LYS A 7 4.240 -9.948 -9.953 1.00 10.00 C ATOM 87 CG LYS A 7 5.281 -10.698 -9.107 1.00 10.00 C ATOM 88 CD LYS A 7 5.407 -12.174 -9.516 1.00 10.00 C ATOM 89 CE LYS A 7 4.554 -13.087 -8.623 1.00 10.00 C ATOM 90 NZ LYS A 7 4.754 -14.518 -8.938 1.00 10.00 N ATOM 0 H LYS A 7 2.890 -8.354 -11.223 1.00 10.00 H new ATOM 0 HA LYS A 7 3.884 -8.382 -8.572 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.255 -10.384 -9.788 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.471 -10.075 -11.011 1.00 10.00 H new ATOM 0 HG2 LYS A 7 6.250 -10.210 -9.210 1.00 10.00 H new ATOM 0 HG3 LYS A 7 5.004 -10.637 -8.055 1.00 10.00 H new ATOM 0 HD2 LYS A 7 5.099 -12.291 -10.555 1.00 10.00 H new ATOM 0 HD3 LYS A 7 6.451 -12.480 -9.457 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.805 -12.908 -7.578 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.501 -12.833 -8.746 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.159 -15.098 -8.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.490 -14.696 -9.928 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.753 -14.768 -8.796 1.00 10.00 H new ATOM 104 N LYS A 8 6.032 -7.691 -11.003 1.00 10.00 N ATOM 105 CA LYS A 8 7.350 -7.151 -11.255 1.00 10.00 C ATOM 106 C LYS A 8 7.430 -5.722 -10.720 1.00 10.00 C ATOM 107 O LYS A 8 8.404 -5.371 -10.069 1.00 10.00 O ATOM 108 CB LYS A 8 7.732 -7.261 -12.739 1.00 10.00 C ATOM 109 CG LYS A 8 8.345 -8.623 -13.118 1.00 10.00 C ATOM 110 CD LYS A 8 7.463 -9.811 -12.709 1.00 10.00 C ATOM 111 CE LYS A 8 7.683 -11.080 -13.543 1.00 10.00 C ATOM 112 NZ LYS A 8 7.139 -10.948 -14.910 1.00 10.00 N ATOM 0 H LYS A 8 5.523 -7.985 -11.837 1.00 10.00 H new ATOM 0 HA LYS A 8 8.090 -7.746 -10.719 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.844 -7.089 -13.348 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.443 -6.471 -12.982 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.510 -8.654 -14.195 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.321 -8.721 -12.643 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.650 -10.043 -11.661 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.417 -9.516 -12.788 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.750 -11.297 -13.597 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.210 -11.927 -13.045 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 6.414 -11.677 -15.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.713 -10.006 -15.025 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.906 -11.067 -15.602 1.00 10.00 H new ATOM 126 N ILE A 9 6.401 -4.905 -10.936 1.00 10.00 N ATOM 127 CA ILE A 9 6.329 -3.554 -10.424 1.00 10.00 C ATOM 128 C ILE A 9 6.441 -3.584 -8.905 1.00 10.00 C ATOM 129 O ILE A 9 7.363 -2.982 -8.370 1.00 10.00 O ATOM 130 CB ILE A 9 5.047 -2.868 -10.928 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.130 -2.589 -12.439 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.807 -1.537 -10.215 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.740 -2.325 -13.022 1.00 10.00 C ATOM 0 H ILE A 9 5.583 -5.176 -11.482 1.00 10.00 H new ATOM 0 HA ILE A 9 7.163 -2.958 -10.795 1.00 10.00 H new ATOM 0 HB ILE A 9 4.224 -3.551 -10.716 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.774 -1.728 -12.619 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.586 -3.440 -12.946 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.894 -1.080 -10.595 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.707 -1.711 -9.144 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.649 -0.870 -10.397 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.825 -2.130 -14.091 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.106 -3.197 -12.861 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.297 -1.459 -12.530 1.00 10.00 H new ATOM 145 N PHE A 10 5.543 -4.281 -8.207 1.00 10.00 N ATOM 146 CA PHE A 10 5.609 -4.404 -6.755 1.00 10.00 C ATOM 147 C PHE A 10 7.048 -4.692 -6.298 1.00 10.00 C ATOM 148 O PHE A 10 7.576 -4.025 -5.406 1.00 10.00 O ATOM 149 CB PHE A 10 4.626 -5.488 -6.298 1.00 10.00 C ATOM 150 CG PHE A 10 4.627 -5.729 -4.805 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.897 -4.881 -3.953 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.414 -6.761 -4.259 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.906 -5.101 -2.566 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.438 -6.968 -2.870 1.00 10.00 C ATOM 155 CZ PHE A 10 4.653 -6.162 -2.030 1.00 10.00 C ATOM 0 H PHE A 10 4.756 -4.772 -8.631 1.00 10.00 H new ATOM 0 HA PHE A 10 5.319 -3.462 -6.290 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.620 -5.207 -6.610 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.868 -6.421 -6.807 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.329 -4.060 -4.366 1.00 10.00 H new ATOM 0 HD2 PHE A 10 6.000 -7.394 -4.909 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.339 -4.455 -1.912 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.059 -7.745 -2.449 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.624 -6.359 -0.968 1.00 10.00 H new ATOM 165 N VAL A 11 7.706 -5.639 -6.971 1.00 10.00 N ATOM 166 CA VAL A 11 9.077 -6.031 -6.669 1.00 10.00 C ATOM 167 C VAL A 11 10.123 -4.985 -7.088 1.00 10.00 C ATOM 168 O VAL A 11 11.194 -4.899 -6.495 1.00 10.00 O ATOM 169 CB VAL A 11 9.358 -7.417 -7.269 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.802 -7.872 -7.021 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.402 -8.429 -6.633 1.00 10.00 C ATOM 0 H VAL A 11 7.295 -6.158 -7.747 1.00 10.00 H new ATOM 0 HA VAL A 11 9.173 -6.090 -5.585 1.00 10.00 H new ATOM 0 HB VAL A 11 9.209 -7.355 -8.347 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.954 -8.857 -7.463 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.491 -7.160 -7.475 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.988 -7.923 -5.948 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.590 -9.419 -7.050 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.562 -8.453 -5.555 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.373 -8.137 -6.841 1.00 10.00 H new ATOM 181 N GLN A 12 9.850 -4.201 -8.125 1.00 10.00 N ATOM 182 CA GLN A 12 10.764 -3.193 -8.649 1.00 10.00 C ATOM 183 C GLN A 12 10.489 -1.816 -8.046 1.00 10.00 C ATOM 184 O GLN A 12 11.184 -0.857 -8.377 1.00 10.00 O ATOM 185 CB GLN A 12 10.631 -3.151 -10.170 1.00 10.00 C ATOM 186 CG GLN A 12 11.095 -4.486 -10.783 1.00 10.00 C ATOM 187 CD GLN A 12 12.597 -4.511 -11.033 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.060 -4.074 -12.080 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.370 -5.028 -10.081 1.00 10.00 N ATOM 0 H GLN A 12 8.968 -4.250 -8.636 1.00 10.00 H new ATOM 0 HA GLN A 12 11.783 -3.464 -8.373 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.595 -2.957 -10.446 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.227 -2.332 -10.572 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.826 -5.304 -10.115 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.569 -4.655 -11.722 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.952 -5.383 -9.221 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.381 -5.069 -10.211 1.00 10.00 H new ATOM 198 N LYS A 13 9.456 -1.701 -7.208 1.00 10.00 N ATOM 199 CA LYS A 13 9.050 -0.454 -6.593 1.00 10.00 C ATOM 200 C LYS A 13 9.151 -0.524 -5.073 1.00 10.00 C ATOM 201 O LYS A 13 9.695 0.395 -4.463 1.00 10.00 O ATOM 202 CB LYS A 13 7.610 -0.132 -6.993 1.00 10.00 C ATOM 203 CG LYS A 13 7.435 0.122 -8.494 1.00 10.00 C ATOM 204 CD LYS A 13 8.252 1.287 -9.057 1.00 10.00 C ATOM 205 CE LYS A 13 8.233 2.538 -8.161 1.00 10.00 C ATOM 206 NZ LYS A 13 8.887 3.697 -8.803 1.00 10.00 N ATOM 0 H LYS A 13 8.873 -2.493 -6.938 1.00 10.00 H new ATOM 0 HA LYS A 13 9.721 0.331 -6.943 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.965 -0.958 -6.695 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.276 0.748 -6.442 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.706 -0.785 -9.034 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.380 0.309 -8.694 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.284 0.964 -9.195 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.866 1.549 -10.042 1.00 10.00 H new ATOM 0 HE2 LYS A 13 7.201 2.794 -7.919 1.00 10.00 H new ATOM 0 HE3 LYS A 13 8.735 2.316 -7.219 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 8.662 4.562 -8.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.917 3.554 -8.811 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 8.543 3.792 -9.780 1.00 10.00 H new ATOM 220 N CYS A 14 8.574 -1.567 -4.468 1.00 10.00 N ATOM 221 CA CYS A 14 8.481 -1.708 -3.023 1.00 10.00 C ATOM 222 C CYS A 14 9.389 -2.868 -2.589 1.00 10.00 C ATOM 223 O CYS A 14 10.512 -2.624 -2.153 1.00 10.00 O ATOM 224 CB CYS A 14 7.030 -1.811 -2.556 1.00 10.00 C ATOM 225 SG CYS A 14 5.746 -1.599 -3.858 1.00 10.00 S ATOM 0 H CYS A 14 8.155 -2.343 -4.980 1.00 10.00 H new ATOM 0 HA CYS A 14 8.845 -0.811 -2.522 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.888 -2.785 -2.089 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.864 -1.060 -1.784 1.00 10.00 H new ATOM 230 N ALA A 15 8.926 -4.116 -2.738 1.00 10.00 N ATOM 231 CA ALA A 15 9.581 -5.367 -2.338 1.00 10.00 C ATOM 232 C ALA A 15 10.264 -5.362 -0.970 1.00 10.00 C ATOM 233 O ALA A 15 9.787 -5.977 -0.023 1.00 10.00 O ATOM 234 CB ALA A 15 10.560 -5.848 -3.417 1.00 10.00 C ATOM 0 H ALA A 15 8.019 -4.290 -3.172 1.00 10.00 H new ATOM 0 HA ALA A 15 8.754 -6.069 -2.233 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.031 -6.776 -3.094 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.020 -6.020 -4.348 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.326 -5.090 -3.577 1.00 10.00 H new ATOM 240 N GLN A 16 11.415 -4.708 -0.839 1.00 10.00 N ATOM 241 CA GLN A 16 12.193 -4.693 0.380 1.00 10.00 C ATOM 242 C GLN A 16 11.583 -3.713 1.392 1.00 10.00 C ATOM 243 O GLN A 16 12.293 -2.909 1.991 1.00 10.00 O ATOM 244 CB GLN A 16 13.647 -4.381 0.013 1.00 10.00 C ATOM 245 CG GLN A 16 13.817 -3.013 -0.674 1.00 10.00 C ATOM 246 CD GLN A 16 14.866 -2.107 -0.026 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.415 -2.393 1.033 1.00 10.00 O ATOM 248 NE2 GLN A 16 15.168 -0.985 -0.672 1.00 10.00 N ATOM 0 H GLN A 16 11.834 -4.166 -1.595 1.00 10.00 H new ATOM 0 HA GLN A 16 12.177 -5.664 0.874 1.00 10.00 H new ATOM 0 HB2 GLN A 16 14.257 -4.405 0.916 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.024 -5.162 -0.647 1.00 10.00 H new ATOM 0 HG2 GLN A 16 14.089 -3.175 -1.717 1.00 10.00 H new ATOM 0 HG3 GLN A 16 12.857 -2.497 -0.671 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.702 -0.762 -1.552 1.00 10.00 H new ATOM 0 HE22 GLN A 16 15.865 -0.347 -0.288 1.00 10.00 H new ATOM 257 N CYS A 17 10.263 -3.786 1.585 1.00 10.00 N ATOM 258 CA CYS A 17 9.523 -2.983 2.546 1.00 10.00 C ATOM 259 C CYS A 17 8.129 -3.562 2.777 1.00 10.00 C ATOM 260 O CYS A 17 7.689 -3.620 3.926 1.00 10.00 O ATOM 261 CB CYS A 17 9.422 -1.532 2.134 1.00 10.00 C ATOM 262 SG CYS A 17 8.808 -0.650 3.597 1.00 10.00 S ATOM 0 H CYS A 17 9.668 -4.426 1.059 1.00 10.00 H new ATOM 0 HA CYS A 17 10.085 -3.017 3.479 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.392 -1.145 1.821 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.743 -1.411 1.290 1.00 10.00 H new ATOM 267 N HIS A 18 7.441 -3.968 1.701 1.00 10.00 N ATOM 268 CA HIS A 18 6.152 -4.632 1.793 1.00 10.00 C ATOM 269 C HIS A 18 6.282 -6.023 1.236 1.00 10.00 C ATOM 270 O HIS A 18 7.080 -6.271 0.337 1.00 10.00 O ATOM 271 CB HIS A 18 5.103 -3.945 0.930 1.00 10.00 C ATOM 272 CG HIS A 18 4.428 -2.800 1.611 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.389 -2.862 2.517 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.535 -1.519 1.177 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.867 -1.620 2.593 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.557 -0.762 1.809 1.00 10.00 N ATOM 0 H HIS A 18 7.771 -3.841 0.744 1.00 10.00 H new ATOM 0 HA HIS A 18 5.854 -4.615 2.841 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.575 -3.586 0.015 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.351 -4.677 0.635 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.076 -3.687 3.030 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.257 -1.151 0.463 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.014 -1.349 3.198 1.00 10.00 H new ATOM 284 N THR A 19 5.378 -6.876 1.691 1.00 10.00 N ATOM 285 CA THR A 19 5.288 -8.234 1.244 1.00 10.00 C ATOM 286 C THR A 19 3.807 -8.536 1.037 1.00 10.00 C ATOM 287 O THR A 19 2.968 -7.932 1.709 1.00 10.00 O ATOM 288 CB THR A 19 5.952 -9.108 2.310 1.00 10.00 C ATOM 289 OG1 THR A 19 7.203 -8.593 2.729 1.00 10.00 O ATOM 290 CG2 THR A 19 6.177 -10.475 1.700 1.00 10.00 C ATOM 0 H THR A 19 4.680 -6.628 2.393 1.00 10.00 H new ATOM 0 HA THR A 19 5.800 -8.427 0.301 1.00 10.00 H new ATOM 0 HB THR A 19 5.302 -9.143 3.184 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.511 -9.084 3.519 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.651 -11.127 2.434 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.220 -10.901 1.399 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.823 -10.382 0.827 1.00 10.00 H new ATOM 298 N VAL A 20 3.487 -9.401 0.068 1.00 10.00 N ATOM 299 CA VAL A 20 2.119 -9.801 -0.238 1.00 10.00 C ATOM 300 C VAL A 20 2.031 -11.315 -0.388 1.00 10.00 C ATOM 301 O VAL A 20 1.290 -11.823 -1.223 1.00 10.00 O ATOM 302 CB VAL A 20 1.591 -9.083 -1.492 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.345 -7.624 -1.159 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.489 -9.182 -2.722 1.00 10.00 C ATOM 0 H VAL A 20 4.183 -9.846 -0.530 1.00 10.00 H new ATOM 0 HA VAL A 20 1.483 -9.502 0.595 1.00 10.00 H new ATOM 0 HB VAL A 20 0.670 -9.598 -1.766 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.970 -7.107 -2.043 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.609 -7.553 -0.358 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.278 -7.162 -0.837 1.00 10.00 H new ATOM 0 HG21 VAL A 20 2.030 -8.645 -3.552 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.461 -8.743 -2.499 1.00 10.00 H new ATOM 0 HG23 VAL A 20 2.618 -10.229 -2.995 1.00 10.00 H new ATOM 314 N GLU A 21 2.787 -12.033 0.437 1.00 10.00 N ATOM 315 CA GLU A 21 2.753 -13.477 0.506 1.00 10.00 C ATOM 316 C GLU A 21 2.620 -13.864 1.976 1.00 10.00 C ATOM 317 O GLU A 21 2.883 -13.065 2.884 1.00 10.00 O ATOM 318 CB GLU A 21 3.958 -14.091 -0.228 1.00 10.00 C ATOM 319 CG GLU A 21 5.318 -13.589 0.267 1.00 10.00 C ATOM 320 CD GLU A 21 6.450 -14.116 -0.603 1.00 10.00 C ATOM 321 OE1 GLU A 21 6.762 -13.421 -1.594 1.00 10.00 O ATOM 322 OE2 GLU A 21 6.971 -15.200 -0.267 1.00 10.00 O ATOM 0 H GLU A 21 3.451 -11.612 1.086 1.00 10.00 H new ATOM 0 HA GLU A 21 1.892 -13.891 -0.019 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.922 -15.175 -0.119 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.869 -13.875 -1.293 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.330 -12.499 0.262 1.00 10.00 H new ATOM 0 HG3 GLU A 21 5.472 -13.905 1.299 1.00 10.00 H new ATOM 329 N LYS A 22 2.119 -15.071 2.219 1.00 10.00 N ATOM 330 CA LYS A 22 1.874 -15.535 3.568 1.00 10.00 C ATOM 331 C LYS A 22 3.230 -15.771 4.242 1.00 10.00 C ATOM 332 O LYS A 22 4.096 -16.433 3.679 1.00 10.00 O ATOM 333 CB LYS A 22 0.984 -16.790 3.513 1.00 10.00 C ATOM 334 CG LYS A 22 -0.024 -16.865 4.668 1.00 10.00 C ATOM 335 CD LYS A 22 0.620 -17.356 5.973 1.00 10.00 C ATOM 336 CE LYS A 22 -0.293 -17.126 7.185 1.00 10.00 C ATOM 337 NZ LYS A 22 -1.517 -17.952 7.138 1.00 10.00 N ATOM 0 H LYS A 22 1.876 -15.743 1.492 1.00 10.00 H new ATOM 0 HA LYS A 22 1.335 -14.800 4.166 1.00 10.00 H new ATOM 0 HB2 LYS A 22 0.444 -16.804 2.566 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.616 -17.678 3.532 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -0.462 -15.880 4.830 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.839 -17.535 4.393 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.849 -18.418 5.887 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.566 -16.838 6.128 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.258 -17.351 8.098 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.571 -16.073 7.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.098 -17.759 7.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.059 -17.721 6.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -1.256 -18.959 7.121 1.00 10.00 H new ATOM 351 N GLY A 23 3.423 -15.214 5.441 1.00 10.00 N ATOM 352 CA GLY A 23 4.687 -15.314 6.159 1.00 10.00 C ATOM 353 C GLY A 23 5.694 -14.268 5.681 1.00 10.00 C ATOM 354 O GLY A 23 6.895 -14.419 5.895 1.00 10.00 O ATOM 0 H GLY A 23 2.706 -14.683 5.936 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.510 -15.187 7.227 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.105 -16.311 6.022 1.00 10.00 H new ATOM 358 N GLY A 24 5.205 -13.169 5.097 1.00 10.00 N ATOM 359 CA GLY A 24 6.038 -12.137 4.502 1.00 10.00 C ATOM 360 C GLY A 24 6.849 -11.289 5.486 1.00 10.00 C ATOM 361 O GLY A 24 7.594 -10.409 5.049 1.00 10.00 O ATOM 0 H GLY A 24 4.206 -12.976 5.027 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.729 -12.611 3.804 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.400 -11.473 3.918 1.00 10.00 H new ATOM 365 N LYS A 25 6.696 -11.542 6.793 1.00 10.00 N ATOM 366 CA LYS A 25 7.314 -10.793 7.880 1.00 10.00 C ATOM 367 C LYS A 25 6.887 -9.320 7.843 1.00 10.00 C ATOM 368 O LYS A 25 5.996 -8.937 7.088 1.00 10.00 O ATOM 369 CB LYS A 25 8.846 -11.013 7.900 1.00 10.00 C ATOM 370 CG LYS A 25 9.255 -12.495 8.039 1.00 10.00 C ATOM 371 CD LYS A 25 9.901 -12.768 9.411 1.00 10.00 C ATOM 372 CE LYS A 25 10.090 -14.266 9.731 1.00 10.00 C ATOM 373 NZ LYS A 25 11.473 -14.748 9.515 1.00 10.00 N ATOM 0 H LYS A 25 6.112 -12.308 7.129 1.00 10.00 H new ATOM 0 HA LYS A 25 6.952 -11.176 8.834 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.275 -10.611 6.982 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.275 -10.447 8.727 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.378 -13.130 7.914 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.955 -12.758 7.246 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.872 -12.274 9.448 1.00 10.00 H new ATOM 0 HD3 LYS A 25 9.284 -12.317 10.188 1.00 10.00 H new ATOM 0 HE2 LYS A 25 9.809 -14.445 10.769 1.00 10.00 H new ATOM 0 HE3 LYS A 25 9.410 -14.850 9.111 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 11.528 -15.760 9.749 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 11.738 -14.608 8.519 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.125 -14.216 10.125 1.00 10.00 H new ATOM 387 N HIS A 26 7.453 -8.522 8.752 1.00 10.00 N ATOM 388 CA HIS A 26 7.069 -7.142 8.990 1.00 10.00 C ATOM 389 C HIS A 26 8.386 -6.409 9.238 1.00 10.00 C ATOM 390 O HIS A 26 9.076 -6.737 10.201 1.00 10.00 O ATOM 391 CB HIS A 26 6.125 -7.044 10.210 1.00 10.00 C ATOM 392 CG HIS A 26 5.040 -8.100 10.279 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.243 -9.449 10.469 1.00 10.00 N ATOM 394 CD2 HIS A 26 3.685 -7.898 10.263 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.043 -10.051 10.482 1.00 10.00 C ATOM 396 NE2 HIS A 26 3.062 -9.147 10.356 1.00 10.00 N ATOM 0 H HIS A 26 8.213 -8.834 9.357 1.00 10.00 H new ATOM 0 HA HIS A 26 6.521 -6.709 8.153 1.00 10.00 H new ATOM 0 HB2 HIS A 26 6.725 -7.104 11.118 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.653 -6.062 10.204 1.00 10.00 H new ATOM 0 HD2 HIS A 26 3.186 -6.943 10.191 1.00 10.00 H new ATOM 0 HE1 HIS A 26 3.890 -11.116 10.580 1.00 10.00 H new ATOM 0 HE2 HIS A 26 2.059 -9.333 10.333 1.00 10.00 H new ATOM 404 N LYS A 27 8.780 -5.506 8.336 1.00 10.00 N ATOM 405 CA LYS A 27 10.021 -4.746 8.452 1.00 10.00 C ATOM 406 C LYS A 27 9.675 -3.276 8.685 1.00 10.00 C ATOM 407 O LYS A 27 9.862 -2.772 9.789 1.00 10.00 O ATOM 408 CB LYS A 27 10.892 -4.970 7.207 1.00 10.00 C ATOM 409 CG LYS A 27 11.601 -6.332 7.269 1.00 10.00 C ATOM 410 CD LYS A 27 12.322 -6.610 5.942 1.00 10.00 C ATOM 411 CE LYS A 27 13.313 -7.779 6.060 1.00 10.00 C ATOM 412 NZ LYS A 27 14.182 -7.885 4.868 1.00 10.00 N ATOM 0 H LYS A 27 8.241 -5.282 7.500 1.00 10.00 H new ATOM 0 HA LYS A 27 10.609 -5.087 9.304 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.273 -4.919 6.311 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.632 -4.174 7.129 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.317 -6.341 8.090 1.00 10.00 H new ATOM 0 HG3 LYS A 27 10.875 -7.120 7.470 1.00 10.00 H new ATOM 0 HD2 LYS A 27 11.586 -6.835 5.170 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.855 -5.714 5.624 1.00 10.00 H new ATOM 0 HE2 LYS A 27 13.930 -7.644 6.949 1.00 10.00 H new ATOM 0 HE3 LYS A 27 12.762 -8.710 6.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 14.836 -8.685 4.985 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 13.595 -8.039 4.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 14.726 -7.006 4.756 1.00 10.00 H new ATOM 426 N THR A 28 9.139 -2.612 7.657 1.00 10.00 N ATOM 427 CA THR A 28 8.639 -1.245 7.755 1.00 10.00 C ATOM 428 C THR A 28 7.166 -1.217 7.337 1.00 10.00 C ATOM 429 O THR A 28 6.321 -0.803 8.129 1.00 10.00 O ATOM 430 CB THR A 28 9.556 -0.280 6.990 1.00 10.00 C ATOM 431 OG1 THR A 28 10.820 -0.231 7.618 1.00 10.00 O ATOM 432 CG2 THR A 28 8.983 1.138 6.932 1.00 10.00 C ATOM 0 H THR A 28 9.041 -3.016 6.725 1.00 10.00 H new ATOM 0 HA THR A 28 8.666 -0.889 8.785 1.00 10.00 H new ATOM 0 HB THR A 28 9.642 -0.655 5.970 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.405 0.384 7.128 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.666 1.784 6.381 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.016 1.119 6.429 1.00 10.00 H new ATOM 0 HG23 THR A 28 8.858 1.521 7.945 1.00 10.00 H new ATOM 440 N GLY A 29 6.829 -1.664 6.123 1.00 10.00 N ATOM 441 CA GLY A 29 5.434 -1.826 5.747 1.00 10.00 C ATOM 442 C GLY A 29 4.910 -3.135 6.335 1.00 10.00 C ATOM 443 O GLY A 29 5.687 -4.081 6.485 1.00 10.00 O ATOM 0 H GLY A 29 7.499 -1.916 5.396 1.00 10.00 H new ATOM 0 HA2 GLY A 29 4.845 -0.986 6.114 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.335 -1.834 4.662 1.00 10.00 H new ATOM 447 N PRO A 30 3.618 -3.222 6.688 1.00 10.00 N ATOM 448 CA PRO A 30 3.044 -4.495 7.057 1.00 10.00 C ATOM 449 C PRO A 30 2.890 -5.393 5.839 1.00 10.00 C ATOM 450 O PRO A 30 3.005 -4.959 4.686 1.00 10.00 O ATOM 451 CB PRO A 30 1.700 -4.193 7.727 1.00 10.00 C ATOM 452 CG PRO A 30 1.343 -2.771 7.292 1.00 10.00 C ATOM 453 CD PRO A 30 2.638 -2.149 6.758 1.00 10.00 C ATOM 0 HA PRO A 30 3.691 -5.038 7.746 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.936 -4.904 7.413 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.776 -4.265 8.812 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.570 -2.782 6.523 1.00 10.00 H new ATOM 0 HG3 PRO A 30 0.951 -2.195 8.130 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.478 -1.706 5.775 1.00 10.00 H new ATOM 0 HD3 PRO A 30 2.984 -1.351 7.415 1.00 10.00 H new ATOM 461 N ASN A 31 2.629 -6.669 6.135 1.00 10.00 N ATOM 462 CA ASN A 31 2.306 -7.653 5.127 1.00 10.00 C ATOM 463 C ASN A 31 0.995 -7.199 4.493 1.00 10.00 C ATOM 464 O ASN A 31 -0.060 -7.280 5.115 1.00 10.00 O ATOM 465 CB ASN A 31 2.214 -9.054 5.756 1.00 10.00 C ATOM 466 CG ASN A 31 2.343 -10.168 4.715 1.00 10.00 C ATOM 467 OD1 ASN A 31 3.009 -10.013 3.698 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.737 -11.326 4.954 1.00 10.00 N ATOM 0 H ASN A 31 2.639 -7.038 7.086 1.00 10.00 H new ATOM 0 HA ASN A 31 3.078 -7.728 4.361 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.999 -9.166 6.504 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.261 -9.154 6.276 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.824 -12.094 4.289 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.185 -11.447 5.803 1.00 10.00 H new ATOM 475 N LEU A 32 1.080 -6.679 3.270 1.00 10.00 N ATOM 476 CA LEU A 32 -0.029 -6.107 2.515 1.00 10.00 C ATOM 477 C LEU A 32 -1.077 -7.204 2.230 1.00 10.00 C ATOM 478 O LEU A 32 -2.217 -6.915 1.875 1.00 10.00 O ATOM 479 CB LEU A 32 0.556 -5.481 1.233 1.00 10.00 C ATOM 480 CG LEU A 32 0.359 -3.986 0.979 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.318 -3.575 -0.146 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.048 -3.706 0.487 1.00 10.00 C ATOM 0 H LEU A 32 1.962 -6.644 2.758 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.545 -5.326 3.073 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.628 -5.676 1.232 1.00 10.00 H new ATOM 0 HB3 LEU A 32 0.134 -6.017 0.383 1.00 10.00 H new ATOM 0 HG LEU A 32 0.540 -3.440 1.905 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.202 -2.511 -0.352 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.345 -3.776 0.160 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.089 -4.146 -1.046 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.166 -2.637 0.313 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.223 -4.247 -0.443 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.768 -4.033 1.237 1.00 10.00 H new ATOM 494 N HIS A 33 -0.691 -8.476 2.392 1.00 10.00 N ATOM 495 CA HIS A 33 -1.580 -9.624 2.483 1.00 10.00 C ATOM 496 C HIS A 33 -2.794 -9.317 3.380 1.00 10.00 C ATOM 497 O HIS A 33 -2.646 -9.153 4.589 1.00 10.00 O ATOM 498 CB HIS A 33 -0.755 -10.830 2.948 1.00 10.00 C ATOM 499 CG HIS A 33 -1.326 -12.168 2.562 1.00 10.00 C ATOM 500 ND1 HIS A 33 -0.991 -12.925 1.456 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.075 -12.956 3.389 1.00 10.00 C ATOM 502 CE1 HIS A 33 -1.538 -14.142 1.628 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.192 -14.216 2.801 1.00 10.00 N ATOM 0 H HIS A 33 0.293 -8.736 2.465 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.007 -9.863 1.509 1.00 10.00 H new ATOM 0 HB2 HIS A 33 0.250 -10.746 2.535 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -0.658 -10.791 4.033 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.503 -12.656 4.334 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -1.462 -14.952 0.918 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.676 -15.029 3.183 1.00 10.00 H new ATOM 511 N GLY A 34 -3.989 -9.215 2.787 1.00 10.00 N ATOM 512 CA GLY A 34 -5.219 -8.834 3.474 1.00 10.00 C ATOM 513 C GLY A 34 -5.526 -7.334 3.414 1.00 10.00 C ATOM 514 O GLY A 34 -6.382 -6.866 4.158 1.00 10.00 O ATOM 0 H GLY A 34 -4.126 -9.400 1.793 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.053 -9.383 3.036 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.150 -9.139 4.518 1.00 10.00 H new ATOM 518 N LEU A 35 -4.878 -6.570 2.532 1.00 10.00 N ATOM 519 CA LEU A 35 -5.143 -5.143 2.375 1.00 10.00 C ATOM 520 C LEU A 35 -6.569 -4.888 1.885 1.00 10.00 C ATOM 521 O LEU A 35 -7.342 -4.168 2.518 1.00 10.00 O ATOM 522 CB LEU A 35 -4.116 -4.561 1.390 1.00 10.00 C ATOM 523 CG LEU A 35 -4.473 -3.222 0.708 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.311 -2.019 1.628 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.714 -3.003 -0.590 1.00 10.00 C ATOM 0 H LEU A 35 -4.155 -6.926 1.907 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.049 -4.652 3.344 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.174 -4.428 1.923 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -3.939 -5.301 0.610 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.532 -3.307 0.466 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.577 -1.110 1.089 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.964 -2.132 2.493 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.275 -1.953 1.961 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -4.005 -2.047 -1.025 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.643 -2.999 -0.389 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.949 -3.806 -1.289 1.00 10.00 H new ATOM 537 N PHE A 36 -6.880 -5.415 0.698 1.00 10.00 N ATOM 538 CA PHE A 36 -8.140 -5.141 0.024 1.00 10.00 C ATOM 539 C PHE A 36 -9.300 -5.595 0.911 1.00 10.00 C ATOM 540 O PHE A 36 -9.269 -6.695 1.461 1.00 10.00 O ATOM 541 CB PHE A 36 -8.177 -5.817 -1.356 1.00 10.00 C ATOM 542 CG PHE A 36 -7.557 -4.996 -2.476 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.180 -4.704 -2.470 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.365 -4.492 -3.514 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.647 -3.825 -3.428 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.820 -3.636 -4.486 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.473 -3.248 -4.399 1.00 10.00 C ATOM 0 H PHE A 36 -6.263 -6.042 0.182 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.237 -4.068 -0.145 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.657 -6.773 -1.293 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.214 -6.034 -1.613 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.535 -5.155 -1.731 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.409 -4.765 -3.563 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.592 -3.593 -3.415 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.435 -3.277 -5.298 1.00 10.00 H new ATOM 0 HZ PHE A 36 -6.077 -2.508 -5.078 1.00 10.00 H new ATOM 557 N GLY A 37 -10.326 -4.751 1.047 1.00 10.00 N ATOM 558 CA GLY A 37 -11.494 -5.082 1.852 1.00 10.00 C ATOM 559 C GLY A 37 -11.225 -4.976 3.355 1.00 10.00 C ATOM 560 O GLY A 37 -11.805 -5.728 4.135 1.00 10.00 O ATOM 0 H GLY A 37 -10.367 -3.832 0.607 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.314 -4.415 1.586 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.818 -6.096 1.616 1.00 10.00 H new ATOM 564 N ARG A 38 -10.386 -4.020 3.766 1.00 10.00 N ATOM 565 CA ARG A 38 -10.166 -3.624 5.153 1.00 10.00 C ATOM 566 C ARG A 38 -9.978 -2.106 5.192 1.00 10.00 C ATOM 567 O ARG A 38 -9.976 -1.461 4.142 1.00 10.00 O ATOM 568 CB ARG A 38 -8.965 -4.387 5.743 1.00 10.00 C ATOM 569 CG ARG A 38 -9.459 -5.635 6.485 1.00 10.00 C ATOM 570 CD ARG A 38 -8.300 -6.547 6.899 1.00 10.00 C ATOM 571 NE ARG A 38 -8.765 -7.714 7.663 1.00 10.00 N ATOM 572 CZ ARG A 38 -9.459 -8.745 7.153 1.00 10.00 C ATOM 573 NH1 ARG A 38 -9.775 -8.766 5.852 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.841 -9.750 7.950 1.00 10.00 N ATOM 0 H ARG A 38 -9.820 -3.481 3.111 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.025 -3.882 5.772 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.278 -4.674 4.947 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.412 -3.742 6.425 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.018 -5.334 7.371 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.147 -6.189 5.846 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.768 -6.884 6.009 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.589 -5.980 7.500 1.00 10.00 H new ATOM 0 HE ARG A 38 -8.543 -7.743 8.658 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -9.489 -7.998 5.245 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -10.302 -9.550 5.468 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.605 -9.732 8.942 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -10.368 -10.534 7.565 1.00 10.00 H new ATOM 588 N LYS A 39 -9.865 -1.543 6.401 1.00 10.00 N ATOM 589 CA LYS A 39 -9.581 -0.132 6.637 1.00 10.00 C ATOM 590 C LYS A 39 -8.096 0.071 6.946 1.00 10.00 C ATOM 591 O LYS A 39 -7.348 -0.889 7.093 1.00 10.00 O ATOM 592 CB LYS A 39 -10.447 0.405 7.797 1.00 10.00 C ATOM 593 CG LYS A 39 -11.551 1.377 7.348 1.00 10.00 C ATOM 594 CD LYS A 39 -12.960 0.765 7.358 1.00 10.00 C ATOM 595 CE LYS A 39 -13.851 1.489 8.378 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.290 2.816 7.884 1.00 10.00 N ATOM 0 H LYS A 39 -9.973 -2.076 7.264 1.00 10.00 H new ATOM 0 HA LYS A 39 -9.826 0.425 5.733 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -10.906 -0.437 8.316 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -9.802 0.909 8.516 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.540 2.250 8.000 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.325 1.728 6.341 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.402 0.837 6.364 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.901 -0.295 7.605 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.725 0.876 8.597 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.306 1.612 9.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -14.744 3.342 8.658 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -13.466 3.349 7.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.969 2.690 7.107 1.00 10.00 H new ATOM 610 N THR A 40 -7.685 1.336 7.077 1.00 10.00 N ATOM 611 CA THR A 40 -6.337 1.707 7.497 1.00 10.00 C ATOM 612 C THR A 40 -6.065 1.308 8.951 1.00 10.00 C ATOM 613 O THR A 40 -5.132 0.564 9.231 1.00 10.00 O ATOM 614 CB THR A 40 -6.113 3.211 7.279 1.00 10.00 C ATOM 615 OG1 THR A 40 -6.883 4.000 8.171 1.00 10.00 O ATOM 616 CG2 THR A 40 -6.548 3.596 5.868 1.00 10.00 C ATOM 0 H THR A 40 -8.288 2.137 6.892 1.00 10.00 H new ATOM 0 HA THR A 40 -5.626 1.156 6.881 1.00 10.00 H new ATOM 0 HB THR A 40 -5.052 3.397 7.447 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.411 4.839 8.357 1.00 10.00 H new ATOM 0 HG21 THR A 40 -6.388 4.663 5.716 1.00 10.00 H new ATOM 0 HG22 THR A 40 -5.962 3.034 5.141 1.00 10.00 H new ATOM 0 HG23 THR A 40 -7.605 3.366 5.738 1.00 10.00 H new ATOM 624 N GLY A 41 -6.885 1.819 9.876 1.00 10.00 N ATOM 625 CA GLY A 41 -6.682 1.756 11.319 1.00 10.00 C ATOM 626 C GLY A 41 -6.989 0.402 11.932 1.00 10.00 C ATOM 627 O GLY A 41 -7.710 0.317 12.925 1.00 10.00 O ATOM 0 H GLY A 41 -7.744 2.308 9.624 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.647 2.016 11.541 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.309 2.509 11.796 1.00 10.00 H new ATOM 631 N GLN A 42 -6.426 -0.642 11.339 1.00 10.00 N ATOM 632 CA GLN A 42 -6.553 -2.028 11.711 1.00 10.00 C ATOM 633 C GLN A 42 -5.591 -2.801 10.811 1.00 10.00 C ATOM 634 O GLN A 42 -5.617 -2.632 9.595 1.00 10.00 O ATOM 635 CB GLN A 42 -8.004 -2.488 11.534 1.00 10.00 C ATOM 636 CG GLN A 42 -8.620 -2.091 10.181 1.00 10.00 C ATOM 637 CD GLN A 42 -9.286 -3.279 9.498 1.00 10.00 C ATOM 638 OE1 GLN A 42 -8.666 -4.316 9.290 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.561 -3.149 9.138 1.00 10.00 N ATOM 0 H GLN A 42 -5.824 -0.523 10.524 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.304 -2.197 12.759 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.047 -3.572 11.638 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.610 -2.066 12.336 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.354 -1.300 10.333 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.844 -1.686 9.532 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.056 -2.276 9.322 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.043 -3.922 8.679 1.00 10.00 H new ATOM 648 N ALA A 43 -4.718 -3.619 11.395 1.00 10.00 N ATOM 649 CA ALA A 43 -3.772 -4.429 10.650 1.00 10.00 C ATOM 650 C ALA A 43 -3.480 -5.661 11.496 1.00 10.00 C ATOM 651 O ALA A 43 -3.512 -5.556 12.724 1.00 10.00 O ATOM 652 CB ALA A 43 -2.492 -3.631 10.395 1.00 10.00 C ATOM 0 H ALA A 43 -4.651 -3.735 12.406 1.00 10.00 H new ATOM 0 HA ALA A 43 -4.177 -4.720 9.681 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.786 -4.245 9.835 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.730 -2.736 9.820 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.047 -3.343 11.347 1.00 10.00 H new ATOM 658 N PRO A 44 -3.233 -6.826 10.885 1.00 10.00 N ATOM 659 CA PRO A 44 -3.014 -8.039 11.641 1.00 10.00 C ATOM 660 C PRO A 44 -1.645 -7.985 12.324 1.00 10.00 C ATOM 661 O PRO A 44 -0.622 -8.008 11.647 1.00 10.00 O ATOM 662 CB PRO A 44 -3.139 -9.181 10.628 1.00 10.00 C ATOM 663 CG PRO A 44 -2.775 -8.535 9.289 1.00 10.00 C ATOM 664 CD PRO A 44 -3.207 -7.078 9.450 1.00 10.00 C ATOM 0 HA PRO A 44 -3.735 -8.179 12.446 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -2.466 -10.003 10.870 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -4.149 -9.590 10.611 1.00 10.00 H new ATOM 0 HG2 PRO A 44 -1.707 -8.614 9.085 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -3.294 -9.016 8.460 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -2.511 -6.406 8.948 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -4.188 -6.910 9.006 1.00 10.00 H new ATOM 672 N GLY A 45 -1.638 -7.916 13.662 1.00 10.00 N ATOM 673 CA GLY A 45 -0.442 -7.994 14.493 1.00 10.00 C ATOM 674 C GLY A 45 0.670 -7.061 14.016 1.00 10.00 C ATOM 675 O GLY A 45 1.733 -7.512 13.595 1.00 10.00 O ATOM 0 H GLY A 45 -2.493 -7.801 14.206 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.703 -7.745 15.522 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.073 -9.020 14.496 1.00 10.00 H new ATOM 679 N PHE A 46 0.425 -5.751 14.091 1.00 10.00 N ATOM 680 CA PHE A 46 1.328 -4.731 13.583 1.00 10.00 C ATOM 681 C PHE A 46 1.120 -3.444 14.394 1.00 10.00 C ATOM 682 O PHE A 46 0.135 -3.337 15.123 1.00 10.00 O ATOM 683 CB PHE A 46 1.022 -4.523 12.096 1.00 10.00 C ATOM 684 CG PHE A 46 1.871 -3.468 11.418 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.206 -3.754 11.078 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.345 -2.185 11.173 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.001 -2.774 10.458 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.150 -1.199 10.579 1.00 10.00 C ATOM 689 CZ PHE A 46 3.479 -1.490 10.228 1.00 10.00 C ATOM 0 H PHE A 46 -0.421 -5.369 14.514 1.00 10.00 H new ATOM 0 HA PHE A 46 2.372 -5.028 13.684 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.159 -5.470 11.575 1.00 10.00 H new ATOM 0 HB3 PHE A 46 -0.028 -4.249 11.990 1.00 10.00 H new ATOM 0 HD1 PHE A 46 3.621 -4.728 11.294 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.324 -1.959 11.442 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.012 -3.008 10.159 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.746 -0.215 10.392 1.00 10.00 H new ATOM 0 HZ PHE A 46 4.099 -0.727 9.781 1.00 10.00 H new ATOM 699 N THR A 47 2.037 -2.481 14.264 1.00 10.00 N ATOM 700 CA THR A 47 2.030 -1.195 14.953 1.00 10.00 C ATOM 701 C THR A 47 1.905 -0.074 13.912 1.00 10.00 C ATOM 702 O THR A 47 2.909 0.355 13.346 1.00 10.00 O ATOM 703 CB THR A 47 3.296 -1.069 15.829 1.00 10.00 C ATOM 704 OG1 THR A 47 3.570 0.282 16.133 1.00 10.00 O ATOM 705 CG2 THR A 47 4.555 -1.689 15.206 1.00 10.00 C ATOM 0 H THR A 47 2.841 -2.586 13.645 1.00 10.00 H new ATOM 0 HA THR A 47 1.175 -1.115 15.624 1.00 10.00 H new ATOM 0 HB THR A 47 3.064 -1.632 16.733 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.375 0.335 16.690 1.00 10.00 H new ATOM 0 HG21 THR A 47 5.399 -1.558 15.884 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.390 -2.753 15.034 1.00 10.00 H new ATOM 0 HG23 THR A 47 4.772 -1.197 14.258 1.00 10.00 H new ATOM 713 N TYR A 48 0.684 0.411 13.674 1.00 10.00 N ATOM 714 CA TYR A 48 0.406 1.497 12.746 1.00 10.00 C ATOM 715 C TYR A 48 0.632 2.848 13.426 1.00 10.00 C ATOM 716 O TYR A 48 0.834 2.910 14.638 1.00 10.00 O ATOM 717 CB TYR A 48 -1.028 1.350 12.210 1.00 10.00 C ATOM 718 CG TYR A 48 -2.111 1.212 13.267 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.409 2.290 14.122 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.803 -0.006 13.417 1.00 10.00 C ATOM 721 CE1 TYR A 48 -3.328 2.124 15.170 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.778 -0.145 14.420 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.037 0.921 15.299 1.00 10.00 C ATOM 724 OH TYR A 48 -5.001 0.811 16.257 1.00 10.00 O ATOM 0 H TYR A 48 -0.152 0.049 14.133 1.00 10.00 H new ATOM 0 HA TYR A 48 1.091 1.449 11.899 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.257 2.218 11.592 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.066 0.476 11.559 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.930 3.246 13.971 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.584 -0.835 12.760 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.489 2.924 15.878 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -4.328 -1.070 14.515 1.00 10.00 H new ATOM 0 HH TYR A 48 -5.401 -0.083 16.218 1.00 10.00 H new ATOM 734 N THR A 49 0.573 3.929 12.645 1.00 10.00 N ATOM 735 CA THR A 49 0.744 5.297 13.104 1.00 10.00 C ATOM 736 C THR A 49 -0.590 6.052 13.018 1.00 10.00 C ATOM 737 O THR A 49 -1.508 5.597 12.337 1.00 10.00 O ATOM 738 CB THR A 49 1.767 5.970 12.177 1.00 10.00 C ATOM 739 OG1 THR A 49 1.294 5.863 10.845 1.00 10.00 O ATOM 740 CG2 THR A 49 3.150 5.314 12.273 1.00 10.00 C ATOM 0 H THR A 49 0.399 3.867 11.642 1.00 10.00 H new ATOM 0 HA THR A 49 1.084 5.309 14.139 1.00 10.00 H new ATOM 0 HB THR A 49 1.875 7.012 12.480 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.933 6.289 10.236 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.841 5.822 11.601 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.518 5.389 13.296 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.075 4.264 11.990 1.00 10.00 H new ATOM 748 N ASP A 50 -0.679 7.231 13.647 1.00 10.00 N ATOM 749 CA ASP A 50 -1.825 8.136 13.624 1.00 10.00 C ATOM 750 C ASP A 50 -2.466 8.246 12.247 1.00 10.00 C ATOM 751 O ASP A 50 -3.670 8.080 12.108 1.00 10.00 O ATOM 752 CB ASP A 50 -1.392 9.542 14.064 1.00 10.00 C ATOM 753 CG ASP A 50 -0.877 9.582 15.492 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.093 8.665 15.825 1.00 10.00 O ATOM 755 OD2 ASP A 50 -1.263 10.533 16.204 1.00 10.00 O ATOM 0 H ASP A 50 0.088 7.594 14.213 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.561 7.716 14.310 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.614 9.904 13.392 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.237 10.223 13.969 1.00 10.00 H new ATOM 760 N ALA A 51 -1.673 8.573 11.229 1.00 10.00 N ATOM 761 CA ALA A 51 -2.141 8.689 9.859 1.00 10.00 C ATOM 762 C ALA A 51 -2.853 7.406 9.460 1.00 10.00 C ATOM 763 O ALA A 51 -4.009 7.447 9.046 1.00 10.00 O ATOM 764 CB ALA A 51 -0.972 8.982 8.918 1.00 10.00 C ATOM 0 H ALA A 51 -0.677 8.766 11.338 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.843 9.520 9.785 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.340 9.066 7.896 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.496 9.918 9.210 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.246 8.171 8.977 1.00 10.00 H new ATOM 770 N ASN A 52 -2.190 6.263 9.629 1.00 10.00 N ATOM 771 CA ASN A 52 -2.716 4.942 9.308 1.00 10.00 C ATOM 772 C ASN A 52 -3.652 4.465 10.426 1.00 10.00 C ATOM 773 O ASN A 52 -3.558 3.348 10.921 1.00 10.00 O ATOM 774 CB ASN A 52 -1.531 4.003 9.065 1.00 10.00 C ATOM 775 CG ASN A 52 -1.966 2.685 8.435 1.00 10.00 C ATOM 776 OD1 ASN A 52 -2.174 1.689 9.117 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.104 2.653 7.115 1.00 10.00 N ATOM 0 H ASN A 52 -1.242 6.233 10.005 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.319 4.963 8.400 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -0.807 4.494 8.415 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.027 3.804 10.011 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.388 1.789 6.653 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.927 3.492 6.563 1.00 10.00 H new ATOM 784 N LYS A 53 -4.574 5.343 10.818 1.00 10.00 N ATOM 785 CA LYS A 53 -5.558 5.127 11.865 1.00 10.00 C ATOM 786 C LYS A 53 -6.677 6.150 11.729 1.00 10.00 C ATOM 787 O LYS A 53 -7.835 5.783 11.538 1.00 10.00 O ATOM 788 CB LYS A 53 -4.895 5.120 13.254 1.00 10.00 C ATOM 789 CG LYS A 53 -5.812 4.609 14.377 1.00 10.00 C ATOM 790 CD LYS A 53 -6.685 5.713 14.994 1.00 10.00 C ATOM 791 CE LYS A 53 -7.365 5.239 16.287 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.320 4.135 16.053 1.00 10.00 N ATOM 0 H LYS A 53 -4.655 6.266 10.391 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.009 4.141 11.753 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.001 4.498 13.216 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.569 6.132 13.496 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -6.456 3.823 13.982 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -5.201 4.158 15.159 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.071 6.588 15.205 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -7.444 6.022 14.275 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.604 4.912 16.995 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.889 6.077 16.746 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.751 3.852 16.956 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.063 4.452 15.398 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -7.818 3.323 15.640 1.00 10.00 H new ATOM 806 N ASN A 54 -6.328 7.434 11.806 1.00 10.00 N ATOM 807 CA ASN A 54 -7.265 8.537 11.635 1.00 10.00 C ATOM 808 C ASN A 54 -7.886 8.510 10.241 1.00 10.00 C ATOM 809 O ASN A 54 -9.009 8.976 10.070 1.00 10.00 O ATOM 810 CB ASN A 54 -6.576 9.891 11.889 1.00 10.00 C ATOM 811 CG ASN A 54 -6.703 10.357 13.339 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.769 10.264 13.938 1.00 10.00 O ATOM 813 ND2 ASN A 54 -5.629 10.882 13.922 1.00 10.00 N ATOM 0 H ASN A 54 -5.372 7.738 11.992 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.061 8.415 12.370 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.521 9.811 11.629 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -7.010 10.644 11.231 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -5.683 11.216 14.884 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -4.751 10.951 13.407 1.00 10.00 H new ATOM 820 N LYS A 55 -7.168 7.983 9.242 1.00 10.00 N ATOM 821 CA LYS A 55 -7.660 7.952 7.871 1.00 10.00 C ATOM 822 C LYS A 55 -9.026 7.270 7.774 1.00 10.00 C ATOM 823 O LYS A 55 -9.957 7.806 7.182 1.00 10.00 O ATOM 824 CB LYS A 55 -6.635 7.254 6.968 1.00 10.00 C ATOM 825 CG LYS A 55 -6.397 8.046 5.682 1.00 10.00 C ATOM 826 CD LYS A 55 -5.059 7.664 5.025 1.00 10.00 C ATOM 827 CE LYS A 55 -3.861 8.017 5.931 1.00 10.00 C ATOM 828 NZ LYS A 55 -2.643 8.396 5.185 1.00 10.00 N ATOM 0 H LYS A 55 -6.242 7.573 9.364 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.792 8.980 7.533 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.694 7.137 7.505 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.987 6.253 6.721 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.213 7.861 4.983 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.403 9.113 5.904 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.051 6.596 4.809 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -4.960 8.182 4.071 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.144 8.839 6.589 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -3.635 7.162 6.568 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -1.931 8.765 5.847 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -2.262 7.561 4.696 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -2.878 9.129 4.486 1.00 10.00 H new ATOM 842 N GLY A 56 -9.127 6.051 8.312 1.00 10.00 N ATOM 843 CA GLY A 56 -10.381 5.309 8.344 1.00 10.00 C ATOM 844 C GLY A 56 -10.921 4.887 6.970 1.00 10.00 C ATOM 845 O GLY A 56 -12.048 4.374 6.888 1.00 10.00 O ATOM 0 H GLY A 56 -8.342 5.556 8.735 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.242 4.416 8.953 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.134 5.920 8.842 1.00 10.00 H new ATOM 849 N ILE A 57 -10.111 5.062 5.918 1.00 10.00 N ATOM 850 CA ILE A 57 -10.458 4.779 4.533 1.00 10.00 C ATOM 851 C ILE A 57 -10.281 3.301 4.227 1.00 10.00 C ATOM 852 O ILE A 57 -9.539 2.608 4.923 1.00 10.00 O ATOM 853 CB ILE A 57 -9.628 5.629 3.552 1.00 10.00 C ATOM 854 CG1 ILE A 57 -8.110 5.388 3.685 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.004 7.103 3.732 1.00 10.00 C ATOM 856 CD1 ILE A 57 -7.232 6.057 2.624 1.00 10.00 C ATOM 0 H ILE A 57 -9.161 5.419 6.020 1.00 10.00 H new ATOM 0 HA ILE A 57 -11.507 5.045 4.400 1.00 10.00 H new ATOM 0 HB ILE A 57 -9.870 5.321 2.535 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -7.791 5.738 4.667 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -7.928 4.314 3.655 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -9.422 7.714 3.042 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.066 7.235 3.526 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -9.792 7.410 4.756 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -6.185 5.820 2.816 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -7.512 5.691 1.636 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -7.372 7.137 2.664 1.00 10.00 H new ATOM 868 N THR A 58 -10.982 2.846 3.187 1.00 10.00 N ATOM 869 CA THR A 58 -10.962 1.472 2.718 1.00 10.00 C ATOM 870 C THR A 58 -9.885 1.295 1.651 1.00 10.00 C ATOM 871 O THR A 58 -9.253 2.264 1.228 1.00 10.00 O ATOM 872 CB THR A 58 -12.345 1.092 2.160 1.00 10.00 C ATOM 873 OG1 THR A 58 -12.617 1.760 0.943 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.459 1.398 3.162 1.00 10.00 C ATOM 0 H THR A 58 -11.595 3.446 2.636 1.00 10.00 H new ATOM 0 HA THR A 58 -10.728 0.812 3.553 1.00 10.00 H new ATOM 0 HB THR A 58 -12.319 0.018 1.976 1.00 10.00 H new ATOM 0 HG1 THR A 58 -13.502 1.495 0.615 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.421 1.117 2.734 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.290 0.832 4.078 1.00 10.00 H new ATOM 0 HG23 THR A 58 -13.461 2.464 3.390 1.00 10.00 H new ATOM 882 N TRP A 59 -9.727 0.056 1.183 1.00 10.00 N ATOM 883 CA TRP A 59 -8.829 -0.293 0.103 1.00 10.00 C ATOM 884 C TRP A 59 -9.578 -1.187 -0.880 1.00 10.00 C ATOM 885 O TRP A 59 -10.035 -2.272 -0.510 1.00 10.00 O ATOM 886 CB TRP A 59 -7.608 -0.979 0.700 1.00 10.00 C ATOM 887 CG TRP A 59 -6.966 -0.208 1.808 1.00 10.00 C ATOM 888 CD1 TRP A 59 -7.018 -0.523 3.121 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.202 1.030 1.720 1.00 10.00 C ATOM 890 NE1 TRP A 59 -6.231 0.360 3.832 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.710 1.349 3.018 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.866 1.911 0.669 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.892 2.467 3.249 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.094 3.062 0.902 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.610 3.341 2.191 1.00 10.00 C ATOM 0 H TRP A 59 -10.235 -0.744 1.559 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.487 0.586 -0.443 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.900 -1.960 1.074 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.874 -1.144 -0.088 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.586 -1.337 3.547 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -6.055 0.292 4.834 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.209 1.696 -0.332 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.485 2.651 4.232 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.872 3.735 0.087 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.021 4.229 2.366 1.00 10.00 H new ATOM 906 N LYS A 60 -9.739 -0.691 -2.110 1.00 10.00 N ATOM 907 CA LYS A 60 -10.485 -1.342 -3.177 1.00 10.00 C ATOM 908 C LYS A 60 -10.070 -0.755 -4.531 1.00 10.00 C ATOM 909 O LYS A 60 -10.923 -0.400 -5.336 1.00 10.00 O ATOM 910 CB LYS A 60 -11.993 -1.163 -2.936 1.00 10.00 C ATOM 911 CG LYS A 60 -12.417 0.321 -2.918 1.00 10.00 C ATOM 912 CD LYS A 60 -13.817 0.510 -3.516 1.00 10.00 C ATOM 913 CE LYS A 60 -14.890 0.193 -2.471 1.00 10.00 C ATOM 914 NZ LYS A 60 -16.242 0.239 -3.060 1.00 10.00 N ATOM 0 H LYS A 60 -9.339 0.203 -2.394 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.262 -2.409 -3.184 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.547 -1.686 -3.716 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.263 -1.626 -1.987 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.404 0.692 -1.893 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.696 0.914 -3.481 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.934 1.535 -3.868 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.940 -0.140 -4.382 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.708 -0.795 -2.049 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -14.824 0.907 -1.650 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -16.947 0.020 -2.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -16.422 1.190 -3.441 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -16.311 -0.460 -3.827 1.00 10.00 H new ATOM 928 N GLU A 61 -8.766 -0.571 -4.741 1.00 10.00 N ATOM 929 CA GLU A 61 -8.174 0.082 -5.904 1.00 10.00 C ATOM 930 C GLU A 61 -8.441 1.585 -5.996 1.00 10.00 C ATOM 931 O GLU A 61 -7.479 2.321 -6.136 1.00 10.00 O ATOM 932 CB GLU A 61 -8.379 -0.691 -7.214 1.00 10.00 C ATOM 933 CG GLU A 61 -9.545 -0.328 -8.141 1.00 10.00 C ATOM 934 CD GLU A 61 -9.828 -1.534 -9.015 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.070 -1.762 -9.978 1.00 10.00 O ATOM 936 OE2 GLU A 61 -10.639 -2.390 -8.600 1.00 10.00 O ATOM 0 H GLU A 61 -8.064 -0.889 -4.073 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.099 0.034 -5.728 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.461 -0.596 -7.794 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.485 -1.745 -6.956 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.427 -0.061 -7.560 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -9.292 0.538 -8.753 1.00 10.00 H new ATOM 943 N GLU A 62 -9.687 2.056 -5.886 1.00 10.00 N ATOM 944 CA GLU A 62 -10.031 3.481 -5.968 1.00 10.00 C ATOM 945 C GLU A 62 -9.144 4.348 -5.065 1.00 10.00 C ATOM 946 O GLU A 62 -8.279 5.081 -5.537 1.00 10.00 O ATOM 947 CB GLU A 62 -11.509 3.675 -5.570 1.00 10.00 C ATOM 948 CG GLU A 62 -12.466 3.893 -6.741 1.00 10.00 C ATOM 949 CD GLU A 62 -13.857 4.182 -6.187 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.052 5.330 -5.733 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.670 3.232 -6.147 1.00 10.00 O ATOM 0 H GLU A 62 -10.495 1.452 -5.736 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.865 3.800 -6.997 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.837 2.800 -5.009 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.580 4.530 -4.897 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.125 4.724 -7.358 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.489 3.010 -7.380 1.00 10.00 H new ATOM 958 N THR A 63 -9.372 4.297 -3.752 1.00 10.00 N ATOM 959 CA THR A 63 -8.667 5.158 -2.817 1.00 10.00 C ATOM 960 C THR A 63 -7.154 4.971 -2.964 1.00 10.00 C ATOM 961 O THR A 63 -6.377 5.925 -2.925 1.00 10.00 O ATOM 962 CB THR A 63 -9.157 4.836 -1.400 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.551 4.588 -1.426 1.00 10.00 O ATOM 964 CG2 THR A 63 -8.868 6.010 -0.471 1.00 10.00 C ATOM 0 H THR A 63 -10.043 3.664 -3.316 1.00 10.00 H new ATOM 0 HA THR A 63 -8.875 6.207 -3.027 1.00 10.00 H new ATOM 0 HB THR A 63 -8.635 3.952 -1.034 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.863 4.381 -0.521 1.00 10.00 H new ATOM 0 HG21 THR A 63 -9.219 5.774 0.534 1.00 10.00 H new ATOM 0 HG22 THR A 63 -7.795 6.198 -0.446 1.00 10.00 H new ATOM 0 HG23 THR A 63 -9.384 6.898 -0.836 1.00 10.00 H new ATOM 972 N LEU A 64 -6.757 3.711 -3.155 1.00 10.00 N ATOM 973 CA LEU A 64 -5.392 3.266 -3.314 1.00 10.00 C ATOM 974 C LEU A 64 -4.705 3.922 -4.520 1.00 10.00 C ATOM 975 O LEU A 64 -3.590 4.416 -4.390 1.00 10.00 O ATOM 976 CB LEU A 64 -5.414 1.736 -3.401 1.00 10.00 C ATOM 977 CG LEU A 64 -4.242 1.103 -2.668 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.449 -0.407 -2.658 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.908 1.478 -3.307 1.00 10.00 C ATOM 0 H LEU A 64 -7.424 2.941 -3.204 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.793 3.574 -2.457 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -6.348 1.363 -2.980 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -5.392 1.433 -4.448 1.00 10.00 H new ATOM 0 HG LEU A 64 -4.205 1.479 -1.645 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.619 -0.885 -2.137 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.383 -0.643 -2.147 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.493 -0.775 -3.683 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.095 1.007 -2.755 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.891 1.135 -4.342 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.784 2.561 -3.282 1.00 10.00 H new ATOM 991 N MET A 65 -5.358 3.954 -5.685 1.00 10.00 N ATOM 992 CA MET A 65 -4.883 4.621 -6.884 1.00 10.00 C ATOM 993 C MET A 65 -4.391 6.028 -6.556 1.00 10.00 C ATOM 994 O MET A 65 -3.304 6.421 -6.985 1.00 10.00 O ATOM 995 CB MET A 65 -6.016 4.652 -7.933 1.00 10.00 C ATOM 996 CG MET A 65 -5.855 3.542 -8.969 1.00 10.00 C ATOM 997 SD MET A 65 -6.698 3.870 -10.540 1.00 10.00 S ATOM 998 CE MET A 65 -5.903 2.635 -11.590 1.00 10.00 C ATOM 0 H MET A 65 -6.261 3.499 -5.816 1.00 10.00 H new ATOM 0 HA MET A 65 -4.039 4.069 -7.297 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.979 4.546 -7.433 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.022 5.620 -8.434 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.793 3.392 -9.163 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.238 2.611 -8.551 1.00 10.00 H new ATOM 0 HE1 MET A 65 -6.309 2.700 -12.600 1.00 10.00 H new ATOM 0 HE2 MET A 65 -4.829 2.818 -11.618 1.00 10.00 H new ATOM 0 HE3 MET A 65 -6.091 1.640 -11.187 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.182 6.754 -5.767 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.860 8.108 -5.365 1.00 10.00 C ATOM 1010 C GLU A 66 -3.778 8.055 -4.290 1.00 10.00 C ATOM 1011 O GLU A 66 -2.835 8.833 -4.322 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.139 8.809 -4.886 1.00 10.00 C ATOM 1013 CG GLU A 66 -7.099 9.088 -6.050 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.556 10.171 -6.975 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -6.320 11.285 -6.456 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -6.364 9.856 -8.169 1.00 10.00 O ATOM 0 H GLU A 66 -6.066 6.411 -5.391 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.468 8.688 -6.201 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.638 8.188 -4.142 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.879 9.747 -4.395 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -7.261 8.171 -6.617 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -8.068 9.396 -5.658 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.894 7.128 -3.337 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.923 6.957 -2.263 1.00 10.00 C ATOM 1025 C TYR A 67 -1.505 6.848 -2.819 1.00 10.00 C ATOM 1026 O TYR A 67 -0.603 7.561 -2.380 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.290 5.728 -1.421 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.706 5.741 -0.017 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -3.136 6.746 0.861 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.797 4.763 0.443 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -2.645 6.802 2.169 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.335 4.794 1.780 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.766 5.818 2.651 1.00 10.00 C ATOM 1034 OH TYR A 67 -1.440 5.876 3.981 1.00 10.00 O ATOM 0 H TYR A 67 -4.673 6.471 -3.292 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.950 7.837 -1.620 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.376 5.660 -1.351 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.947 4.831 -1.937 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.851 7.482 0.525 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.454 3.989 -0.228 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.945 7.612 2.817 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.653 4.035 2.134 1.00 10.00 H new ATOM 0 HH TYR A 67 -1.075 5.012 4.266 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.311 5.961 -3.798 1.00 10.00 N ATOM 1045 CA LEU A 68 -0.022 5.840 -4.453 1.00 10.00 C ATOM 1046 C LEU A 68 0.239 7.097 -5.279 1.00 10.00 C ATOM 1047 O LEU A 68 1.309 7.678 -5.147 1.00 10.00 O ATOM 1048 CB LEU A 68 0.105 4.557 -5.286 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.315 3.286 -4.534 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.054 2.041 -5.346 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.269 3.165 -3.118 1.00 10.00 C ATOM 0 H LEU A 68 -2.028 5.325 -4.147 1.00 10.00 H new ATOM 0 HA LEU A 68 0.748 5.754 -3.686 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.506 4.656 -6.183 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.139 4.449 -5.614 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.396 3.363 -4.415 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.250 1.148 -4.800 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.457 2.070 -6.308 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.132 2.018 -5.508 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.078 2.239 -2.659 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.358 3.157 -3.173 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -0.058 4.013 -2.516 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.713 7.563 -6.096 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.527 8.780 -6.893 1.00 10.00 C ATOM 1065 C GLU A 69 -0.752 10.057 -6.089 1.00 10.00 C ATOM 1066 O GLU A 69 -1.363 10.985 -6.600 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.422 8.733 -8.141 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.803 9.376 -9.397 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.508 10.867 -9.321 1.00 10.00 C ATOM 1070 OE1 GLU A 69 0.613 11.195 -8.876 1.00 10.00 O ATOM 1071 OE2 GLU A 69 -1.369 11.627 -9.815 1.00 10.00 O ATOM 0 H GLU A 69 -1.621 7.115 -6.222 1.00 10.00 H new ATOM 0 HA GLU A 69 0.516 8.809 -7.207 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.662 7.693 -8.362 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -2.363 9.236 -7.917 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.127 8.855 -9.624 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.477 9.204 -10.236 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.260 10.120 -4.848 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.390 11.271 -3.955 1.00 10.00 C ATOM 1080 C ASN A 70 -0.163 10.821 -2.506 1.00 10.00 C ATOM 1081 O ASN A 70 -1.059 10.918 -1.667 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.768 11.954 -4.104 1.00 10.00 C ATOM 1083 CG ASN A 70 -1.801 13.166 -5.032 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -0.841 13.929 -5.114 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -2.929 13.386 -5.702 1.00 10.00 N ATOM 0 H ASN A 70 0.255 9.347 -4.426 1.00 10.00 H new ATOM 0 HA ASN A 70 0.366 12.007 -4.229 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.482 11.217 -4.471 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.110 12.264 -3.116 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -3.013 14.206 -6.303 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.709 12.735 -5.614 1.00 10.00 H new ATOM 1092 N PRO A 71 1.050 10.370 -2.152 1.00 10.00 N ATOM 1093 CA PRO A 71 1.321 10.007 -0.778 1.00 10.00 C ATOM 1094 C PRO A 71 1.292 11.270 0.093 1.00 10.00 C ATOM 1095 O PRO A 71 0.496 11.381 1.025 1.00 10.00 O ATOM 1096 CB PRO A 71 2.678 9.308 -0.799 1.00 10.00 C ATOM 1097 CG PRO A 71 3.360 9.738 -2.102 1.00 10.00 C ATOM 1098 CD PRO A 71 2.225 10.234 -3.000 1.00 10.00 C ATOM 0 HA PRO A 71 0.578 9.336 -0.347 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.276 9.593 0.066 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.559 8.225 -0.761 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.093 10.524 -1.923 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.892 8.905 -2.562 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.484 11.188 -3.459 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.038 9.530 -3.811 1.00 10.00 H new ATOM 1106 N LYS A 72 2.123 12.261 -0.245 1.00 10.00 N ATOM 1107 CA LYS A 72 2.182 13.542 0.447 1.00 10.00 C ATOM 1108 C LYS A 72 1.049 14.461 -0.023 1.00 10.00 C ATOM 1109 O LYS A 72 1.283 15.559 -0.527 1.00 10.00 O ATOM 1110 CB LYS A 72 3.581 14.181 0.345 1.00 10.00 C ATOM 1111 CG LYS A 72 4.127 14.506 -1.061 1.00 10.00 C ATOM 1112 CD LYS A 72 4.670 13.280 -1.814 1.00 10.00 C ATOM 1113 CE LYS A 72 5.998 13.592 -2.539 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.705 12.376 -3.016 1.00 10.00 N ATOM 0 H LYS A 72 2.782 12.189 -1.020 1.00 10.00 H new ATOM 0 HA LYS A 72 2.021 13.372 1.512 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.568 15.106 0.921 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.290 13.512 0.832 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.333 14.962 -1.653 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.922 15.246 -0.970 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.824 12.461 -1.111 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.930 12.943 -2.540 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.796 14.244 -3.389 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.652 14.143 -1.864 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.380 12.637 -3.763 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.218 11.939 -2.224 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.013 11.699 -3.396 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.188 13.994 0.142 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.386 14.765 -0.167 1.00 10.00 C ATOM 1130 C LYS A 73 -2.484 14.455 0.850 1.00 10.00 C ATOM 1131 O LYS A 73 -3.008 15.372 1.474 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.850 14.466 -1.599 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.332 15.703 -2.378 1.00 10.00 C ATOM 1134 CD LYS A 73 -1.244 16.301 -3.288 1.00 10.00 C ATOM 1135 CE LYS A 73 -0.645 17.613 -2.774 1.00 10.00 C ATOM 1136 NZ LYS A 73 0.437 18.077 -3.668 1.00 10.00 N ATOM 0 H LYS A 73 -0.386 13.059 0.498 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.158 15.829 -0.103 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.028 14.004 -2.146 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.659 13.736 -1.562 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.196 15.430 -2.984 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -2.666 16.463 -1.672 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -0.443 15.571 -3.406 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -1.668 16.472 -4.278 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -1.423 18.374 -2.711 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -0.255 17.471 -1.766 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 0.831 18.968 -3.303 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 1.187 17.358 -3.708 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 0.056 18.233 -4.623 1.00 10.00 H new ATOM 1150 N TYR A 74 -2.820 13.167 1.013 1.00 10.00 N ATOM 1151 CA TYR A 74 -3.880 12.712 1.912 1.00 10.00 C ATOM 1152 C TYR A 74 -3.772 13.366 3.289 1.00 10.00 C ATOM 1153 O TYR A 74 -4.743 13.928 3.787 1.00 10.00 O ATOM 1154 CB TYR A 74 -3.841 11.183 2.053 1.00 10.00 C ATOM 1155 CG TYR A 74 -4.702 10.443 1.049 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.251 10.250 -0.268 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.983 9.992 1.421 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.054 9.557 -1.190 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.774 9.284 0.502 1.00 10.00 C ATOM 1160 CZ TYR A 74 -6.294 9.032 -0.792 1.00 10.00 C ATOM 1161 OH TYR A 74 -7.027 8.247 -1.628 1.00 10.00 O ATOM 0 H TYR A 74 -2.355 12.407 0.517 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.832 13.009 1.473 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -2.810 10.846 1.948 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.163 10.914 3.059 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.288 10.634 -0.571 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.358 10.191 2.414 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -4.716 9.428 -2.208 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -7.753 8.933 0.792 1.00 10.00 H new ATOM 0 HH TYR A 74 -6.480 7.492 -1.931 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.598 13.254 3.915 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.331 13.850 5.215 1.00 10.00 C ATOM 1173 C ILE A 75 -0.811 13.904 5.404 1.00 10.00 C ATOM 1174 O ILE A 75 -0.143 12.899 5.144 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.035 13.043 6.327 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -3.035 13.831 7.646 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -2.423 11.646 6.510 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -3.778 13.093 8.763 1.00 10.00 C ATOM 0 H ILE A 75 -1.805 12.743 3.527 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.729 14.863 5.271 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.068 12.890 6.016 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -2.007 14.015 7.957 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -3.499 14.804 7.485 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -2.952 11.118 7.303 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.511 11.085 5.579 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.371 11.742 6.778 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -3.750 13.690 9.675 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.814 12.932 8.466 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -3.299 12.131 8.945 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.232 15.037 5.833 1.00 10.00 N ATOM 1191 CA PRO A 76 1.203 15.147 6.043 1.00 10.00 C ATOM 1192 C PRO A 76 1.633 14.442 7.342 1.00 10.00 C ATOM 1193 O PRO A 76 2.108 15.079 8.277 1.00 10.00 O ATOM 1194 CB PRO A 76 1.493 16.653 6.023 1.00 10.00 C ATOM 1195 CG PRO A 76 0.191 17.282 6.521 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.887 16.325 6.009 1.00 10.00 C ATOM 0 HA PRO A 76 1.785 14.643 5.272 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.333 16.907 6.670 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.746 16.998 5.021 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.174 17.361 7.608 1.00 10.00 H new ATOM 0 HG3 PRO A 76 0.055 18.289 6.126 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.711 16.250 6.719 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.308 16.680 5.068 1.00 10.00 H new ATOM 1204 N GLY A 77 1.502 13.111 7.382 1.00 10.00 N ATOM 1205 CA GLY A 77 2.085 12.269 8.429 1.00 10.00 C ATOM 1206 C GLY A 77 2.056 10.788 8.041 1.00 10.00 C ATOM 1207 O GLY A 77 1.930 9.923 8.904 1.00 10.00 O ATOM 0 H GLY A 77 0.982 12.584 6.680 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.114 12.577 8.614 1.00 10.00 H new ATOM 0 HA3 GLY A 77 1.537 12.413 9.360 1.00 10.00 H new ATOM 1211 N THR A 78 2.163 10.495 6.740 1.00 10.00 N ATOM 1212 CA THR A 78 2.281 9.139 6.208 1.00 10.00 C ATOM 1213 C THR A 78 3.767 8.814 6.019 1.00 10.00 C ATOM 1214 O THR A 78 4.639 9.510 6.538 1.00 10.00 O ATOM 1215 CB THR A 78 1.450 9.025 4.909 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.504 7.739 4.317 1.00 10.00 O ATOM 1217 CG2 THR A 78 1.890 10.019 3.830 1.00 10.00 C ATOM 0 H THR A 78 2.170 11.212 6.015 1.00 10.00 H new ATOM 0 HA THR A 78 1.876 8.399 6.899 1.00 10.00 H new ATOM 0 HB THR A 78 0.435 9.243 5.241 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.621 7.062 5.016 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.270 9.891 2.943 1.00 10.00 H new ATOM 0 HG22 THR A 78 1.780 11.036 4.206 1.00 10.00 H new ATOM 0 HG23 THR A 78 2.934 9.838 3.573 1.00 10.00 H new ATOM 1225 N LYS A 79 4.054 7.779 5.234 1.00 10.00 N ATOM 1226 CA LYS A 79 5.378 7.382 4.818 1.00 10.00 C ATOM 1227 C LYS A 79 5.404 7.579 3.313 1.00 10.00 C ATOM 1228 O LYS A 79 5.247 6.636 2.539 1.00 10.00 O ATOM 1229 CB LYS A 79 5.624 5.937 5.257 1.00 10.00 C ATOM 1230 CG LYS A 79 6.884 5.352 4.609 1.00 10.00 C ATOM 1231 CD LYS A 79 7.503 4.278 5.510 1.00 10.00 C ATOM 1232 CE LYS A 79 8.347 4.864 6.654 1.00 10.00 C ATOM 1233 NZ LYS A 79 9.664 5.352 6.191 1.00 10.00 N ATOM 0 H LYS A 79 3.327 7.170 4.857 1.00 10.00 H new ATOM 0 HA LYS A 79 6.179 7.967 5.269 1.00 10.00 H new ATOM 0 HB2 LYS A 79 5.722 5.898 6.342 1.00 10.00 H new ATOM 0 HB3 LYS A 79 4.762 5.325 4.993 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.635 4.922 3.639 1.00 10.00 H new ATOM 0 HG3 LYS A 79 7.609 6.146 4.429 1.00 10.00 H new ATOM 0 HD2 LYS A 79 6.708 3.663 5.931 1.00 10.00 H new ATOM 0 HD3 LYS A 79 8.128 3.621 4.905 1.00 10.00 H new ATOM 0 HE2 LYS A 79 7.802 5.685 7.120 1.00 10.00 H new ATOM 0 HE3 LYS A 79 8.494 4.103 7.420 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 10.195 5.737 6.998 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 10.197 4.565 5.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 9.527 6.098 5.479 1.00 10.00 H new ATOM 1247 N MET A 80 5.565 8.831 2.891 1.00 10.00 N ATOM 1248 CA MET A 80 5.660 9.104 1.476 1.00 10.00 C ATOM 1249 C MET A 80 6.955 8.547 0.910 1.00 10.00 C ATOM 1250 O MET A 80 7.874 8.215 1.659 1.00 10.00 O ATOM 1251 CB MET A 80 5.504 10.601 1.196 1.00 10.00 C ATOM 1252 CG MET A 80 6.707 11.466 1.615 1.00 10.00 C ATOM 1253 SD MET A 80 7.526 12.363 0.258 1.00 10.00 S ATOM 1254 CE MET A 80 9.155 11.581 0.238 1.00 10.00 C ATOM 0 H MET A 80 5.630 9.648 3.498 1.00 10.00 H new ATOM 0 HA MET A 80 4.839 8.598 0.968 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.329 10.740 0.129 1.00 10.00 H new ATOM 0 HB3 MET A 80 4.616 10.963 1.715 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.372 12.190 2.358 1.00 10.00 H new ATOM 0 HG3 MET A 80 7.442 10.826 2.102 1.00 10.00 H new ATOM 0 HE1 MET A 80 9.694 11.887 -0.659 1.00 10.00 H new ATOM 0 HE2 MET A 80 9.716 11.887 1.121 1.00 10.00 H new ATOM 0 HE3 MET A 80 9.038 10.497 0.240 1.00 10.00 H new ATOM 1264 N ILE A 81 7.028 8.487 -0.420 1.00 10.00 N ATOM 1265 CA ILE A 81 8.235 8.088 -1.108 1.00 10.00 C ATOM 1266 C ILE A 81 8.493 8.975 -2.321 1.00 10.00 C ATOM 1267 O ILE A 81 7.770 9.962 -2.509 1.00 10.00 O ATOM 1268 CB ILE A 81 8.248 6.563 -1.395 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.869 6.050 -1.849 1.00 10.00 C ATOM 1270 CG2 ILE A 81 8.780 5.781 -0.187 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.871 4.548 -2.148 1.00 10.00 C ATOM 0 H ILE A 81 6.250 8.714 -1.040 1.00 10.00 H new ATOM 0 HA ILE A 81 9.090 8.250 -0.452 1.00 10.00 H new ATOM 0 HB ILE A 81 8.932 6.391 -2.226 1.00 10.00 H new ATOM 0 HG12 ILE A 81 6.133 6.262 -1.073 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.558 6.594 -2.741 1.00 10.00 H new ATOM 0 HG21 ILE A 81 8.779 4.715 -0.414 1.00 10.00 H new ATOM 0 HG22 ILE A 81 9.797 6.103 0.036 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.143 5.968 0.677 1.00 10.00 H new ATOM 0 HD11 ILE A 81 5.875 4.239 -2.464 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.586 4.336 -2.943 1.00 10.00 H new ATOM 0 HD13 ILE A 81 7.154 3.999 -1.250 1.00 10.00 H new ATOM 1283 N PHE A 82 9.566 8.640 -3.061 1.00 10.00 N ATOM 1284 CA PHE A 82 10.127 9.336 -4.215 1.00 10.00 C ATOM 1285 C PHE A 82 9.081 10.243 -4.867 1.00 10.00 C ATOM 1286 O PHE A 82 9.140 11.470 -4.772 1.00 10.00 O ATOM 1287 CB PHE A 82 10.784 8.316 -5.184 1.00 10.00 C ATOM 1288 CG PHE A 82 9.888 7.225 -5.767 1.00 10.00 C ATOM 1289 CD1 PHE A 82 9.633 6.036 -5.055 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.258 7.421 -7.010 1.00 10.00 C ATOM 1291 CE1 PHE A 82 8.585 5.187 -5.460 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.179 6.604 -7.386 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.778 5.544 -6.554 1.00 10.00 C ATOM 0 H PHE A 82 10.103 7.801 -2.841 1.00 10.00 H new ATOM 0 HA PHE A 82 10.925 10.006 -3.894 1.00 10.00 H new ATOM 0 HB2 PHE A 82 11.221 8.872 -6.013 1.00 10.00 H new ATOM 0 HB3 PHE A 82 11.606 7.831 -4.657 1.00 10.00 H new ATOM 0 HD1 PHE A 82 10.240 5.776 -4.200 1.00 10.00 H new ATOM 0 HD2 PHE A 82 9.604 8.199 -7.674 1.00 10.00 H new ATOM 0 HE1 PHE A 82 8.402 4.263 -4.931 1.00 10.00 H new ATOM 0 HE2 PHE A 82 7.658 6.790 -8.313 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.860 5.010 -6.753 1.00 10.00 H new ATOM 1303 N ALA A 83 8.046 9.624 -5.420 1.00 10.00 N ATOM 1304 CA ALA A 83 6.877 10.261 -5.980 1.00 10.00 C ATOM 1305 C ALA A 83 5.815 9.175 -6.076 1.00 10.00 C ATOM 1306 O ALA A 83 6.014 8.078 -5.551 1.00 10.00 O ATOM 1307 CB ALA A 83 7.229 10.906 -7.324 1.00 10.00 C ATOM 0 H ALA A 83 8.004 8.607 -5.490 1.00 10.00 H new ATOM 0 HA ALA A 83 6.497 11.077 -5.365 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.343 11.385 -7.741 1.00 10.00 H new ATOM 0 HB2 ALA A 83 8.009 11.653 -7.176 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.586 10.140 -8.013 1.00 10.00 H new ATOM 1313 N GLY A 84 4.688 9.477 -6.716 1.00 10.00 N ATOM 1314 CA GLY A 84 3.698 8.459 -6.991 1.00 10.00 C ATOM 1315 C GLY A 84 4.249 7.421 -7.963 1.00 10.00 C ATOM 1316 O GLY A 84 5.331 7.584 -8.526 1.00 10.00 O ATOM 0 H GLY A 84 4.446 10.411 -7.048 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.401 7.973 -6.062 1.00 10.00 H new ATOM 0 HA3 GLY A 84 2.803 8.919 -7.411 1.00 10.00 H new ATOM 1320 N ILE A 85 3.506 6.331 -8.161 1.00 10.00 N ATOM 1321 CA ILE A 85 3.870 5.320 -9.137 1.00 10.00 C ATOM 1322 C ILE A 85 4.016 5.970 -10.516 1.00 10.00 C ATOM 1323 O ILE A 85 3.388 6.990 -10.791 1.00 10.00 O ATOM 1324 CB ILE A 85 2.828 4.184 -9.115 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.271 3.014 -8.239 1.00 10.00 C ATOM 1326 CG2 ILE A 85 2.458 3.654 -10.499 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.364 2.140 -8.852 1.00 10.00 C ATOM 0 H ILE A 85 2.645 6.131 -7.652 1.00 10.00 H new ATOM 0 HA ILE A 85 4.834 4.875 -8.889 1.00 10.00 H new ATOM 0 HB ILE A 85 1.938 4.647 -8.689 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.628 3.405 -7.286 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.404 2.390 -8.023 1.00 10.00 H new ATOM 0 HG21 ILE A 85 1.721 2.858 -10.398 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.040 4.463 -11.098 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.350 3.263 -10.989 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.616 1.335 -8.162 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.007 1.715 -9.790 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.250 2.746 -9.042 1.00 10.00 H new ATOM 1339 N LYS A 86 4.829 5.333 -11.367 1.00 10.00 N ATOM 1340 CA LYS A 86 5.201 5.780 -12.704 1.00 10.00 C ATOM 1341 C LYS A 86 4.067 6.527 -13.411 1.00 10.00 C ATOM 1342 O LYS A 86 4.285 7.631 -13.901 1.00 10.00 O ATOM 1343 CB LYS A 86 5.675 4.593 -13.560 1.00 10.00 C ATOM 1344 CG LYS A 86 6.717 3.713 -12.859 1.00 10.00 C ATOM 1345 CD LYS A 86 7.475 2.848 -13.886 1.00 10.00 C ATOM 1346 CE LYS A 86 8.518 1.936 -13.218 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.697 0.659 -13.941 1.00 10.00 N ATOM 0 H LYS A 86 5.266 4.444 -11.123 1.00 10.00 H new ATOM 0 HA LYS A 86 6.023 6.486 -12.583 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.814 3.981 -13.827 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.097 4.972 -14.491 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.422 4.340 -12.312 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.226 3.072 -12.127 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.763 2.237 -14.441 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.971 3.496 -14.609 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.473 2.458 -13.167 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.212 1.730 -12.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.409 0.080 -13.452 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 7.793 0.146 -13.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.015 0.852 -14.912 1.00 10.00 H new ATOM 1361 N LYS A 87 2.878 5.913 -13.473 1.00 10.00 N ATOM 1362 CA LYS A 87 1.652 6.498 -13.983 1.00 10.00 C ATOM 1363 C LYS A 87 0.476 5.546 -13.737 1.00 10.00 C ATOM 1364 O LYS A 87 0.628 4.501 -13.103 1.00 10.00 O ATOM 1365 CB LYS A 87 1.801 6.817 -15.473 1.00 10.00 C ATOM 1366 CG LYS A 87 1.854 5.544 -16.321 1.00 10.00 C ATOM 1367 CD LYS A 87 2.798 5.685 -17.514 1.00 10.00 C ATOM 1368 CE LYS A 87 4.261 5.737 -17.041 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.139 4.925 -17.903 1.00 10.00 N ATOM 0 H LYS A 87 2.749 4.953 -13.153 1.00 10.00 H new ATOM 0 HA LYS A 87 1.452 7.431 -13.456 1.00 10.00 H new ATOM 0 HB2 LYS A 87 0.965 7.436 -15.798 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.709 7.398 -15.632 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.178 4.709 -15.700 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.852 5.305 -16.679 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.660 4.846 -18.196 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.557 6.591 -18.071 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.607 6.771 -17.039 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.325 5.378 -16.014 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.117 4.983 -17.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.823 3.934 -17.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.097 5.284 -18.878 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.699 5.904 -14.263 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.933 5.163 -14.054 1.00 10.00 C ATOM 1385 C LYS A 88 -1.816 3.711 -14.516 1.00 10.00 C ATOM 1386 O LYS A 88 -2.210 2.805 -13.788 1.00 10.00 O ATOM 1387 CB LYS A 88 -3.133 5.907 -14.661 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.997 6.432 -16.107 1.00 10.00 C ATOM 1389 CD LYS A 88 -2.930 7.974 -16.154 1.00 10.00 C ATOM 1390 CE LYS A 88 -3.355 8.567 -17.511 1.00 10.00 C ATOM 1391 NZ LYS A 88 -2.276 8.574 -18.520 1.00 10.00 N ATOM 0 H LYS A 88 -0.815 6.728 -14.853 1.00 10.00 H new ATOM 0 HA LYS A 88 -2.117 5.108 -12.981 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.994 5.239 -14.627 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.362 6.756 -14.016 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -2.098 6.015 -16.562 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.844 6.087 -16.700 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -3.571 8.382 -15.372 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -1.912 8.292 -15.930 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -4.199 7.996 -17.898 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.704 9.588 -17.358 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -2.632 8.986 -19.406 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -1.478 9.142 -18.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -1.958 7.599 -18.694 1.00 10.00 H new ATOM 1405 N THR A 89 -1.236 3.505 -15.699 1.00 10.00 N ATOM 1406 CA THR A 89 -0.942 2.210 -16.285 1.00 10.00 C ATOM 1407 C THR A 89 -0.318 1.293 -15.230 1.00 10.00 C ATOM 1408 O THR A 89 -0.894 0.280 -14.833 1.00 10.00 O ATOM 1409 CB THR A 89 0.018 2.482 -17.457 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.441 3.627 -18.159 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.150 1.290 -18.406 1.00 10.00 C ATOM 0 H THR A 89 -0.947 4.278 -16.298 1.00 10.00 H new ATOM 0 HA THR A 89 -1.838 1.702 -16.643 1.00 10.00 H new ATOM 0 HB THR A 89 1.013 2.655 -17.048 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.162 3.815 -18.909 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.839 1.541 -19.212 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.531 0.429 -17.857 1.00 10.00 H new ATOM 0 HG23 THR A 89 -0.827 1.049 -18.826 1.00 10.00 H new ATOM 1419 N GLU A 90 0.848 1.710 -14.735 1.00 10.00 N ATOM 1420 CA GLU A 90 1.581 0.990 -13.727 1.00 10.00 C ATOM 1421 C GLU A 90 0.759 0.780 -12.456 1.00 10.00 C ATOM 1422 O GLU A 90 0.801 -0.315 -11.906 1.00 10.00 O ATOM 1423 CB GLU A 90 2.860 1.753 -13.399 1.00 10.00 C ATOM 1424 CG GLU A 90 4.095 1.249 -14.163 1.00 10.00 C ATOM 1425 CD GLU A 90 4.295 1.779 -15.584 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.678 2.807 -15.948 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.163 1.190 -16.266 1.00 10.00 O ATOM 0 H GLU A 90 1.305 2.571 -15.036 1.00 10.00 H new ATOM 0 HA GLU A 90 1.819 0.003 -14.123 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.710 2.809 -13.625 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.051 1.680 -12.328 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.981 1.501 -13.580 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.043 0.161 -14.211 1.00 10.00 H new ATOM 1434 N ARG A 91 0.063 1.806 -11.944 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.764 1.617 -10.750 1.00 10.00 C ATOM 1436 C ARG A 91 -1.728 0.456 -11.000 1.00 10.00 C ATOM 1437 O ARG A 91 -1.862 -0.432 -10.164 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.574 2.881 -10.409 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.960 3.750 -9.299 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.724 5.175 -9.797 1.00 10.00 C ATOM 1441 NE ARG A 91 -1.992 5.843 -10.127 1.00 10.00 N ATOM 1442 CZ ARG A 91 -2.109 6.884 -10.966 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -1.020 7.361 -11.582 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -3.304 7.446 -11.177 1.00 10.00 N ATOM 0 H ARG A 91 0.057 2.751 -12.328 1.00 10.00 H new ATOM 0 HA ARG A 91 -0.106 1.404 -9.908 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.678 3.485 -11.310 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.578 2.584 -10.107 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.624 3.767 -8.434 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.017 3.314 -8.969 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -0.197 5.747 -9.033 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.082 5.153 -10.678 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.842 5.490 -9.687 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -0.110 6.933 -11.412 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -1.101 8.152 -12.221 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -4.129 7.084 -10.700 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -3.390 8.237 -11.815 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.388 0.478 -12.159 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.382 -0.523 -12.526 1.00 10.00 C ATOM 1460 C GLU A 92 -2.723 -1.908 -12.511 1.00 10.00 C ATOM 1461 O GLU A 92 -3.193 -2.821 -11.836 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.028 -0.157 -13.880 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.557 -0.330 -13.901 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.978 -1.786 -13.977 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.786 -2.514 -12.980 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.367 -2.242 -15.076 1.00 10.00 O ATOM 0 H GLU A 92 -2.245 1.195 -12.870 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.197 -0.547 -11.803 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.785 0.878 -14.121 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.590 -0.778 -14.662 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.982 0.121 -13.005 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.968 0.208 -14.755 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.591 -2.059 -13.204 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.800 -3.290 -13.165 1.00 10.00 C ATOM 1475 C ASP A 93 -0.530 -3.718 -11.722 1.00 10.00 C ATOM 1476 O ASP A 93 -0.849 -4.837 -11.328 1.00 10.00 O ATOM 1477 CB ASP A 93 0.490 -3.116 -13.976 1.00 10.00 C ATOM 1478 CG ASP A 93 0.244 -3.043 -15.477 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -0.796 -3.591 -15.912 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.116 -2.461 -16.158 1.00 10.00 O ATOM 0 H ASP A 93 -1.199 -1.334 -13.805 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.370 -4.095 -13.628 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.997 -2.207 -13.652 1.00 10.00 H new ATOM 0 HB3 ASP A 93 1.161 -3.948 -13.763 1.00 10.00 H new ATOM 1485 N LEU A 94 0.021 -2.821 -10.907 1.00 10.00 N ATOM 1486 CA LEU A 94 0.259 -3.063 -9.488 1.00 10.00 C ATOM 1487 C LEU A 94 -0.982 -3.660 -8.820 1.00 10.00 C ATOM 1488 O LEU A 94 -0.922 -4.740 -8.228 1.00 10.00 O ATOM 1489 CB LEU A 94 0.687 -1.755 -8.805 1.00 10.00 C ATOM 1490 CG LEU A 94 2.027 -1.905 -8.084 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.542 -0.519 -7.715 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.903 -2.740 -6.817 1.00 10.00 C ATOM 0 H LEU A 94 0.318 -1.896 -11.218 1.00 10.00 H new ATOM 0 HA LEU A 94 1.065 -3.790 -9.382 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.761 -0.963 -9.550 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.078 -1.450 -8.091 1.00 10.00 H new ATOM 0 HG LEU A 94 2.717 -2.416 -8.755 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.498 -0.611 -7.200 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.674 0.073 -8.621 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.823 -0.026 -7.060 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.878 -2.820 -6.337 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.201 -2.262 -6.134 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.541 -3.736 -7.072 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.114 -2.966 -8.943 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.383 -3.421 -8.406 1.00 10.00 C ATOM 1506 C ILE A 95 -3.745 -4.795 -8.955 1.00 10.00 C ATOM 1507 O ILE A 95 -4.278 -5.617 -8.220 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.492 -2.378 -8.628 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.473 -1.356 -7.486 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.885 -3.030 -8.660 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.381 -0.294 -7.567 1.00 10.00 C ATOM 0 H ILE A 95 -2.169 -2.067 -9.422 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.279 -3.531 -7.327 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.302 -1.897 -9.588 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.440 -0.855 -7.456 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.363 -1.893 -6.544 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.642 -2.262 -8.819 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.928 -3.756 -9.472 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.073 -3.534 -7.712 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.460 0.375 -6.710 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.403 -0.776 -7.561 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.498 0.279 -8.487 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.491 -5.050 -10.233 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.748 -6.345 -10.845 1.00 10.00 C ATOM 1525 C ALA A 96 -3.064 -7.457 -10.045 1.00 10.00 C ATOM 1526 O ALA A 96 -3.704 -8.447 -9.697 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.304 -6.351 -12.309 1.00 10.00 C ATOM 0 H ALA A 96 -3.100 -4.361 -10.875 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.822 -6.533 -10.829 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.506 -7.329 -12.746 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.854 -5.587 -12.859 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.236 -6.141 -12.366 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.776 -7.290 -9.721 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.094 -8.258 -8.870 1.00 10.00 C ATOM 1535 C TYR A 97 -1.743 -8.292 -7.497 1.00 10.00 C ATOM 1536 O TYR A 97 -2.218 -9.340 -7.062 1.00 10.00 O ATOM 1537 CB TYR A 97 0.397 -7.950 -8.733 1.00 10.00 C ATOM 1538 CG TYR A 97 1.154 -8.849 -7.766 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.074 -10.250 -7.889 1.00 10.00 C ATOM 1540 CD2 TYR A 97 2.006 -8.288 -6.794 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.880 -11.077 -7.089 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.870 -9.115 -6.054 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.798 -10.511 -6.193 1.00 10.00 C ATOM 1544 OH TYR A 97 3.685 -11.321 -5.549 1.00 10.00 O ATOM 0 H TYR A 97 -1.199 -6.508 -10.031 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.187 -9.235 -9.345 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.860 -8.028 -9.716 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.511 -6.916 -8.408 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.391 -10.690 -8.601 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.996 -7.223 -6.617 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.792 -12.151 -7.164 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.589 -8.676 -5.378 1.00 10.00 H new ATOM 0 HH TYR A 97 4.255 -10.781 -4.963 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.740 -7.140 -6.821 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.279 -7.014 -5.468 1.00 10.00 C ATOM 1556 C LEU A 98 -3.641 -7.706 -5.343 1.00 10.00 C ATOM 1557 O LEU A 98 -3.855 -8.412 -4.369 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.382 -5.552 -5.015 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.159 -5.071 -4.208 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.283 -4.170 -5.060 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.551 -4.342 -2.919 1.00 10.00 C ATOM 0 H LEU A 98 -1.364 -6.270 -7.198 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.572 -7.515 -4.807 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.502 -4.916 -5.892 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.279 -5.430 -4.408 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.603 -5.964 -3.922 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.576 -3.839 -4.476 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.064 -4.721 -5.934 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.858 -3.302 -5.382 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.651 -4.026 -2.392 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.154 -3.468 -3.164 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.128 -5.013 -2.282 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.554 -7.542 -6.302 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.864 -8.184 -6.281 1.00 10.00 C ATOM 1575 C LYS A 99 -5.757 -9.673 -5.949 1.00 10.00 C ATOM 1576 O LYS A 99 -6.477 -10.159 -5.080 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.599 -8.001 -7.619 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.474 -6.741 -7.652 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.391 -6.796 -8.886 1.00 10.00 C ATOM 1580 CE LYS A 99 -9.508 -5.740 -8.862 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.054 -4.393 -9.259 1.00 10.00 N ATOM 0 H LYS A 99 -4.401 -6.954 -7.121 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.441 -7.696 -5.495 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.868 -7.951 -8.426 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.222 -8.875 -7.808 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.071 -6.674 -6.743 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.848 -5.849 -7.688 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -7.789 -6.657 -9.784 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.839 -7.787 -8.953 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -10.310 -6.056 -9.529 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -9.930 -5.691 -7.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.873 -3.754 -9.319 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -8.383 -4.030 -8.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -8.586 -4.444 -10.186 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.872 -10.406 -6.630 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.626 -11.783 -6.284 1.00 10.00 C ATOM 1597 C LYS A 100 -3.815 -11.810 -4.985 1.00 10.00 C ATOM 1598 O LYS A 100 -4.219 -12.466 -4.039 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.948 -12.477 -7.471 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.535 -13.915 -7.142 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.346 -15.020 -7.839 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.825 -15.032 -7.415 1.00 10.00 C ATOM 1603 NZ LYS A 100 -6.380 -16.402 -7.357 1.00 10.00 N ATOM 0 H LYS A 100 -4.324 -10.060 -7.417 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.544 -12.339 -6.093 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.628 -12.482 -8.323 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.068 -11.907 -7.768 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.485 -14.041 -7.405 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.613 -14.058 -6.064 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.283 -14.884 -8.919 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -3.900 -15.989 -7.613 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -5.925 -14.560 -6.437 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.407 -14.436 -8.118 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -7.378 -16.360 -7.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -6.310 -16.845 -8.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.843 -16.965 -6.668 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.691 -11.099 -4.925 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.644 -11.342 -3.938 1.00 10.00 C ATOM 1619 C ALA A 101 -2.146 -11.101 -2.515 1.00 10.00 C ATOM 1620 O ALA A 101 -1.832 -11.825 -1.575 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.451 -10.436 -4.251 1.00 10.00 C ATOM 0 H ALA A 101 -2.481 -10.333 -5.565 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.340 -12.387 -3.995 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.339 -10.609 -3.520 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.076 -10.660 -5.250 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.765 -9.393 -4.207 1.00 10.00 H new ATOM 1627 N THR A 102 -2.913 -10.027 -2.354 1.00 10.00 N ATOM 1628 CA THR A 102 -3.438 -9.634 -1.065 1.00 10.00 C ATOM 1629 C THR A 102 -4.601 -10.516 -0.638 1.00 10.00 C ATOM 1630 O THR A 102 -4.820 -10.693 0.559 1.00 10.00 O ATOM 1631 CB THR A 102 -3.784 -8.148 -1.035 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.837 -7.848 -1.927 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.533 -7.341 -1.392 1.00 10.00 C ATOM 0 H THR A 102 -3.184 -9.409 -3.119 1.00 10.00 H new ATOM 0 HA THR A 102 -2.652 -9.787 -0.326 1.00 10.00 H new ATOM 0 HB THR A 102 -4.122 -7.883 -0.033 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.549 -8.030 -2.846 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.769 -6.277 -1.374 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.746 -7.551 -0.668 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.192 -7.620 -2.389 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.336 -11.045 -1.618 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.370 -12.041 -1.413 1.00 10.00 C ATOM 1643 C ASN A 103 -5.722 -13.341 -0.918 1.00 10.00 C ATOM 1644 O ASN A 103 -6.074 -13.815 0.159 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.162 -12.177 -2.722 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.204 -13.283 -2.734 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.644 -13.770 -1.701 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -8.637 -13.665 -3.935 1.00 10.00 N ATOM 0 H ASN A 103 -5.220 -10.781 -2.597 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.083 -11.754 -0.640 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.659 -11.229 -2.928 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.460 -12.352 -3.537 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -9.356 -14.384 -4.013 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -8.249 -13.239 -4.776 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.748 -13.866 -1.669 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.954 -15.043 -1.346 1.00 10.00 C ATOM 1657 C GLU A 104 -2.626 -14.968 -2.112 1.00 10.00 C ATOM 1658 O GLU A 104 -1.579 -15.238 -1.484 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.704 -16.322 -1.754 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.542 -16.930 -0.620 1.00 10.00 C ATOM 1661 CD GLU A 104 -6.094 -18.298 -1.006 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -5.283 -19.132 -1.464 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -7.318 -18.489 -0.844 1.00 10.00 O ATOM 1664 OXT GLU A 104 -2.687 -14.686 -3.331 1.00 10.00 O ATOM 0 H GLU A 104 -4.483 -13.455 -2.564 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.771 -15.071 -0.272 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -5.357 -16.097 -2.597 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.982 -17.062 -2.099 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -4.930 -17.023 0.277 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.366 -16.260 -0.375 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.582 5.165 0.563 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.866 3.862 0.391 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.193 3.100 1.265 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.433 3.998 2.027 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.677 5.271 1.596 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.969 5.939 0.023 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.242 6.189 1.991 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.755 3.724 2.835 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.554 3.476 -0.361 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.305 1.140 1.472 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.844 1.552 3.733 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.081 0.179 -0.905 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.820 1.202 -0.888 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.676 1.297 3.942 1.00 10.00 C HETATM 1686 NA HEC A 110 1.348 0.944 1.411 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.520 1.181 2.459 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.836 0.938 2.038 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.782 0.543 0.722 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.617 0.525 0.348 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.969 0.319 -0.192 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.058 0.994 2.931 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.115 -0.036 4.082 1.00 10.00 C HETATM 1694 CGA HEC A 110 -0.933 -1.014 4.132 1.00 10.00 C HETATM 1695 O1A HEC A 110 -0.132 -0.907 5.085 1.00 10.00 O HETATM 1696 O2A HEC A 110 -0.801 -1.803 3.174 1.00 10.00 O HETATM 1697 NB HEC A 110 3.432 0.783 -0.505 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.404 0.326 -1.260 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.926 -0.039 -2.556 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.248 0.351 -2.594 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.557 0.839 -1.269 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.178 -0.833 -3.603 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.233 0.154 -3.745 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.705 0.658 -5.099 1.00 10.00 C HETATM 1705 NC HEC A 110 5.358 1.302 1.507 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.174 1.323 0.425 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.546 1.396 0.869 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.513 1.305 2.242 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.113 1.306 2.633 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.784 1.426 -0.010 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.693 1.104 3.180 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.054 1.688 2.777 1.00 10.00 C HETATM 1713 ND HEC A 110 3.267 1.387 3.462 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.345 1.409 4.284 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.864 1.602 5.637 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.502 1.755 5.562 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.130 1.546 4.188 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.671 1.703 6.913 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.589 2.108 6.714 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.527 3.617 7.004 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.691 4.462 6.019 1.00 10.00 C HETATM 1722 O1D HEC A 110 -0.388 4.009 5.558 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.106 5.610 5.746 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.242 0.785 7.056 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.355 2.549 6.845 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 3.998 1.848 7.758 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.823 0.520 -0.614 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.745 2.297 -0.664 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.674 1.483 0.617 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.914 -1.810 -3.199 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.270 -0.300 -3.884 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.810 -0.962 -4.482 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.608 -0.460 0.225 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.538 1.244 -0.283 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.617 0.011 -1.176 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.123 3.758 8.006 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.545 4.007 7.013 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.372 1.250 1.831 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.968 2.769 2.665 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.790 1.461 3.548 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.792 0.121 -5.356 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.492 1.725 -5.032 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.457 0.486 -5.869 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.164 0.501 5.029 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -3.038 -0.609 3.993 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.584 1.746 6.496 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.928 1.587 7.609 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -2.120 1.993 3.363 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.943 0.860 2.308 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.414 1.197 4.738 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.567 1.401 -1.657 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.379 -0.223 -1.636 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.048 1.863 4.409 1.00 10.00 H new HETATM 0 H2D HEC A 110 0.432 6.272 6.006 1.00 10.00 H new HETATM 0 H2A HEC A 110 -0.849 -2.726 3.501 1.00 10.00 H new