USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=23 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 67 TYR OH : rot 152:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -155:sc= -0.378 (180deg=-1.46) USER MOD Set 2.1: A 63 THR OG1 : rot -60:sc= -0.0536 USER MOD Set 2.2: A 74 TYR OH : rot 130:sc= -0.684 USER MOD Set 3.1: A 52 ASN : amide:sc= 1.55 K(o=2,f=-1.3!) USER MOD Set 3.2: A 110 HEC O2D : rot -130:sc= 0.456 USER MOD Set 4.1: A 16 GLN : amide:sc= 1.02 K(o=2.2,f=-6.7!) USER MOD Set 4.2: A 27 LYS NZ :NH3+ 150:sc= 1.19 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 127:sc= 0.156 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.976) USER MOD Single : A 19 THR OG1 : rot 110:sc= -0.127 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 X(o=0,f=-0.18) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 121:sc= 0.943 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 49:sc= 0.514 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.348 (180deg=-0.565) USER MOD Single : A 58 THR OG1 : rot 41:sc= 0.697 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= -0.041 (180deg=-0.041) USER MOD Single : A 70 ASN : amide:sc= 0.591 K(o=0.59,f=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ -118:sc=-0.00521 (180deg=-0.657) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 79:sc= -0.0114 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 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= 0.0911 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.988) USER MOD Single : A 102 THR OG1 : rot -90:sc= 1.24 USER MOD Single : A 103 ASN : amide:sc= -0.345 K(o=-0.34,f=-2.8!) USER MOD Single : A 110 HEC O2A : rot 168:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.671 -4.308 -15.394 1.00 10.00 N ATOM 2 CA GLY A 1 -4.268 -4.162 -15.062 1.00 10.00 C ATOM 3 C GLY A 1 -3.663 -5.545 -15.273 1.00 10.00 C ATOM 4 O GLY A 1 -4.353 -6.536 -15.038 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.252 -3.955 -14.607 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.883 -3.762 -16.254 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.886 -5.312 -15.560 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.787 -3.420 -15.700 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.139 -3.829 -14.032 1.00 10.00 H new ATOM 10 N ASP A 2 -2.463 -5.613 -15.820 1.00 10.00 N ATOM 11 CA ASP A 2 -1.706 -6.850 -15.982 1.00 10.00 C ATOM 12 C ASP A 2 -1.248 -7.392 -14.627 1.00 10.00 C ATOM 13 O ASP A 2 -0.511 -6.721 -13.909 1.00 10.00 O ATOM 14 CB ASP A 2 -0.457 -6.635 -16.841 1.00 10.00 C ATOM 15 CG ASP A 2 0.270 -7.953 -17.082 1.00 10.00 C ATOM 16 OD1 ASP A 2 -0.297 -9.019 -16.753 1.00 10.00 O ATOM 17 OD2 ASP A 2 1.446 -7.874 -17.494 1.00 10.00 O ATOM 0 H ASP A 2 -1.972 -4.792 -16.174 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.374 -7.560 -16.470 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.739 -6.191 -17.796 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.212 -5.931 -16.347 1.00 10.00 H new ATOM 22 N VAL A 3 -1.620 -8.628 -14.298 1.00 10.00 N ATOM 23 CA VAL A 3 -1.091 -9.321 -13.134 1.00 10.00 C ATOM 24 C VAL A 3 0.414 -9.558 -13.272 1.00 10.00 C ATOM 25 O VAL A 3 1.141 -9.412 -12.288 1.00 10.00 O ATOM 26 CB VAL A 3 -1.872 -10.630 -12.910 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.244 -11.503 -11.813 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.323 -10.317 -12.523 1.00 10.00 C ATOM 0 H VAL A 3 -2.296 -9.173 -14.833 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.225 -8.696 -12.251 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.838 -11.184 -13.848 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.830 -12.414 -11.693 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.224 -11.763 -12.095 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.232 -10.952 -10.872 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.867 -11.249 -12.367 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.336 -9.731 -11.604 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.798 -9.749 -13.323 1.00 10.00 H new ATOM 38 N GLU A 4 0.898 -9.928 -14.461 1.00 10.00 N ATOM 39 CA GLU A 4 2.314 -10.226 -14.626 1.00 10.00 C ATOM 40 C GLU A 4 3.124 -8.959 -14.389 1.00 10.00 C ATOM 41 O GLU A 4 3.938 -8.897 -13.466 1.00 10.00 O ATOM 42 CB GLU A 4 2.602 -10.830 -16.007 1.00 10.00 C ATOM 43 CG GLU A 4 2.643 -12.365 -15.935 1.00 10.00 C ATOM 44 CD GLU A 4 3.925 -12.862 -15.262 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.978 -12.799 -15.934 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.852 -13.263 -14.076 1.00 10.00 O ATOM 0 H GLU A 4 0.337 -10.026 -15.307 1.00 10.00 H new ATOM 0 HA GLU A 4 2.608 -10.975 -13.891 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.834 -10.515 -16.714 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.554 -10.454 -16.382 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.777 -12.727 -15.382 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.575 -12.779 -16.941 1.00 10.00 H new ATOM 53 N LYS A 5 2.894 -7.925 -15.196 1.00 10.00 N ATOM 54 CA LYS A 5 3.578 -6.671 -14.991 1.00 10.00 C ATOM 55 C LYS A 5 3.306 -6.151 -13.589 1.00 10.00 C ATOM 56 O LYS A 5 4.243 -5.713 -12.944 1.00 10.00 O ATOM 57 CB LYS A 5 3.315 -5.647 -16.099 1.00 10.00 C ATOM 58 CG LYS A 5 4.209 -5.911 -17.324 1.00 10.00 C ATOM 59 CD LYS A 5 4.760 -4.599 -17.908 1.00 10.00 C ATOM 60 CE LYS A 5 3.784 -3.969 -18.908 1.00 10.00 C ATOM 61 NZ LYS A 5 3.968 -4.530 -20.262 1.00 10.00 N ATOM 0 H LYS A 5 2.247 -7.939 -15.984 1.00 10.00 H new ATOM 0 HA LYS A 5 4.650 -6.855 -15.065 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.267 -5.688 -16.395 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.500 -4.642 -15.720 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.037 -6.561 -17.039 1.00 10.00 H new ATOM 0 HG3 LYS A 5 3.637 -6.439 -18.087 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.957 -3.895 -17.099 1.00 10.00 H new ATOM 0 HD3 LYS A 5 5.712 -4.792 -18.402 1.00 10.00 H new ATOM 0 HE2 LYS A 5 2.760 -4.140 -18.577 1.00 10.00 H new ATOM 0 HE3 LYS A 5 3.934 -2.890 -18.935 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 3.294 -4.085 -20.917 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 4.939 -4.345 -20.586 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 3.801 -5.556 -20.238 1.00 10.00 H new ATOM 75 N GLY A 6 2.087 -6.269 -13.067 1.00 10.00 N ATOM 76 CA GLY A 6 1.812 -5.899 -11.691 1.00 10.00 C ATOM 77 C GLY A 6 2.767 -6.557 -10.688 1.00 10.00 C ATOM 78 O GLY A 6 3.284 -5.892 -9.785 1.00 10.00 O ATOM 0 H GLY A 6 1.278 -6.618 -13.580 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.881 -4.816 -11.592 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.787 -6.177 -11.444 1.00 10.00 H new ATOM 82 N LYS A 7 3.004 -7.865 -10.846 1.00 10.00 N ATOM 83 CA LYS A 7 3.887 -8.642 -10.002 1.00 10.00 C ATOM 84 C LYS A 7 5.254 -7.990 -10.080 1.00 10.00 C ATOM 85 O LYS A 7 5.834 -7.605 -9.065 1.00 10.00 O ATOM 86 CB LYS A 7 3.893 -10.103 -10.492 1.00 10.00 C ATOM 87 CG LYS A 7 4.710 -11.064 -9.622 1.00 10.00 C ATOM 88 CD LYS A 7 4.872 -12.412 -10.352 1.00 10.00 C ATOM 89 CE LYS A 7 4.313 -13.587 -9.538 1.00 10.00 C ATOM 90 NZ LYS A 7 4.417 -14.860 -10.284 1.00 10.00 N ATOM 0 H LYS A 7 2.570 -8.416 -11.587 1.00 10.00 H new ATOM 0 HA LYS A 7 3.564 -8.662 -8.961 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.865 -10.461 -10.539 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.286 -10.130 -11.508 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.689 -10.635 -9.409 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.213 -11.215 -8.664 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.362 -12.365 -11.314 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.928 -12.586 -10.559 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.856 -13.670 -8.597 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.270 -13.394 -9.288 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.031 -15.634 -9.706 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.878 -14.788 -11.171 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.415 -15.055 -10.500 1.00 10.00 H new ATOM 104 N LYS A 8 5.772 -7.851 -11.299 1.00 10.00 N ATOM 105 CA LYS A 8 7.127 -7.365 -11.445 1.00 10.00 C ATOM 106 C LYS A 8 7.239 -5.924 -10.942 1.00 10.00 C ATOM 107 O LYS A 8 8.193 -5.592 -10.252 1.00 10.00 O ATOM 108 CB LYS A 8 7.674 -7.580 -12.862 1.00 10.00 C ATOM 109 CG LYS A 8 7.327 -8.950 -13.476 1.00 10.00 C ATOM 110 CD LYS A 8 7.527 -10.174 -12.561 1.00 10.00 C ATOM 111 CE LYS A 8 8.996 -10.616 -12.478 1.00 10.00 C ATOM 112 NZ LYS A 8 9.271 -11.773 -13.357 1.00 10.00 N ATOM 0 H LYS A 8 5.286 -8.063 -12.170 1.00 10.00 H new ATOM 0 HA LYS A 8 7.779 -7.964 -10.809 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.286 -6.795 -13.511 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.758 -7.469 -12.841 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.286 -8.928 -13.797 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.933 -9.088 -14.371 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.165 -9.938 -11.560 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.923 -11.002 -12.931 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.642 -9.784 -12.759 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.240 -10.876 -11.448 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.272 -12.042 -13.274 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 8.672 -12.575 -13.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 9.062 -11.517 -14.343 1.00 10.00 H new ATOM 126 N ILE A 9 6.250 -5.077 -11.222 1.00 10.00 N ATOM 127 CA ILE A 9 6.187 -3.705 -10.756 1.00 10.00 C ATOM 128 C ILE A 9 6.333 -3.689 -9.243 1.00 10.00 C ATOM 129 O ILE A 9 7.261 -3.068 -8.730 1.00 10.00 O ATOM 130 CB ILE A 9 4.879 -3.050 -11.244 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.974 -2.738 -12.750 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.554 -1.756 -10.492 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.616 -2.366 -13.356 1.00 10.00 C ATOM 0 H ILE A 9 5.450 -5.341 -11.797 1.00 10.00 H new ATOM 0 HA ILE A 9 7.005 -3.115 -11.169 1.00 10.00 H new ATOM 0 HB ILE A 9 4.079 -3.764 -11.049 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.675 -1.918 -12.905 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.377 -3.605 -13.273 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.624 -1.336 -10.875 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.445 -1.971 -9.429 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.362 -1.039 -10.636 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.737 -2.155 -14.419 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.921 -3.196 -13.227 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.223 -1.482 -12.853 1.00 10.00 H new ATOM 145 N PHE A 10 5.451 -4.391 -8.531 1.00 10.00 N ATOM 146 CA PHE A 10 5.548 -4.508 -7.085 1.00 10.00 C ATOM 147 C PHE A 10 6.978 -4.884 -6.670 1.00 10.00 C ATOM 148 O PHE A 10 7.579 -4.244 -5.808 1.00 10.00 O ATOM 149 CB PHE A 10 4.517 -5.531 -6.603 1.00 10.00 C ATOM 150 CG PHE A 10 4.593 -5.811 -5.121 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.953 -4.954 -4.209 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.360 -6.892 -4.652 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.059 -5.193 -2.831 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.454 -7.140 -3.275 1.00 10.00 C ATOM 155 CZ PHE A 10 4.786 -6.302 -2.371 1.00 10.00 C ATOM 0 H PHE A 10 4.659 -4.888 -8.939 1.00 10.00 H new ATOM 0 HA PHE A 10 5.329 -3.550 -6.614 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.518 -5.170 -6.846 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.660 -6.464 -7.149 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.380 -4.112 -4.569 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.877 -7.531 -5.352 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.583 -4.527 -2.127 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.038 -7.973 -2.912 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.831 -6.511 -1.312 1.00 10.00 H new ATOM 165 N VAL A 11 7.554 -5.888 -7.332 1.00 10.00 N ATOM 166 CA VAL A 11 8.894 -6.386 -7.032 1.00 10.00 C ATOM 167 C VAL A 11 10.000 -5.399 -7.434 1.00 10.00 C ATOM 168 O VAL A 11 11.132 -5.505 -6.968 1.00 10.00 O ATOM 169 CB VAL A 11 9.076 -7.766 -7.686 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.474 -8.360 -7.470 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.050 -8.737 -7.100 1.00 10.00 C ATOM 0 H VAL A 11 7.098 -6.382 -8.099 1.00 10.00 H new ATOM 0 HA VAL A 11 8.990 -6.490 -5.951 1.00 10.00 H new ATOM 0 HB VAL A 11 8.938 -7.625 -8.758 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.535 -9.333 -7.957 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.223 -7.693 -7.897 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.659 -8.476 -6.402 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.173 -9.718 -7.559 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.200 -8.819 -6.024 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.044 -8.367 -7.299 1.00 10.00 H new ATOM 181 N GLN A 12 9.701 -4.451 -8.319 1.00 10.00 N ATOM 182 CA GLN A 12 10.651 -3.475 -8.831 1.00 10.00 C ATOM 183 C GLN A 12 10.419 -2.091 -8.234 1.00 10.00 C ATOM 184 O GLN A 12 11.092 -1.141 -8.642 1.00 10.00 O ATOM 185 CB GLN A 12 10.510 -3.406 -10.348 1.00 10.00 C ATOM 186 CG GLN A 12 10.908 -4.741 -10.997 1.00 10.00 C ATOM 187 CD GLN A 12 12.415 -4.869 -11.171 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.963 -4.438 -12.179 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.095 -5.463 -10.195 1.00 10.00 N ATOM 0 H GLN A 12 8.765 -4.340 -8.708 1.00 10.00 H new ATOM 0 HA GLN A 12 11.656 -3.791 -8.550 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.481 -3.162 -10.611 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.137 -2.605 -10.740 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.544 -5.565 -10.383 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.423 -4.829 -11.969 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.605 -5.810 -9.370 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.106 -5.572 -10.271 1.00 10.00 H new ATOM 198 N LYS A 13 9.422 -1.941 -7.361 1.00 10.00 N ATOM 199 CA LYS A 13 9.138 -0.689 -6.682 1.00 10.00 C ATOM 200 C LYS A 13 9.179 -0.870 -5.165 1.00 10.00 C ATOM 201 O LYS A 13 9.755 -0.036 -4.470 1.00 10.00 O ATOM 202 CB LYS A 13 7.794 -0.106 -7.139 1.00 10.00 C ATOM 203 CG LYS A 13 7.954 0.793 -8.371 1.00 10.00 C ATOM 204 CD LYS A 13 7.993 0.048 -9.712 1.00 10.00 C ATOM 205 CE LYS A 13 8.911 0.739 -10.731 1.00 10.00 C ATOM 206 NZ LYS A 13 10.198 0.029 -10.873 1.00 10.00 N ATOM 0 H LYS A 13 8.786 -2.697 -7.107 1.00 10.00 H new ATOM 0 HA LYS A 13 9.915 0.026 -6.952 1.00 10.00 H new ATOM 0 HB2 LYS A 13 7.104 -0.918 -7.369 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.351 0.468 -6.325 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.130 1.506 -8.392 1.00 10.00 H new ATOM 0 HG3 LYS A 13 8.873 1.370 -8.265 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.337 -0.973 -9.549 1.00 10.00 H new ATOM 0 HD3 LYS A 13 6.984 -0.017 -10.119 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.412 0.785 -11.699 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.095 1.767 -10.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.910 0.676 -11.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.514 -0.306 -9.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 10.078 -0.784 -11.511 1.00 10.00 H new ATOM 220 N CYS A 14 8.551 -1.932 -4.655 1.00 10.00 N ATOM 221 CA CYS A 14 8.497 -2.244 -3.237 1.00 10.00 C ATOM 222 C CYS A 14 9.408 -3.446 -2.961 1.00 10.00 C ATOM 223 O CYS A 14 10.573 -3.259 -2.617 1.00 10.00 O ATOM 224 CB CYS A 14 7.060 -2.404 -2.747 1.00 10.00 C ATOM 225 SG CYS A 14 5.764 -2.154 -4.022 1.00 10.00 S ATOM 0 H CYS A 14 8.057 -2.610 -5.235 1.00 10.00 H new ATOM 0 HA CYS A 14 8.881 -1.410 -2.649 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.946 -3.404 -2.328 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.889 -1.697 -1.936 1.00 10.00 H new ATOM 230 N ALA A 15 8.895 -4.671 -3.118 1.00 10.00 N ATOM 231 CA ALA A 15 9.537 -5.928 -2.738 1.00 10.00 C ATOM 232 C ALA A 15 10.132 -5.927 -1.327 1.00 10.00 C ATOM 233 O ALA A 15 9.546 -6.482 -0.405 1.00 10.00 O ATOM 234 CB ALA A 15 10.560 -6.370 -3.793 1.00 10.00 C ATOM 0 H ALA A 15 7.975 -4.817 -3.534 1.00 10.00 H new ATOM 0 HA ALA A 15 8.739 -6.670 -2.704 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.021 -7.308 -3.483 1.00 10.00 H new ATOM 0 HB2 ALA A 15 10.058 -6.512 -4.750 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.329 -5.605 -3.897 1.00 10.00 H new ATOM 240 N GLN A 16 11.296 -5.316 -1.115 1.00 10.00 N ATOM 241 CA GLN A 16 12.007 -5.328 0.151 1.00 10.00 C ATOM 242 C GLN A 16 11.390 -4.351 1.171 1.00 10.00 C ATOM 243 O GLN A 16 12.104 -3.697 1.928 1.00 10.00 O ATOM 244 CB GLN A 16 13.496 -5.060 -0.146 1.00 10.00 C ATOM 245 CG GLN A 16 14.400 -6.186 0.366 1.00 10.00 C ATOM 246 CD GLN A 16 15.486 -5.646 1.286 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.306 -5.594 2.503 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.612 -5.224 0.719 1.00 10.00 N ATOM 0 H GLN A 16 11.779 -4.787 -1.841 1.00 10.00 H new ATOM 0 HA GLN A 16 11.917 -6.302 0.632 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.635 -4.945 -1.221 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.793 -4.119 0.317 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.800 -6.923 0.901 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.858 -6.700 -0.479 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.726 -5.282 -0.293 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.361 -4.842 1.296 1.00 10.00 H new ATOM 257 N CYS A 17 10.056 -4.303 1.219 1.00 10.00 N ATOM 258 CA CYS A 17 9.255 -3.466 2.105 1.00 10.00 C ATOM 259 C CYS A 17 7.884 -4.092 2.368 1.00 10.00 C ATOM 260 O CYS A 17 7.398 -3.981 3.491 1.00 10.00 O ATOM 261 CB CYS A 17 9.087 -2.062 1.566 1.00 10.00 C ATOM 262 SG CYS A 17 10.130 -0.873 2.481 1.00 10.00 S ATOM 0 H CYS A 17 9.479 -4.879 0.607 1.00 10.00 H new ATOM 0 HA CYS A 17 9.800 -3.400 3.047 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.350 -2.042 0.508 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.041 -1.764 1.640 1.00 10.00 H new ATOM 267 N HIS A 18 7.243 -4.712 1.364 1.00 10.00 N ATOM 268 CA HIS A 18 5.978 -5.401 1.543 1.00 10.00 C ATOM 269 C HIS A 18 6.096 -6.774 0.914 1.00 10.00 C ATOM 270 O HIS A 18 6.882 -6.968 -0.006 1.00 10.00 O ATOM 271 CB HIS A 18 4.871 -4.653 0.813 1.00 10.00 C ATOM 272 CG HIS A 18 4.410 -3.400 1.491 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.608 -3.307 2.607 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.530 -2.155 0.955 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.250 -2.013 2.724 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.794 -1.270 1.737 1.00 10.00 N ATOM 0 H HIS A 18 7.597 -4.743 0.408 1.00 10.00 H new ATOM 0 HA HIS A 18 5.746 -5.463 2.606 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.221 -4.401 -0.188 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.018 -5.320 0.694 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.337 -4.071 3.226 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.099 -1.898 0.074 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.613 -1.622 3.504 1.00 10.00 H new ATOM 284 N THR A 19 5.254 -7.700 1.364 1.00 10.00 N ATOM 285 CA THR A 19 5.235 -9.061 0.853 1.00 10.00 C ATOM 286 C THR A 19 3.998 -9.313 -0.003 1.00 10.00 C ATOM 287 O THR A 19 4.091 -9.934 -1.055 1.00 10.00 O ATOM 288 CB THR A 19 5.275 -10.026 2.034 1.00 10.00 C ATOM 289 OG1 THR A 19 6.291 -9.662 2.952 1.00 10.00 O ATOM 290 CG2 THR A 19 5.562 -11.433 1.525 1.00 10.00 C ATOM 0 H THR A 19 4.565 -7.524 2.095 1.00 10.00 H new ATOM 0 HA THR A 19 6.106 -9.217 0.216 1.00 10.00 H new ATOM 0 HB THR A 19 4.310 -9.989 2.539 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.882 -9.321 3.775 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.591 -12.125 2.366 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.777 -11.737 0.832 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.523 -11.445 1.012 1.00 10.00 H new ATOM 298 N VAL A 20 2.845 -8.871 0.501 1.00 10.00 N ATOM 299 CA VAL A 20 1.530 -9.063 -0.084 1.00 10.00 C ATOM 300 C VAL A 20 1.149 -10.539 -0.214 1.00 10.00 C ATOM 301 O VAL A 20 0.386 -10.904 -1.104 1.00 10.00 O ATOM 302 CB VAL A 20 1.349 -8.276 -1.390 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.537 -6.769 -1.219 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.080 -8.766 -2.646 1.00 10.00 C ATOM 0 H VAL A 20 2.808 -8.343 1.373 1.00 10.00 H new ATOM 0 HA VAL A 20 0.816 -8.639 0.622 1.00 10.00 H new ATOM 0 HB VAL A 20 0.303 -8.501 -1.599 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.395 -6.273 -2.179 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.807 -6.390 -0.504 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.543 -6.567 -0.851 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.850 -8.105 -3.482 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.155 -8.763 -2.466 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.755 -9.779 -2.884 1.00 10.00 H new ATOM 314 N GLU A 21 1.654 -11.376 0.694 1.00 10.00 N ATOM 315 CA GLU A 21 1.456 -12.811 0.695 1.00 10.00 C ATOM 316 C GLU A 21 1.756 -13.294 2.121 1.00 10.00 C ATOM 317 O GLU A 21 2.376 -12.563 2.904 1.00 10.00 O ATOM 318 CB GLU A 21 2.336 -13.421 -0.417 1.00 10.00 C ATOM 319 CG GLU A 21 2.707 -14.910 -0.322 1.00 10.00 C ATOM 320 CD GLU A 21 1.539 -15.891 -0.345 1.00 10.00 C ATOM 321 OE1 GLU A 21 0.461 -15.513 0.160 1.00 10.00 O ATOM 322 OE2 GLU A 21 1.780 -17.044 -0.763 1.00 10.00 O ATOM 0 H GLU A 21 2.230 -11.054 1.472 1.00 10.00 H new ATOM 0 HA GLU A 21 0.440 -13.127 0.461 1.00 10.00 H new ATOM 0 HB2 GLU A 21 1.825 -13.266 -1.367 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.263 -12.850 -0.457 1.00 10.00 H new ATOM 0 HG2 GLU A 21 3.375 -15.151 -1.149 1.00 10.00 H new ATOM 0 HG3 GLU A 21 3.269 -15.066 0.599 1.00 10.00 H new ATOM 329 N LYS A 22 1.267 -14.482 2.478 1.00 10.00 N ATOM 330 CA LYS A 22 1.522 -15.124 3.759 1.00 10.00 C ATOM 331 C LYS A 22 3.022 -15.333 3.987 1.00 10.00 C ATOM 332 O LYS A 22 3.815 -15.386 3.052 1.00 10.00 O ATOM 333 CB LYS A 22 0.776 -16.461 3.870 1.00 10.00 C ATOM 334 CG LYS A 22 0.993 -17.374 2.656 1.00 10.00 C ATOM 335 CD LYS A 22 1.104 -18.834 3.101 1.00 10.00 C ATOM 336 CE LYS A 22 1.077 -19.745 1.868 1.00 10.00 C ATOM 337 NZ LYS A 22 1.399 -21.144 2.213 1.00 10.00 N ATOM 0 H LYS A 22 0.668 -15.035 1.865 1.00 10.00 H new ATOM 0 HA LYS A 22 1.147 -14.457 4.535 1.00 10.00 H new ATOM 0 HB2 LYS A 22 1.104 -16.980 4.771 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.290 -16.267 3.985 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.165 -17.262 1.956 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.899 -17.078 2.128 1.00 10.00 H new ATOM 0 HD2 LYS A 22 2.028 -18.986 3.659 1.00 10.00 H new ATOM 0 HD3 LYS A 22 0.282 -19.085 3.771 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.091 -19.702 1.406 1.00 10.00 H new ATOM 0 HE3 LYS A 22 1.791 -19.379 1.130 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 1.371 -21.729 1.354 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 2.350 -21.188 2.631 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 0.703 -21.502 2.898 1.00 10.00 H new ATOM 351 N GLY A 23 3.422 -15.443 5.257 1.00 10.00 N ATOM 352 CA GLY A 23 4.829 -15.545 5.626 1.00 10.00 C ATOM 353 C GLY A 23 5.590 -14.248 5.355 1.00 10.00 C ATOM 354 O GLY A 23 6.817 -14.221 5.453 1.00 10.00 O ATOM 0 H GLY A 23 2.781 -15.463 6.050 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.909 -15.797 6.683 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.291 -16.359 5.068 1.00 10.00 H new ATOM 358 N GLY A 24 4.877 -13.165 5.037 1.00 10.00 N ATOM 359 CA GLY A 24 5.493 -11.884 4.797 1.00 10.00 C ATOM 360 C GLY A 24 6.113 -11.347 6.074 1.00 10.00 C ATOM 361 O GLY A 24 5.432 -11.153 7.078 1.00 10.00 O ATOM 0 H GLY A 24 3.861 -13.164 4.942 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.258 -11.980 4.026 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.750 -11.180 4.422 1.00 10.00 H new ATOM 365 N LYS A 25 7.427 -11.146 6.034 1.00 10.00 N ATOM 366 CA LYS A 25 8.187 -10.708 7.182 1.00 10.00 C ATOM 367 C LYS A 25 7.942 -9.226 7.448 1.00 10.00 C ATOM 368 O LYS A 25 7.717 -8.435 6.533 1.00 10.00 O ATOM 369 CB LYS A 25 9.670 -11.008 6.944 1.00 10.00 C ATOM 370 CG LYS A 25 9.916 -12.513 6.751 1.00 10.00 C ATOM 371 CD LYS A 25 11.421 -12.771 6.582 1.00 10.00 C ATOM 372 CE LYS A 25 11.744 -14.254 6.811 1.00 10.00 C ATOM 373 NZ LYS A 25 13.180 -14.550 6.618 1.00 10.00 N ATOM 0 H LYS A 25 7.990 -11.286 5.195 1.00 10.00 H new ATOM 0 HA LYS A 25 7.864 -11.250 8.071 1.00 10.00 H new ATOM 0 HB2 LYS A 25 10.015 -10.466 6.064 1.00 10.00 H new ATOM 0 HB3 LYS A 25 10.256 -10.648 7.790 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.536 -13.067 7.609 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.375 -12.871 5.875 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.736 -12.475 5.581 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.982 -12.158 7.287 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.449 -14.536 7.822 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.154 -14.862 6.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.351 -15.562 6.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.457 -14.306 5.646 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.743 -13.990 7.289 1.00 10.00 H new ATOM 387 N HIS A 26 7.997 -8.867 8.727 1.00 10.00 N ATOM 388 CA HIS A 26 7.668 -7.547 9.224 1.00 10.00 C ATOM 389 C HIS A 26 8.962 -6.729 9.259 1.00 10.00 C ATOM 390 O HIS A 26 9.673 -6.762 10.259 1.00 10.00 O ATOM 391 CB HIS A 26 7.022 -7.695 10.615 1.00 10.00 C ATOM 392 CG HIS A 26 5.946 -8.756 10.691 1.00 10.00 C ATOM 393 ND1 HIS A 26 6.149 -10.107 10.884 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.594 -8.554 10.628 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.943 -10.700 10.909 1.00 10.00 C ATOM 396 NE2 HIS A 26 3.965 -9.793 10.767 1.00 10.00 N ATOM 0 H HIS A 26 8.281 -9.512 9.465 1.00 10.00 H new ATOM 0 HA HIS A 26 6.953 -7.028 8.586 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.800 -7.930 11.341 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.593 -6.737 10.907 1.00 10.00 H new ATOM 0 HD2 HIS A 26 4.100 -7.603 10.494 1.00 10.00 H new ATOM 0 HE1 HIS A 26 4.783 -11.762 11.027 1.00 10.00 H new ATOM 0 HE2 HIS A 26 2.961 -9.973 10.762 1.00 10.00 H new ATOM 404 N LYS A 27 9.300 -6.044 8.159 1.00 10.00 N ATOM 405 CA LYS A 27 10.452 -5.144 8.125 1.00 10.00 C ATOM 406 C LYS A 27 9.978 -3.721 8.429 1.00 10.00 C ATOM 407 O LYS A 27 9.943 -3.325 9.590 1.00 10.00 O ATOM 408 CB LYS A 27 11.237 -5.275 6.804 1.00 10.00 C ATOM 409 CG LYS A 27 11.915 -6.650 6.725 1.00 10.00 C ATOM 410 CD LYS A 27 12.797 -6.848 5.476 1.00 10.00 C ATOM 411 CE LYS A 27 14.258 -6.382 5.646 1.00 10.00 C ATOM 412 NZ LYS A 27 14.540 -5.078 5.008 1.00 10.00 N ATOM 0 H LYS A 27 8.787 -6.099 7.279 1.00 10.00 H new ATOM 0 HA LYS A 27 11.168 -5.423 8.898 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.563 -5.144 5.957 1.00 10.00 H new ATOM 0 HB3 LYS A 27 11.987 -4.487 6.739 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.528 -6.792 7.615 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.147 -7.423 6.740 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.794 -7.905 5.208 1.00 10.00 H new ATOM 0 HD3 LYS A 27 12.351 -6.307 4.642 1.00 10.00 H new ATOM 0 HE2 LYS A 27 14.488 -6.314 6.709 1.00 10.00 H new ATOM 0 HE3 LYS A 27 14.923 -7.135 5.223 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 15.291 -4.589 5.535 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.849 -5.231 4.027 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 13.678 -4.496 5.012 1.00 10.00 H new ATOM 426 N THR A 28 9.605 -2.964 7.394 1.00 10.00 N ATOM 427 CA THR A 28 9.168 -1.577 7.524 1.00 10.00 C ATOM 428 C THR A 28 7.665 -1.465 7.283 1.00 10.00 C ATOM 429 O THR A 28 6.973 -0.798 8.047 1.00 10.00 O ATOM 430 CB THR A 28 9.968 -0.689 6.561 1.00 10.00 C ATOM 431 OG1 THR A 28 11.335 -0.756 6.915 1.00 10.00 O ATOM 432 CG2 THR A 28 9.502 0.771 6.624 1.00 10.00 C ATOM 0 H THR A 28 9.599 -3.304 6.432 1.00 10.00 H new ATOM 0 HA THR A 28 9.359 -1.231 8.540 1.00 10.00 H new ATOM 0 HB THR A 28 9.811 -1.050 5.544 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.858 -0.194 6.306 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.090 1.371 5.929 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.448 0.829 6.351 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.636 1.152 7.636 1.00 10.00 H new ATOM 440 N GLY A 29 7.161 -2.084 6.211 1.00 10.00 N ATOM 441 CA GLY A 29 5.737 -2.162 5.940 1.00 10.00 C ATOM 442 C GLY A 29 5.253 -3.552 6.334 1.00 10.00 C ATOM 443 O GLY A 29 6.028 -4.506 6.260 1.00 10.00 O ATOM 0 H GLY A 29 7.739 -2.545 5.508 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.200 -1.399 6.504 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.540 -1.976 4.884 1.00 10.00 H new ATOM 447 N PRO A 30 3.994 -3.696 6.767 1.00 10.00 N ATOM 448 CA PRO A 30 3.451 -5.004 7.037 1.00 10.00 C ATOM 449 C PRO A 30 3.240 -5.783 5.746 1.00 10.00 C ATOM 450 O PRO A 30 3.138 -5.228 4.647 1.00 10.00 O ATOM 451 CB PRO A 30 2.149 -4.775 7.812 1.00 10.00 C ATOM 452 CG PRO A 30 1.746 -3.332 7.500 1.00 10.00 C ATOM 453 CD PRO A 30 3.046 -2.641 7.080 1.00 10.00 C ATOM 0 HA PRO A 30 4.134 -5.613 7.629 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.376 -5.476 7.499 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.297 -4.920 8.882 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.003 -3.293 6.704 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.305 -2.848 8.371 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.881 -1.999 6.215 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.424 -2.006 7.881 1.00 10.00 H new ATOM 461 N ASN A 31 3.169 -7.103 5.909 1.00 10.00 N ATOM 462 CA ASN A 31 2.774 -8.009 4.858 1.00 10.00 C ATOM 463 C ASN A 31 1.345 -7.665 4.486 1.00 10.00 C ATOM 464 O ASN A 31 0.437 -7.866 5.287 1.00 10.00 O ATOM 465 CB ASN A 31 2.898 -9.456 5.342 1.00 10.00 C ATOM 466 CG ASN A 31 1.980 -9.821 6.507 1.00 10.00 C ATOM 467 OD1 ASN A 31 1.981 -9.145 7.532 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.201 -10.891 6.360 1.00 10.00 N ATOM 0 H ASN A 31 3.389 -7.569 6.789 1.00 10.00 H new ATOM 0 HA ASN A 31 3.417 -7.910 3.983 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.685 -10.123 4.507 1.00 10.00 H new ATOM 0 HB3 ASN A 31 3.931 -9.638 5.640 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.576 -11.175 7.115 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.229 -11.427 5.493 1.00 10.00 H new ATOM 475 N LEU A 32 1.131 -7.111 3.291 1.00 10.00 N ATOM 476 CA LEU A 32 -0.182 -6.594 2.944 1.00 10.00 C ATOM 477 C LEU A 32 -1.150 -7.721 2.530 1.00 10.00 C ATOM 478 O LEU A 32 -1.863 -7.642 1.531 1.00 10.00 O ATOM 479 CB LEU A 32 -0.048 -5.445 1.929 1.00 10.00 C ATOM 480 CG LEU A 32 -0.152 -4.049 2.564 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.059 -3.033 1.422 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.413 -3.863 3.415 1.00 10.00 C ATOM 0 H LEU A 32 1.839 -7.012 2.563 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.648 -6.158 3.828 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.911 -5.532 1.418 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.824 -5.549 1.170 1.00 10.00 H new ATOM 0 HG LEU A 32 0.663 -3.904 3.273 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.129 -2.023 1.827 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.894 -3.152 0.906 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.876 -3.199 0.720 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.424 -2.857 3.834 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.296 -4.007 2.793 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.416 -4.593 4.225 1.00 10.00 H new ATOM 494 N HIS A 33 -1.169 -8.805 3.303 1.00 10.00 N ATOM 495 CA HIS A 33 -1.840 -10.038 2.965 1.00 10.00 C ATOM 496 C HIS A 33 -3.313 -9.910 3.348 1.00 10.00 C ATOM 497 O HIS A 33 -3.682 -10.044 4.512 1.00 10.00 O ATOM 498 CB HIS A 33 -1.121 -11.187 3.671 1.00 10.00 C ATOM 499 CG HIS A 33 -1.584 -12.546 3.226 1.00 10.00 C ATOM 500 ND1 HIS A 33 -1.867 -12.951 1.937 1.00 10.00 N ATOM 501 CD2 HIS A 33 -1.722 -13.633 4.042 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.191 -14.254 1.989 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.127 -14.709 3.252 1.00 10.00 N ATOM 0 H HIS A 33 -0.700 -8.841 4.208 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.807 -10.248 1.896 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.049 -11.100 3.491 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.273 -11.094 4.746 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -1.549 -13.655 5.108 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.465 -14.853 1.133 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -2.334 -15.656 3.570 1.00 10.00 H new ATOM 511 N GLY A 34 -4.137 -9.591 2.353 1.00 10.00 N ATOM 512 CA GLY A 34 -5.558 -9.325 2.509 1.00 10.00 C ATOM 513 C GLY A 34 -5.821 -7.836 2.720 1.00 10.00 C ATOM 514 O GLY A 34 -6.794 -7.463 3.369 1.00 10.00 O ATOM 0 H GLY A 34 -3.821 -9.509 1.387 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.094 -9.670 1.625 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -5.945 -9.889 3.357 1.00 10.00 H new ATOM 518 N LEU A 35 -4.978 -6.985 2.121 1.00 10.00 N ATOM 519 CA LEU A 35 -5.216 -5.553 1.995 1.00 10.00 C ATOM 520 C LEU A 35 -6.662 -5.293 1.550 1.00 10.00 C ATOM 521 O LEU A 35 -7.396 -4.513 2.158 1.00 10.00 O ATOM 522 CB LEU A 35 -4.226 -5.025 0.940 1.00 10.00 C ATOM 523 CG LEU A 35 -4.353 -3.560 0.476 1.00 10.00 C ATOM 524 CD1 LEU A 35 -3.928 -2.517 1.507 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.559 -3.378 -0.809 1.00 10.00 C ATOM 0 H LEU A 35 -4.096 -7.285 1.705 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.070 -5.047 2.950 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.219 -5.161 1.334 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.312 -5.660 0.058 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.417 -3.382 0.317 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.054 -1.519 1.088 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.545 -2.616 2.400 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -2.882 -2.671 1.770 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.643 -2.345 -1.145 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.511 -3.616 -0.626 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.953 -4.043 -1.578 1.00 10.00 H new ATOM 537 N PHE A 36 -7.060 -5.967 0.466 1.00 10.00 N ATOM 538 CA PHE A 36 -8.366 -5.823 -0.157 1.00 10.00 C ATOM 539 C PHE A 36 -9.450 -6.472 0.698 1.00 10.00 C ATOM 540 O PHE A 36 -9.959 -7.536 0.352 1.00 10.00 O ATOM 541 CB PHE A 36 -8.362 -6.408 -1.578 1.00 10.00 C ATOM 542 CG PHE A 36 -7.608 -5.577 -2.600 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.205 -5.533 -2.567 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.306 -4.800 -3.545 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.512 -4.653 -3.408 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.601 -3.984 -4.448 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.203 -3.891 -4.361 1.00 10.00 C ATOM 0 H PHE A 36 -6.462 -6.643 -0.009 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.590 -4.759 -0.232 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.924 -7.405 -1.545 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.393 -6.524 -1.912 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.660 -6.178 -1.893 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.385 -4.831 -3.576 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.439 -4.561 -3.322 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.134 -3.430 -5.207 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.661 -3.235 -5.026 1.00 10.00 H new ATOM 557 N GLY A 37 -9.835 -5.802 1.783 1.00 10.00 N ATOM 558 CA GLY A 37 -10.995 -6.173 2.580 1.00 10.00 C ATOM 559 C GLY A 37 -10.797 -5.826 4.047 1.00 10.00 C ATOM 560 O GLY A 37 -11.132 -6.626 4.919 1.00 10.00 O ATOM 0 H GLY A 37 -9.344 -4.980 2.134 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -11.878 -5.660 2.200 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.180 -7.243 2.480 1.00 10.00 H new ATOM 564 N ARG A 38 -10.262 -4.637 4.336 1.00 10.00 N ATOM 565 CA ARG A 38 -9.991 -4.218 5.696 1.00 10.00 C ATOM 566 C ARG A 38 -9.767 -2.707 5.699 1.00 10.00 C ATOM 567 O ARG A 38 -9.438 -2.135 4.661 1.00 10.00 O ATOM 568 CB ARG A 38 -8.782 -5.001 6.233 1.00 10.00 C ATOM 569 CG ARG A 38 -8.723 -4.939 7.759 1.00 10.00 C ATOM 570 CD ARG A 38 -7.807 -6.025 8.338 1.00 10.00 C ATOM 571 NE ARG A 38 -8.592 -7.108 8.954 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.117 -7.987 9.851 1.00 10.00 C ATOM 573 NH1 ARG A 38 -6.820 -7.971 10.179 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.942 -8.876 10.418 1.00 10.00 N ATOM 0 H ARG A 38 -10.008 -3.946 3.630 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.831 -4.433 6.357 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.845 -6.040 5.910 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.863 -4.591 5.813 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.364 -3.958 8.069 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.727 -5.055 8.167 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.177 -6.433 7.548 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.142 -5.586 9.081 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.570 -7.197 8.679 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.193 -7.292 9.748 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.458 -8.638 10.860 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.931 -8.885 10.168 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.582 -9.544 11.099 1.00 10.00 H new ATOM 588 N LYS A 39 -9.994 -2.061 6.845 1.00 10.00 N ATOM 589 CA LYS A 39 -9.793 -0.626 6.991 1.00 10.00 C ATOM 590 C LYS A 39 -8.311 -0.304 7.168 1.00 10.00 C ATOM 591 O LYS A 39 -7.487 -1.191 7.369 1.00 10.00 O ATOM 592 CB LYS A 39 -10.649 -0.083 8.157 1.00 10.00 C ATOM 593 CG LYS A 39 -11.755 0.867 7.658 1.00 10.00 C ATOM 594 CD LYS A 39 -13.123 0.601 8.306 1.00 10.00 C ATOM 595 CE LYS A 39 -14.228 0.909 7.283 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.580 0.628 7.808 1.00 10.00 N ATOM 0 H LYS A 39 -10.322 -2.521 7.694 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.122 -0.126 6.080 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.101 -0.916 8.696 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.008 0.444 8.864 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -11.459 1.896 7.860 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -11.848 0.769 6.576 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -13.190 -0.437 8.632 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.247 1.222 9.193 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.166 1.957 6.991 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.061 0.317 6.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -16.288 0.852 7.080 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -15.651 -0.378 8.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.753 1.212 8.651 1.00 10.00 H new ATOM 610 N THR A 40 -8.002 0.988 7.097 1.00 10.00 N ATOM 611 CA THR A 40 -6.656 1.521 7.195 1.00 10.00 C ATOM 612 C THR A 40 -6.051 1.206 8.565 1.00 10.00 C ATOM 613 O THR A 40 -5.080 0.466 8.691 1.00 10.00 O ATOM 614 CB THR A 40 -6.765 3.025 6.930 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.670 3.629 7.840 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.241 3.291 5.497 1.00 10.00 C ATOM 0 H THR A 40 -8.708 1.712 6.965 1.00 10.00 H new ATOM 0 HA THR A 40 -5.985 1.066 6.467 1.00 10.00 H new ATOM 0 HB THR A 40 -5.774 3.458 7.066 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.204 4.321 8.354 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.311 4.366 5.331 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.530 2.860 4.792 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.220 2.836 5.349 1.00 10.00 H new ATOM 624 N GLY A 41 -6.664 1.740 9.621 1.00 10.00 N ATOM 625 CA GLY A 41 -6.214 1.558 10.994 1.00 10.00 C ATOM 626 C GLY A 41 -6.572 0.177 11.546 1.00 10.00 C ATOM 627 O GLY A 41 -7.165 0.086 12.619 1.00 10.00 O ATOM 0 H GLY A 41 -7.500 2.319 9.542 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.134 1.696 11.041 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -6.661 2.326 11.625 1.00 10.00 H new ATOM 631 N GLN A 42 -6.219 -0.886 10.820 1.00 10.00 N ATOM 632 CA GLN A 42 -6.429 -2.282 11.192 1.00 10.00 C ATOM 633 C GLN A 42 -5.211 -3.115 10.768 1.00 10.00 C ATOM 634 O GLN A 42 -5.347 -4.216 10.230 1.00 10.00 O ATOM 635 CB GLN A 42 -7.713 -2.806 10.535 1.00 10.00 C ATOM 636 CG GLN A 42 -9.013 -2.267 11.146 1.00 10.00 C ATOM 637 CD GLN A 42 -9.985 -3.402 11.460 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.381 -4.153 10.573 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.367 -3.551 12.725 1.00 10.00 N ATOM 0 H GLN A 42 -5.758 -0.790 9.915 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.542 -2.363 12.273 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.693 -2.551 9.475 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.721 -3.894 10.601 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.788 -1.714 12.058 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.480 -1.565 10.455 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -10.022 -2.912 13.441 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.005 -4.305 12.980 1.00 10.00 H new ATOM 648 N ALA A 43 -4.008 -2.597 11.026 1.00 10.00 N ATOM 649 CA ALA A 43 -2.771 -3.317 10.754 1.00 10.00 C ATOM 650 C ALA A 43 -2.733 -4.621 11.562 1.00 10.00 C ATOM 651 O ALA A 43 -3.295 -4.666 12.660 1.00 10.00 O ATOM 652 CB ALA A 43 -1.587 -2.429 11.131 1.00 10.00 C ATOM 0 H ALA A 43 -3.869 -1.670 11.428 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.717 -3.566 9.694 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.656 -2.960 10.931 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.617 -1.513 10.541 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.642 -2.180 12.191 1.00 10.00 H new ATOM 658 N PRO A 44 -2.076 -5.687 11.072 1.00 10.00 N ATOM 659 CA PRO A 44 -2.004 -6.944 11.800 1.00 10.00 C ATOM 660 C PRO A 44 -1.003 -6.823 12.955 1.00 10.00 C ATOM 661 O PRO A 44 0.095 -7.371 12.898 1.00 10.00 O ATOM 662 CB PRO A 44 -1.598 -7.986 10.752 1.00 10.00 C ATOM 663 CG PRO A 44 -0.755 -7.182 9.761 1.00 10.00 C ATOM 664 CD PRO A 44 -1.405 -5.796 9.781 1.00 10.00 C ATOM 0 HA PRO A 44 -2.946 -7.230 12.268 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -1.027 -8.801 11.196 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.468 -8.432 10.270 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.291 -7.139 10.066 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.779 -7.622 8.764 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.657 -5.012 9.662 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.115 -5.686 8.961 1.00 10.00 H new ATOM 672 N GLY A 45 -1.355 -6.068 14.001 1.00 10.00 N ATOM 673 CA GLY A 45 -0.546 -5.909 15.207 1.00 10.00 C ATOM 674 C GLY A 45 0.661 -4.985 15.016 1.00 10.00 C ATOM 675 O GLY A 45 1.015 -4.256 15.941 1.00 10.00 O ATOM 0 H GLY A 45 -2.228 -5.541 14.030 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.173 -5.514 16.006 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.196 -6.889 15.532 1.00 10.00 H new ATOM 679 N PHE A 46 1.285 -5.025 13.830 1.00 10.00 N ATOM 680 CA PHE A 46 2.291 -4.082 13.349 1.00 10.00 C ATOM 681 C PHE A 46 2.020 -2.664 13.885 1.00 10.00 C ATOM 682 O PHE A 46 0.871 -2.227 13.912 1.00 10.00 O ATOM 683 CB PHE A 46 2.267 -4.089 11.812 1.00 10.00 C ATOM 684 CG PHE A 46 3.034 -2.953 11.161 1.00 10.00 C ATOM 685 CD1 PHE A 46 2.411 -1.701 10.987 1.00 10.00 C ATOM 686 CD2 PHE A 46 4.397 -3.101 10.842 1.00 10.00 C ATOM 687 CE1 PHE A 46 3.167 -0.587 10.594 1.00 10.00 C ATOM 688 CE2 PHE A 46 5.137 -1.995 10.388 1.00 10.00 C ATOM 689 CZ PHE A 46 4.527 -0.733 10.282 1.00 10.00 C ATOM 0 H PHE A 46 1.087 -5.757 13.148 1.00 10.00 H new ATOM 0 HA PHE A 46 3.274 -4.384 13.709 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.678 -5.035 11.460 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.230 -4.048 11.478 1.00 10.00 H new ATOM 0 HD1 PHE A 46 1.349 -1.599 11.157 1.00 10.00 H new ATOM 0 HD2 PHE A 46 4.874 -4.064 10.946 1.00 10.00 H new ATOM 0 HE1 PHE A 46 2.701 0.385 10.531 1.00 10.00 H new ATOM 0 HE2 PHE A 46 6.176 -2.115 10.120 1.00 10.00 H new ATOM 0 HZ PHE A 46 5.104 0.122 9.961 1.00 10.00 H new ATOM 699 N THR A 47 3.072 -1.952 14.298 1.00 10.00 N ATOM 700 CA THR A 47 3.006 -0.646 14.940 1.00 10.00 C ATOM 701 C THR A 47 2.276 0.380 14.064 1.00 10.00 C ATOM 702 O THR A 47 2.890 0.968 13.174 1.00 10.00 O ATOM 703 CB THR A 47 4.447 -0.194 15.218 1.00 10.00 C ATOM 704 OG1 THR A 47 5.193 -0.306 14.023 1.00 10.00 O ATOM 705 CG2 THR A 47 5.120 -1.064 16.285 1.00 10.00 C ATOM 0 H THR A 47 4.029 -2.287 14.188 1.00 10.00 H new ATOM 0 HA THR A 47 2.439 -0.721 15.868 1.00 10.00 H new ATOM 0 HB THR A 47 4.416 0.834 15.579 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.699 0.115 13.288 1.00 10.00 H new ATOM 0 HG21 THR A 47 6.138 -0.712 16.453 1.00 10.00 H new ATOM 0 HG22 THR A 47 4.556 -1.000 17.215 1.00 10.00 H new ATOM 0 HG23 THR A 47 5.146 -2.100 15.947 1.00 10.00 H new ATOM 713 N TYR A 48 0.990 0.612 14.334 1.00 10.00 N ATOM 714 CA TYR A 48 0.122 1.479 13.556 1.00 10.00 C ATOM 715 C TYR A 48 0.178 2.895 14.115 1.00 10.00 C ATOM 716 O TYR A 48 0.357 3.090 15.317 1.00 10.00 O ATOM 717 CB TYR A 48 -1.314 0.931 13.575 1.00 10.00 C ATOM 718 CG TYR A 48 -1.847 0.566 14.952 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.343 1.564 15.813 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.769 -0.766 15.403 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.721 1.236 17.127 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.130 -1.089 16.722 1.00 10.00 C ATOM 723 CZ TYR A 48 -2.601 -0.086 17.585 1.00 10.00 C ATOM 724 OH TYR A 48 -2.955 -0.393 18.865 1.00 10.00 O ATOM 0 H TYR A 48 0.514 0.184 15.128 1.00 10.00 H new ATOM 0 HA TYR A 48 0.461 1.506 12.521 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.976 1.675 13.132 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -1.357 0.046 12.940 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -2.433 2.582 15.464 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.430 -1.542 14.733 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.104 2.002 17.785 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.045 -2.107 17.072 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.813 -1.350 19.023 1.00 10.00 H new ATOM 734 N THR A 49 0.012 3.882 13.237 1.00 10.00 N ATOM 735 CA THR A 49 0.024 5.291 13.584 1.00 10.00 C ATOM 736 C THR A 49 -1.410 5.824 13.695 1.00 10.00 C ATOM 737 O THR A 49 -2.336 5.234 13.135 1.00 10.00 O ATOM 738 CB THR A 49 0.774 6.026 12.470 1.00 10.00 C ATOM 739 OG1 THR A 49 0.234 5.627 11.223 1.00 10.00 O ATOM 740 CG2 THR A 49 2.273 5.714 12.494 1.00 10.00 C ATOM 0 H THR A 49 -0.138 3.714 12.242 1.00 10.00 H new ATOM 0 HA THR A 49 0.512 5.445 14.546 1.00 10.00 H new ATOM 0 HB THR A 49 0.654 7.099 12.622 1.00 10.00 H new ATOM 0 HG1 THR A 49 0.704 6.092 10.499 1.00 10.00 H new ATOM 0 HG21 THR A 49 2.770 6.254 11.688 1.00 10.00 H new ATOM 0 HG22 THR A 49 2.694 6.022 13.451 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.424 4.643 12.360 1.00 10.00 H new ATOM 748 N ASP A 50 -1.582 6.984 14.334 1.00 10.00 N ATOM 749 CA ASP A 50 -2.849 7.694 14.399 1.00 10.00 C ATOM 750 C ASP A 50 -3.327 8.056 12.993 1.00 10.00 C ATOM 751 O ASP A 50 -4.456 7.738 12.634 1.00 10.00 O ATOM 752 CB ASP A 50 -2.708 8.948 15.279 1.00 10.00 C ATOM 753 CG ASP A 50 -1.750 9.982 14.698 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.751 9.532 14.087 1.00 10.00 O ATOM 755 OD2 ASP A 50 -2.064 11.182 14.813 1.00 10.00 O ATOM 0 H ASP A 50 -0.827 7.460 14.828 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.598 7.045 14.851 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -3.689 9.404 15.411 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.358 8.653 16.268 1.00 10.00 H new ATOM 760 N ALA A 51 -2.479 8.706 12.192 1.00 10.00 N ATOM 761 CA ALA A 51 -2.857 9.261 10.898 1.00 10.00 C ATOM 762 C ALA A 51 -3.485 8.192 10.002 1.00 10.00 C ATOM 763 O ALA A 51 -4.519 8.418 9.373 1.00 10.00 O ATOM 764 CB ALA A 51 -1.639 9.911 10.235 1.00 10.00 C ATOM 0 H ALA A 51 -1.500 8.861 12.430 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.613 10.031 11.052 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.928 10.324 9.268 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.261 10.710 10.873 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.860 9.162 10.091 1.00 10.00 H new ATOM 770 N ASN A 52 -2.867 7.008 9.957 1.00 10.00 N ATOM 771 CA ASN A 52 -3.388 5.890 9.181 1.00 10.00 C ATOM 772 C ASN A 52 -4.810 5.523 9.631 1.00 10.00 C ATOM 773 O ASN A 52 -5.713 5.337 8.816 1.00 10.00 O ATOM 774 CB ASN A 52 -2.433 4.686 9.253 1.00 10.00 C ATOM 775 CG ASN A 52 -2.708 3.700 8.121 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.519 3.977 7.243 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.007 2.580 8.081 1.00 10.00 N ATOM 0 H ASN A 52 -2.000 6.803 10.454 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.451 6.195 8.136 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.401 5.032 9.196 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.548 4.183 10.213 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.135 1.926 7.309 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -1.338 2.370 8.822 1.00 10.00 H new ATOM 784 N LYS A 53 -5.038 5.465 10.944 1.00 10.00 N ATOM 785 CA LYS A 53 -6.375 5.259 11.491 1.00 10.00 C ATOM 786 C LYS A 53 -7.319 6.392 11.077 1.00 10.00 C ATOM 787 O LYS A 53 -8.426 6.141 10.598 1.00 10.00 O ATOM 788 CB LYS A 53 -6.308 5.113 13.020 1.00 10.00 C ATOM 789 CG LYS A 53 -7.493 4.306 13.573 1.00 10.00 C ATOM 790 CD LYS A 53 -8.047 4.936 14.858 1.00 10.00 C ATOM 791 CE LYS A 53 -8.942 3.927 15.593 1.00 10.00 C ATOM 792 NZ LYS A 53 -9.691 4.549 16.705 1.00 10.00 N ATOM 0 H LYS A 53 -4.308 5.559 11.650 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.779 4.334 11.080 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -5.375 4.623 13.297 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -6.297 6.102 13.479 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -8.282 4.253 12.822 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -7.176 3.283 13.775 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.226 5.245 15.505 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.618 5.833 14.617 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -9.645 3.486 14.886 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -8.328 3.115 15.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -10.281 3.830 17.171 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.022 4.948 17.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -10.298 5.307 16.333 1.00 10.00 H new ATOM 806 N ASN A 54 -6.860 7.635 11.246 1.00 10.00 N ATOM 807 CA ASN A 54 -7.596 8.862 10.960 1.00 10.00 C ATOM 808 C ASN A 54 -8.146 8.876 9.534 1.00 10.00 C ATOM 809 O ASN A 54 -9.137 9.546 9.260 1.00 10.00 O ATOM 810 CB ASN A 54 -6.687 10.080 11.195 1.00 10.00 C ATOM 811 CG ASN A 54 -7.475 11.286 11.693 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.759 12.215 10.946 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.811 11.289 12.981 1.00 10.00 N ATOM 0 H ASN A 54 -5.922 7.818 11.602 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.449 8.908 11.637 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.916 9.824 11.922 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.177 10.337 10.267 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -8.320 12.081 13.373 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -7.559 10.499 13.576 1.00 10.00 H new ATOM 820 N LYS A 55 -7.506 8.126 8.631 1.00 10.00 N ATOM 821 CA LYS A 55 -7.918 7.999 7.242 1.00 10.00 C ATOM 822 C LYS A 55 -9.370 7.529 7.133 1.00 10.00 C ATOM 823 O LYS A 55 -10.126 8.037 6.309 1.00 10.00 O ATOM 824 CB LYS A 55 -6.975 7.015 6.543 1.00 10.00 C ATOM 825 CG LYS A 55 -6.737 7.383 5.079 1.00 10.00 C ATOM 826 CD LYS A 55 -5.791 6.362 4.428 1.00 10.00 C ATOM 827 CE LYS A 55 -4.867 7.025 3.404 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.820 7.816 4.075 1.00 10.00 N ATOM 0 H LYS A 55 -6.672 7.583 8.856 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.861 8.974 6.759 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.021 6.992 7.070 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.394 6.010 6.600 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.685 7.406 4.542 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.308 8.383 5.012 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.192 5.876 5.199 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.376 5.582 3.940 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.406 6.262 2.777 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -5.450 7.670 2.746 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -3.475 8.554 3.429 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -4.214 8.260 4.929 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -3.031 7.193 4.341 1.00 10.00 H new ATOM 842 N GLY A 56 -9.740 6.533 7.945 1.00 10.00 N ATOM 843 CA GLY A 56 -11.097 6.019 8.020 1.00 10.00 C ATOM 844 C GLY A 56 -11.674 5.588 6.667 1.00 10.00 C ATOM 845 O GLY A 56 -12.800 5.946 6.330 1.00 10.00 O ATOM 0 H GLY A 56 -9.091 6.060 8.574 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -11.115 5.167 8.700 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.742 6.785 8.451 1.00 10.00 H new ATOM 849 N ILE A 57 -10.926 4.779 5.912 1.00 10.00 N ATOM 850 CA ILE A 57 -11.319 4.275 4.598 1.00 10.00 C ATOM 851 C ILE A 57 -10.790 2.852 4.428 1.00 10.00 C ATOM 852 O ILE A 57 -10.166 2.313 5.344 1.00 10.00 O ATOM 853 CB ILE A 57 -10.872 5.233 3.465 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.452 5.763 3.630 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.888 6.364 3.274 1.00 10.00 C ATOM 856 CD1 ILE A 57 -9.081 6.756 2.519 1.00 10.00 C ATOM 0 H ILE A 57 -10.007 4.449 6.207 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.406 4.237 4.530 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.846 4.636 2.553 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -9.357 6.251 4.600 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.750 4.929 3.622 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -11.552 7.023 2.474 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.858 5.941 3.013 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -11.977 6.933 4.199 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -8.062 7.110 2.673 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.151 6.261 1.550 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.767 7.603 2.544 1.00 10.00 H new ATOM 868 N THR A 58 -11.098 2.238 3.282 1.00 10.00 N ATOM 869 CA THR A 58 -10.679 0.892 2.921 1.00 10.00 C ATOM 870 C THR A 58 -9.719 0.944 1.736 1.00 10.00 C ATOM 871 O THR A 58 -9.340 2.016 1.259 1.00 10.00 O ATOM 872 CB THR A 58 -11.908 0.006 2.647 1.00 10.00 C ATOM 873 OG1 THR A 58 -11.524 -1.355 2.574 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.604 0.374 1.337 1.00 10.00 C ATOM 0 H THR A 58 -11.665 2.684 2.560 1.00 10.00 H new ATOM 0 HA THR A 58 -10.140 0.440 3.754 1.00 10.00 H new ATOM 0 HB THR A 58 -12.601 0.170 3.472 1.00 10.00 H new ATOM 0 HG1 THR A 58 -10.866 -1.547 3.275 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.465 -0.278 1.187 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.937 1.411 1.381 1.00 10.00 H new ATOM 0 HG23 THR A 58 -11.907 0.252 0.508 1.00 10.00 H new ATOM 882 N TRP A 59 -9.374 -0.245 1.253 1.00 10.00 N ATOM 883 CA TRP A 59 -8.459 -0.490 0.162 1.00 10.00 C ATOM 884 C TRP A 59 -9.200 -1.314 -0.884 1.00 10.00 C ATOM 885 O TRP A 59 -9.334 -2.525 -0.744 1.00 10.00 O ATOM 886 CB TRP A 59 -7.249 -1.222 0.733 1.00 10.00 C ATOM 887 CG TRP A 59 -6.602 -0.503 1.874 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.633 -0.872 3.175 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.865 0.753 1.826 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.867 0.014 3.908 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.429 1.073 3.141 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.508 1.646 0.794 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.679 2.226 3.422 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.749 2.798 1.061 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.348 3.100 2.374 1.00 10.00 C ATOM 0 H TRP A 59 -9.752 -1.109 1.641 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.108 0.425 -0.315 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.557 -2.213 1.066 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.514 -1.366 -0.059 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.169 -1.720 3.575 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.651 -0.101 4.898 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -5.823 1.441 -0.218 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.360 2.438 4.432 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.472 3.456 0.251 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.787 4.001 2.576 1.00 10.00 H new ATOM 906 N LYS A 60 -9.729 -0.649 -1.911 1.00 10.00 N ATOM 907 CA LYS A 60 -10.529 -1.293 -2.943 1.00 10.00 C ATOM 908 C LYS A 60 -10.142 -0.753 -4.315 1.00 10.00 C ATOM 909 O LYS A 60 -11.008 -0.450 -5.128 1.00 10.00 O ATOM 910 CB LYS A 60 -12.016 -1.080 -2.639 1.00 10.00 C ATOM 911 CG LYS A 60 -12.417 0.408 -2.613 1.00 10.00 C ATOM 912 CD LYS A 60 -13.934 0.548 -2.754 1.00 10.00 C ATOM 913 CE LYS A 60 -14.364 0.292 -4.211 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.644 -0.423 -4.315 1.00 10.00 N ATOM 0 H LYS A 60 -9.612 0.355 -2.048 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.338 -2.366 -2.951 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -12.613 -1.599 -3.389 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.253 -1.532 -1.676 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -12.087 0.865 -1.680 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.918 0.941 -3.423 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -14.434 -0.158 -2.091 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -14.243 1.547 -2.447 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -14.443 1.245 -4.733 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.590 -0.285 -4.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.881 -0.566 -5.317 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.565 -1.346 -3.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -16.392 0.137 -3.859 1.00 10.00 H new ATOM 928 N GLU A 61 -8.839 -0.596 -4.537 1.00 10.00 N ATOM 929 CA GLU A 61 -8.261 0.044 -5.705 1.00 10.00 C ATOM 930 C GLU A 61 -8.364 1.572 -5.641 1.00 10.00 C ATOM 931 O GLU A 61 -7.321 2.211 -5.616 1.00 10.00 O ATOM 932 CB GLU A 61 -8.627 -0.656 -7.021 1.00 10.00 C ATOM 933 CG GLU A 61 -9.697 -0.002 -7.895 1.00 10.00 C ATOM 934 CD GLU A 61 -9.119 1.101 -8.768 1.00 10.00 C ATOM 935 OE1 GLU A 61 -8.147 0.787 -9.486 1.00 10.00 O ATOM 936 OE2 GLU A 61 -9.638 2.230 -8.672 1.00 10.00 O ATOM 0 H GLU A 61 -8.133 -0.926 -3.879 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.182 -0.109 -5.688 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.718 -0.750 -7.616 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.959 -1.667 -6.783 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.162 -0.759 -8.527 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.482 0.410 -7.261 1.00 10.00 H new ATOM 943 N GLU A 62 -9.567 2.144 -5.502 1.00 10.00 N ATOM 944 CA GLU A 62 -9.811 3.593 -5.480 1.00 10.00 C ATOM 945 C GLU A 62 -8.782 4.352 -4.638 1.00 10.00 C ATOM 946 O GLU A 62 -7.903 5.027 -5.165 1.00 10.00 O ATOM 947 CB GLU A 62 -11.216 3.858 -4.916 1.00 10.00 C ATOM 948 CG GLU A 62 -12.337 3.542 -5.913 1.00 10.00 C ATOM 949 CD GLU A 62 -13.714 3.535 -5.257 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.767 3.610 -4.009 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.700 3.339 -5.999 1.00 10.00 O ATOM 0 H GLU A 62 -10.422 1.597 -5.399 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.725 3.954 -6.505 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.359 3.258 -4.017 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.289 4.904 -4.617 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -12.324 4.279 -6.716 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.150 2.570 -6.370 1.00 10.00 H new ATOM 958 N THR A 63 -8.869 4.242 -3.310 1.00 10.00 N ATOM 959 CA THR A 63 -7.952 4.956 -2.441 1.00 10.00 C ATOM 960 C THR A 63 -6.503 4.644 -2.808 1.00 10.00 C ATOM 961 O THR A 63 -5.656 5.525 -2.762 1.00 10.00 O ATOM 962 CB THR A 63 -8.303 4.671 -0.971 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.551 5.274 -0.703 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.267 5.174 0.042 1.00 10.00 C ATOM 0 H THR A 63 -9.560 3.670 -2.824 1.00 10.00 H new ATOM 0 HA THR A 63 -8.060 6.031 -2.583 1.00 10.00 H new ATOM 0 HB THR A 63 -8.326 3.588 -0.849 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.487 6.240 -0.855 1.00 10.00 H new ATOM 0 HG21 THR A 63 -7.597 4.930 1.052 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.307 4.696 -0.152 1.00 10.00 H new ATOM 0 HG23 THR A 63 -7.160 6.255 -0.053 1.00 10.00 H new ATOM 972 N LEU A 64 -6.211 3.407 -3.202 1.00 10.00 N ATOM 973 CA LEU A 64 -4.883 2.985 -3.614 1.00 10.00 C ATOM 974 C LEU A 64 -4.378 3.765 -4.837 1.00 10.00 C ATOM 975 O LEU A 64 -3.235 4.227 -4.838 1.00 10.00 O ATOM 976 CB LEU A 64 -4.896 1.461 -3.821 1.00 10.00 C ATOM 977 CG LEU A 64 -3.930 0.733 -2.889 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.593 -0.520 -2.325 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.665 0.370 -3.669 1.00 10.00 C ATOM 0 H LEU A 64 -6.905 2.660 -3.243 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.163 3.219 -2.829 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.906 1.085 -3.657 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.636 1.236 -4.855 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.663 1.380 -2.054 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -3.897 -1.033 -1.661 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.486 -0.239 -1.767 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -4.871 -1.184 -3.143 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -1.969 -0.150 -3.011 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.927 -0.278 -4.506 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -2.197 1.279 -4.046 1.00 10.00 H new ATOM 991 N MET A 65 -5.223 3.939 -5.856 1.00 10.00 N ATOM 992 CA MET A 65 -4.939 4.713 -7.050 1.00 10.00 C ATOM 993 C MET A 65 -4.430 6.114 -6.715 1.00 10.00 C ATOM 994 O MET A 65 -3.532 6.606 -7.397 1.00 10.00 O ATOM 995 CB MET A 65 -6.190 4.773 -7.944 1.00 10.00 C ATOM 996 CG MET A 65 -6.250 3.624 -8.954 1.00 10.00 C ATOM 997 SD MET A 65 -6.679 4.176 -10.632 1.00 10.00 S ATOM 998 CE MET A 65 -5.451 3.255 -11.584 1.00 10.00 C ATOM 0 H MET A 65 -6.156 3.526 -5.865 1.00 10.00 H new ATOM 0 HA MET A 65 -4.139 4.213 -7.596 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.081 4.747 -7.317 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.204 5.723 -8.479 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.284 3.119 -8.979 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.984 2.891 -8.619 1.00 10.00 H new ATOM 0 HE1 MET A 65 -5.571 3.477 -12.644 1.00 10.00 H new ATOM 0 HE2 MET A 65 -4.450 3.545 -11.264 1.00 10.00 H new ATOM 0 HE3 MET A 65 -5.590 2.186 -11.419 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.969 6.745 -5.671 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.549 8.076 -5.263 1.00 10.00 C ATOM 1010 C GLU A 66 -3.372 7.960 -4.297 1.00 10.00 C ATOM 1011 O GLU A 66 -2.370 8.650 -4.439 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.763 8.818 -4.689 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.630 9.343 -5.845 1.00 10.00 C ATOM 1014 CD GLU A 66 -8.119 9.231 -5.549 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.590 10.037 -4.719 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -8.753 8.350 -6.166 1.00 10.00 O ATOM 0 H GLU A 66 -5.706 6.345 -5.090 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.190 8.666 -6.106 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.346 8.149 -4.056 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.434 9.646 -4.061 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.378 10.385 -6.040 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -6.399 8.784 -6.752 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.452 7.044 -3.336 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.463 6.851 -2.292 1.00 10.00 C ATOM 1025 C TYR A 67 -1.082 6.555 -2.873 1.00 10.00 C ATOM 1026 O TYR A 67 -0.102 7.128 -2.415 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.937 5.740 -1.350 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.104 5.541 -0.094 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.115 6.507 0.929 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.331 4.376 0.062 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.316 6.334 2.077 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.534 4.205 1.207 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.516 5.184 2.213 1.00 10.00 C ATOM 1034 OH TYR A 67 0.302 5.050 3.304 1.00 10.00 O ATOM 0 H TYR A 67 -4.236 6.396 -3.265 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.361 7.775 -1.722 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.964 5.954 -1.053 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.955 4.802 -1.904 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.738 7.384 0.834 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.350 3.611 -0.700 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.318 7.085 2.853 1.00 10.00 H new ATOM 0 HE2 TYR A 67 0.068 3.315 1.314 1.00 10.00 H new ATOM 0 HH TYR A 67 0.432 4.099 3.501 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.971 5.682 -3.876 1.00 10.00 N ATOM 1045 CA LEU A 68 0.327 5.397 -4.489 1.00 10.00 C ATOM 1046 C LEU A 68 0.750 6.474 -5.492 1.00 10.00 C ATOM 1047 O LEU A 68 1.905 6.483 -5.923 1.00 10.00 O ATOM 1048 CB LEU A 68 0.325 4.030 -5.173 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.072 2.860 -4.273 1.00 10.00 C ATOM 1050 CD1 LEU A 68 0.165 1.577 -5.079 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.691 2.800 -2.946 1.00 10.00 C ATOM 0 H LEU A 68 -1.754 5.166 -4.277 1.00 10.00 H new ATOM 0 HA LEU A 68 1.054 5.393 -3.677 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.359 4.065 -6.021 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.320 3.839 -5.574 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.117 2.986 -3.989 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.106 0.712 -4.474 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -0.447 1.595 -5.981 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.217 1.511 -5.356 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.349 1.941 -2.368 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.758 2.702 -3.144 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.509 3.714 -2.380 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.174 7.346 -5.906 1.00 10.00 N ATOM 1064 CA GLU A 69 0.141 8.508 -6.724 1.00 10.00 C ATOM 1065 C GLU A 69 0.672 9.621 -5.815 1.00 10.00 C ATOM 1066 O GLU A 69 1.573 10.367 -6.195 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.110 8.908 -7.521 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.799 9.725 -8.786 1.00 10.00 C ATOM 1069 CD GLU A 69 -0.558 11.206 -8.526 1.00 10.00 C ATOM 1070 OE1 GLU A 69 -1.114 11.722 -7.535 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.183 11.790 -9.343 1.00 10.00 O ATOM 0 H GLU A 69 -1.165 7.260 -5.679 1.00 10.00 H new ATOM 0 HA GLU A 69 0.923 8.292 -7.452 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.653 8.007 -7.805 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.771 9.488 -6.877 1.00 10.00 H new ATOM 0 HG2 GLU A 69 0.082 9.304 -9.270 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.628 9.620 -9.486 1.00 10.00 H new ATOM 1078 N ASN A 70 0.133 9.712 -4.594 1.00 10.00 N ATOM 1079 CA ASN A 70 0.399 10.784 -3.651 1.00 10.00 C ATOM 1080 C ASN A 70 -0.185 10.427 -2.273 1.00 10.00 C ATOM 1081 O ASN A 70 -1.313 10.799 -1.959 1.00 10.00 O ATOM 1082 CB ASN A 70 -0.191 12.092 -4.211 1.00 10.00 C ATOM 1083 CG ASN A 70 0.875 13.146 -4.442 1.00 10.00 C ATOM 1084 OD1 ASN A 70 1.081 14.021 -3.605 1.00 10.00 O ATOM 1085 ND2 ASN A 70 1.575 13.052 -5.564 1.00 10.00 N ATOM 0 H ASN A 70 -0.519 9.016 -4.232 1.00 10.00 H new ATOM 0 HA ASN A 70 1.472 10.921 -3.518 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -0.705 11.885 -5.150 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -0.938 12.478 -3.518 1.00 10.00 H new ATOM 0 HD21 ASN A 70 2.318 13.723 -5.759 1.00 10.00 H new ATOM 0 HD22 ASN A 70 1.370 12.309 -6.232 1.00 10.00 H new ATOM 1092 N PRO A 71 0.561 9.735 -1.398 1.00 10.00 N ATOM 1093 CA PRO A 71 0.030 9.352 -0.096 1.00 10.00 C ATOM 1094 C PRO A 71 -0.021 10.561 0.844 1.00 10.00 C ATOM 1095 O PRO A 71 -0.944 10.698 1.647 1.00 10.00 O ATOM 1096 CB PRO A 71 0.940 8.228 0.404 1.00 10.00 C ATOM 1097 CG PRO A 71 2.265 8.443 -0.330 1.00 10.00 C ATOM 1098 CD PRO A 71 1.889 9.179 -1.620 1.00 10.00 C ATOM 0 HA PRO A 71 -1.000 8.999 -0.148 1.00 10.00 H new ATOM 0 HB2 PRO A 71 1.074 8.278 1.485 1.00 10.00 H new ATOM 0 HB3 PRO A 71 0.518 7.248 0.180 1.00 10.00 H new ATOM 0 HG2 PRO A 71 2.959 9.030 0.272 1.00 10.00 H new ATOM 0 HG3 PRO A 71 2.755 7.494 -0.546 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.609 9.967 -1.843 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.889 8.498 -2.471 1.00 10.00 H new ATOM 1106 N LYS A 72 0.970 11.450 0.721 1.00 10.00 N ATOM 1107 CA LYS A 72 1.053 12.694 1.471 1.00 10.00 C ATOM 1108 C LYS A 72 -0.193 13.574 1.302 1.00 10.00 C ATOM 1109 O LYS A 72 -0.582 14.266 2.238 1.00 10.00 O ATOM 1110 CB LYS A 72 2.362 13.442 1.148 1.00 10.00 C ATOM 1111 CG LYS A 72 2.649 13.808 -0.326 1.00 10.00 C ATOM 1112 CD LYS A 72 3.207 12.647 -1.176 1.00 10.00 C ATOM 1113 CE LYS A 72 4.143 13.113 -2.314 1.00 10.00 C ATOM 1114 NZ LYS A 72 4.901 11.999 -2.945 1.00 10.00 N ATOM 0 H LYS A 72 1.752 11.315 0.080 1.00 10.00 H new ATOM 0 HA LYS A 72 1.078 12.436 2.530 1.00 10.00 H new ATOM 0 HB2 LYS A 72 2.370 14.365 1.728 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.191 12.833 1.507 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.727 14.167 -0.784 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.360 14.634 -0.350 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.750 11.960 -0.527 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.375 12.089 -1.606 1.00 10.00 H new ATOM 0 HE2 LYS A 72 3.552 13.619 -3.077 1.00 10.00 H new ATOM 0 HE3 LYS A 72 4.848 13.845 -1.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 5.920 12.150 -2.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 4.621 11.098 -2.508 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 4.692 11.970 -3.963 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.830 13.547 0.125 1.00 10.00 N ATOM 1129 CA LYS A 73 -2.063 14.291 -0.122 1.00 10.00 C ATOM 1130 C LYS A 73 -3.148 13.895 0.876 1.00 10.00 C ATOM 1131 O LYS A 73 -3.786 14.764 1.465 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.555 14.035 -1.553 1.00 10.00 C ATOM 1133 CG LYS A 73 -2.143 15.143 -2.533 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.290 16.157 -2.650 1.00 10.00 C ATOM 1135 CE LYS A 73 -2.951 17.270 -3.650 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.091 18.192 -3.848 1.00 10.00 N ATOM 0 H LYS A 73 -0.504 13.010 -0.678 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.850 15.353 0.002 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -2.159 13.082 -1.903 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -3.641 13.947 -1.548 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -1.237 15.638 -2.183 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.916 14.716 -3.510 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -4.199 15.646 -2.966 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.493 16.593 -1.672 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -2.087 17.830 -3.292 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.670 16.828 -4.606 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -3.825 18.931 -4.530 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -4.907 17.661 -4.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.343 18.633 -2.940 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.377 12.588 1.042 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.409 12.106 1.950 1.00 10.00 C ATOM 1152 C TYR A 74 -4.167 12.622 3.365 1.00 10.00 C ATOM 1153 O TYR A 74 -5.102 13.058 4.030 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.467 10.573 1.949 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.445 9.994 0.952 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.826 10.096 1.205 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -4.989 9.297 -0.181 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -7.748 9.476 0.348 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -5.914 8.677 -1.035 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.292 8.781 -0.782 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.164 8.072 -1.545 1.00 10.00 O ATOM 0 H TYR A 74 -2.861 11.852 0.559 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.368 12.488 1.599 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.472 10.182 1.735 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.736 10.229 2.948 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -7.177 10.653 2.061 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -3.932 9.239 -0.393 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -8.806 9.534 0.558 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -5.565 8.118 -1.890 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.046 8.314 -2.487 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.922 12.521 3.835 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.537 12.937 5.175 1.00 10.00 C ATOM 1173 C ILE A 75 -1.104 13.490 5.129 1.00 10.00 C ATOM 1174 O ILE A 75 -0.161 12.711 4.954 1.00 10.00 O ATOM 1175 CB ILE A 75 -2.689 11.774 6.180 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -2.248 10.434 5.569 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -4.144 11.650 6.664 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -1.996 9.353 6.624 1.00 10.00 C ATOM 0 H ILE A 75 -2.149 12.144 3.287 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.200 13.728 5.525 1.00 10.00 H new ATOM 0 HB ILE A 75 -2.042 12.004 7.027 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.014 10.087 4.876 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -1.338 10.587 4.988 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -4.223 10.824 7.370 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -4.445 12.576 7.154 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -4.796 11.462 5.811 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.688 8.430 6.133 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -1.210 9.683 7.303 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -2.911 9.175 7.189 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.910 14.814 5.272 1.00 10.00 N ATOM 1191 CA PRO A 76 0.405 15.434 5.181 1.00 10.00 C ATOM 1192 C PRO A 76 1.217 15.192 6.463 1.00 10.00 C ATOM 1193 O PRO A 76 1.519 16.120 7.207 1.00 10.00 O ATOM 1194 CB PRO A 76 0.132 16.914 4.879 1.00 10.00 C ATOM 1195 CG PRO A 76 -1.234 17.172 5.511 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.951 15.829 5.371 1.00 10.00 C ATOM 0 HA PRO A 76 1.026 15.006 4.394 1.00 10.00 H new ATOM 0 HB2 PRO A 76 0.899 17.558 5.309 1.00 10.00 H new ATOM 0 HB3 PRO A 76 0.119 17.107 3.806 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -1.143 17.472 6.555 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.770 17.969 4.996 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.595 15.642 6.230 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.588 15.819 4.487 1.00 10.00 H new ATOM 1204 N GLY A 77 1.592 13.932 6.701 1.00 10.00 N ATOM 1205 CA GLY A 77 2.435 13.511 7.814 1.00 10.00 C ATOM 1206 C GLY A 77 2.477 11.985 7.863 1.00 10.00 C ATOM 1207 O GLY A 77 2.072 11.387 8.855 1.00 10.00 O ATOM 0 H GLY A 77 1.306 13.156 6.104 1.00 10.00 H new ATOM 0 HA2 GLY A 77 3.442 13.911 7.695 1.00 10.00 H new ATOM 0 HA3 GLY A 77 2.044 13.906 8.752 1.00 10.00 H new ATOM 1211 N THR A 78 2.948 11.363 6.775 1.00 10.00 N ATOM 1212 CA THR A 78 3.046 9.911 6.648 1.00 10.00 C ATOM 1213 C THR A 78 4.520 9.483 6.702 1.00 10.00 C ATOM 1214 O THR A 78 5.064 9.288 7.784 1.00 10.00 O ATOM 1215 CB THR A 78 2.290 9.456 5.383 1.00 10.00 C ATOM 1216 OG1 THR A 78 0.925 9.773 5.511 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.349 7.943 5.167 1.00 10.00 C ATOM 0 H THR A 78 3.275 11.865 5.949 1.00 10.00 H new ATOM 0 HA THR A 78 2.563 9.407 7.485 1.00 10.00 H new ATOM 0 HB THR A 78 2.769 9.965 4.547 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.790 10.724 5.317 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.800 7.683 4.262 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.388 7.631 5.063 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.901 7.436 6.022 1.00 10.00 H new ATOM 1225 N LYS A 79 5.168 9.322 5.544 1.00 10.00 N ATOM 1226 CA LYS A 79 6.555 8.890 5.419 1.00 10.00 C ATOM 1227 C LYS A 79 6.989 9.209 3.987 1.00 10.00 C ATOM 1228 O LYS A 79 7.212 8.307 3.182 1.00 10.00 O ATOM 1229 CB LYS A 79 6.706 7.392 5.785 1.00 10.00 C ATOM 1230 CG LYS A 79 5.938 6.421 4.864 1.00 10.00 C ATOM 1231 CD LYS A 79 4.922 5.537 5.604 1.00 10.00 C ATOM 1232 CE LYS A 79 3.988 4.852 4.585 1.00 10.00 C ATOM 1233 NZ LYS A 79 2.652 4.547 5.144 1.00 10.00 N ATOM 0 H LYS A 79 4.724 9.495 4.642 1.00 10.00 H new ATOM 0 HA LYS A 79 7.204 9.416 6.118 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.764 7.132 5.762 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.364 7.246 6.810 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.416 6.996 4.100 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.654 5.781 4.348 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.443 4.785 6.196 1.00 10.00 H new ATOM 0 HD3 LYS A 79 4.338 6.141 6.298 1.00 10.00 H new ATOM 0 HE2 LYS A 79 3.873 5.497 3.714 1.00 10.00 H new ATOM 0 HE3 LYS A 79 4.451 3.928 4.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 2.230 3.754 4.621 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 2.746 4.289 6.147 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 2.040 5.384 5.057 1.00 10.00 H new ATOM 1247 N MET A 80 6.987 10.496 3.619 1.00 10.00 N ATOM 1248 CA MET A 80 7.215 10.865 2.230 1.00 10.00 C ATOM 1249 C MET A 80 8.578 10.338 1.786 1.00 10.00 C ATOM 1250 O MET A 80 9.554 10.510 2.514 1.00 10.00 O ATOM 1251 CB MET A 80 7.134 12.385 2.007 1.00 10.00 C ATOM 1252 CG MET A 80 6.626 12.634 0.580 1.00 10.00 C ATOM 1253 SD MET A 80 7.168 14.117 -0.304 1.00 10.00 S ATOM 1254 CE MET A 80 6.500 15.427 0.742 1.00 10.00 C ATOM 0 H MET A 80 6.833 11.280 4.254 1.00 10.00 H new ATOM 0 HA MET A 80 6.425 10.414 1.630 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.462 12.841 2.735 1.00 10.00 H new ATOM 0 HB3 MET A 80 8.113 12.842 2.147 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.907 11.771 -0.024 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.537 12.655 0.618 1.00 10.00 H new ATOM 0 HE1 MET A 80 6.757 16.398 0.318 1.00 10.00 H new ATOM 0 HE2 MET A 80 5.416 15.331 0.797 1.00 10.00 H new ATOM 0 HE3 MET A 80 6.923 15.344 1.743 1.00 10.00 H new ATOM 1264 N ILE A 81 8.632 9.695 0.614 1.00 10.00 N ATOM 1265 CA ILE A 81 9.867 9.116 0.105 1.00 10.00 C ATOM 1266 C ILE A 81 10.201 9.524 -1.327 1.00 10.00 C ATOM 1267 O ILE A 81 11.357 9.805 -1.631 1.00 10.00 O ATOM 1268 CB ILE A 81 9.883 7.578 0.261 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.522 6.943 -0.089 1.00 10.00 C ATOM 1270 CG2 ILE A 81 10.316 7.155 1.669 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.648 5.488 -0.555 1.00 10.00 C ATOM 0 H ILE A 81 7.826 9.565 0.002 1.00 10.00 H new ATOM 0 HA ILE A 81 10.657 9.537 0.727 1.00 10.00 H new ATOM 0 HB ILE A 81 10.620 7.207 -0.452 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.871 6.985 0.784 1.00 10.00 H new ATOM 0 HG13 ILE A 81 8.043 7.530 -0.872 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.315 6.067 1.739 1.00 10.00 H new ATOM 0 HG22 ILE A 81 11.320 7.530 1.869 1.00 10.00 H new ATOM 0 HG23 ILE A 81 9.622 7.566 2.402 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.659 5.093 -0.787 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.275 5.444 -1.446 1.00 10.00 H new ATOM 0 HD13 ILE A 81 9.100 4.890 0.236 1.00 10.00 H new ATOM 1283 N PHE A 82 9.216 9.534 -2.222 1.00 10.00 N ATOM 1284 CA PHE A 82 9.424 9.882 -3.616 1.00 10.00 C ATOM 1285 C PHE A 82 8.105 10.396 -4.181 1.00 10.00 C ATOM 1286 O PHE A 82 7.174 10.678 -3.416 1.00 10.00 O ATOM 1287 CB PHE A 82 10.045 8.703 -4.401 1.00 10.00 C ATOM 1288 CG PHE A 82 9.145 7.557 -4.858 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.143 7.027 -4.022 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.416 6.919 -6.085 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.423 5.880 -4.404 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.684 5.783 -6.476 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.680 5.265 -5.640 1.00 10.00 C ATOM 0 H PHE A 82 8.250 9.299 -1.995 1.00 10.00 H new ATOM 0 HA PHE A 82 10.156 10.684 -3.715 1.00 10.00 H new ATOM 0 HB2 PHE A 82 10.526 9.116 -5.288 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.833 8.275 -3.781 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.925 7.506 -3.079 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.191 7.305 -6.730 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.671 5.472 -3.745 1.00 10.00 H new ATOM 0 HE2 PHE A 82 8.894 5.307 -7.422 1.00 10.00 H new ATOM 0 HZ PHE A 82 7.110 4.400 -5.946 1.00 10.00 H new ATOM 1303 N ALA A 83 8.027 10.527 -5.506 1.00 10.00 N ATOM 1304 CA ALA A 83 6.792 10.864 -6.188 1.00 10.00 C ATOM 1305 C ALA A 83 5.749 9.787 -5.891 1.00 10.00 C ATOM 1306 O ALA A 83 4.825 10.035 -5.111 1.00 10.00 O ATOM 1307 CB ALA A 83 7.058 11.024 -7.690 1.00 10.00 C ATOM 0 H ALA A 83 8.823 10.401 -6.131 1.00 10.00 H new ATOM 0 HA ALA A 83 6.401 11.816 -5.828 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.128 11.277 -8.199 1.00 10.00 H new ATOM 0 HB2 ALA A 83 7.786 11.819 -7.848 1.00 10.00 H new ATOM 0 HB3 ALA A 83 7.449 10.089 -8.092 1.00 10.00 H new ATOM 1313 N GLY A 84 5.932 8.607 -6.490 1.00 10.00 N ATOM 1314 CA GLY A 84 4.989 7.507 -6.489 1.00 10.00 C ATOM 1315 C GLY A 84 5.320 6.590 -7.666 1.00 10.00 C ATOM 1316 O GLY A 84 6.379 6.726 -8.280 1.00 10.00 O ATOM 0 H GLY A 84 6.783 8.392 -7.010 1.00 10.00 H new ATOM 0 HA2 GLY A 84 5.049 6.956 -5.550 1.00 10.00 H new ATOM 0 HA3 GLY A 84 3.969 7.881 -6.574 1.00 10.00 H new ATOM 1320 N ILE A 85 4.412 5.668 -7.998 1.00 10.00 N ATOM 1321 CA ILE A 85 4.554 4.797 -9.159 1.00 10.00 C ATOM 1322 C ILE A 85 4.577 5.635 -10.436 1.00 10.00 C ATOM 1323 O ILE A 85 3.951 6.695 -10.495 1.00 10.00 O ATOM 1324 CB ILE A 85 3.402 3.777 -9.179 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.795 2.456 -8.519 1.00 10.00 C ATOM 1326 CG2 ILE A 85 2.834 3.482 -10.570 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.525 1.478 -9.446 1.00 10.00 C ATOM 0 H ILE A 85 3.557 5.507 -7.465 1.00 10.00 H new ATOM 0 HA ILE A 85 5.495 4.250 -9.099 1.00 10.00 H new ATOM 0 HB ILE A 85 2.615 4.266 -8.604 1.00 10.00 H new ATOM 0 HG12 ILE A 85 4.432 2.668 -7.660 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.896 1.973 -8.137 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.028 2.753 -10.487 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.448 4.402 -11.008 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.622 3.080 -11.207 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.767 0.568 -8.897 1.00 10.00 H new ATOM 0 HD12 ILE A 85 3.884 1.232 -10.293 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.444 1.938 -9.809 1.00 10.00 H new ATOM 1339 N LYS A 86 5.243 5.076 -11.455 1.00 10.00 N ATOM 1340 CA LYS A 86 5.501 5.663 -12.765 1.00 10.00 C ATOM 1341 C LYS A 86 4.345 6.540 -13.245 1.00 10.00 C ATOM 1342 O LYS A 86 4.574 7.687 -13.615 1.00 10.00 O ATOM 1343 CB LYS A 86 5.818 4.576 -13.808 1.00 10.00 C ATOM 1344 CG LYS A 86 6.868 3.568 -13.325 1.00 10.00 C ATOM 1345 CD LYS A 86 7.423 2.743 -14.499 1.00 10.00 C ATOM 1346 CE LYS A 86 8.700 3.336 -15.113 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.828 3.016 -16.551 1.00 10.00 N ATOM 0 H LYS A 86 5.640 4.140 -11.375 1.00 10.00 H new ATOM 0 HA LYS A 86 6.375 6.305 -12.653 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.901 4.044 -14.060 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.172 5.051 -14.723 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.683 4.096 -12.830 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.424 2.901 -12.586 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.631 1.730 -14.155 1.00 10.00 H new ATOM 0 HD3 LYS A 86 6.659 2.666 -15.272 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.696 4.418 -14.982 1.00 10.00 H new ATOM 0 HE3 LYS A 86 9.570 2.954 -14.578 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.704 3.436 -16.923 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.859 1.984 -16.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 8.012 3.403 -17.067 1.00 10.00 H new ATOM 1361 N LYS A 87 3.123 5.991 -13.263 1.00 10.00 N ATOM 1362 CA LYS A 87 1.899 6.698 -13.586 1.00 10.00 C ATOM 1363 C LYS A 87 0.687 5.790 -13.323 1.00 10.00 C ATOM 1364 O LYS A 87 0.827 4.679 -12.811 1.00 10.00 O ATOM 1365 CB LYS A 87 1.939 7.171 -15.044 1.00 10.00 C ATOM 1366 CG LYS A 87 1.703 6.010 -16.012 1.00 10.00 C ATOM 1367 CD LYS A 87 2.586 6.071 -17.261 1.00 10.00 C ATOM 1368 CE LYS A 87 4.036 5.710 -16.906 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.818 5.348 -18.103 1.00 10.00 N ATOM 0 H LYS A 87 2.965 5.007 -13.044 1.00 10.00 H new ATOM 0 HA LYS A 87 1.806 7.578 -12.949 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.180 7.938 -15.201 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.905 7.631 -15.253 1.00 10.00 H new ATOM 0 HG2 LYS A 87 1.887 5.070 -15.492 1.00 10.00 H new ATOM 0 HG3 LYS A 87 0.656 6.007 -16.316 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.207 5.383 -18.017 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.548 7.071 -17.693 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.509 6.555 -16.404 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.042 4.878 -16.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.791 5.111 -17.823 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.381 4.526 -18.568 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 4.834 6.151 -18.763 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.497 6.247 -13.738 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.771 5.568 -13.535 1.00 10.00 C ATOM 1385 C LYS A 88 -1.752 4.151 -14.110 1.00 10.00 C ATOM 1386 O LYS A 88 -2.174 3.206 -13.454 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.927 6.419 -14.090 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.772 6.877 -15.552 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.004 7.690 -15.973 1.00 10.00 C ATOM 1390 CE LYS A 88 -3.819 8.269 -17.386 1.00 10.00 C ATOM 1391 NZ LYS A 88 -4.824 9.309 -17.695 1.00 10.00 N ATOM 0 H LYS A 88 -0.594 7.129 -14.241 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.936 5.455 -12.464 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.850 5.846 -14.003 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -3.039 7.302 -13.461 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -1.871 7.481 -15.660 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -2.655 6.011 -16.204 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.890 7.056 -15.948 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -4.172 8.499 -15.262 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -2.819 8.693 -17.476 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -3.891 7.466 -18.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -4.663 9.672 -18.656 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -5.778 8.899 -17.635 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -4.739 10.088 -17.012 1.00 10.00 H new ATOM 1405 N THR A 89 -1.233 4.013 -15.330 1.00 10.00 N ATOM 1406 CA THR A 89 -1.143 2.768 -16.069 1.00 10.00 C ATOM 1407 C THR A 89 -0.479 1.693 -15.213 1.00 10.00 C ATOM 1408 O THR A 89 -1.023 0.616 -14.979 1.00 10.00 O ATOM 1409 CB THR A 89 -0.306 3.070 -17.320 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.755 4.294 -17.876 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.386 1.942 -18.351 1.00 10.00 C ATOM 0 H THR A 89 -0.849 4.804 -15.847 1.00 10.00 H new ATOM 0 HA THR A 89 -2.129 2.392 -16.343 1.00 10.00 H new ATOM 0 HB THR A 89 0.742 3.151 -17.032 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.229 4.502 -18.676 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.221 2.199 -19.219 1.00 10.00 H new ATOM 0 HG22 THR A 89 -0.014 1.018 -17.909 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.422 1.805 -18.661 1.00 10.00 H new ATOM 1419 N GLU A 90 0.713 2.025 -14.723 1.00 10.00 N ATOM 1420 CA GLU A 90 1.456 1.138 -13.868 1.00 10.00 C ATOM 1421 C GLU A 90 0.702 0.890 -12.573 1.00 10.00 C ATOM 1422 O GLU A 90 0.615 -0.255 -12.158 1.00 10.00 O ATOM 1423 CB GLU A 90 2.829 1.730 -13.583 1.00 10.00 C ATOM 1424 CG GLU A 90 3.852 1.327 -14.665 1.00 10.00 C ATOM 1425 CD GLU A 90 5.131 0.688 -14.124 1.00 10.00 C ATOM 1426 OE1 GLU A 90 5.369 0.757 -12.898 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.912 0.219 -14.980 1.00 10.00 O ATOM 0 H GLU A 90 1.178 2.913 -14.913 1.00 10.00 H new ATOM 0 HA GLU A 90 1.582 0.181 -14.374 1.00 10.00 H new ATOM 0 HB2 GLU A 90 2.756 2.817 -13.536 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.177 1.392 -12.607 1.00 10.00 H new ATOM 0 HG2 GLU A 90 3.376 0.629 -15.354 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.119 2.213 -15.242 1.00 10.00 H new ATOM 1434 N ARG A 91 0.175 1.936 -11.923 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.593 1.747 -10.693 1.00 10.00 C ATOM 1436 C ARG A 91 -1.680 0.687 -10.925 1.00 10.00 C ATOM 1437 O ARG A 91 -1.854 -0.222 -10.119 1.00 10.00 O ATOM 1438 CB ARG A 91 -1.224 3.073 -10.229 1.00 10.00 C ATOM 1439 CG ARG A 91 -0.440 3.666 -9.054 1.00 10.00 C ATOM 1440 CD ARG A 91 -1.018 4.991 -8.553 1.00 10.00 C ATOM 1441 NE ARG A 91 -1.176 5.996 -9.612 1.00 10.00 N ATOM 1442 CZ ARG A 91 -0.191 6.745 -10.135 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.079 6.564 -9.744 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -0.491 7.676 -11.047 1.00 10.00 N ATOM 0 H ARG A 91 0.266 2.906 -12.225 1.00 10.00 H new ATOM 0 HA ARG A 91 0.081 1.406 -9.907 1.00 10.00 H new ATOM 0 HB2 ARG A 91 -1.240 3.782 -11.056 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -2.259 2.904 -9.933 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -0.429 2.948 -8.234 1.00 10.00 H new ATOM 0 HG3 ARG A 91 0.596 3.820 -9.357 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.988 4.804 -8.092 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.367 5.392 -7.776 1.00 10.00 H new ATOM 0 HE ARG A 91 -2.116 6.138 -9.983 1.00 10.00 H new ATOM 0 HH11 ARG A 91 1.301 5.854 -9.046 1.00 10.00 H new ATOM 0 HH12 ARG A 91 1.822 7.136 -10.145 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -1.459 7.811 -11.338 1.00 10.00 H new ATOM 0 HH22 ARG A 91 0.248 8.251 -11.451 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.388 0.796 -12.050 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.482 -0.086 -12.413 1.00 10.00 C ATOM 1460 C GLU A 92 -2.973 -1.526 -12.542 1.00 10.00 C ATOM 1461 O GLU A 92 -3.477 -2.436 -11.876 1.00 10.00 O ATOM 1462 CB GLU A 92 -4.122 0.449 -13.701 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.238 -0.470 -14.209 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.543 0.258 -14.501 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.905 1.138 -13.695 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -7.154 -0.104 -15.529 1.00 10.00 O ATOM 0 H GLU A 92 -2.207 1.519 -12.746 1.00 10.00 H new ATOM 0 HA GLU A 92 -4.250 -0.105 -11.640 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -4.526 1.445 -13.519 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.357 0.551 -14.471 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -4.900 -0.970 -15.117 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.423 -1.247 -13.467 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.954 -1.731 -13.383 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.277 -3.022 -13.502 1.00 10.00 C ATOM 1475 C ASP A 93 -0.907 -3.547 -12.105 1.00 10.00 C ATOM 1476 O ASP A 93 -1.165 -4.696 -11.764 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.037 -2.898 -14.408 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.328 -2.934 -15.908 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.508 -3.138 -16.274 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.650 -2.791 -16.673 1.00 10.00 O ATOM 0 H ASP A 93 -1.578 -1.009 -13.997 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.951 -3.741 -13.967 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.473 -1.964 -14.174 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.653 -3.707 -14.167 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.346 -2.685 -11.261 1.00 10.00 N ATOM 1486 CA LEU A 94 0.047 -3.015 -9.899 1.00 10.00 C ATOM 1487 C LEU A 94 -1.127 -3.582 -9.098 1.00 10.00 C ATOM 1488 O LEU A 94 -1.028 -4.673 -8.527 1.00 10.00 O ATOM 1489 CB LEU A 94 0.642 -1.775 -9.222 1.00 10.00 C ATOM 1490 CG LEU A 94 1.862 -2.118 -8.375 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.413 -0.824 -7.790 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.523 -3.060 -7.242 1.00 10.00 C ATOM 0 H LEU A 94 -0.149 -1.717 -11.513 1.00 10.00 H new ATOM 0 HA LEU A 94 0.808 -3.795 -9.933 1.00 10.00 H new ATOM 0 HB2 LEU A 94 0.922 -1.046 -9.982 1.00 10.00 H new ATOM 0 HB3 LEU A 94 -0.115 -1.306 -8.594 1.00 10.00 H new ATOM 0 HG LEU A 94 2.593 -2.616 -9.012 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.288 -1.045 -7.179 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.696 -0.150 -8.599 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.650 -0.350 -7.173 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.423 -3.276 -6.666 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.780 -2.596 -6.593 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.121 -3.988 -7.648 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.245 -2.847 -9.057 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.454 -3.309 -8.392 1.00 10.00 C ATOM 1506 C ILE A 95 -3.829 -4.698 -8.890 1.00 10.00 C ATOM 1507 O ILE A 95 -4.244 -5.531 -8.092 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.617 -2.310 -8.553 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.571 -1.257 -7.440 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.982 -3.019 -8.472 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.470 -0.209 -7.584 1.00 10.00 C ATOM 0 H ILE A 95 -2.330 -1.924 -9.482 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.250 -3.373 -7.323 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.504 -1.843 -9.531 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.534 -0.747 -7.404 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.444 -1.766 -6.485 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.780 -2.286 -8.589 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -6.053 -3.763 -9.265 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.080 -3.510 -7.504 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.521 0.490 -6.749 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.497 -0.701 -7.586 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.604 0.334 -8.520 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.713 -4.950 -10.193 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.021 -6.265 -10.746 1.00 10.00 C ATOM 1525 C ALA A 96 -3.305 -7.380 -9.989 1.00 10.00 C ATOM 1526 O ALA A 96 -3.933 -8.346 -9.559 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.639 -6.339 -12.214 1.00 10.00 C ATOM 0 H ALA A 96 -3.409 -4.262 -10.882 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.097 -6.405 -10.640 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.878 -7.329 -12.603 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.194 -5.586 -12.773 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.570 -6.156 -12.321 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.987 -7.248 -9.828 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.229 -8.218 -9.059 1.00 10.00 C ATOM 1535 C TYR A 97 -1.762 -8.278 -7.646 1.00 10.00 C ATOM 1536 O TYR A 97 -2.190 -9.338 -7.195 1.00 10.00 O ATOM 1537 CB TYR A 97 0.252 -7.864 -9.045 1.00 10.00 C ATOM 1538 CG TYR A 97 1.077 -8.677 -8.064 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.112 -10.081 -8.161 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.781 -8.032 -7.029 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.842 -10.836 -7.226 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.559 -8.785 -6.135 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.568 -10.186 -6.213 1.00 10.00 C ATOM 1544 OH TYR A 97 3.289 -10.907 -5.310 1.00 10.00 O ATOM 0 H TYR A 97 -1.433 -6.485 -10.218 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.340 -9.195 -9.529 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.657 -8.005 -10.047 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.359 -6.807 -8.803 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.577 -10.579 -8.956 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.723 -6.959 -6.923 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.845 -11.914 -7.286 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.153 -8.284 -5.385 1.00 10.00 H new ATOM 0 HH TYR A 97 3.729 -10.297 -4.681 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.714 -7.137 -6.959 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.137 -7.062 -5.569 1.00 10.00 C ATOM 1556 C LEU A 98 -3.483 -7.758 -5.346 1.00 10.00 C ATOM 1557 O LEU A 98 -3.587 -8.552 -4.419 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.159 -5.619 -5.058 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.951 -5.270 -4.166 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.010 -4.338 -4.902 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.412 -4.593 -2.880 1.00 10.00 C ATOM 0 H LEU A 98 -1.385 -6.253 -7.347 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.394 -7.601 -4.982 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.181 -4.939 -5.910 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.078 -5.454 -4.495 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.433 -6.197 -3.920 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.839 -4.099 -4.262 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.346 -4.823 -5.811 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.537 -3.421 -5.163 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.545 -4.354 -2.264 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -1.948 -3.676 -3.124 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.073 -5.264 -2.332 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.491 -7.505 -6.187 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.793 -8.156 -6.111 1.00 10.00 C ATOM 1575 C LYS A 99 -5.644 -9.657 -5.867 1.00 10.00 C ATOM 1576 O LYS A 99 -6.236 -10.187 -4.929 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.613 -7.936 -7.397 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.534 -6.705 -7.360 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.879 -6.980 -8.068 1.00 10.00 C ATOM 1580 CE LYS A 99 -10.052 -6.788 -7.092 1.00 10.00 C ATOM 1581 NZ LYS A 99 -11.336 -7.260 -7.654 1.00 10.00 N ATOM 0 H LYS A 99 -4.419 -6.831 -6.949 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.322 -7.703 -5.273 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.927 -7.836 -8.238 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.219 -8.823 -7.583 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.719 -6.419 -6.325 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -7.036 -5.862 -7.839 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.993 -6.308 -8.919 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -8.888 -7.997 -8.461 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.844 -7.326 -6.167 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -10.138 -5.732 -6.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -12.095 -7.109 -6.959 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -11.551 -6.729 -8.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -11.266 -8.274 -7.876 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.873 -10.348 -6.710 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.636 -11.757 -6.530 1.00 10.00 C ATOM 1597 C LYS A 100 -3.760 -11.950 -5.292 1.00 10.00 C ATOM 1598 O LYS A 100 -4.146 -12.678 -4.392 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.028 -12.312 -7.819 1.00 10.00 C ATOM 1600 CG LYS A 100 -3.668 -13.797 -7.710 1.00 10.00 C ATOM 1601 CD LYS A 100 -4.581 -14.740 -8.518 1.00 10.00 C ATOM 1602 CE LYS A 100 -5.937 -15.022 -7.848 1.00 10.00 C ATOM 1603 NZ LYS A 100 -5.836 -16.041 -6.783 1.00 10.00 N ATOM 0 H LYS A 100 -4.407 -9.941 -7.521 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.555 -12.315 -6.350 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -4.733 -12.172 -8.638 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.133 -11.742 -8.068 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -2.640 -13.933 -8.045 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.703 -14.090 -6.661 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -4.757 -14.305 -9.502 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -4.062 -15.685 -8.676 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.331 -14.097 -7.426 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.649 -15.357 -8.602 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -6.788 -16.370 -6.526 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -5.272 -16.845 -7.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -5.376 -15.626 -5.948 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.602 -11.296 -5.237 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.559 -11.570 -4.256 1.00 10.00 C ATOM 1619 C ALA A 101 -2.120 -11.537 -2.832 1.00 10.00 C ATOM 1620 O ALA A 101 -1.950 -12.458 -2.039 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.438 -10.543 -4.436 1.00 10.00 C ATOM 0 H ALA A 101 -2.359 -10.547 -5.886 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.161 -12.572 -4.415 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.351 -10.734 -3.709 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.030 -10.623 -5.444 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.836 -9.540 -4.284 1.00 10.00 H new ATOM 1627 N THR A 102 -2.822 -10.449 -2.528 1.00 10.00 N ATOM 1628 CA THR A 102 -3.399 -10.201 -1.223 1.00 10.00 C ATOM 1629 C THR A 102 -4.478 -11.229 -0.894 1.00 10.00 C ATOM 1630 O THR A 102 -4.578 -11.652 0.254 1.00 10.00 O ATOM 1631 CB THR A 102 -3.942 -8.770 -1.187 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.984 -8.592 -2.125 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.800 -7.790 -1.472 1.00 10.00 C ATOM 0 H THR A 102 -3.006 -9.704 -3.200 1.00 10.00 H new ATOM 0 HA THR A 102 -2.631 -10.305 -0.457 1.00 10.00 H new ATOM 0 HB THR A 102 -4.354 -8.578 -0.196 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.607 -8.305 -2.983 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.182 -6.769 -1.447 1.00 10.00 H new ATOM 0 HG22 THR A 102 -2.024 -7.905 -0.715 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.380 -7.997 -2.456 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.284 -11.596 -1.895 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.326 -12.603 -1.782 1.00 10.00 C ATOM 1643 C ASN A 103 -5.681 -13.957 -1.464 1.00 10.00 C ATOM 1644 O ASN A 103 -5.886 -14.476 -0.372 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.149 -12.590 -3.082 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.296 -13.593 -3.120 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.148 -14.756 -2.772 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.459 -13.160 -3.600 1.00 10.00 N ATOM 0 H ASN A 103 -5.223 -11.186 -2.827 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.015 -12.395 -0.964 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.555 -11.589 -3.229 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.482 -12.790 -3.920 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.247 -13.802 -3.683 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.562 -12.186 -3.885 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.891 -14.466 -2.412 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.076 -15.673 -2.416 1.00 10.00 C ATOM 1657 C GLU A 104 -3.474 -15.725 -3.824 1.00 10.00 C ATOM 1658 O GLU A 104 -2.248 -15.910 -3.968 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.911 -16.947 -2.184 1.00 10.00 C ATOM 1660 CG GLU A 104 -4.953 -17.441 -0.729 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.380 -18.903 -0.651 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -6.316 -19.265 -1.398 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -4.753 -19.639 0.142 1.00 10.00 O ATOM 1664 OXT GLU A 104 -4.278 -15.579 -4.771 1.00 10.00 O ATOM 0 H GLU A 104 -4.800 -13.977 -3.303 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.336 -15.640 -1.616 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -5.932 -16.760 -2.518 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -4.512 -17.744 -2.811 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -3.969 -17.323 -0.274 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -5.646 -16.827 -0.154 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.969 4.597 0.184 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.302 3.295 0.147 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.587 2.585 1.035 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.754 3.510 1.660 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.978 4.751 1.126 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.378 5.338 -0.385 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.471 5.678 1.394 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.037 3.282 2.449 1.00 10.00 H new HETATM 0 H2 IMD A 105 5.055 2.871 -0.517 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.615 0.638 1.346 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.165 1.101 3.703 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.260 -0.200 -0.980 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.047 0.576 -1.044 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.024 0.903 3.790 1.00 10.00 C HETATM 1686 NA HEC A 110 1.608 0.534 1.344 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.805 0.782 2.413 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.566 0.668 1.984 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.558 0.300 0.659 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.834 0.187 0.272 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.776 0.102 -0.227 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.769 0.923 2.856 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.029 -0.181 3.892 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.651 0.358 5.183 1.00 10.00 C HETATM 1695 O1A HEC A 110 -2.018 1.275 5.754 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.754 -0.110 5.548 1.00 10.00 O HETATM 1697 NB HEC A 110 3.652 0.265 -0.618 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.584 -0.126 -1.358 1.00 10.00 C HETATM 1699 C2B HEC A 110 3.066 -0.516 -2.664 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.398 -0.166 -2.731 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.762 0.276 -1.406 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.284 -1.333 -3.667 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.351 -0.385 -3.900 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.833 0.147 -5.244 1.00 10.00 C HETATM 1705 NC HEC A 110 5.640 0.723 1.362 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.425 0.689 0.259 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.803 0.783 0.658 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.819 0.713 2.030 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.432 0.786 2.471 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.996 0.870 -0.273 1.00 10.00 C HETATM 1711 CAC HEC A 110 9.063 0.565 2.890 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.944 1.821 2.880 1.00 10.00 C HETATM 1713 ND HEC A 110 3.592 0.980 3.367 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.699 1.036 4.160 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.251 1.333 5.507 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.878 1.403 5.479 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.471 1.136 4.120 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.105 1.597 6.728 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.975 1.729 6.656 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.723 0.527 7.569 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.708 0.821 8.685 1.00 10.00 C HETATM 1722 O1D HEC A 110 0.222 -0.159 9.287 1.00 10.00 O HETATM 1723 O2D HEC A 110 0.442 2.022 8.936 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.731 0.728 6.929 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.738 2.466 6.548 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.462 1.788 7.587 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.029 -0.017 -0.906 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.906 1.758 -0.898 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.912 0.931 0.314 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 2.037 -2.302 -3.233 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.365 -0.807 -3.928 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.885 -1.480 -4.564 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.408 -0.681 0.193 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.340 1.033 -0.283 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.455 -0.188 -1.227 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 1.363 -0.308 6.969 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.666 0.214 8.017 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.267 2.031 1.860 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.374 2.668 3.262 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.818 1.658 3.511 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.898 -0.352 -5.497 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.662 1.221 -5.169 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.571 -0.049 -6.022 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.691 -0.931 3.460 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -1.090 -0.682 4.127 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 2.424 2.533 7.239 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 1.021 2.101 6.282 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.635 1.872 3.376 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.650 1.028 2.222 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.783 0.890 4.572 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.792 0.730 -1.824 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.527 -0.576 -1.694 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.380 1.335 4.422 1.00 10.00 H new HETATM 0 H2D HEC A 110 0.520 2.180 9.900 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.940 0.171 6.468 1.00 10.00 H new