USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 864 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 500 HECFE :(H bumps) USER MOD NoAdj-H: A 500 HEC HAC : A 500 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC HAB : A 500 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 500 HEC H2D : A 500 HEC O2D : A 500 HEC CGD :(short bond) USER MOD Set 1.1: A 46 TYR OH : rot 15:sc= -0.191 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 163:sc= -9.69! (180deg=-11.1!) USER MOD Set 2.1: A 72 LYS NZ :NH3+ -164:sc= -0.556 (180deg=-1.1) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 49 THR OG1 : rot 140:sc= -2.53 USER MOD Set 3.2: A 52 ASN : amide:sc= -3.76! C(o=-6.3!,f=-10!) USER MOD Set 4.1: A 19 THR OG1 : rot 48:sc= 0.0331 USER MOD Set 4.2: A 31 ASN : amide:sc= -3.18 K(o=-3.1,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= -0.246 (180deg=-1.25) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= -2.8! (180deg=-3.11) 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 MET CE :methyl -126:sc= -0.861 (180deg=-2.79!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc=-0.00239 K(o=-0.0024,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc=-0.00242 (180deg=-0.333) USER MOD Single : A 26 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-4.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 33 HIS : no HD1:sc= -8.46! C(o=-8.5!,f=-9.6!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.111 (180deg=-1.4!) USER MOD Single : A 40 THR OG1 : rot 106:sc= 1.06 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.439 F(o=-1.7,f=-0.44) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.838 (180deg=-1.7) USER MOD Single : A 54 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.5) USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= -4.11! (180deg=-5.15!) USER MOD Single : A 63 THR OG1 : rot -158:sc= 0.616 USER MOD Single : A 65 MET CE :methyl -179:sc=-0.00404 (180deg=-0.0126) USER MOD Single : A 67 TYR OH : rot -124:sc= 1.08 USER MOD Single : A 70 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.6!) USER MOD Single : A 74 TYR OH : rot 165:sc= -1.32 USER MOD Single : A 78 THR OG1 : rot -159:sc= -3.9! USER MOD Single : A 80 MET CE :methyl -148:sc= -5.25! (180deg=-8.65!) USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= -0.185 (180deg=-0.974) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.414 (180deg=-1.59!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -118:sc= -1.44 (180deg=-5.97!) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.217) USER MOD Single : A 102 THR OG1 : rot 9:sc= -1.84! USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 500 HEC O2A : rot 11:sc= -1.77 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.124 -0.175 -0.488 1.00 73.12 N ATOM 2 CA GLY A 1 1.476 -0.243 -1.014 1.00 23.12 C ATOM 3 C GLY A 1 1.887 -1.691 -1.286 1.00 15.10 C ATOM 4 O GLY A 1 2.950 -2.131 -0.852 1.00 23.01 O ATOM 0 H1 GLY A 1 -0.424 0.524 -1.029 1.00 73.12 H new ATOM 0 H2 GLY A 1 -0.328 -1.108 -0.570 1.00 73.12 H new ATOM 0 H3 GLY A 1 0.154 0.108 0.512 1.00 73.12 H new ATOM 0 HA2 GLY A 1 1.541 0.336 -1.935 1.00 23.12 H new ATOM 0 HA3 GLY A 1 2.169 0.208 -0.304 1.00 23.12 H new ATOM 8 N ASP A 2 1.023 -2.393 -2.004 1.00 31.34 N ATOM 9 CA ASP A 2 1.283 -3.783 -2.340 1.00 62.51 C ATOM 10 C ASP A 2 1.704 -3.879 -3.807 1.00 14.32 C ATOM 11 O ASP A 2 0.982 -3.426 -4.695 1.00 25.10 O ATOM 12 CB ASP A 2 0.029 -4.638 -2.151 1.00 74.02 C ATOM 13 CG ASP A 2 0.292 -6.118 -1.864 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.108 -6.647 -0.816 1.00 54.32 O ATOM 15 OD2 ASP A 2 0.948 -6.744 -2.783 1.00 63.02 O1- ATOM 0 H ASP A 2 0.142 -2.025 -2.363 1.00 31.34 H new ATOM 0 HA ASP A 2 2.071 -4.147 -1.681 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -0.555 -4.223 -1.330 1.00 74.02 H new ATOM 0 HB3 ASP A 2 -0.584 -4.561 -3.049 1.00 74.02 H new ATOM 21 N VAL A 3 2.870 -4.473 -4.018 1.00 32.11 N ATOM 22 CA VAL A 3 3.395 -4.634 -5.362 1.00 21.23 C ATOM 23 C VAL A 3 2.549 -5.661 -6.116 1.00 32.03 C ATOM 24 O VAL A 3 2.619 -5.750 -7.341 1.00 72.34 O ATOM 25 CB VAL A 3 4.878 -5.007 -5.304 1.00 43.02 C ATOM 26 CG1 VAL A 3 5.067 -6.408 -4.718 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.526 -4.899 -6.686 1.00 25.11 C ATOM 0 H VAL A 3 3.465 -4.848 -3.280 1.00 32.11 H new ATOM 0 HA VAL A 3 3.332 -3.695 -5.911 1.00 21.23 H new ATOM 0 HB VAL A 3 5.377 -4.297 -4.645 1.00 43.02 H new ATOM 0 HG11 VAL A 3 6.130 -6.649 -4.688 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.659 -6.438 -3.708 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.547 -7.136 -5.341 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.580 -5.170 -6.616 1.00 25.11 H new ATOM 0 HG22 VAL A 3 5.023 -5.575 -7.378 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.438 -3.875 -7.050 1.00 25.11 H new ATOM 37 N GLU A 4 1.769 -6.412 -5.354 1.00 73.22 N ATOM 38 CA GLU A 4 0.909 -7.430 -5.933 1.00 63.21 C ATOM 39 C GLU A 4 -0.371 -6.796 -6.479 1.00 2.11 C ATOM 40 O GLU A 4 -0.647 -6.875 -7.675 1.00 24.52 O ATOM 41 CB GLU A 4 0.589 -8.524 -4.913 1.00 11.11 C ATOM 42 CG GLU A 4 0.005 -9.760 -5.600 1.00 4.20 C ATOM 43 CD GLU A 4 1.045 -10.428 -6.503 1.00 44.00 C ATOM 44 OE1 GLU A 4 0.828 -10.541 -7.718 1.00 12.45 O ATOM 45 OE2 GLU A 4 2.109 -10.836 -5.899 1.00 23.24 O1- ATOM 0 H GLU A 4 1.714 -6.336 -4.338 1.00 73.22 H new ATOM 0 HA GLU A 4 1.441 -7.898 -6.762 1.00 63.21 H new ATOM 0 HB2 GLU A 4 1.495 -8.798 -4.372 1.00 11.11 H new ATOM 0 HB3 GLU A 4 -0.119 -8.144 -4.177 1.00 11.11 H new ATOM 0 HG2 GLU A 4 -0.339 -10.470 -4.848 1.00 4.20 H new ATOM 0 HG3 GLU A 4 -0.866 -9.475 -6.191 1.00 4.20 H new ATOM 53 N LYS A 5 -1.121 -6.183 -5.575 1.00 75.34 N ATOM 54 CA LYS A 5 -2.367 -5.535 -5.950 1.00 44.05 C ATOM 55 C LYS A 5 -2.081 -4.458 -6.999 1.00 71.23 C ATOM 56 O LYS A 5 -2.610 -4.511 -8.108 1.00 12.12 O ATOM 57 CB LYS A 5 -3.092 -5.008 -4.711 1.00 52.33 C ATOM 58 CG LYS A 5 -4.026 -6.071 -4.129 1.00 25.44 C ATOM 59 CD LYS A 5 -3.299 -6.938 -3.101 1.00 53.34 C ATOM 60 CE LYS A 5 -3.427 -6.347 -1.696 1.00 54.44 C ATOM 61 NZ LYS A 5 -3.284 -4.875 -1.738 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.890 -6.121 -4.583 1.00 75.34 H new ATOM 0 HA LYS A 5 -3.047 -6.254 -6.407 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.363 -4.708 -3.958 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.665 -4.118 -4.972 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -4.884 -5.589 -3.661 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.412 -6.699 -4.932 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -3.712 -7.947 -3.114 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -2.246 -7.021 -3.370 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -4.395 -6.612 -1.270 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -2.664 -6.774 -1.045 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -3.186 -4.508 -0.770 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -2.439 -4.624 -2.290 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -4.126 -4.457 -2.183 1.00 55.34 H new ATOM 74 N GLY A 6 -1.245 -3.507 -6.611 1.00 50.24 N ATOM 75 CA GLY A 6 -0.882 -2.419 -7.504 1.00 73.13 C ATOM 76 C GLY A 6 -0.439 -2.953 -8.868 1.00 54.42 C ATOM 77 O GLY A 6 -0.473 -2.231 -9.863 1.00 0.33 O ATOM 0 H GLY A 6 -0.808 -3.467 -5.690 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.732 -1.749 -7.631 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.077 -1.833 -7.060 1.00 73.13 H new ATOM 81 N LYS A 7 -0.033 -4.215 -8.870 1.00 72.11 N ATOM 82 CA LYS A 7 0.417 -4.855 -10.094 1.00 33.13 C ATOM 83 C LYS A 7 -0.798 -5.344 -10.885 1.00 72.23 C ATOM 84 O LYS A 7 -1.057 -4.870 -11.989 1.00 11.22 O ATOM 85 CB LYS A 7 1.432 -5.956 -9.781 1.00 21.32 C ATOM 86 CG LYS A 7 1.484 -6.990 -10.908 1.00 61.52 C ATOM 87 CD LYS A 7 2.653 -7.956 -10.712 1.00 32.11 C ATOM 88 CE LYS A 7 2.333 -9.331 -11.304 1.00 14.32 C ATOM 89 NZ LYS A 7 3.041 -10.394 -10.556 1.00 44.20 N1+ ATOM 0 H LYS A 7 -0.007 -4.811 -8.043 1.00 72.11 H new ATOM 0 HA LYS A 7 0.943 -4.140 -10.727 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.419 -5.516 -9.640 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.165 -6.446 -8.845 1.00 21.32 H new ATOM 0 HG2 LYS A 7 0.548 -7.548 -10.938 1.00 61.52 H new ATOM 0 HG3 LYS A 7 1.584 -6.483 -11.868 1.00 61.52 H new ATOM 0 HD2 LYS A 7 3.547 -7.551 -11.186 1.00 32.11 H new ATOM 0 HD3 LYS A 7 2.873 -8.056 -9.649 1.00 32.11 H new ATOM 0 HE2 LYS A 7 1.258 -9.508 -11.269 1.00 14.32 H new ATOM 0 HE3 LYS A 7 2.627 -9.359 -12.353 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 2.813 -11.320 -10.970 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 4.067 -10.233 -10.611 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 2.741 -10.377 -9.560 1.00 44.20 H new ATOM 102 N LYS A 8 -1.511 -6.288 -10.287 1.00 14.31 N ATOM 103 CA LYS A 8 -2.693 -6.848 -10.921 1.00 71.23 C ATOM 104 C LYS A 8 -3.460 -5.733 -11.635 1.00 33.24 C ATOM 105 O LYS A 8 -4.097 -5.971 -12.659 1.00 33.30 O ATOM 106 CB LYS A 8 -3.533 -7.619 -9.901 1.00 4.10 C ATOM 107 CG LYS A 8 -2.891 -8.966 -9.567 1.00 33.13 C ATOM 108 CD LYS A 8 -3.801 -9.798 -8.660 1.00 22.11 C ATOM 109 CE LYS A 8 -3.945 -9.145 -7.283 1.00 14.34 C ATOM 110 NZ LYS A 8 -4.369 -10.146 -6.278 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.293 -6.679 -9.371 1.00 14.31 H new ATOM 0 HA LYS A 8 -2.410 -7.576 -11.681 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -3.640 -7.028 -8.992 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -4.536 -7.779 -10.297 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -2.689 -9.515 -10.487 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -1.932 -8.804 -9.075 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -4.783 -9.903 -9.121 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -3.391 -10.802 -8.550 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -2.996 -8.700 -6.984 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -4.675 -8.337 -7.331 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -4.462 -9.687 -5.349 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -5.285 -10.552 -6.557 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -3.658 -10.903 -6.221 1.00 11.43 H new ATOM 123 N ILE A 9 -3.372 -4.540 -11.065 1.00 15.44 N ATOM 124 CA ILE A 9 -4.050 -3.388 -11.633 1.00 60.11 C ATOM 125 C ILE A 9 -3.426 -3.052 -12.989 1.00 15.22 C ATOM 126 O ILE A 9 -4.068 -3.204 -14.028 1.00 74.43 O ATOM 127 CB ILE A 9 -4.042 -2.220 -10.646 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.631 -2.637 -9.297 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.756 -1.000 -11.232 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.090 -1.759 -8.167 1.00 25.42 C ATOM 0 H ILE A 9 -2.841 -4.347 -10.216 1.00 15.44 H new ATOM 0 HA ILE A 9 -5.101 -3.615 -11.812 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.006 -1.931 -10.469 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.718 -2.562 -9.332 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.390 -3.681 -9.098 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -4.735 -0.184 -10.509 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.251 -0.687 -12.146 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.791 -1.258 -11.459 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.525 -2.077 -7.219 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.005 -1.855 -8.119 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.354 -0.719 -8.356 1.00 25.42 H new ATOM 142 N PHE A 10 -2.182 -2.600 -12.936 1.00 13.32 N ATOM 143 CA PHE A 10 -1.463 -2.241 -14.147 1.00 72.43 C ATOM 144 C PHE A 10 -1.371 -3.432 -15.104 1.00 75.11 C ATOM 145 O PHE A 10 -1.080 -3.262 -16.287 1.00 2.34 O ATOM 146 CB PHE A 10 -0.051 -1.832 -13.724 1.00 70.22 C ATOM 147 CG PHE A 10 0.546 -0.700 -14.564 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.119 -0.974 -15.766 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.504 0.580 -14.107 1.00 42.21 C ATOM 150 CE1 PHE A 10 1.672 0.076 -16.545 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.059 1.630 -14.885 1.00 53.34 C ATOM 152 CZ PHE A 10 1.630 1.356 -16.088 1.00 42.41 C ATOM 0 H PHE A 10 -1.653 -2.474 -12.073 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.983 -1.434 -14.663 1.00 72.43 H new ATOM 0 HB2 PHE A 10 -0.071 -1.524 -12.679 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.603 -2.702 -13.788 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.153 -1.991 -16.128 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.049 0.798 -13.152 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.126 -0.142 -17.500 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.028 2.646 -14.521 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.050 2.155 -16.681 1.00 42.41 H new ATOM 162 N ILE A 11 -1.627 -4.611 -14.556 1.00 62.12 N ATOM 163 CA ILE A 11 -1.576 -5.830 -15.345 1.00 45.21 C ATOM 164 C ILE A 11 -2.691 -5.800 -16.393 1.00 24.11 C ATOM 165 O ILE A 11 -2.470 -6.150 -17.550 1.00 4.32 O ATOM 166 CB ILE A 11 -1.619 -7.060 -14.436 1.00 64.23 C ATOM 167 CG1 ILE A 11 -0.353 -7.155 -13.583 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.860 -8.333 -15.249 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.717 -7.996 -14.281 1.00 43.25 C ATOM 0 H ILE A 11 -1.870 -4.748 -13.575 1.00 62.12 H new ATOM 0 HA ILE A 11 -0.631 -5.895 -15.885 1.00 45.21 H new ATOM 0 HB ILE A 11 -2.460 -6.951 -13.752 1.00 64.23 H new ATOM 0 HG12 ILE A 11 0.035 -6.155 -13.389 1.00 24.22 H new ATOM 0 HG13 ILE A 11 -0.594 -7.597 -12.616 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -1.886 -9.193 -14.580 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.811 -8.254 -15.775 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -1.055 -8.461 -15.972 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.606 -8.047 -13.653 1.00 43.25 H new ATOM 0 HD12 ILE A 11 0.335 -9.002 -14.452 1.00 43.25 H new ATOM 0 HD13 ILE A 11 0.973 -7.538 -15.236 1.00 43.25 H new ATOM 181 N MET A 12 -3.866 -5.379 -15.948 1.00 20.04 N ATOM 182 CA MET A 12 -5.017 -5.298 -16.832 1.00 73.11 C ATOM 183 C MET A 12 -5.742 -3.962 -16.669 1.00 2.53 C ATOM 184 O MET A 12 -6.970 -3.910 -16.699 1.00 61.15 O ATOM 185 CB MET A 12 -5.982 -6.444 -16.519 1.00 10.44 C ATOM 186 CG MET A 12 -5.537 -7.738 -17.204 1.00 20.33 C ATOM 187 SD MET A 12 -6.261 -9.146 -16.380 1.00 23.32 S ATOM 188 CE MET A 12 -5.534 -8.965 -14.761 1.00 74.43 C ATOM 0 H MET A 12 -4.046 -5.090 -14.986 1.00 20.04 H new ATOM 0 HA MET A 12 -4.667 -5.376 -17.861 1.00 73.11 H new ATOM 0 HB2 MET A 12 -6.032 -6.598 -15.441 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.986 -6.180 -16.851 1.00 10.44 H new ATOM 0 HG2 MET A 12 -5.837 -7.726 -18.252 1.00 20.33 H new ATOM 0 HG3 MET A 12 -4.450 -7.814 -17.184 1.00 20.33 H new ATOM 0 HE1 MET A 12 -5.034 -9.892 -14.481 1.00 74.43 H new ATOM 0 HE2 MET A 12 -4.808 -8.152 -14.777 1.00 74.43 H new ATOM 0 HE3 MET A 12 -6.315 -8.740 -14.035 1.00 74.43 H new ATOM 198 N LYS A 13 -4.950 -2.912 -16.499 1.00 3.23 N ATOM 199 CA LYS A 13 -5.502 -1.579 -16.331 1.00 42.12 C ATOM 200 C LYS A 13 -4.829 -0.624 -17.320 1.00 34.24 C ATOM 201 O LYS A 13 -5.484 -0.082 -18.208 1.00 23.10 O ATOM 202 CB LYS A 13 -5.387 -1.132 -14.872 1.00 13.54 C ATOM 203 CG LYS A 13 -6.099 0.205 -14.651 1.00 61.54 C ATOM 204 CD LYS A 13 -7.526 -0.011 -14.144 1.00 54.44 C ATOM 205 CE LYS A 13 -8.416 -0.592 -15.244 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.806 -0.104 -15.099 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.931 -2.958 -16.474 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.568 -1.577 -16.559 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.820 -1.891 -14.220 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -4.336 -1.038 -14.598 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.540 0.804 -13.932 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -6.122 0.767 -15.584 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.513 -0.685 -13.287 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.940 0.936 -13.798 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -8.026 -0.310 -16.222 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -8.400 -1.681 -15.196 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -10.396 -0.508 -15.854 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -10.181 -0.394 -14.173 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.819 0.934 -15.168 1.00 20.13 H new ATOM 219 N CYS A 14 -3.529 -0.450 -17.133 1.00 0.42 N ATOM 220 CA CYS A 14 -2.760 0.428 -17.999 1.00 73.31 C ATOM 221 C CYS A 14 -2.026 -0.433 -19.028 1.00 61.22 C ATOM 222 O CYS A 14 -1.871 -0.032 -20.180 1.00 3.21 O ATOM 223 CB CYS A 14 -1.797 1.308 -17.199 1.00 23.12 C ATOM 224 SG CYS A 14 -2.350 1.705 -15.500 1.00 24.50 S ATOM 0 H CYS A 14 -2.989 -0.902 -16.395 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.432 1.114 -18.515 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.831 0.807 -17.144 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.642 2.240 -17.743 1.00 23.12 H new ATOM 229 N SER A 15 -1.593 -1.601 -18.575 1.00 53.01 N ATOM 230 CA SER A 15 -0.880 -2.522 -19.443 1.00 44.23 C ATOM 231 C SER A 15 -1.611 -2.654 -20.781 1.00 0.15 C ATOM 232 O SER A 15 -0.993 -2.944 -21.804 1.00 13.43 O ATOM 233 CB SER A 15 -0.727 -3.894 -18.783 1.00 10.33 C ATOM 234 OG SER A 15 -0.472 -4.921 -19.738 1.00 53.25 O ATOM 0 H SER A 15 -1.722 -1.930 -17.618 1.00 53.01 H new ATOM 0 HA SER A 15 0.118 -2.121 -19.621 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.089 -3.860 -18.061 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.634 -4.132 -18.228 1.00 10.33 H new ATOM 0 HG SER A 15 -0.379 -5.781 -19.277 1.00 53.25 H new ATOM 240 N GLN A 16 -2.917 -2.434 -20.729 1.00 52.31 N ATOM 241 CA GLN A 16 -3.739 -2.525 -21.924 1.00 24.53 C ATOM 242 C GLN A 16 -3.067 -1.793 -23.087 1.00 24.04 C ATOM 243 O GLN A 16 -3.056 -2.287 -24.213 1.00 52.22 O ATOM 244 CB GLN A 16 -5.143 -1.975 -21.667 1.00 34.30 C ATOM 245 CG GLN A 16 -5.993 -2.026 -22.938 1.00 64.14 C ATOM 246 CD GLN A 16 -7.456 -1.701 -22.631 1.00 25.22 C ATOM 247 OE1 GLN A 16 -7.905 -1.747 -21.498 1.00 33.12 O ATOM 248 NE2 GLN A 16 -8.172 -1.370 -23.702 1.00 5.30 N ATOM 0 H GLN A 16 -3.426 -2.193 -19.878 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.841 -3.577 -22.193 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -5.625 -2.553 -20.879 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -5.075 -0.947 -21.312 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -5.604 -1.316 -23.669 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.923 -3.017 -23.387 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -7.733 -1.351 -24.623 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -9.160 -1.135 -23.603 1.00 5.30 H new ATOM 257 N CYS A 17 -2.525 -0.624 -22.774 1.00 3.32 N ATOM 258 CA CYS A 17 -1.852 0.181 -23.779 1.00 24.21 C ATOM 259 C CYS A 17 -0.399 0.380 -23.344 1.00 61.52 C ATOM 260 O CYS A 17 0.525 0.032 -24.077 1.00 14.11 O ATOM 261 CB CYS A 17 -2.569 1.515 -24.006 1.00 30.04 C ATOM 262 SG CYS A 17 -4.354 1.505 -23.608 1.00 4.14 S ATOM 0 H CYS A 17 -2.539 -0.216 -21.839 1.00 3.32 H new ATOM 0 HA CYS A 17 -1.873 -0.337 -24.738 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -2.081 2.281 -23.403 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -2.446 1.805 -25.050 1.00 30.04 H new ATOM 267 N HIS A 18 -0.243 0.939 -22.153 1.00 62.50 N ATOM 268 CA HIS A 18 1.082 1.188 -21.611 1.00 4.04 C ATOM 269 C HIS A 18 1.880 -0.118 -21.586 1.00 22.22 C ATOM 270 O HIS A 18 1.338 -1.186 -21.865 1.00 62.34 O ATOM 271 CB HIS A 18 0.990 1.853 -20.237 1.00 40.31 C ATOM 272 CG HIS A 18 0.526 3.290 -20.279 1.00 54.33 C ATOM 273 ND1 HIS A 18 1.326 4.322 -20.736 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.663 3.853 -19.918 1.00 25.02 C ATOM 275 CE1 HIS A 18 0.640 5.453 -20.649 1.00 64.43 C ATOM 276 NE2 HIS A 18 -0.591 5.160 -20.141 1.00 53.31 N ATOM 0 H HIS A 18 -1.012 1.227 -21.548 1.00 62.50 H new ATOM 0 HA HIS A 18 1.617 1.887 -22.254 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.305 1.279 -19.612 1.00 40.31 H new ATOM 0 HB3 HIS A 18 1.969 1.812 -19.759 1.00 40.31 H new ATOM 0 HD1 HIS A 18 2.281 4.229 -21.081 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -1.517 3.326 -19.519 1.00 25.02 H new ATOM 0 HE1 HIS A 18 0.994 6.434 -20.931 1.00 64.43 H new ATOM 284 N THR A 19 3.154 0.012 -21.249 1.00 13.43 N ATOM 285 CA THR A 19 4.032 -1.144 -21.184 1.00 60.21 C ATOM 286 C THR A 19 5.256 -0.837 -20.318 1.00 32.10 C ATOM 287 O THR A 19 6.115 -0.049 -20.711 1.00 32.41 O ATOM 288 CB THR A 19 4.387 -1.550 -22.616 1.00 74.25 C ATOM 289 OG1 THR A 19 4.562 -0.309 -23.295 1.00 32.15 O ATOM 290 CG2 THR A 19 3.215 -2.211 -23.345 1.00 61.22 C ATOM 0 H THR A 19 3.600 0.900 -21.018 1.00 13.43 H new ATOM 0 HA THR A 19 3.538 -1.989 -20.705 1.00 60.21 H new ATOM 0 HB THR A 19 5.236 -2.233 -22.600 1.00 74.25 H new ATOM 0 HG1 THR A 19 5.138 0.278 -22.761 1.00 32.15 H new ATOM 0 HG21 THR A 19 3.520 -2.479 -24.356 1.00 61.22 H new ATOM 0 HG22 THR A 19 2.912 -3.109 -22.807 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.377 -1.516 -23.392 1.00 61.22 H new ATOM 298 N VAL A 20 5.295 -1.475 -19.158 1.00 73.30 N ATOM 299 CA VAL A 20 6.399 -1.279 -18.234 1.00 62.41 C ATOM 300 C VAL A 20 7.551 -2.209 -18.617 1.00 42.31 C ATOM 301 O VAL A 20 8.053 -2.959 -17.781 1.00 23.32 O ATOM 302 CB VAL A 20 5.920 -1.481 -16.795 1.00 73.02 C ATOM 303 CG1 VAL A 20 4.586 -0.770 -16.555 1.00 11.15 C ATOM 304 CG2 VAL A 20 5.815 -2.971 -16.457 1.00 54.03 C ATOM 0 H VAL A 20 4.580 -2.128 -18.837 1.00 73.30 H new ATOM 0 HA VAL A 20 6.772 -0.257 -18.297 1.00 62.41 H new ATOM 0 HB VAL A 20 6.661 -1.037 -16.130 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.269 -0.930 -15.525 1.00 11.15 H new ATOM 0 HG12 VAL A 20 4.705 0.298 -16.736 1.00 11.15 H new ATOM 0 HG13 VAL A 20 3.833 -1.171 -17.233 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.473 -3.088 -15.429 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.105 -3.448 -17.132 1.00 54.03 H new ATOM 0 HG23 VAL A 20 6.793 -3.439 -16.569 1.00 54.03 H new ATOM 314 N GLU A 21 7.935 -2.133 -19.883 1.00 2.20 N ATOM 315 CA GLU A 21 9.019 -2.959 -20.387 1.00 22.52 C ATOM 316 C GLU A 21 9.995 -2.113 -21.207 1.00 34.35 C ATOM 317 O GLU A 21 9.613 -1.519 -22.214 1.00 52.54 O ATOM 318 CB GLU A 21 8.477 -4.127 -21.214 1.00 61.35 C ATOM 319 CG GLU A 21 7.321 -3.675 -22.109 1.00 1.24 C ATOM 320 CD GLU A 21 6.993 -4.738 -23.160 1.00 73.45 C ATOM 321 OE1 GLU A 21 7.749 -4.905 -24.130 1.00 31.11 O ATOM 322 OE2 GLU A 21 5.911 -5.405 -22.943 1.00 44.15 O1- ATOM 0 H GLU A 21 7.515 -1.512 -20.575 1.00 2.20 H new ATOM 0 HA GLU A 21 9.558 -3.377 -19.537 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.275 -4.544 -21.828 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.138 -4.922 -20.549 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.440 -3.478 -21.499 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.583 -2.739 -22.603 1.00 1.24 H new ATOM 330 N LYS A 22 11.236 -2.084 -20.743 1.00 34.22 N ATOM 331 CA LYS A 22 12.270 -1.320 -21.421 1.00 44.40 C ATOM 332 C LYS A 22 12.113 -1.486 -22.934 1.00 4.32 C ATOM 333 O LYS A 22 11.520 -2.460 -23.396 1.00 2.32 O ATOM 334 CB LYS A 22 13.654 -1.714 -20.900 1.00 74.13 C ATOM 335 CG LYS A 22 14.670 -0.597 -21.148 1.00 50.22 C ATOM 336 CD LYS A 22 16.048 -0.978 -20.602 1.00 63.22 C ATOM 337 CE LYS A 22 16.713 -2.037 -21.483 1.00 63.42 C ATOM 338 NZ LYS A 22 17.384 -1.402 -22.640 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.549 -2.577 -19.906 1.00 34.22 H new ATOM 0 HA LYS A 22 12.162 -0.257 -21.204 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.597 -1.929 -19.833 1.00 74.13 H new ATOM 0 HB3 LYS A 22 13.985 -2.628 -21.392 1.00 74.13 H new ATOM 0 HG2 LYS A 22 14.741 -0.396 -22.217 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.328 0.323 -20.673 1.00 50.22 H new ATOM 0 HD2 LYS A 22 16.681 -0.092 -20.552 1.00 63.22 H new ATOM 0 HD3 LYS A 22 15.948 -1.357 -19.585 1.00 63.22 H new ATOM 0 HE2 LYS A 22 17.440 -2.601 -20.898 1.00 63.42 H new ATOM 0 HE3 LYS A 22 15.965 -2.748 -21.834 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 17.830 -2.135 -23.228 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 16.683 -0.884 -23.206 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 18.111 -0.741 -22.300 1.00 43.00 H new ATOM 351 N GLY A 23 12.653 -0.521 -23.662 1.00 52.14 N ATOM 352 CA GLY A 23 12.580 -0.548 -25.113 1.00 30.32 C ATOM 353 C GLY A 23 11.155 -0.840 -25.585 1.00 2.14 C ATOM 354 O GLY A 23 10.957 -1.449 -26.635 1.00 23.14 O ATOM 0 H GLY A 23 13.143 0.285 -23.275 1.00 52.14 H new ATOM 0 HA2 GLY A 23 12.911 0.410 -25.515 1.00 30.32 H new ATOM 0 HA3 GLY A 23 13.258 -1.308 -25.501 1.00 30.32 H new ATOM 358 N GLY A 24 10.197 -0.392 -24.785 1.00 32.53 N ATOM 359 CA GLY A 24 8.796 -0.599 -25.108 1.00 33.34 C ATOM 360 C GLY A 24 8.465 -0.044 -26.495 1.00 72.53 C ATOM 361 O GLY A 24 9.363 0.309 -27.257 1.00 13.20 O ATOM 0 H GLY A 24 10.364 0.113 -23.915 1.00 32.53 H new ATOM 0 HA2 GLY A 24 8.565 -1.664 -25.074 1.00 33.34 H new ATOM 0 HA3 GLY A 24 8.171 -0.113 -24.359 1.00 33.34 H new ATOM 365 N LYS A 25 7.173 0.017 -26.780 1.00 11.42 N ATOM 366 CA LYS A 25 6.712 0.523 -28.063 1.00 2.02 C ATOM 367 C LYS A 25 5.948 1.831 -27.844 1.00 31.52 C ATOM 368 O LYS A 25 5.841 2.311 -26.717 1.00 72.44 O ATOM 369 CB LYS A 25 5.904 -0.545 -28.801 1.00 24.30 C ATOM 370 CG LYS A 25 6.662 -1.873 -28.845 1.00 22.43 C ATOM 371 CD LYS A 25 7.463 -2.006 -30.141 1.00 53.42 C ATOM 372 CE LYS A 25 7.870 -3.460 -30.389 1.00 11.53 C ATOM 373 NZ LYS A 25 8.467 -4.046 -29.168 1.00 63.31 N1+ ATOM 0 H LYS A 25 6.430 -0.275 -26.145 1.00 11.42 H new ATOM 0 HA LYS A 25 7.559 0.752 -28.710 1.00 2.02 H new ATOM 0 HB2 LYS A 25 4.944 -0.687 -28.305 1.00 24.30 H new ATOM 0 HB3 LYS A 25 5.692 -0.209 -29.816 1.00 24.30 H new ATOM 0 HG2 LYS A 25 7.334 -1.940 -27.990 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.957 -2.701 -28.763 1.00 22.43 H new ATOM 0 HD2 LYS A 25 6.868 -1.644 -30.979 1.00 53.42 H new ATOM 0 HD3 LYS A 25 8.353 -1.380 -30.088 1.00 53.42 H new ATOM 0 HE2 LYS A 25 6.999 -4.042 -30.690 1.00 11.53 H new ATOM 0 HE3 LYS A 25 8.585 -3.509 -31.210 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 8.977 -4.918 -29.415 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 9.129 -3.365 -28.744 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 7.714 -4.267 -28.485 1.00 63.31 H new ATOM 386 N HIS A 26 5.438 2.370 -28.941 1.00 25.51 N ATOM 387 CA HIS A 26 4.686 3.613 -28.885 1.00 74.44 C ATOM 388 C HIS A 26 3.244 3.362 -29.329 1.00 45.22 C ATOM 389 O HIS A 26 2.674 4.153 -30.078 1.00 2.22 O ATOM 390 CB HIS A 26 5.378 4.703 -29.706 1.00 11.11 C ATOM 391 CG HIS A 26 6.499 5.403 -28.976 1.00 12.42 C ATOM 392 ND1 HIS A 26 6.909 5.039 -27.705 1.00 62.23 N ATOM 393 CD2 HIS A 26 7.292 6.447 -29.352 1.00 45.21 C ATOM 394 CE1 HIS A 26 7.903 5.836 -27.341 1.00 75.04 C ATOM 395 NE2 HIS A 26 8.138 6.709 -28.363 1.00 43.14 N ATOM 0 H HIS A 26 5.530 1.969 -29.874 1.00 25.51 H new ATOM 0 HA HIS A 26 4.654 3.977 -27.858 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.774 4.259 -30.619 1.00 11.11 H new ATOM 0 HB3 HIS A 26 4.636 5.443 -30.007 1.00 11.11 H new ATOM 0 HD1 HIS A 26 6.513 4.285 -27.144 1.00 62.23 H new ATOM 0 HD2 HIS A 26 7.240 6.972 -30.295 1.00 45.21 H new ATOM 0 HE1 HIS A 26 8.434 5.801 -26.401 1.00 75.04 H new ATOM 403 N LYS A 27 2.694 2.257 -28.847 1.00 44.03 N ATOM 404 CA LYS A 27 1.329 1.891 -29.185 1.00 53.42 C ATOM 405 C LYS A 27 0.379 2.996 -28.718 1.00 34.44 C ATOM 406 O LYS A 27 0.813 4.109 -28.423 1.00 33.44 O ATOM 407 CB LYS A 27 0.990 0.510 -28.621 1.00 74.10 C ATOM 408 CG LYS A 27 1.983 -0.544 -29.113 1.00 42.43 C ATOM 409 CD LYS A 27 1.712 -0.914 -30.573 1.00 54.03 C ATOM 410 CE LYS A 27 0.236 -1.258 -30.785 1.00 14.52 C ATOM 411 NZ LYS A 27 0.083 -2.222 -31.898 1.00 5.14 N1+ ATOM 0 H LYS A 27 3.169 1.603 -28.225 1.00 44.03 H new ATOM 0 HA LYS A 27 1.213 1.806 -30.266 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.002 0.545 -27.532 1.00 74.10 H new ATOM 0 HB3 LYS A 27 -0.020 0.230 -28.919 1.00 74.10 H new ATOM 0 HG2 LYS A 27 3.000 -0.165 -29.013 1.00 42.43 H new ATOM 0 HG3 LYS A 27 1.912 -1.435 -28.489 1.00 42.43 H new ATOM 0 HD2 LYS A 27 1.992 -0.083 -31.221 1.00 54.03 H new ATOM 0 HD3 LYS A 27 2.332 -1.764 -30.858 1.00 54.03 H new ATOM 0 HE2 LYS A 27 -0.180 -1.680 -29.870 1.00 14.52 H new ATOM 0 HE3 LYS A 27 -0.327 -0.351 -31.002 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 -0.924 -2.445 -32.028 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 0.462 -1.805 -32.773 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 0.604 -3.094 -31.676 1.00 5.14 H new ATOM 424 N THR A 28 -0.898 2.651 -28.665 1.00 74.51 N ATOM 425 CA THR A 28 -1.914 3.600 -28.239 1.00 2.42 C ATOM 426 C THR A 28 -1.387 4.466 -27.094 1.00 41.14 C ATOM 427 O THR A 28 -1.786 5.620 -26.948 1.00 32.05 O ATOM 428 CB THR A 28 -3.174 2.813 -27.877 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.496 2.104 -29.070 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.384 3.720 -27.646 1.00 32.01 C ATOM 0 H THR A 28 -1.254 1.727 -28.910 1.00 74.51 H new ATOM 0 HA THR A 28 -2.168 4.295 -29.040 1.00 2.42 H new ATOM 0 HB THR A 28 -2.987 2.221 -26.981 1.00 52.12 H new ATOM 0 HG1 THR A 28 -4.301 1.565 -28.923 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.252 3.111 -27.392 1.00 32.01 H new ATOM 0 HG22 THR A 28 -4.172 4.408 -26.828 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.592 4.287 -28.553 1.00 32.01 H new ATOM 438 N GLY A 29 -0.498 3.875 -26.309 1.00 64.54 N ATOM 439 CA GLY A 29 0.088 4.577 -25.179 1.00 55.30 C ATOM 440 C GLY A 29 1.616 4.493 -25.214 1.00 1.42 C ATOM 441 O GLY A 29 2.177 3.583 -25.822 1.00 41.14 O ATOM 0 H GLY A 29 -0.169 2.918 -26.433 1.00 64.54 H new ATOM 0 HA2 GLY A 29 -0.223 5.622 -25.194 1.00 55.30 H new ATOM 0 HA3 GLY A 29 -0.282 4.148 -24.248 1.00 55.30 H new ATOM 445 N PRO A 30 2.262 5.478 -24.534 1.00 74.54 N ATOM 446 CA PRO A 30 3.713 5.523 -24.480 1.00 74.11 C ATOM 447 C PRO A 30 4.260 4.459 -23.527 1.00 24.32 C ATOM 448 O PRO A 30 3.500 3.827 -22.796 1.00 24.23 O ATOM 449 CB PRO A 30 4.046 6.941 -24.045 1.00 41.30 C ATOM 450 CG PRO A 30 2.775 7.495 -23.424 1.00 54.01 C ATOM 451 CD PRO A 30 1.629 6.571 -23.801 1.00 12.13 C ATOM 0 HA PRO A 30 4.178 5.296 -25.440 1.00 74.11 H new ATOM 0 HB2 PRO A 30 4.866 6.947 -23.327 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.362 7.546 -24.895 1.00 41.30 H new ATOM 0 HG2 PRO A 30 2.875 7.556 -22.340 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.584 8.506 -23.784 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.107 6.205 -22.917 1.00 12.13 H new ATOM 0 HD3 PRO A 30 0.891 7.086 -24.416 1.00 12.13 H new ATOM 459 N ASN A 31 5.574 4.297 -23.565 1.00 21.33 N ATOM 460 CA ASN A 31 6.232 3.321 -22.713 1.00 33.24 C ATOM 461 C ASN A 31 6.422 3.916 -21.316 1.00 11.33 C ATOM 462 O ASN A 31 6.627 5.120 -21.173 1.00 70.42 O ATOM 463 CB ASN A 31 7.611 2.952 -23.261 1.00 44.34 C ATOM 464 CG ASN A 31 8.397 2.113 -22.251 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.303 2.585 -21.584 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.001 0.846 -22.176 1.00 71.13 N ATOM 0 H ASN A 31 6.201 4.825 -24.172 1.00 21.33 H new ATOM 0 HA ASN A 31 5.607 2.428 -22.678 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.499 2.396 -24.192 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.167 3.859 -23.496 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.463 0.205 -21.531 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.235 0.515 -22.763 1.00 71.13 H new ATOM 473 N LEU A 32 6.347 3.044 -20.321 1.00 25.52 N ATOM 474 CA LEU A 32 6.509 3.468 -18.941 1.00 3.12 C ATOM 475 C LEU A 32 7.554 2.583 -18.259 1.00 43.31 C ATOM 476 O LEU A 32 7.211 1.717 -17.455 1.00 21.41 O ATOM 477 CB LEU A 32 5.156 3.485 -18.224 1.00 53.22 C ATOM 478 CG LEU A 32 4.093 4.411 -18.821 1.00 2.33 C ATOM 479 CD1 LEU A 32 2.743 4.213 -18.129 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.551 5.870 -18.779 1.00 64.04 C ATOM 0 H LEU A 32 6.176 2.046 -20.443 1.00 25.52 H new ATOM 0 HA LEU A 32 6.881 4.492 -18.898 1.00 3.12 H new ATOM 0 HB2 LEU A 32 4.760 2.469 -18.213 1.00 53.22 H new ATOM 0 HB3 LEU A 32 5.321 3.775 -17.186 1.00 53.22 H new ATOM 0 HG LEU A 32 3.959 4.146 -19.870 1.00 2.33 H new ATOM 0 HD11 LEU A 32 2.006 4.883 -18.572 1.00 33.31 H new ATOM 0 HD12 LEU A 32 2.418 3.180 -18.255 1.00 33.31 H new ATOM 0 HD13 LEU A 32 2.843 4.435 -17.066 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.778 6.507 -19.209 1.00 64.04 H new ATOM 0 HD22 LEU A 32 4.731 6.165 -17.745 1.00 64.04 H new ATOM 0 HD23 LEU A 32 5.471 5.979 -19.353 1.00 64.04 H new ATOM 492 N HIS A 33 8.809 2.831 -18.604 1.00 23.30 N ATOM 493 CA HIS A 33 9.906 2.067 -18.036 1.00 74.15 C ATOM 494 C HIS A 33 10.971 3.025 -17.495 1.00 20.01 C ATOM 495 O HIS A 33 12.166 2.746 -17.587 1.00 41.10 O ATOM 496 CB HIS A 33 10.464 1.075 -19.058 1.00 31.34 C ATOM 497 CG HIS A 33 11.668 0.303 -18.570 1.00 51.32 C ATOM 498 ND1 HIS A 33 12.968 0.704 -18.822 1.00 11.24 N ATOM 499 CD2 HIS A 33 11.754 -0.847 -17.843 1.00 72.42 C ATOM 500 CE1 HIS A 33 13.792 -0.174 -18.268 1.00 33.45 C ATOM 501 NE2 HIS A 33 13.037 -1.135 -17.663 1.00 33.01 N ATOM 0 H HIS A 33 9.090 3.551 -19.270 1.00 23.30 H new ATOM 0 HA HIS A 33 9.544 1.470 -17.199 1.00 74.15 H new ATOM 0 HB2 HIS A 33 9.679 0.370 -19.331 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.735 1.616 -19.964 1.00 31.34 H new ATOM 0 HD2 HIS A 33 10.919 -1.426 -17.476 1.00 72.42 H new ATOM 0 HE1 HIS A 33 14.871 -0.135 -18.292 1.00 33.45 H new ATOM 0 HE2 HIS A 33 13.399 -1.942 -17.156 1.00 33.01 H new ATOM 509 N GLY A 34 10.499 4.133 -16.944 1.00 13.14 N ATOM 510 CA GLY A 34 11.395 5.132 -16.389 1.00 20.04 C ATOM 511 C GLY A 34 10.884 6.546 -16.674 1.00 32.42 C ATOM 512 O GLY A 34 11.619 7.382 -17.198 1.00 44.34 O ATOM 0 H GLY A 34 9.508 4.361 -16.870 1.00 13.14 H new ATOM 0 HA2 GLY A 34 11.488 4.985 -15.313 1.00 20.04 H new ATOM 0 HA3 GLY A 34 12.391 5.009 -16.814 1.00 20.04 H new ATOM 516 N LEU A 35 9.628 6.769 -16.316 1.00 32.24 N ATOM 517 CA LEU A 35 9.010 8.068 -16.526 1.00 31.25 C ATOM 518 C LEU A 35 9.300 8.967 -15.323 1.00 52.04 C ATOM 519 O LEU A 35 9.895 10.034 -15.469 1.00 22.11 O ATOM 520 CB LEU A 35 7.519 7.908 -16.829 1.00 41.23 C ATOM 521 CG LEU A 35 6.699 9.199 -16.859 1.00 31.03 C ATOM 522 CD1 LEU A 35 7.014 10.021 -18.111 1.00 5.42 C ATOM 523 CD2 LEU A 35 5.203 8.902 -16.732 1.00 1.05 C ATOM 0 H LEU A 35 9.022 6.073 -15.882 1.00 32.24 H new ATOM 0 HA LEU A 35 9.439 8.557 -17.400 1.00 31.25 H new ATOM 0 HB2 LEU A 35 7.416 7.413 -17.795 1.00 41.23 H new ATOM 0 HB3 LEU A 35 7.086 7.243 -16.082 1.00 41.23 H new ATOM 0 HG LEU A 35 6.983 9.803 -15.997 1.00 31.03 H new ATOM 0 HD11 LEU A 35 6.417 10.933 -18.107 1.00 5.42 H new ATOM 0 HD12 LEU A 35 8.073 10.280 -18.119 1.00 5.42 H new ATOM 0 HD13 LEU A 35 6.776 9.436 -19.000 1.00 5.42 H new ATOM 0 HD21 LEU A 35 4.643 9.837 -16.756 1.00 1.05 H new ATOM 0 HD22 LEU A 35 4.886 8.268 -17.560 1.00 1.05 H new ATOM 0 HD23 LEU A 35 5.013 8.389 -15.789 1.00 1.05 H new ATOM 535 N PHE A 36 8.867 8.503 -14.160 1.00 20.52 N ATOM 536 CA PHE A 36 9.073 9.252 -12.932 1.00 73.41 C ATOM 537 C PHE A 36 10.441 9.937 -12.930 1.00 62.01 C ATOM 538 O PHE A 36 11.473 9.270 -12.987 1.00 45.32 O ATOM 539 CB PHE A 36 9.017 8.247 -11.780 1.00 3.55 C ATOM 540 CG PHE A 36 7.614 7.713 -11.488 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.138 6.640 -12.177 1.00 21.25 C ATOM 542 CD2 PHE A 36 6.843 8.308 -10.540 1.00 55.31 C ATOM 543 CE1 PHE A 36 5.835 6.144 -11.906 1.00 11.12 C ATOM 544 CE2 PHE A 36 5.540 7.812 -10.269 1.00 43.54 C ATOM 545 CZ PHE A 36 5.064 6.740 -10.957 1.00 24.50 C ATOM 0 H PHE A 36 8.374 7.618 -14.042 1.00 20.52 H new ATOM 0 HA PHE A 36 8.310 10.024 -12.835 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.673 7.408 -12.011 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.409 8.720 -10.880 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.751 6.166 -12.929 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.221 9.159 -9.992 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.456 5.294 -12.453 1.00 11.12 H new ATOM 0 HE2 PHE A 36 4.927 8.286 -9.517 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.074 6.362 -10.750 1.00 24.50 H new ATOM 555 N GLY A 37 10.405 11.260 -12.864 1.00 72.03 N ATOM 556 CA GLY A 37 11.630 12.042 -12.854 1.00 54.23 C ATOM 557 C GLY A 37 11.684 12.991 -14.052 1.00 11.10 C ATOM 558 O GLY A 37 12.189 14.108 -13.943 1.00 34.13 O ATOM 0 H GLY A 37 9.547 11.810 -12.817 1.00 72.03 H new ATOM 0 HA2 GLY A 37 11.693 12.615 -11.929 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.492 11.375 -12.875 1.00 54.23 H new ATOM 562 N ARG A 38 11.155 12.514 -15.169 1.00 20.32 N ATOM 563 CA ARG A 38 11.137 13.306 -16.387 1.00 21.31 C ATOM 564 C ARG A 38 9.812 14.063 -16.508 1.00 12.13 C ATOM 565 O ARG A 38 8.915 13.885 -15.686 1.00 64.01 O ATOM 566 CB ARG A 38 11.326 12.423 -17.622 1.00 72.11 C ATOM 567 CG ARG A 38 10.032 11.688 -17.974 1.00 4.21 C ATOM 568 CD ARG A 38 10.327 10.374 -18.699 1.00 70.22 C ATOM 569 NE ARG A 38 11.044 10.644 -19.965 1.00 24.34 N ATOM 570 CZ ARG A 38 11.159 9.755 -20.974 1.00 4.41 C ATOM 571 NH1 ARG A 38 10.605 8.528 -20.874 1.00 32.22 N ATOM 572 NH2 ARG A 38 11.823 10.104 -22.061 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.735 11.588 -15.256 1.00 20.32 H new ATOM 0 HA ARG A 38 11.962 14.016 -16.333 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.642 13.036 -18.467 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.121 11.700 -17.438 1.00 72.11 H new ATOM 0 HG2 ARG A 38 9.465 11.486 -17.065 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.409 12.323 -18.604 1.00 4.21 H new ATOM 0 HD2 ARG A 38 10.928 9.725 -18.062 1.00 70.22 H new ATOM 0 HD3 ARG A 38 9.396 9.846 -18.904 1.00 70.22 H new ATOM 0 HE ARG A 38 11.479 11.559 -20.082 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.094 8.266 -20.031 1.00 32.22 H new ATOM 0 HH12 ARG A 38 10.697 7.863 -21.642 1.00 32.22 H new ATOM 0 HH21 ARG A 38 12.239 11.033 -22.128 1.00 41.32 H new ATOM 0 HH22 ARG A 38 11.920 9.445 -22.833 1.00 41.32 H new ATOM 585 N LYS A 39 9.733 14.892 -17.539 1.00 13.22 N ATOM 586 CA LYS A 39 8.533 15.676 -17.778 1.00 74.33 C ATOM 587 C LYS A 39 7.688 14.992 -18.854 1.00 3.51 C ATOM 588 O LYS A 39 7.995 13.878 -19.274 1.00 62.53 O ATOM 589 CB LYS A 39 8.897 17.125 -18.110 1.00 1.41 C ATOM 590 CG LYS A 39 9.787 17.730 -17.022 1.00 54.01 C ATOM 591 CD LYS A 39 10.519 18.970 -17.539 1.00 44.05 C ATOM 592 CE LYS A 39 9.693 20.235 -17.297 1.00 41.14 C ATOM 593 NZ LYS A 39 8.547 20.292 -18.233 1.00 34.23 N1+ ATOM 0 H LYS A 39 10.480 15.038 -18.218 1.00 13.22 H new ATOM 0 HA LYS A 39 7.923 15.724 -16.876 1.00 74.33 H new ATOM 0 HB2 LYS A 39 9.413 17.163 -19.070 1.00 1.41 H new ATOM 0 HB3 LYS A 39 7.988 17.718 -18.213 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.180 17.996 -16.157 1.00 54.01 H new ATOM 0 HG3 LYS A 39 10.512 16.989 -16.687 1.00 54.01 H new ATOM 0 HD2 LYS A 39 11.484 19.061 -17.041 1.00 44.05 H new ATOM 0 HD3 LYS A 39 10.719 18.860 -18.605 1.00 44.05 H new ATOM 0 HE2 LYS A 39 9.332 20.249 -16.269 1.00 41.14 H new ATOM 0 HE3 LYS A 39 10.321 21.117 -17.427 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 8.311 21.285 -18.433 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 8.799 19.811 -19.120 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 7.725 19.820 -17.805 1.00 34.23 H new ATOM 606 N THR A 40 6.640 15.688 -19.268 1.00 65.31 N ATOM 607 CA THR A 40 5.747 15.162 -20.287 1.00 31.43 C ATOM 608 C THR A 40 6.201 15.612 -21.677 1.00 44.43 C ATOM 609 O THR A 40 6.483 16.790 -21.890 1.00 33.44 O ATOM 610 CB THR A 40 4.323 15.600 -19.941 1.00 11.21 C ATOM 611 OG1 THR A 40 4.278 16.972 -20.326 1.00 13.44 O ATOM 612 CG2 THR A 40 4.070 15.628 -18.432 1.00 70.11 C ATOM 0 H THR A 40 6.389 16.612 -18.916 1.00 65.31 H new ATOM 0 HA THR A 40 5.770 14.072 -20.309 1.00 31.43 H new ATOM 0 HB THR A 40 3.610 14.926 -20.416 1.00 11.21 H new ATOM 0 HG1 THR A 40 3.758 17.063 -21.152 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.045 15.945 -18.241 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.224 14.631 -18.019 1.00 70.11 H new ATOM 0 HG23 THR A 40 4.760 16.327 -17.960 1.00 70.11 H new ATOM 620 N GLY A 41 6.256 14.651 -22.587 1.00 74.22 N ATOM 621 CA GLY A 41 6.671 14.934 -23.951 1.00 71.51 C ATOM 622 C GLY A 41 8.164 14.660 -24.138 1.00 41.34 C ATOM 623 O GLY A 41 8.838 15.365 -24.887 1.00 43.02 O ATOM 0 H GLY A 41 6.020 13.675 -22.407 1.00 74.22 H new ATOM 0 HA2 GLY A 41 6.096 14.321 -24.645 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.456 15.975 -24.192 1.00 71.51 H new ATOM 627 N GLN A 42 8.637 13.635 -23.445 1.00 44.12 N ATOM 628 CA GLN A 42 10.038 13.259 -23.525 1.00 73.11 C ATOM 629 C GLN A 42 10.232 12.153 -24.564 1.00 50.22 C ATOM 630 O GLN A 42 11.092 12.261 -25.437 1.00 50.14 O ATOM 631 CB GLN A 42 10.570 12.826 -22.157 1.00 52.53 C ATOM 632 CG GLN A 42 10.548 13.994 -21.166 1.00 41.42 C ATOM 633 CD GLN A 42 11.156 15.252 -21.789 1.00 13.22 C ATOM 634 OE1 GLN A 42 10.264 16.059 -22.358 1.00 42.03 O flip ATOM 635 NE2 GLN A 42 12.355 15.476 -21.756 1.00 33.53 N flip ATOM 0 H GLN A 42 8.074 13.053 -22.825 1.00 44.12 H new ATOM 0 HA GLN A 42 10.610 14.132 -23.840 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.966 12.005 -21.771 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.588 12.451 -22.261 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.522 14.196 -20.858 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.103 13.724 -20.268 1.00 41.42 H new ATOM 0 HE21 GLN A 42 12.985 14.814 -21.303 1.00 33.53 H new ATOM 0 HE22 GLN A 42 12.727 16.325 -22.182 1.00 33.53 H new ATOM 644 N ALA A 43 9.420 11.115 -24.434 1.00 21.43 N ATOM 645 CA ALA A 43 9.492 9.989 -25.351 1.00 13.43 C ATOM 646 C ALA A 43 9.736 10.508 -26.769 1.00 25.42 C ATOM 647 O ALA A 43 8.807 10.951 -27.442 1.00 21.44 O ATOM 648 CB ALA A 43 8.209 9.162 -25.245 1.00 52.04 C ATOM 0 H ALA A 43 8.709 11.029 -23.708 1.00 21.43 H new ATOM 0 HA ALA A 43 10.324 9.334 -25.092 1.00 13.43 H new ATOM 0 HB1 ALA A 43 8.263 8.318 -25.932 1.00 52.04 H new ATOM 0 HB2 ALA A 43 8.097 8.793 -24.225 1.00 52.04 H new ATOM 0 HB3 ALA A 43 7.352 9.785 -25.502 1.00 52.04 H new ATOM 654 N PRO A 44 11.027 10.433 -27.194 1.00 54.23 N ATOM 655 CA PRO A 44 11.406 10.889 -28.521 1.00 32.32 C ATOM 656 C PRO A 44 10.958 9.892 -29.592 1.00 45.34 C ATOM 657 O PRO A 44 11.163 8.688 -29.448 1.00 73.41 O ATOM 658 CB PRO A 44 12.915 11.060 -28.462 1.00 53.35 C ATOM 659 CG PRO A 44 13.378 10.255 -27.259 1.00 23.34 C ATOM 660 CD PRO A 44 12.154 9.914 -26.426 1.00 50.12 C ATOM 0 HA PRO A 44 10.923 11.826 -28.798 1.00 32.32 H new ATOM 0 HB2 PRO A 44 13.385 10.700 -29.377 1.00 53.35 H new ATOM 0 HB3 PRO A 44 13.185 12.111 -28.357 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.886 9.346 -27.581 1.00 23.34 H new ATOM 0 HG3 PRO A 44 14.093 10.828 -26.669 1.00 23.34 H new ATOM 0 HD2 PRO A 44 12.067 8.838 -26.272 1.00 50.12 H new ATOM 0 HD3 PRO A 44 12.206 10.374 -25.439 1.00 50.12 H new ATOM 668 N GLY A 45 10.356 10.431 -30.642 1.00 22.12 N ATOM 669 CA GLY A 45 9.878 9.604 -31.737 1.00 73.44 C ATOM 670 C GLY A 45 8.448 9.126 -31.479 1.00 55.25 C ATOM 671 O GLY A 45 8.024 8.105 -32.019 1.00 72.31 O ATOM 0 H GLY A 45 10.188 11.430 -30.758 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.914 10.170 -32.668 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.536 8.744 -31.862 1.00 73.44 H new ATOM 675 N TYR A 46 7.743 9.887 -30.654 1.00 11.53 N ATOM 676 CA TYR A 46 6.370 9.554 -30.319 1.00 1.24 C ATOM 677 C TYR A 46 5.408 10.642 -30.801 1.00 3.31 C ATOM 678 O TYR A 46 5.820 11.776 -31.044 1.00 11.32 O ATOM 679 CB TYR A 46 6.314 9.481 -28.792 1.00 41.13 C ATOM 680 CG TYR A 46 5.021 8.872 -28.245 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.420 7.821 -28.906 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.457 9.375 -27.090 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.203 7.248 -28.391 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.240 8.803 -26.575 1.00 32.21 C ATOM 685 CZ TYR A 46 2.673 7.767 -27.251 1.00 34.24 C ATOM 686 OH TYR A 46 1.524 7.226 -26.764 1.00 1.12 O ATOM 0 H TYR A 46 8.098 10.733 -30.208 1.00 11.53 H new ATOM 0 HA TYR A 46 6.076 8.618 -30.794 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.160 8.893 -28.435 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.430 10.486 -28.386 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.862 7.428 -29.810 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.928 10.197 -26.573 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.722 6.425 -28.899 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.788 9.187 -25.673 1.00 32.21 H new ATOM 0 HH TYR A 46 1.361 6.361 -27.195 1.00 1.12 H new ATOM 696 N SER A 47 4.146 10.261 -30.925 1.00 12.14 N ATOM 697 CA SER A 47 3.123 11.189 -31.374 1.00 63.25 C ATOM 698 C SER A 47 2.299 11.677 -30.180 1.00 53.23 C ATOM 699 O SER A 47 1.077 11.777 -30.264 1.00 5.24 O ATOM 700 CB SER A 47 2.211 10.543 -32.418 1.00 53.34 C ATOM 701 OG SER A 47 1.843 11.459 -33.446 1.00 2.34 O ATOM 0 H SER A 47 3.808 9.320 -30.722 1.00 12.14 H new ATOM 0 HA SER A 47 3.617 12.041 -31.841 1.00 63.25 H new ATOM 0 HB2 SER A 47 2.718 9.686 -32.861 1.00 53.34 H new ATOM 0 HB3 SER A 47 1.312 10.165 -31.930 1.00 53.34 H new ATOM 0 HG SER A 47 1.262 11.008 -34.094 1.00 2.34 H new ATOM 707 N TYR A 48 3.004 11.969 -29.095 1.00 51.45 N ATOM 708 CA TYR A 48 2.353 12.444 -27.886 1.00 53.45 C ATOM 709 C TYR A 48 1.190 13.379 -28.221 1.00 22.32 C ATOM 710 O TYR A 48 1.184 14.019 -29.271 1.00 41.51 O ATOM 711 CB TYR A 48 3.417 13.228 -27.115 1.00 50.11 C ATOM 712 CG TYR A 48 4.092 12.428 -26.000 1.00 52.33 C ATOM 713 CD1 TYR A 48 3.326 11.741 -25.082 1.00 54.41 C ATOM 714 CD2 TYR A 48 5.470 12.396 -25.911 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.961 10.988 -24.032 1.00 15.30 C ATOM 716 CE2 TYR A 48 6.106 11.643 -24.861 1.00 74.44 C ATOM 717 CZ TYR A 48 5.320 10.977 -23.973 1.00 60.15 C ATOM 718 OH TYR A 48 5.921 10.266 -22.981 1.00 3.35 O ATOM 0 H TYR A 48 4.018 11.886 -29.029 1.00 51.45 H new ATOM 0 HA TYR A 48 1.951 11.609 -27.312 1.00 53.45 H new ATOM 0 HB2 TYR A 48 4.179 13.571 -27.815 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.957 14.117 -26.683 1.00 50.11 H new ATOM 0 HD1 TYR A 48 2.249 11.768 -25.151 1.00 54.41 H new ATOM 0 HD2 TYR A 48 6.070 12.936 -26.629 1.00 33.34 H new ATOM 0 HE1 TYR A 48 3.372 10.444 -23.308 1.00 15.30 H new ATOM 0 HE2 TYR A 48 7.182 11.608 -24.781 1.00 74.44 H new ATOM 0 HH TYR A 48 6.894 10.348 -23.063 1.00 3.35 H new ATOM 728 N THR A 49 0.231 13.430 -27.306 1.00 35.11 N ATOM 729 CA THR A 49 -0.935 14.276 -27.491 1.00 64.22 C ATOM 730 C THR A 49 -0.544 15.752 -27.394 1.00 54.14 C ATOM 731 O THR A 49 0.424 16.098 -26.718 1.00 75.51 O ATOM 732 CB THR A 49 -1.990 13.858 -26.465 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.316 13.960 -25.214 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.356 12.376 -26.571 1.00 63.01 C ATOM 0 H THR A 49 0.239 12.899 -26.435 1.00 35.11 H new ATOM 0 HA THR A 49 -1.361 14.150 -28.486 1.00 64.22 H new ATOM 0 HB THR A 49 -2.886 14.463 -26.599 1.00 13.11 H new ATOM 0 HG1 THR A 49 -1.924 14.338 -24.545 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.108 12.132 -25.821 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.754 12.170 -27.564 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.467 11.769 -26.404 1.00 63.01 H new ATOM 742 N ALA A 50 -1.315 16.582 -28.080 1.00 24.34 N ATOM 743 CA ALA A 50 -1.061 18.013 -28.079 1.00 24.32 C ATOM 744 C ALA A 50 -1.248 18.559 -26.663 1.00 54.32 C ATOM 745 O ALA A 50 -0.824 19.675 -26.363 1.00 62.11 O ATOM 746 CB ALA A 50 -1.983 18.695 -29.093 1.00 42.13 C ATOM 0 H ALA A 50 -2.116 16.291 -28.641 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.034 18.221 -28.379 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.793 19.768 -29.093 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.791 18.293 -30.088 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.022 18.510 -28.821 1.00 42.13 H new ATOM 752 N ALA A 51 -1.882 17.748 -25.829 1.00 13.53 N ATOM 753 CA ALA A 51 -2.129 18.136 -24.451 1.00 20.33 C ATOM 754 C ALA A 51 -1.022 17.570 -23.559 1.00 71.23 C ATOM 755 O ALA A 51 -0.883 17.972 -22.405 1.00 42.11 O ATOM 756 CB ALA A 51 -3.519 17.658 -24.027 1.00 31.52 C ATOM 0 H ALA A 51 -2.232 16.824 -26.081 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.112 19.221 -24.350 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -3.704 17.949 -22.993 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.272 18.111 -24.672 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -3.573 16.573 -24.113 1.00 31.52 H new ATOM 762 N ASN A 52 -0.261 16.647 -24.129 1.00 33.55 N ATOM 763 CA ASN A 52 0.831 16.023 -23.402 1.00 3.30 C ATOM 764 C ASN A 52 1.900 17.073 -23.094 1.00 32.21 C ATOM 765 O ASN A 52 2.391 17.153 -21.969 1.00 0.33 O ATOM 766 CB ASN A 52 1.481 14.913 -24.229 1.00 62.11 C ATOM 767 CG ASN A 52 1.892 13.736 -23.343 1.00 74.35 C ATOM 768 OD1 ASN A 52 1.222 12.719 -23.268 1.00 73.55 O ATOM 769 ND2 ASN A 52 3.028 13.930 -22.678 1.00 24.25 N ATOM 0 H ASN A 52 -0.379 16.316 -25.087 1.00 33.55 H new ATOM 0 HA ASN A 52 0.425 15.597 -22.485 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.785 14.570 -24.995 1.00 62.11 H new ATOM 0 HB3 ASN A 52 2.356 15.306 -24.747 1.00 62.11 H new ATOM 0 HD21 ASN A 52 3.387 13.203 -22.059 1.00 24.25 H new ATOM 0 HD22 ASN A 52 3.539 14.806 -22.787 1.00 24.25 H new ATOM 776 N LYS A 53 2.229 17.852 -24.113 1.00 51.52 N ATOM 777 CA LYS A 53 3.231 18.894 -23.967 1.00 63.12 C ATOM 778 C LYS A 53 2.574 20.150 -23.390 1.00 71.04 C ATOM 779 O LYS A 53 3.176 20.854 -22.581 1.00 34.03 O ATOM 780 CB LYS A 53 3.954 19.133 -25.293 1.00 51.14 C ATOM 781 CG LYS A 53 4.486 17.820 -25.872 1.00 72.33 C ATOM 782 CD LYS A 53 3.479 17.202 -26.844 1.00 61.33 C ATOM 783 CE LYS A 53 4.185 16.329 -27.884 1.00 25.12 C ATOM 784 NZ LYS A 53 5.384 15.691 -27.297 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.819 17.783 -25.044 1.00 51.52 H new ATOM 0 HA LYS A 53 4.002 18.584 -23.262 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.272 19.598 -26.004 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.779 19.828 -25.141 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.430 18.001 -26.387 1.00 72.33 H new ATOM 0 HG3 LYS A 53 4.693 17.119 -25.063 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.756 16.602 -26.291 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.921 17.992 -27.346 1.00 61.33 H new ATOM 0 HE2 LYS A 53 3.501 15.563 -28.250 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.472 16.936 -28.742 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 5.654 14.866 -27.870 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 6.168 16.374 -27.282 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 5.174 15.384 -26.326 1.00 11.21 H new ATOM 797 N ASN A 54 1.347 20.392 -23.829 1.00 23.11 N ATOM 798 CA ASN A 54 0.602 21.551 -23.367 1.00 62.43 C ATOM 799 C ASN A 54 0.837 21.738 -21.866 1.00 74.05 C ATOM 800 O ASN A 54 1.389 22.751 -21.442 1.00 24.23 O ATOM 801 CB ASN A 54 -0.899 21.365 -23.591 1.00 40.12 C ATOM 802 CG ASN A 54 -1.640 22.700 -23.480 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.568 23.398 -22.482 1.00 23.41 O ATOM 804 ND2 ASN A 54 -2.354 23.014 -24.557 1.00 32.23 N ATOM 0 H ASN A 54 0.850 19.805 -24.500 1.00 23.11 H new ATOM 0 HA ASN A 54 0.946 22.419 -23.929 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -1.072 20.930 -24.575 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.295 20.663 -22.858 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.885 23.885 -24.581 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.371 22.384 -25.359 1.00 32.23 H new ATOM 811 N LYS A 55 0.406 20.743 -21.105 1.00 72.24 N ATOM 812 CA LYS A 55 0.562 20.784 -19.660 1.00 1.14 C ATOM 813 C LYS A 55 2.011 21.135 -19.319 1.00 53.42 C ATOM 814 O LYS A 55 2.314 22.278 -18.979 1.00 12.22 O ATOM 815 CB LYS A 55 0.080 19.475 -19.032 1.00 73.04 C ATOM 816 CG LYS A 55 -1.436 19.487 -18.833 1.00 64.50 C ATOM 817 CD LYS A 55 -1.861 20.639 -17.921 1.00 75.50 C ATOM 818 CE LYS A 55 -0.871 20.820 -16.768 1.00 64.34 C ATOM 819 NZ LYS A 55 -0.691 19.545 -16.037 1.00 3.42 N1+ ATOM 0 H LYS A 55 -0.051 19.904 -21.461 1.00 72.24 H new ATOM 0 HA LYS A 55 -0.065 21.565 -19.230 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.360 18.637 -19.670 1.00 73.04 H new ATOM 0 HB3 LYS A 55 0.575 19.324 -18.073 1.00 73.04 H new ATOM 0 HG2 LYS A 55 -1.932 19.581 -19.799 1.00 64.50 H new ATOM 0 HG3 LYS A 55 -1.757 18.539 -18.401 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.924 21.561 -18.499 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -2.857 20.444 -17.523 1.00 75.50 H new ATOM 0 HE2 LYS A 55 0.089 21.163 -17.155 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -1.234 21.589 -16.086 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -0.826 19.707 -15.019 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -1.389 18.851 -16.373 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 0.268 19.181 -16.206 1.00 3.42 H new ATOM 832 N GLY A 56 2.869 20.130 -19.419 1.00 41.10 N ATOM 833 CA GLY A 56 4.279 20.318 -19.125 1.00 23.55 C ATOM 834 C GLY A 56 4.524 20.355 -17.615 1.00 73.03 C ATOM 835 O GLY A 56 4.396 21.405 -16.988 1.00 71.12 O ATOM 0 H GLY A 56 2.614 19.183 -19.700 1.00 41.10 H new ATOM 0 HA2 GLY A 56 4.858 19.510 -19.571 1.00 23.55 H new ATOM 0 HA3 GLY A 56 4.628 21.247 -19.576 1.00 23.55 H new ATOM 839 N ILE A 57 4.872 19.196 -17.076 1.00 34.25 N ATOM 840 CA ILE A 57 5.135 19.082 -15.651 1.00 4.20 C ATOM 841 C ILE A 57 6.041 17.875 -15.399 1.00 44.42 C ATOM 842 O ILE A 57 6.370 17.137 -16.327 1.00 10.04 O ATOM 843 CB ILE A 57 3.823 19.042 -14.865 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.858 18.017 -15.464 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.196 20.434 -14.771 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.048 16.643 -14.819 1.00 51.13 C ATOM 0 H ILE A 57 4.978 18.327 -17.600 1.00 34.25 H new ATOM 0 HA ILE A 57 5.668 19.962 -15.290 1.00 4.20 H new ATOM 0 HB ILE A 57 4.044 18.721 -13.847 1.00 10.34 H new ATOM 0 HG12 ILE A 57 1.831 18.352 -15.320 1.00 23.30 H new ATOM 0 HG13 ILE A 57 3.021 17.944 -16.539 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.265 20.376 -14.207 1.00 35.13 H new ATOM 0 HG22 ILE A 57 3.885 21.110 -14.265 1.00 35.13 H new ATOM 0 HG23 ILE A 57 2.991 20.809 -15.774 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.350 15.933 -15.263 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.069 16.301 -14.986 1.00 51.13 H new ATOM 0 HD13 ILE A 57 2.860 16.715 -13.748 1.00 51.13 H new ATOM 858 N ILE A 58 6.419 17.712 -14.140 1.00 31.21 N ATOM 859 CA ILE A 58 7.281 16.606 -13.755 1.00 43.43 C ATOM 860 C ILE A 58 6.429 15.487 -13.154 1.00 60.14 C ATOM 861 O ILE A 58 5.667 15.716 -12.216 1.00 21.20 O ATOM 862 CB ILE A 58 8.396 17.095 -12.828 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.344 18.045 -13.563 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.141 15.917 -12.199 1.00 60.01 C ATOM 865 CD1 ILE A 58 10.463 17.271 -14.263 1.00 11.43 C ATOM 0 H ILE A 58 6.145 18.326 -13.373 1.00 31.21 H new ATOM 0 HA ILE A 58 7.783 16.191 -14.629 1.00 43.43 H new ATOM 0 HB ILE A 58 7.940 17.660 -12.015 1.00 45.12 H new ATOM 0 HG12 ILE A 58 8.785 18.626 -14.297 1.00 53.42 H new ATOM 0 HG13 ILE A 58 9.775 18.754 -12.856 1.00 53.42 H new ATOM 0 HG21 ILE A 58 9.928 16.292 -11.545 1.00 60.01 H new ATOM 0 HG22 ILE A 58 8.443 15.313 -11.618 1.00 60.01 H new ATOM 0 HG23 ILE A 58 9.583 15.305 -12.985 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.122 17.970 -14.778 1.00 11.43 H new ATOM 0 HD12 ILE A 58 11.035 16.710 -13.524 1.00 11.43 H new ATOM 0 HD13 ILE A 58 10.030 16.581 -14.987 1.00 11.43 H new ATOM 877 N TRP A 59 6.586 14.299 -13.719 1.00 42.03 N ATOM 878 CA TRP A 59 5.841 13.143 -13.250 1.00 53.42 C ATOM 879 C TRP A 59 6.496 12.650 -11.959 1.00 35.14 C ATOM 880 O TRP A 59 7.706 12.433 -11.917 1.00 11.40 O ATOM 881 CB TRP A 59 5.765 12.065 -14.334 1.00 61.43 C ATOM 882 CG TRP A 59 4.898 12.447 -15.535 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.245 12.469 -16.829 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.518 12.867 -15.500 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.193 12.870 -17.628 1.00 20.21 N ATOM 886 CE2 TRP A 59 3.110 13.119 -16.793 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.643 13.028 -14.410 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.817 13.547 -17.119 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.355 13.456 -14.754 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.928 13.714 -16.051 1.00 21.05 C ATOM 0 H TRP A 59 7.218 14.112 -14.497 1.00 42.03 H new ATOM 0 HA TRP A 59 4.807 13.411 -13.033 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.774 11.844 -14.683 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.373 11.149 -13.893 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.225 12.206 -17.200 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.208 12.966 -18.643 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.941 12.837 -13.390 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.522 13.738 -18.140 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.643 13.596 -13.954 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.085 14.042 -16.234 1.00 21.05 H new ATOM 901 N GLY A 60 5.668 12.485 -10.939 1.00 53.12 N ATOM 902 CA GLY A 60 6.151 12.021 -9.649 1.00 65.12 C ATOM 903 C GLY A 60 5.040 11.317 -8.868 1.00 54.35 C ATOM 904 O GLY A 60 4.274 10.539 -9.435 1.00 52.13 O ATOM 0 H GLY A 60 4.665 12.664 -10.979 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.987 11.337 -9.794 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.527 12.866 -9.072 1.00 65.12 H new ATOM 908 N GLU A 61 4.987 11.615 -7.578 1.00 1.21 N ATOM 909 CA GLU A 61 3.982 11.021 -6.713 1.00 74.52 C ATOM 910 C GLU A 61 2.717 11.882 -6.699 1.00 21.13 C ATOM 911 O GLU A 61 1.606 11.359 -6.636 1.00 72.12 O ATOM 912 CB GLU A 61 4.526 10.822 -5.297 1.00 44.23 C ATOM 913 CG GLU A 61 5.680 9.818 -5.289 1.00 1.31 C ATOM 914 CD GLU A 61 7.022 10.522 -5.500 1.00 23.15 C ATOM 915 OE1 GLU A 61 7.560 10.508 -6.618 1.00 64.15 O ATOM 916 OE2 GLU A 61 7.506 11.100 -4.454 1.00 43.33 O1- ATOM 0 H GLU A 61 5.624 12.260 -7.111 1.00 1.21 H new ATOM 0 HA GLU A 61 3.724 10.039 -7.109 1.00 74.52 H new ATOM 0 HB2 GLU A 61 4.867 11.777 -4.897 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.728 10.470 -4.643 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.692 9.281 -4.341 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.527 9.077 -6.073 1.00 1.31 H new ATOM 924 N ASP A 62 2.929 13.189 -6.757 1.00 52.34 N ATOM 925 CA ASP A 62 1.820 14.128 -6.752 1.00 22.22 C ATOM 926 C ASP A 62 1.261 14.259 -8.170 1.00 44.15 C ATOM 927 O ASP A 62 0.124 13.872 -8.432 1.00 22.13 O ATOM 928 CB ASP A 62 2.275 15.515 -6.294 1.00 1.41 C ATOM 929 CG ASP A 62 2.311 15.715 -4.777 1.00 52.20 C ATOM 930 OD1 ASP A 62 1.674 16.632 -4.238 1.00 2.01 O ATOM 931 OD2 ASP A 62 3.041 14.869 -4.133 1.00 21.24 O1- ATOM 0 H ASP A 62 3.852 13.620 -6.808 1.00 52.34 H new ATOM 0 HA ASP A 62 1.063 13.751 -6.065 1.00 22.22 H new ATOM 0 HB2 ASP A 62 3.271 15.705 -6.694 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.609 16.261 -6.728 1.00 1.41 H new ATOM 937 N THR A 63 2.088 14.806 -9.050 1.00 72.52 N ATOM 938 CA THR A 63 1.691 14.992 -10.435 1.00 21.51 C ATOM 939 C THR A 63 0.885 13.787 -10.926 1.00 21.32 C ATOM 940 O THR A 63 0.026 13.924 -11.796 1.00 40.52 O ATOM 941 CB THR A 63 2.954 15.255 -11.258 1.00 0.41 C ATOM 942 OG1 THR A 63 3.922 14.372 -10.698 1.00 52.45 O ATOM 943 CG2 THR A 63 3.534 16.648 -11.012 1.00 31.44 C ATOM 0 H THR A 63 3.031 15.126 -8.830 1.00 72.52 H new ATOM 0 HA THR A 63 1.030 15.851 -10.545 1.00 21.51 H new ATOM 0 HB THR A 63 2.727 15.139 -12.318 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.822 14.697 -10.909 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.428 16.782 -11.620 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.795 17.403 -11.282 1.00 31.44 H new ATOM 0 HG23 THR A 63 3.793 16.754 -9.958 1.00 31.44 H new ATOM 951 N LEU A 64 1.190 12.636 -10.347 1.00 13.22 N ATOM 952 CA LEU A 64 0.505 11.408 -10.714 1.00 63.53 C ATOM 953 C LEU A 64 -0.793 11.294 -9.911 1.00 64.34 C ATOM 954 O LEU A 64 -1.870 11.145 -10.485 1.00 55.10 O ATOM 955 CB LEU A 64 1.437 10.206 -10.551 1.00 44.42 C ATOM 956 CG LEU A 64 2.386 9.930 -11.718 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.113 8.597 -11.531 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.646 9.996 -13.055 1.00 52.11 C ATOM 0 H LEU A 64 1.903 12.527 -9.626 1.00 13.22 H new ATOM 0 HA LEU A 64 0.228 11.426 -11.768 1.00 63.53 H new ATOM 0 HB2 LEU A 64 2.033 10.353 -9.651 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.827 9.318 -10.387 1.00 44.42 H new ATOM 0 HG LEU A 64 3.145 10.712 -11.732 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.781 8.426 -12.375 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.693 8.625 -10.609 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.383 7.789 -11.476 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.344 9.796 -13.868 1.00 52.11 H new ATOM 0 HD22 LEU A 64 0.851 9.250 -13.068 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.215 10.989 -13.183 1.00 52.11 H new ATOM 970 N MET A 65 -0.646 11.369 -8.597 1.00 33.24 N ATOM 971 CA MET A 65 -1.793 11.275 -7.710 1.00 54.13 C ATOM 972 C MET A 65 -2.867 12.296 -8.092 1.00 25.33 C ATOM 973 O MET A 65 -4.031 12.145 -7.725 1.00 22.02 O ATOM 974 CB MET A 65 -1.346 11.522 -6.268 1.00 42.51 C ATOM 975 CG MET A 65 -2.465 11.185 -5.281 1.00 50.02 C ATOM 976 SD MET A 65 -1.768 10.671 -3.719 1.00 13.13 S ATOM 977 CE MET A 65 -2.053 8.911 -3.817 1.00 15.21 C ATOM 0 H MET A 65 0.250 11.494 -8.125 1.00 33.24 H new ATOM 0 HA MET A 65 -2.218 10.275 -7.802 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.467 10.916 -6.047 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.053 12.565 -6.148 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.106 12.055 -5.134 1.00 50.02 H new ATOM 0 HG3 MET A 65 -3.093 10.392 -5.687 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.691 8.433 -2.907 1.00 15.21 H new ATOM 0 HE2 MET A 65 -3.121 8.721 -3.927 1.00 15.21 H new ATOM 0 HE3 MET A 65 -1.521 8.504 -4.677 1.00 15.21 H new ATOM 987 N GLU A 66 -2.437 13.312 -8.827 1.00 74.14 N ATOM 988 CA GLU A 66 -3.347 14.357 -9.263 1.00 73.33 C ATOM 989 C GLU A 66 -3.818 14.087 -10.694 1.00 2.43 C ATOM 990 O GLU A 66 -4.837 14.623 -11.127 1.00 72.31 O ATOM 991 CB GLU A 66 -2.693 15.735 -9.153 1.00 53.20 C ATOM 992 CG GLU A 66 -3.743 16.823 -8.917 1.00 12.14 C ATOM 993 CD GLU A 66 -4.333 16.720 -7.509 1.00 45.11 C ATOM 994 OE1 GLU A 66 -5.519 17.022 -7.311 1.00 41.11 O ATOM 995 OE2 GLU A 66 -3.514 16.306 -6.603 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.471 13.433 -9.131 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.217 14.351 -8.607 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -1.973 15.736 -8.334 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -2.138 15.952 -10.066 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.291 17.805 -9.055 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.539 16.732 -9.656 1.00 12.14 H new ATOM 1003 N TYR A 67 -3.054 13.257 -11.388 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.381 12.909 -12.761 1.00 3.25 C ATOM 1005 C TYR A 67 -4.323 11.704 -12.812 1.00 54.14 C ATOM 1006 O TYR A 67 -5.417 11.792 -13.368 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.055 12.533 -13.426 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.209 11.958 -14.836 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.669 12.758 -15.861 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -1.886 10.639 -15.082 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -2.814 12.218 -17.189 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -2.030 10.098 -16.408 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.487 10.914 -17.396 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.623 10.403 -18.649 1.00 60.35 O ATOM 0 H TYR A 67 -2.209 12.815 -11.026 1.00 23.00 H new ATOM 0 HA TYR A 67 -3.879 13.740 -13.260 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.420 13.417 -13.472 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.540 11.803 -12.801 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -2.921 13.790 -15.668 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -1.525 10.013 -14.280 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -3.174 12.834 -18.000 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -1.781 9.068 -16.614 1.00 20.05 H new ATOM 0 HH TYR A 67 -3.200 9.612 -18.619 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.864 10.609 -12.225 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.652 9.388 -12.198 1.00 1.14 C ATOM 1026 C LEU A 68 -6.117 9.739 -11.933 1.00 70.03 C ATOM 1027 O LEU A 68 -7.001 9.343 -12.691 1.00 54.01 O ATOM 1028 CB LEU A 68 -4.066 8.395 -11.192 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.981 7.459 -11.728 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -3.597 6.224 -12.385 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -2.037 8.201 -12.677 1.00 54.34 C ATOM 0 H LEU A 68 -2.956 10.541 -11.764 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.613 8.887 -13.165 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.652 8.958 -10.355 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.879 7.787 -10.796 1.00 71.15 H new ATOM 0 HG LEU A 68 -2.384 7.111 -10.885 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -2.804 5.576 -12.757 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -4.195 5.682 -11.652 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -4.233 6.532 -13.215 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -1.275 7.513 -13.044 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.605 8.596 -13.519 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -1.558 9.023 -12.145 1.00 54.34 H new ATOM 1043 N GLU A 69 -6.330 10.479 -10.854 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.674 10.887 -10.480 1.00 44.21 C ATOM 1045 C GLU A 69 -8.484 11.252 -11.725 1.00 21.20 C ATOM 1046 O GLU A 69 -9.640 10.854 -11.856 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.636 12.053 -9.490 1.00 23.33 C ATOM 1048 CG GLU A 69 -7.532 13.392 -10.223 1.00 33.31 C ATOM 1049 CD GLU A 69 -7.461 14.555 -9.232 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -7.570 14.341 -8.016 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -7.285 15.716 -9.766 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.595 10.806 -10.227 1.00 20.13 H new ATOM 0 HA GLU A 69 -8.163 10.048 -9.986 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -8.535 12.041 -8.874 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.787 11.936 -8.817 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -6.646 13.395 -10.857 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -8.394 13.520 -10.878 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.845 12.003 -12.610 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.492 12.425 -13.839 1.00 10.35 C ATOM 1061 C ASN A 70 -7.425 12.782 -14.876 1.00 50.13 C ATOM 1062 O ASN A 70 -6.940 13.912 -14.909 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.360 13.665 -13.609 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.776 13.271 -13.184 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -11.180 12.123 -13.266 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -11.503 14.284 -12.725 1.00 64.01 N ATOM 0 H ASN A 70 -6.885 12.330 -12.499 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.120 11.605 -14.187 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.907 14.293 -12.842 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.402 14.258 -14.522 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -12.461 14.124 -12.414 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -11.103 15.221 -12.683 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.081 11.771 -15.719 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.080 11.967 -16.753 1.00 62.33 C ATOM 1075 C PRO A 71 -6.644 12.789 -17.914 1.00 21.13 C ATOM 1076 O PRO A 71 -5.894 13.261 -18.767 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.661 10.565 -17.166 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.768 9.641 -16.685 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.635 10.420 -15.708 1.00 43.43 C ATOM 0 HA PRO A 71 -5.220 12.538 -16.403 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.537 10.497 -18.247 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.705 10.295 -16.718 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.364 9.289 -17.527 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.346 8.759 -16.202 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.680 10.418 -16.017 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.597 9.984 -14.710 1.00 43.43 H new ATOM 1087 N LYS A 72 -7.961 12.935 -17.908 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.634 13.692 -18.949 1.00 43.01 C ATOM 1089 C LYS A 72 -8.559 15.184 -18.620 1.00 54.30 C ATOM 1090 O LYS A 72 -8.293 16.004 -19.497 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.061 13.178 -19.148 1.00 3.34 C ATOM 1092 CG LYS A 72 -11.042 13.918 -18.237 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.418 13.248 -18.252 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.414 14.021 -17.385 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.054 15.101 -18.170 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.580 12.542 -17.199 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.132 13.551 -19.906 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.357 13.309 -20.189 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.099 12.109 -18.938 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.654 13.937 -17.219 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.135 14.954 -18.562 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -12.788 13.192 -19.276 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.332 12.224 -17.888 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -14.175 13.342 -17.001 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.901 14.445 -16.522 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -14.510 15.776 -17.524 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -13.333 15.595 -18.734 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -14.769 14.692 -18.805 1.00 65.43 H new ATOM 1108 N LYS A 73 -8.796 15.490 -17.353 1.00 54.43 N ATOM 1109 CA LYS A 73 -8.758 16.869 -16.896 1.00 14.10 C ATOM 1110 C LYS A 73 -7.315 17.376 -16.936 1.00 65.14 C ATOM 1111 O LYS A 73 -6.991 18.280 -17.703 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.416 16.997 -15.522 1.00 44.31 C ATOM 1113 CG LYS A 73 -10.940 16.886 -15.630 1.00 44.45 C ATOM 1114 CD LYS A 73 -11.556 18.215 -16.072 1.00 21.13 C ATOM 1115 CE LYS A 73 -12.914 17.995 -16.741 1.00 32.30 C ATOM 1116 NZ LYS A 73 -13.965 17.778 -15.721 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.015 14.807 -16.628 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.339 17.506 -17.562 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.037 16.219 -14.860 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.148 17.954 -15.075 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.202 16.105 -16.343 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.356 16.591 -14.667 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -11.674 18.870 -15.209 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -10.883 18.719 -16.765 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -13.168 18.859 -17.355 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -12.863 17.134 -17.408 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -14.880 17.630 -16.192 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -13.729 16.940 -15.152 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -14.025 18.611 -15.101 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.485 16.769 -16.099 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.084 17.147 -16.028 1.00 13.35 C ATOM 1131 C TYR A 74 -4.535 17.477 -17.418 1.00 21.32 C ATOM 1132 O TYR A 74 -3.977 18.553 -17.629 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.345 15.925 -15.478 1.00 41.13 C ATOM 1134 CG TYR A 74 -2.978 16.247 -14.871 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -1.952 16.690 -15.679 1.00 25.24 C ATOM 1136 CD2 TYR A 74 -2.773 16.093 -13.515 1.00 53.12 C ATOM 1137 CE1 TYR A 74 -0.664 16.992 -15.107 1.00 2.04 C ATOM 1138 CE2 TYR A 74 -1.486 16.396 -12.943 1.00 44.42 C ATOM 1139 CZ TYR A 74 -0.496 16.830 -13.767 1.00 54.11 C ATOM 1140 OH TYR A 74 0.720 17.115 -13.227 1.00 35.30 O ATOM 0 H TYR A 74 -6.757 16.018 -15.464 1.00 0.35 H new ATOM 0 HA TYR A 74 -4.955 18.030 -15.402 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -4.965 15.449 -14.719 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.213 15.201 -16.282 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -2.114 16.811 -16.740 1.00 25.24 H new ATOM 0 HD2 TYR A 74 -3.577 15.746 -12.883 1.00 53.12 H new ATOM 0 HE1 TYR A 74 0.149 17.339 -15.728 1.00 2.04 H new ATOM 0 HE2 TYR A 74 -1.312 16.281 -11.883 1.00 44.42 H new ATOM 0 HH TYR A 74 0.637 17.188 -12.253 1.00 35.30 H new ATOM 1150 N ILE A 75 -4.712 16.533 -18.330 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.241 16.710 -19.692 1.00 45.04 C ATOM 1152 C ILE A 75 -5.442 16.751 -20.641 1.00 31.42 C ATOM 1153 O ILE A 75 -5.889 15.714 -21.127 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.213 15.635 -20.049 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.224 15.419 -18.900 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -2.502 15.969 -21.361 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.179 14.366 -19.267 1.00 44.21 C ATOM 0 H ILE A 75 -5.176 15.642 -18.152 1.00 53.34 H new ATOM 0 HA ILE A 75 -3.720 17.662 -19.793 1.00 45.04 H new ATOM 0 HB ILE A 75 -3.742 14.694 -20.201 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -1.729 16.360 -18.660 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -2.763 15.106 -18.006 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -1.777 15.188 -21.591 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.234 16.032 -22.166 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -1.987 16.925 -21.263 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -0.489 14.232 -18.434 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -1.676 13.420 -19.483 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -0.626 14.694 -20.147 1.00 44.21 H new ATOM 1169 N PRO A 76 -5.942 17.993 -20.881 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.080 18.183 -21.762 1.00 71.30 C ATOM 1171 C PRO A 76 -6.673 18.026 -23.229 1.00 33.42 C ATOM 1172 O PRO A 76 -5.897 18.825 -23.749 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.603 19.573 -21.437 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.467 20.288 -20.724 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.438 19.244 -20.322 1.00 71.25 C ATOM 0 HA PRO A 76 -7.857 17.434 -21.610 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -7.891 20.104 -22.344 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.489 19.519 -20.804 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.017 21.036 -21.377 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.839 20.815 -19.845 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.452 19.486 -20.719 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.339 19.182 -19.238 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.214 16.990 -23.852 1.00 72.13 N ATOM 1184 CA GLY A 77 -6.915 16.717 -25.249 1.00 33.14 C ATOM 1185 C GLY A 77 -6.253 15.348 -25.411 1.00 34.12 C ATOM 1186 O GLY A 77 -6.192 14.811 -26.515 1.00 30.24 O ATOM 0 H GLY A 77 -7.857 16.329 -23.416 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.834 16.752 -25.835 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.257 17.492 -25.642 1.00 33.14 H new ATOM 1190 N THR A 78 -5.773 14.822 -24.293 1.00 72.54 N ATOM 1191 CA THR A 78 -5.116 13.526 -24.297 1.00 22.21 C ATOM 1192 C THR A 78 -5.989 12.489 -25.008 1.00 2.52 C ATOM 1193 O THR A 78 -7.149 12.756 -25.316 1.00 4.33 O ATOM 1194 CB THR A 78 -4.790 13.156 -22.849 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.457 11.772 -22.910 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.022 13.204 -21.942 1.00 64.23 C ATOM 0 H THR A 78 -5.826 15.270 -23.378 1.00 72.54 H new ATOM 0 HA THR A 78 -4.181 13.558 -24.857 1.00 22.21 H new ATOM 0 HB THR A 78 -4.028 13.834 -22.464 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.558 11.372 -22.021 1.00 2.22 H new ATOM 0 HG21 THR A 78 -5.736 12.933 -20.926 1.00 64.23 H new ATOM 0 HG22 THR A 78 -6.438 14.212 -21.946 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.771 12.501 -22.308 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.397 11.329 -25.246 1.00 44.33 N ATOM 1205 CA LYS A 79 -6.106 10.250 -25.915 1.00 42.52 C ATOM 1206 C LYS A 79 -6.124 9.019 -25.007 1.00 41.14 C ATOM 1207 O LYS A 79 -6.477 7.925 -25.445 1.00 0.42 O ATOM 1208 CB LYS A 79 -5.502 9.987 -27.295 1.00 10.55 C ATOM 1209 CG LYS A 79 -4.053 9.510 -27.178 1.00 62.22 C ATOM 1210 CD LYS A 79 -3.296 9.730 -28.489 1.00 44.22 C ATOM 1211 CE LYS A 79 -1.845 9.258 -28.370 1.00 74.45 C ATOM 1212 NZ LYS A 79 -1.110 10.080 -27.384 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.434 11.111 -24.988 1.00 44.33 H new ATOM 0 HA LYS A 79 -7.144 10.530 -26.095 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -6.094 9.236 -27.818 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -5.542 10.898 -27.893 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -3.554 10.047 -26.371 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -4.035 8.452 -26.916 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -3.793 9.190 -29.295 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -3.318 10.787 -28.753 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -1.821 8.211 -28.069 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.355 9.321 -29.342 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -0.239 9.587 -27.101 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -0.866 10.997 -27.810 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -1.707 10.235 -26.547 1.00 73.00 H new ATOM 1225 N MET A 80 -5.740 9.237 -23.758 1.00 72.20 N ATOM 1226 CA MET A 80 -5.708 8.159 -22.784 1.00 50.41 C ATOM 1227 C MET A 80 -7.121 7.801 -22.316 1.00 72.11 C ATOM 1228 O MET A 80 -7.693 8.493 -21.476 1.00 14.12 O ATOM 1229 CB MET A 80 -4.862 8.582 -21.581 1.00 3.55 C ATOM 1230 CG MET A 80 -5.016 7.588 -20.427 1.00 30.15 C ATOM 1231 SD MET A 80 -3.681 7.797 -19.261 1.00 1.13 S ATOM 1232 CE MET A 80 -4.575 7.598 -17.728 1.00 62.42 C ATOM 0 H MET A 80 -5.448 10.145 -23.398 1.00 72.20 H new ATOM 0 HA MET A 80 -5.269 7.280 -23.256 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.814 8.646 -21.873 1.00 3.55 H new ATOM 0 HB3 MET A 80 -5.163 9.577 -21.252 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.973 7.742 -19.928 1.00 30.15 H new ATOM 0 HG3 MET A 80 -5.018 6.568 -20.812 1.00 30.15 H new ATOM 0 HE1 MET A 80 -4.114 8.214 -16.956 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.611 7.906 -17.868 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.546 6.552 -17.423 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.640 6.722 -22.881 1.00 13.21 N ATOM 1243 CA ILE A 81 -8.974 6.264 -22.532 1.00 23.44 C ATOM 1244 C ILE A 81 -8.937 5.600 -21.153 1.00 45.24 C ATOM 1245 O ILE A 81 -8.715 4.395 -21.048 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.538 5.363 -23.633 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -9.277 5.962 -25.017 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -11.023 5.078 -23.402 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -9.686 7.436 -25.063 1.00 54.13 C ATOM 0 H ILE A 81 -7.161 6.151 -23.578 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.659 7.109 -22.462 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.018 4.406 -23.592 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -8.220 5.866 -25.265 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -9.833 5.403 -25.770 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.398 4.436 -24.199 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -11.153 4.579 -22.442 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.578 6.016 -23.401 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -9.490 7.837 -26.057 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -10.749 7.526 -24.838 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.111 7.996 -24.326 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.157 6.416 -20.133 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.152 5.923 -18.766 1.00 45.32 C ATOM 1263 C PHE A 82 -10.106 6.733 -17.887 1.00 15.33 C ATOM 1264 O PHE A 82 -10.377 7.899 -18.169 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.726 6.089 -18.237 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.398 5.195 -17.039 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.712 3.872 -17.072 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -6.793 5.723 -15.941 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -7.408 3.042 -15.960 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.490 4.894 -14.829 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.804 3.571 -14.862 1.00 22.42 C ATOM 0 H PHE A 82 -9.340 7.415 -20.226 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.476 4.883 -18.745 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -7.023 5.873 -19.042 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.574 7.130 -17.953 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -8.192 3.453 -17.944 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -6.543 6.773 -15.915 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -7.656 1.991 -15.986 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.010 5.314 -13.957 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.574 2.940 -14.016 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.590 6.082 -16.839 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.509 6.727 -15.917 1.00 44.03 C ATOM 1283 C VAL A 83 -10.727 7.262 -14.716 1.00 4.21 C ATOM 1284 O VAL A 83 -11.165 8.204 -14.055 1.00 54.11 O ATOM 1285 CB VAL A 83 -12.622 5.755 -15.520 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.080 4.636 -14.627 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -13.776 6.492 -14.838 1.00 35.41 C ATOM 0 H VAL A 83 -10.363 5.115 -16.608 1.00 43.41 H new ATOM 0 HA VAL A 83 -11.995 7.578 -16.395 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.009 5.298 -16.431 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -12.891 3.959 -14.359 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -11.309 4.084 -15.164 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -11.654 5.067 -13.721 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -14.554 5.778 -14.566 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.410 6.989 -13.940 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -14.188 7.234 -15.521 1.00 35.41 H new ATOM 1297 N GLY A 84 -9.584 6.640 -14.469 1.00 4.04 N ATOM 1298 CA GLY A 84 -8.737 7.042 -13.359 1.00 52.24 C ATOM 1299 C GLY A 84 -9.161 6.346 -12.065 1.00 70.24 C ATOM 1300 O GLY A 84 -10.122 5.577 -12.056 1.00 15.11 O ATOM 0 H GLY A 84 -9.224 5.860 -15.019 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -7.698 6.799 -13.583 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -8.791 8.123 -13.229 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.426 6.638 -11.003 1.00 33.41 N ATOM 1305 CA ILE A 85 -8.714 6.050 -9.707 1.00 44.34 C ATOM 1306 C ILE A 85 -9.113 7.155 -8.727 1.00 34.42 C ATOM 1307 O ILE A 85 -8.467 8.200 -8.667 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.533 5.202 -9.229 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.085 4.224 -10.317 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -7.867 4.487 -7.918 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.004 4.847 -11.202 1.00 62.43 C ATOM 0 H ILE A 85 -7.630 7.276 -11.014 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.560 5.366 -9.779 1.00 44.34 H new ATOM 0 HB ILE A 85 -6.693 5.867 -9.028 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -6.703 3.313 -9.857 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.941 3.938 -10.929 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.011 3.891 -7.600 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.101 5.225 -7.150 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -8.727 3.835 -8.068 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.703 4.131 -11.967 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -6.397 5.745 -11.679 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.140 5.110 -10.591 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.176 6.887 -7.984 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.671 7.846 -7.010 1.00 4.54 C ATOM 1325 C LYS A 86 -10.007 7.580 -5.657 1.00 23.40 C ATOM 1326 O LYS A 86 -9.542 8.508 -4.997 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.199 7.821 -6.961 1.00 51.42 C ATOM 1328 CG LYS A 86 -12.797 8.081 -8.345 1.00 2.32 C ATOM 1329 CD LYS A 86 -12.878 6.787 -9.158 1.00 43.02 C ATOM 1330 CE LYS A 86 -13.982 6.872 -10.215 1.00 63.30 C ATOM 1331 NZ LYS A 86 -15.301 7.059 -9.571 1.00 13.13 N1+ ATOM 0 H LYS A 86 -10.709 6.019 -8.036 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.402 8.861 -7.304 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.539 6.854 -6.590 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.556 8.575 -6.259 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -13.793 8.512 -8.240 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.188 8.812 -8.877 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -11.920 6.597 -9.642 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -13.071 5.946 -8.492 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -13.781 7.701 -10.894 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -13.989 5.963 -10.816 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -16.040 6.627 -10.162 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -15.297 6.606 -8.635 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -15.494 8.075 -9.464 1.00 13.13 H new ATOM 1344 N LYS A 87 -9.984 6.309 -5.285 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.385 5.908 -4.023 1.00 74.32 C ATOM 1346 C LYS A 87 -7.919 6.348 -3.997 1.00 52.11 C ATOM 1347 O LYS A 87 -7.165 6.059 -4.924 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.582 4.409 -3.788 1.00 24.34 C ATOM 1349 CG LYS A 87 -10.961 4.126 -3.189 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.054 4.229 -4.255 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.305 3.457 -3.833 1.00 64.11 C ATOM 1352 NZ LYS A 87 -12.947 2.091 -3.388 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.371 5.543 -5.836 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.882 6.405 -3.190 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.473 3.872 -4.730 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -8.807 4.037 -3.118 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -10.972 3.130 -2.747 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.164 4.833 -2.385 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.307 5.276 -4.421 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.682 3.837 -5.202 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -13.812 3.987 -3.027 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -14.004 3.402 -4.667 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -13.784 1.476 -3.446 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -12.196 1.712 -4.000 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -12.609 2.124 -2.405 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.561 7.039 -2.926 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.200 7.521 -2.767 1.00 50.44 C ATOM 1367 C LYS A 88 -5.278 6.340 -2.452 1.00 62.35 C ATOM 1368 O LYS A 88 -4.294 6.112 -3.154 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.144 8.638 -1.722 1.00 32.15 C ATOM 1370 CG LYS A 88 -4.728 9.205 -1.599 1.00 53.14 C ATOM 1371 CD LYS A 88 -4.496 9.802 -0.210 1.00 21.14 C ATOM 1372 CE LYS A 88 -3.001 9.923 0.091 1.00 11.43 C ATOM 1373 NZ LYS A 88 -2.458 8.625 0.553 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.190 7.277 -2.159 1.00 3.10 H new ATOM 0 HA LYS A 88 -5.844 7.966 -3.696 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -6.835 9.434 -1.998 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.471 8.253 -0.756 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -3.999 8.417 -1.786 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.572 9.971 -2.359 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -4.964 10.785 -0.150 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -4.973 9.175 0.544 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -2.469 10.249 -0.803 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -2.838 10.684 0.854 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -1.442 8.725 0.753 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -2.954 8.330 1.418 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -2.596 7.908 -0.187 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.630 5.620 -1.398 1.00 24.00 N ATOM 1387 CA GLU A 89 -4.849 4.468 -0.983 1.00 53.30 C ATOM 1388 C GLU A 89 -4.529 3.581 -2.188 1.00 33.12 C ATOM 1389 O GLU A 89 -3.393 3.141 -2.355 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.576 3.675 0.106 1.00 23.22 C ATOM 1391 CG GLU A 89 -5.798 4.533 1.353 1.00 22.23 C ATOM 1392 CD GLU A 89 -6.134 3.662 2.565 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -5.614 2.543 2.687 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -6.967 4.187 3.399 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.447 5.812 -0.818 1.00 24.00 H new ATOM 0 HA GLU A 89 -3.910 4.824 -0.560 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -6.535 3.324 -0.274 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -4.994 2.791 0.367 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -4.903 5.120 1.559 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -6.608 5.240 1.173 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.554 3.344 -2.994 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.397 2.517 -4.179 1.00 0.45 C ATOM 1404 C GLU A 90 -4.268 3.058 -5.059 1.00 42.01 C ATOM 1405 O GLU A 90 -3.415 2.300 -5.517 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.707 2.426 -4.962 1.00 22.42 C ATOM 1407 CG GLU A 90 -6.790 1.114 -5.743 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.831 1.205 -6.860 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -7.551 0.812 -8.004 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -8.967 1.705 -6.509 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.495 3.710 -2.850 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.132 1.509 -3.861 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.551 2.498 -4.276 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.783 3.268 -5.650 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -5.815 0.878 -6.169 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.048 0.300 -5.066 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.300 4.366 -5.269 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.290 5.018 -6.087 1.00 55.13 C ATOM 1420 C ARG A 91 -1.957 5.072 -5.338 1.00 34.33 C ATOM 1421 O ARG A 91 -0.935 5.444 -5.913 1.00 24.42 O ATOM 1422 CB ARG A 91 -3.717 6.439 -6.459 1.00 21.11 C ATOM 1423 CG ARG A 91 -4.957 6.422 -7.357 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.159 7.777 -8.038 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.032 8.866 -7.045 1.00 24.12 N ATOM 1426 CZ ARG A 91 -5.952 9.136 -6.095 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.077 8.395 -6.000 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -5.736 10.134 -5.259 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.009 4.992 -4.887 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.174 4.435 -7.001 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -3.927 7.008 -5.553 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -2.899 6.946 -6.972 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -4.853 5.643 -8.112 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -5.837 6.174 -6.763 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.422 7.908 -8.830 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.142 7.814 -8.507 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.196 9.450 -7.080 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.237 7.625 -6.649 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -7.767 8.606 -5.279 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -4.883 10.689 -5.336 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -6.422 10.351 -4.536 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.011 4.697 -4.070 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.819 4.699 -3.237 1.00 4.24 C ATOM 1443 C ALA A 92 -0.034 3.408 -3.476 1.00 44.10 C ATOM 1444 O ALA A 92 1.164 3.346 -3.203 1.00 25.42 O ATOM 1445 CB ALA A 92 -1.221 4.875 -1.772 1.00 24.15 C ATOM 0 H ALA A 92 -2.861 4.389 -3.598 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.168 5.533 -3.499 1.00 4.24 H new ATOM 0 HB1 ALA A 92 -0.328 4.877 -1.147 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.750 5.820 -1.651 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.872 4.054 -1.472 1.00 24.15 H new ATOM 1451 N ASP A 93 -0.741 2.408 -3.982 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.125 1.121 -4.260 1.00 41.32 C ATOM 1453 C ASP A 93 0.208 1.033 -5.751 1.00 30.23 C ATOM 1454 O ASP A 93 1.348 0.752 -6.120 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.074 -0.029 -3.918 1.00 51.12 C ATOM 1456 CG ASP A 93 -2.559 0.274 -4.126 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -3.140 -0.062 -5.168 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -3.132 0.891 -3.147 1.00 61.21 O1- ATOM 0 H ASP A 93 -1.734 2.463 -4.207 1.00 13.32 H new ATOM 0 HA ASP A 93 0.775 1.038 -3.651 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -0.807 -0.894 -4.526 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -0.919 -0.311 -2.877 1.00 51.12 H new ATOM 1464 N LEU A 94 -0.807 1.275 -6.567 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.636 1.225 -8.009 1.00 74.05 C ATOM 1466 C LEU A 94 0.643 1.973 -8.393 1.00 42.32 C ATOM 1467 O LEU A 94 1.353 1.563 -9.309 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.889 1.748 -8.715 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.869 1.693 -10.244 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.521 0.288 -10.738 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.191 2.196 -10.828 1.00 30.44 C ATOM 0 H LEU A 94 -1.751 1.506 -6.257 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.516 0.194 -8.343 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.747 1.176 -8.362 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.049 2.782 -8.410 1.00 54.11 H new ATOM 0 HG LEU A 94 -1.085 2.362 -10.600 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.514 0.277 -11.828 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.536 0.005 -10.366 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.265 -0.421 -10.373 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -3.150 2.146 -11.916 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -4.009 1.573 -10.467 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -3.357 3.228 -10.518 1.00 30.44 H new ATOM 1483 N ILE A 95 0.896 3.056 -7.672 1.00 14.42 N ATOM 1484 CA ILE A 95 2.076 3.864 -7.926 1.00 64.13 C ATOM 1485 C ILE A 95 3.308 3.151 -7.362 1.00 4.02 C ATOM 1486 O ILE A 95 4.367 3.147 -7.987 1.00 25.25 O ATOM 1487 CB ILE A 95 1.883 5.281 -7.382 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.734 5.991 -8.100 1.00 4.41 C ATOM 1489 CG2 ILE A 95 3.186 6.079 -7.456 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.432 7.342 -7.447 1.00 42.01 C ATOM 0 H ILE A 95 0.304 3.392 -6.912 1.00 14.42 H new ATOM 0 HA ILE A 95 2.236 3.978 -8.998 1.00 64.13 H new ATOM 0 HB ILE A 95 1.610 5.209 -6.329 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.992 6.139 -9.149 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.157 5.364 -8.076 1.00 4.41 H new ATOM 0 HG21 ILE A 95 3.021 7.082 -7.063 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.953 5.579 -6.864 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.514 6.145 -8.493 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.389 7.827 -7.976 1.00 42.01 H new ATOM 0 HD12 ILE A 95 0.151 7.188 -6.405 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.318 7.975 -7.494 1.00 42.01 H new ATOM 1502 N ALA A 96 3.127 2.567 -6.187 1.00 33.14 N ATOM 1503 CA ALA A 96 4.210 1.853 -5.531 1.00 12.15 C ATOM 1504 C ALA A 96 4.754 0.781 -6.478 1.00 53.11 C ATOM 1505 O ALA A 96 5.955 0.730 -6.739 1.00 25.00 O ATOM 1506 CB ALA A 96 3.708 1.265 -4.211 1.00 44.52 C ATOM 0 H ALA A 96 2.247 2.573 -5.672 1.00 33.14 H new ATOM 0 HA ALA A 96 5.030 2.531 -5.294 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.520 0.730 -3.719 1.00 44.52 H new ATOM 0 HB2 ALA A 96 3.359 2.070 -3.564 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.887 0.576 -4.409 1.00 44.52 H new ATOM 1512 N TYR A 97 3.845 -0.049 -6.965 1.00 1.44 N ATOM 1513 CA TYR A 97 4.218 -1.118 -7.877 1.00 62.31 C ATOM 1514 C TYR A 97 5.098 -0.588 -9.011 1.00 21.40 C ATOM 1515 O TYR A 97 6.124 -1.183 -9.334 1.00 22.13 O ATOM 1516 CB TYR A 97 2.909 -1.645 -8.467 1.00 54.22 C ATOM 1517 CG TYR A 97 3.073 -2.344 -9.818 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.714 -3.564 -9.891 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.578 -1.756 -10.965 1.00 73.34 C ATOM 1520 CE1 TYR A 97 3.869 -4.222 -11.162 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.733 -2.414 -12.236 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.370 -3.614 -12.272 1.00 14.22 C ATOM 1523 OH TYR A 97 3.516 -4.236 -13.473 1.00 3.20 O ATOM 0 H TYR A 97 2.850 -0.004 -6.746 1.00 1.44 H new ATOM 0 HA TYR A 97 4.781 -1.891 -7.353 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.459 -2.343 -7.761 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.213 -0.814 -8.581 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.100 -4.025 -8.994 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.074 -0.802 -10.909 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.370 -5.176 -11.233 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.352 -1.964 -13.141 1.00 72.22 H new ATOM 0 HH TYR A 97 3.111 -3.687 -14.177 1.00 3.20 H new ATOM 1533 N LEU A 98 4.663 0.525 -9.583 1.00 55.30 N ATOM 1534 CA LEU A 98 5.399 1.142 -10.674 1.00 10.43 C ATOM 1535 C LEU A 98 6.817 1.474 -10.205 1.00 50.54 C ATOM 1536 O LEU A 98 7.780 1.288 -10.946 1.00 71.33 O ATOM 1537 CB LEU A 98 4.635 2.349 -11.221 1.00 25.13 C ATOM 1538 CG LEU A 98 3.276 2.049 -11.858 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.497 3.340 -12.118 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.438 1.212 -13.128 1.00 11.03 C ATOM 0 H LEU A 98 3.811 1.015 -9.312 1.00 55.30 H new ATOM 0 HA LEU A 98 5.493 0.448 -11.509 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.484 3.058 -10.407 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.261 2.844 -11.963 1.00 25.13 H new ATOM 0 HG LEU A 98 2.692 1.456 -11.154 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.535 3.100 -12.571 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.334 3.863 -11.175 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.066 3.979 -12.793 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.457 1.013 -13.560 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.048 1.758 -13.848 1.00 11.03 H new ATOM 0 HD23 LEU A 98 3.924 0.268 -12.882 1.00 11.03 H new ATOM 1552 N LYS A 99 6.900 1.959 -8.975 1.00 73.11 N ATOM 1553 CA LYS A 99 8.185 2.318 -8.397 1.00 1.31 C ATOM 1554 C LYS A 99 9.033 1.057 -8.226 1.00 71.25 C ATOM 1555 O LYS A 99 10.231 1.142 -7.961 1.00 53.02 O ATOM 1556 CB LYS A 99 7.986 3.106 -7.100 1.00 31.34 C ATOM 1557 CG LYS A 99 7.944 4.611 -7.374 1.00 15.41 C ATOM 1558 CD LYS A 99 6.515 5.075 -7.665 1.00 1.10 C ATOM 1559 CE LYS A 99 6.359 6.571 -7.388 1.00 13.50 C ATOM 1560 NZ LYS A 99 6.146 6.813 -5.943 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.099 2.112 -8.362 1.00 73.11 H new ATOM 0 HA LYS A 99 8.732 2.982 -9.066 1.00 1.31 H new ATOM 0 HB2 LYS A 99 7.059 2.794 -6.619 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.796 2.882 -6.406 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.338 5.152 -6.514 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.587 4.848 -8.222 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.265 4.866 -8.705 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.813 4.512 -7.049 1.00 1.10 H new ATOM 0 HE2 LYS A 99 7.249 7.103 -7.724 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.517 6.966 -7.957 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 5.215 7.254 -5.798 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 6.184 5.909 -5.430 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 6.889 7.446 -5.584 1.00 12.44 H new ATOM 1573 N LYS A 100 8.378 -0.084 -8.388 1.00 63.15 N ATOM 1574 CA LYS A 100 9.059 -1.362 -8.255 1.00 72.41 C ATOM 1575 C LYS A 100 9.036 -2.088 -9.601 1.00 64.54 C ATOM 1576 O LYS A 100 9.678 -3.125 -9.762 1.00 30.00 O ATOM 1577 CB LYS A 100 8.453 -2.174 -7.108 1.00 4.54 C ATOM 1578 CG LYS A 100 8.368 -1.337 -5.830 1.00 42.24 C ATOM 1579 CD LYS A 100 9.712 -1.314 -5.099 1.00 15.32 C ATOM 1580 CE LYS A 100 9.518 -1.077 -3.600 1.00 64.41 C ATOM 1581 NZ LYS A 100 8.677 0.119 -3.370 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.385 -0.150 -8.610 1.00 63.15 H new ATOM 0 HA LYS A 100 10.106 -1.212 -7.991 1.00 72.41 H new ATOM 0 HB2 LYS A 100 7.458 -2.519 -7.388 1.00 4.54 H new ATOM 0 HB3 LYS A 100 9.059 -3.062 -6.926 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.067 -0.319 -6.077 1.00 42.24 H new ATOM 0 HG3 LYS A 100 7.600 -1.746 -5.174 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.232 -2.259 -5.257 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.343 -0.529 -5.516 1.00 15.32 H new ATOM 0 HE2 LYS A 100 9.051 -1.950 -3.145 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.487 -0.946 -3.118 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 8.760 0.416 -2.377 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 8.994 0.891 -3.990 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 7.684 -0.109 -3.581 1.00 13.11 H new ATOM 1594 N ALA A 101 8.292 -1.514 -10.535 1.00 71.41 N ATOM 1595 CA ALA A 101 8.178 -2.094 -11.863 1.00 62.32 C ATOM 1596 C ALA A 101 9.108 -1.348 -12.822 1.00 15.30 C ATOM 1597 O ALA A 101 10.168 -1.855 -13.185 1.00 73.54 O ATOM 1598 CB ALA A 101 6.718 -2.050 -12.315 1.00 63.13 C ATOM 0 H ALA A 101 7.762 -0.653 -10.399 1.00 71.41 H new ATOM 0 HA ALA A 101 8.485 -3.140 -11.853 1.00 62.32 H new ATOM 0 HB1 ALA A 101 6.632 -2.485 -13.311 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.104 -2.618 -11.617 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.376 -1.015 -12.340 1.00 63.13 H new ATOM 1604 N THR A 102 8.677 -0.155 -13.205 1.00 2.02 N ATOM 1605 CA THR A 102 9.458 0.665 -14.115 1.00 71.34 C ATOM 1606 C THR A 102 10.813 1.011 -13.493 1.00 12.43 C ATOM 1607 O THR A 102 11.714 1.481 -14.184 1.00 41.24 O ATOM 1608 CB THR A 102 8.623 1.896 -14.475 1.00 15.35 C ATOM 1609 OG1 THR A 102 9.577 2.825 -14.984 1.00 54.52 O ATOM 1610 CG2 THR A 102 8.045 2.594 -13.242 1.00 62.44 C ATOM 0 H THR A 102 7.797 0.263 -12.902 1.00 2.02 H new ATOM 0 HA THR A 102 9.686 0.127 -15.035 1.00 71.34 H new ATOM 0 HB THR A 102 7.810 1.601 -15.139 1.00 15.35 H new ATOM 0 HG1 THR A 102 10.442 2.378 -15.094 1.00 54.52 H new ATOM 0 HG21 THR A 102 7.462 3.460 -13.554 1.00 62.44 H new ATOM 0 HG22 THR A 102 7.403 1.901 -12.699 1.00 62.44 H new ATOM 0 HG23 THR A 102 8.858 2.919 -12.593 1.00 62.44 H new ATOM 1618 N ASN A 103 10.911 0.764 -12.195 1.00 4.21 N ATOM 1619 CA ASN A 103 12.141 1.043 -11.472 1.00 22.31 C ATOM 1620 C ASN A 103 13.120 -0.115 -11.674 1.00 72.30 C ATOM 1621 O ASN A 103 14.275 0.100 -12.039 1.00 23.40 O ATOM 1622 CB ASN A 103 11.878 1.183 -9.972 1.00 0.14 C ATOM 1623 CG ASN A 103 13.161 1.548 -9.222 1.00 54.24 C ATOM 1624 OD1 ASN A 103 13.914 0.698 -8.778 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.366 2.856 -9.106 1.00 60.01 N ATOM 0 H ASN A 103 10.160 0.374 -11.625 1.00 4.21 H new ATOM 0 HA ASN A 103 12.553 1.977 -11.855 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.122 1.950 -9.802 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.477 0.248 -9.581 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.195 3.201 -8.622 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.695 3.514 -9.501 1.00 60.01 H new ATOM 1632 N GLU A 104 12.623 -1.318 -11.428 1.00 33.11 N ATOM 1633 CA GLU A 104 13.439 -2.510 -11.578 1.00 43.24 C ATOM 1634 C GLU A 104 13.561 -2.888 -13.057 1.00 2.51 C ATOM 1635 O GLU A 104 14.575 -3.441 -13.478 1.00 22.34 O ATOM 1636 CB GLU A 104 12.870 -3.671 -10.761 1.00 32.13 C ATOM 1637 CG GLU A 104 12.534 -3.226 -9.336 1.00 20.34 C ATOM 1638 CD GLU A 104 12.094 -4.415 -8.479 1.00 3.30 C ATOM 1639 OE1 GLU A 104 10.957 -4.891 -8.615 1.00 3.03 O ATOM 1640 OE2 GLU A 104 12.983 -4.847 -7.649 1.00 64.02 O1- ATOM 0 H GLU A 104 11.665 -1.493 -11.126 1.00 33.11 H new ATOM 0 HA GLU A 104 14.436 -2.294 -11.195 1.00 43.24 H new ATOM 0 HB2 GLU A 104 11.973 -4.057 -11.246 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.592 -4.487 -10.730 1.00 32.13 H new ATOM 0 HG2 GLU A 104 13.405 -2.751 -8.885 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.741 -2.479 -9.362 1.00 20.34 H new TER 1648 GLU A 104 HETATM 1649 FE HEC A 500 -1.803 6.494 -19.585 1.00 71.04 FE HETATM 1650 CHA HEC A 500 -0.311 9.417 -20.680 1.00 72.53 C HETATM 1651 CHB HEC A 500 -0.210 6.808 -16.565 1.00 20.13 C HETATM 1652 CHC HEC A 500 -3.856 4.097 -18.433 1.00 71.13 C HETATM 1653 CHD HEC A 500 -2.982 5.982 -22.834 1.00 64.24 C HETATM 1654 NA HEC A 500 -0.556 7.900 -18.749 1.00 31.31 N HETATM 1655 C1A HEC A 500 -0.094 9.000 -19.386 1.00 11.23 C HETATM 1656 C2A HEC A 500 0.802 9.682 -18.503 1.00 11.44 C HETATM 1657 C3A HEC A 500 0.864 8.959 -17.336 1.00 60.30 C HETATM 1658 C4A HEC A 500 0.007 7.807 -17.513 1.00 22.22 C HETATM 1659 CMA HEC A 500 1.631 9.345 -16.097 1.00 33.41 C HETATM 1660 CAA HEC A 500 1.635 10.870 -18.895 1.00 41.22 C HETATM 1661 CBA HEC A 500 2.803 10.528 -19.822 1.00 51.34 C HETATM 1662 CGA HEC A 500 2.460 9.314 -20.670 1.00 30.41 C HETATM 1663 O1A HEC A 500 2.033 9.518 -21.825 1.00 2.34 O HETATM 1664 O2A HEC A 500 2.711 8.193 -20.172 1.00 70.54 O HETATM 1665 NB HEC A 500 -1.936 5.554 -17.847 1.00 12.31 N HETATM 1666 C1B HEC A 500 -1.165 5.802 -16.750 1.00 45.44 C HETATM 1667 C2B HEC A 500 -1.526 4.823 -15.756 1.00 54.04 C HETATM 1668 C3B HEC A 500 -2.644 4.161 -16.221 1.00 54.24 C HETATM 1669 C4B HEC A 500 -2.866 4.603 -17.579 1.00 43.12 C HETATM 1670 CMB HEC A 500 -0.792 4.576 -14.464 1.00 63.04 C HETATM 1671 CAB HEC A 500 -3.463 3.114 -15.496 1.00 62.05 C HETATM 1672 CBB HEC A 500 -3.680 3.365 -14.002 1.00 3.42 C HETATM 1673 NC HEC A 500 -3.157 5.222 -20.490 1.00 51.30 N HETATM 1674 C1C HEC A 500 -3.878 4.314 -19.805 1.00 22.43 C HETATM 1675 C2C HEC A 500 -4.637 3.539 -20.764 1.00 32.31 C HETATM 1676 C3C HEC A 500 -4.273 3.980 -22.019 1.00 23.12 C HETATM 1677 C4C HEC A 500 -3.430 5.138 -21.822 1.00 64.52 C HETATM 1678 CMC HEC A 500 -5.485 2.325 -20.462 1.00 61.32 C HETATM 1679 CAC HEC A 500 -4.592 3.330 -23.359 1.00 60.14 C HETATM 1680 CBC HEC A 500 -6.084 3.306 -23.711 1.00 75.24 C HETATM 1681 ND HEC A 500 -1.647 7.507 -21.430 1.00 1.32 N HETATM 1682 C1D HEC A 500 -2.185 7.095 -22.607 1.00 53.21 C HETATM 1683 C2D HEC A 500 -1.810 8.059 -23.617 1.00 41.41 C HETATM 1684 C3D HEC A 500 -1.104 9.053 -22.986 1.00 64.12 C HETATM 1685 C4D HEC A 500 -0.990 8.674 -21.608 1.00 4.05 C HETATM 1686 CMD HEC A 500 -2.152 8.022 -25.082 1.00 55.10 C HETATM 1687 CAD HEC A 500 -0.663 10.360 -23.597 1.00 73.33 C HETATM 1688 CBD HEC A 500 -1.690 11.461 -23.343 1.00 42.42 C HETATM 1689 CGD HEC A 500 -2.063 11.570 -21.879 1.00 43.31 C HETATM 1690 O1D HEC A 500 -1.703 12.589 -21.258 1.00 34.31 O HETATM 1691 O2D HEC A 500 -2.686 10.617 -21.372 1.00 23.53 O HETATM 0 HMD3 HEC A 500 -1.746 7.114 -25.528 1.00 55.10 H new HETATM 0 HMD2 HEC A 500 -3.235 8.033 -25.203 1.00 55.10 H new HETATM 0 HMD1 HEC A 500 -1.723 8.893 -25.578 1.00 55.10 H new HETATM 0 HMC3 HEC A 500 -4.861 1.545 -20.025 1.00 61.32 H new HETATM 0 HMC2 HEC A 500 -6.272 2.597 -19.759 1.00 61.32 H new HETATM 0 HMC1 HEC A 500 -5.934 1.956 -21.384 1.00 61.32 H new HETATM 0 HMB3 HEC A 500 0.235 4.283 -14.680 1.00 63.04 H new HETATM 0 HMB2 HEC A 500 -0.791 5.487 -13.866 1.00 63.04 H new HETATM 0 HMB1 HEC A 500 -1.288 3.779 -13.910 1.00 63.04 H new HETATM 0 HMA3 HEC A 500 2.690 9.433 -16.338 1.00 33.41 H new HETATM 0 HMA2 HEC A 500 1.263 10.301 -15.724 1.00 33.41 H new HETATM 0 HMA1 HEC A 500 1.495 8.581 -15.332 1.00 33.41 H new HETATM 0 HBD2 HEC A 500 -1.289 12.415 -23.686 1.00 42.42 H new HETATM 0 HBD1 HEC A 500 -2.586 11.262 -23.931 1.00 42.42 H new HETATM 0 HBC3 HEC A 500 -6.629 2.748 -22.949 1.00 75.24 H new HETATM 0 HBC2 HEC A 500 -6.464 4.327 -23.754 1.00 75.24 H new HETATM 0 HBC1 HEC A 500 -6.222 2.826 -24.680 1.00 75.24 H new HETATM 0 HBB3 HEC A 500 -2.715 3.405 -13.496 1.00 3.42 H new HETATM 0 HBB2 HEC A 500 -4.201 4.312 -13.864 1.00 3.42 H new HETATM 0 HBB1 HEC A 500 -4.278 2.557 -13.580 1.00 3.42 H new HETATM 0 HBA2 HEC A 500 3.028 11.379 -20.465 1.00 51.34 H new HETATM 0 HBA1 HEC A 500 3.698 10.329 -19.233 1.00 51.34 H new HETATM 0 HAD2 HEC A 500 0.300 10.654 -23.179 1.00 73.33 H new HETATM 0 HAD1 HEC A 500 -0.519 10.233 -24.670 1.00 73.33 H new HETATM 0 HAA2 HEC A 500 0.996 11.603 -19.387 1.00 41.22 H new HETATM 0 HAA1 HEC A 500 2.025 11.341 -17.993 1.00 41.22 H new HETATM 0 HHD HEC A 500 -3.273 5.757 -23.860 1.00 64.24 H new HETATM 0 HHC HEC A 500 -4.655 3.499 -17.995 1.00 71.13 H new HETATM 0 HHB HEC A 500 0.383 6.811 -15.651 1.00 20.13 H new HETATM 0 HHA HEC A 500 0.078 10.390 -20.981 1.00 72.53 H new HETATM 0 H2A HEC A 500 2.937 8.299 -19.224 1.00 70.54 H new