USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 747 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 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 95 TYR OH : rot -39:sc= 1.24 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.01 K(o=2.3,f=-0.51) USER MOD Set 2.1: A 50 MET CE :methyl 155:sc= -0.0386 (180deg=-0.098) USER MOD Set 2.2: A 76 THR OG1 : rot 67:sc= 0.00241 USER MOD Set 2.3: A 101 HEC O2D : rot 165:sc= 0.00242 USER MOD Set 3.1: A 46 TYR OH : rot -110:sc= 0 USER MOD Set 3.2: A 101 HEC O2A : rot -76:sc= 0.785 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.23 (180deg=0.974) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0.457 (180deg=0.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.21 K(o=0.21,f=-1.2) USER MOD Single : A 31 ASN : amide:sc= 1.1 K(o=1.1,f=-0.41) USER MOD Single : A 37 THR OG1 : rot -29:sc= 1.29 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 65:sc= 1.62 USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= 0.276 (180deg=0.253) USER MOD Single : A 53 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.0123 X(o=0.012,f=0) USER MOD Single : A 67 THR OG1 : rot 53:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= 0.343 K(o=0.34,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.377) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 0.0515 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0.601 (180deg=-0.638) USER MOD Single : A 91 ASN : amide:sc= 1.07 K(o=1.1,f=-4.6!) USER MOD Single : A 100 GLN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.020 -2.725 -3.149 1.00 0.00 N ATOM 2 CA MET A 1 4.193 -3.048 -1.949 1.00 0.00 C ATOM 3 C MET A 1 2.769 -2.403 -1.864 1.00 0.00 C ATOM 4 O MET A 1 1.920 -2.960 -1.160 1.00 0.00 O ATOM 5 CB MET A 1 5.008 -2.798 -0.647 1.00 0.00 C ATOM 6 CG MET A 1 6.083 -3.855 -0.308 1.00 0.00 C ATOM 7 SD MET A 1 7.434 -3.865 -1.509 1.00 0.00 S ATOM 8 CE MET A 1 8.460 -2.517 -0.892 1.00 0.00 C ATOM 0 H1 MET A 1 6.009 -2.994 -2.972 1.00 0.00 H new ATOM 0 H2 MET A 1 4.660 -3.251 -3.971 1.00 0.00 H new ATOM 0 H3 MET A 1 4.968 -1.704 -3.342 1.00 0.00 H new ATOM 0 HA MET A 1 3.967 -4.108 -2.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.495 -1.826 -0.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.311 -2.737 0.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.484 -3.657 0.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.622 -4.842 -0.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.334 -2.403 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.885 -1.591 -0.894 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.782 -2.741 0.125 1.00 0.00 H new ATOM 19 N ALA A 2 2.514 -1.268 -2.539 1.00 0.00 N ATOM 20 CA ALA A 2 1.210 -0.553 -2.508 1.00 0.00 C ATOM 21 C ALA A 2 0.548 -0.487 -3.926 1.00 0.00 C ATOM 22 O ALA A 2 0.723 0.473 -4.684 1.00 0.00 O ATOM 23 CB ALA A 2 1.496 0.833 -1.893 1.00 0.00 C ATOM 0 H ALA A 2 3.209 -0.811 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 2 0.475 -1.082 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.571 1.407 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.900 0.709 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.220 1.363 -2.512 1.00 0.00 H new ATOM 29 N ASP A 3 -0.209 -1.535 -4.284 1.00 0.00 N ATOM 30 CA ASP A 3 -0.806 -1.711 -5.634 1.00 0.00 C ATOM 31 C ASP A 3 -2.357 -1.440 -5.617 1.00 0.00 C ATOM 32 O ASP A 3 -3.075 -2.212 -4.970 1.00 0.00 O ATOM 33 CB ASP A 3 -0.451 -3.158 -6.072 1.00 0.00 C ATOM 34 CG ASP A 3 -0.822 -3.488 -7.516 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.952 -3.810 -7.871 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.234 -3.368 -8.366 1.00 0.00 O ATOM 0 H ASP A 3 -0.431 -2.297 -3.644 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.408 -0.991 -6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.620 -3.312 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.958 -3.860 -5.410 1.00 0.00 H new ATOM 41 N PRO A 4 -2.931 -0.430 -6.340 1.00 0.00 N ATOM 42 CA PRO A 4 -4.405 -0.209 -6.371 1.00 0.00 C ATOM 43 C PRO A 4 -5.304 -1.225 -7.152 1.00 0.00 C ATOM 44 O PRO A 4 -6.474 -1.373 -6.794 1.00 0.00 O ATOM 45 CB PRO A 4 -4.522 1.239 -6.876 1.00 0.00 C ATOM 46 CG PRO A 4 -3.210 1.598 -7.562 1.00 0.00 C ATOM 47 CD PRO A 4 -2.162 0.598 -7.065 1.00 0.00 C ATOM 0 HA PRO A 4 -4.821 -0.386 -5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.356 1.335 -7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.718 1.919 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.313 1.543 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.915 2.619 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.606 0.163 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.434 1.080 -6.412 1.00 0.00 H new ATOM 55 N ALA A 5 -4.787 -1.950 -8.164 1.00 0.00 N ATOM 56 CA ALA A 5 -5.493 -3.120 -8.766 1.00 0.00 C ATOM 57 C ALA A 5 -5.695 -4.344 -7.806 1.00 0.00 C ATOM 58 O ALA A 5 -6.820 -4.835 -7.676 1.00 0.00 O ATOM 59 CB ALA A 5 -4.749 -3.487 -10.064 1.00 0.00 C ATOM 0 H ALA A 5 -3.881 -1.752 -8.589 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.521 -2.828 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.237 -4.341 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.767 -2.637 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.715 -3.743 -9.831 1.00 0.00 H new ATOM 65 N ALA A 6 -4.650 -4.780 -7.071 1.00 0.00 N ATOM 66 CA ALA A 6 -4.827 -5.612 -5.847 1.00 0.00 C ATOM 67 C ALA A 6 -5.678 -4.972 -4.694 1.00 0.00 C ATOM 68 O ALA A 6 -6.495 -5.669 -4.091 1.00 0.00 O ATOM 69 CB ALA A 6 -3.422 -6.023 -5.375 1.00 0.00 C ATOM 0 H ALA A 6 -3.677 -4.574 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.433 -6.476 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.505 -6.636 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.927 -6.594 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.837 -5.130 -5.152 1.00 0.00 H new ATOM 75 N GLY A 7 -5.543 -3.659 -4.428 1.00 0.00 N ATOM 76 CA GLY A 7 -6.472 -2.897 -3.548 1.00 0.00 C ATOM 77 C GLY A 7 -7.983 -2.902 -3.860 1.00 0.00 C ATOM 78 O GLY A 7 -8.778 -3.018 -2.930 1.00 0.00 O ATOM 0 H GLY A 7 -4.789 -3.090 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.346 -3.275 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.142 -1.858 -3.545 1.00 0.00 H new ATOM 82 N GLU A 8 -8.378 -2.823 -5.140 1.00 0.00 N ATOM 83 CA GLU A 8 -9.758 -3.162 -5.604 1.00 0.00 C ATOM 84 C GLU A 8 -10.259 -4.596 -5.200 1.00 0.00 C ATOM 85 O GLU A 8 -11.359 -4.730 -4.660 1.00 0.00 O ATOM 86 CB GLU A 8 -9.782 -2.893 -7.137 1.00 0.00 C ATOM 87 CG GLU A 8 -11.173 -2.872 -7.825 1.00 0.00 C ATOM 88 CD GLU A 8 -11.763 -4.249 -8.136 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.257 -5.050 -8.915 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.908 -4.495 -7.443 1.00 0.00 O ATOM 0 H GLU A 8 -7.759 -2.523 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.483 -2.531 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.298 -1.934 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.174 -3.655 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.870 -2.331 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.093 -2.310 -8.755 1.00 0.00 H new ATOM 97 N LYS A 9 -9.441 -5.646 -5.409 1.00 0.00 N ATOM 98 CA LYS A 9 -9.694 -7.012 -4.860 1.00 0.00 C ATOM 99 C LYS A 9 -9.774 -7.110 -3.292 1.00 0.00 C ATOM 100 O LYS A 9 -10.714 -7.723 -2.779 1.00 0.00 O ATOM 101 CB LYS A 9 -8.656 -8.009 -5.450 1.00 0.00 C ATOM 102 CG LYS A 9 -8.642 -8.134 -6.996 1.00 0.00 C ATOM 103 CD LYS A 9 -7.779 -9.290 -7.543 1.00 0.00 C ATOM 104 CE LYS A 9 -6.264 -9.050 -7.424 1.00 0.00 C ATOM 105 NZ LYS A 9 -5.525 -10.189 -8.003 1.00 0.00 N ATOM 0 H LYS A 9 -8.585 -5.582 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.700 -7.282 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.662 -7.707 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.846 -8.995 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.666 -8.267 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.280 -7.197 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.035 -10.205 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.030 -9.452 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.992 -8.129 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.989 -8.922 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.503 -10.019 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.774 -11.060 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.777 -10.292 -9.007 1.00 0.00 H new ATOM 118 N VAL A 10 -8.860 -6.470 -2.527 1.00 0.00 N ATOM 119 CA VAL A 10 -9.015 -6.276 -1.041 1.00 0.00 C ATOM 120 C VAL A 10 -10.312 -5.469 -0.640 1.00 0.00 C ATOM 121 O VAL A 10 -11.017 -5.879 0.287 1.00 0.00 O ATOM 122 CB VAL A 10 -7.707 -5.698 -0.382 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.759 -5.657 1.167 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.404 -6.465 -0.716 1.00 0.00 C ATOM 0 H VAL A 10 -7.999 -6.073 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.164 -7.272 -0.624 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.680 -4.699 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.825 -5.248 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.590 -5.028 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.899 -6.667 1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.562 -5.988 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.492 -7.497 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.240 -6.451 -1.793 1.00 0.00 H new ATOM 134 N PHE A 11 -10.666 -4.380 -1.357 1.00 0.00 N ATOM 135 CA PHE A 11 -11.996 -3.704 -1.248 1.00 0.00 C ATOM 136 C PHE A 11 -13.278 -4.578 -1.526 1.00 0.00 C ATOM 137 O PHE A 11 -14.362 -4.191 -1.084 1.00 0.00 O ATOM 138 CB PHE A 11 -11.927 -2.415 -2.123 1.00 0.00 C ATOM 139 CG PHE A 11 -12.969 -1.331 -1.794 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.229 -1.354 -2.401 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.668 -0.314 -0.881 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.191 -0.406 -2.062 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.627 0.644 -0.559 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.894 0.586 -1.134 1.00 0.00 C ATOM 0 H PHE A 11 -10.042 -3.937 -2.032 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.152 -3.470 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.933 -1.981 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.044 -2.700 -3.168 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.457 -2.111 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.690 -0.272 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.168 -0.441 -2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.387 1.433 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.646 1.311 -0.859 1.00 0.00 H new ATOM 154 N GLY A 12 -13.175 -5.782 -2.130 1.00 0.00 N ATOM 155 CA GLY A 12 -14.176 -6.878 -1.963 1.00 0.00 C ATOM 156 C GLY A 12 -14.766 -7.158 -0.550 1.00 0.00 C ATOM 157 O GLY A 12 -15.976 -7.348 -0.418 1.00 0.00 O ATOM 0 H GLY A 12 -12.401 -6.029 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.011 -6.665 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.714 -7.801 -2.315 1.00 0.00 H new ATOM 161 N LYS A 13 -13.925 -7.126 0.498 1.00 0.00 N ATOM 162 CA LYS A 13 -14.389 -7.088 1.920 1.00 0.00 C ATOM 163 C LYS A 13 -15.136 -5.793 2.400 1.00 0.00 C ATOM 164 O LYS A 13 -15.975 -5.872 3.300 1.00 0.00 O ATOM 165 CB LYS A 13 -13.158 -7.390 2.824 1.00 0.00 C ATOM 166 CG LYS A 13 -12.675 -8.863 2.796 1.00 0.00 C ATOM 167 CD LYS A 13 -11.281 -9.092 3.424 1.00 0.00 C ATOM 168 CE LYS A 13 -10.076 -8.650 2.568 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.882 -9.522 1.390 1.00 0.00 N ATOM 0 H LYS A 13 -12.910 -7.125 0.398 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.170 -7.844 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.333 -6.746 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.406 -7.123 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.403 -9.481 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.654 -9.206 1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.241 -8.561 4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.174 -10.154 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.224 -7.622 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.174 -8.661 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.062 -9.189 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.715 -10.499 1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.732 -9.492 0.792 1.00 0.00 H new ATOM 182 N CYS A 14 -14.833 -4.623 1.822 1.00 0.00 N ATOM 183 CA CYS A 14 -15.517 -3.339 2.137 1.00 0.00 C ATOM 184 C CYS A 14 -16.855 -3.082 1.362 1.00 0.00 C ATOM 185 O CYS A 14 -17.823 -2.621 1.974 1.00 0.00 O ATOM 186 CB CYS A 14 -14.511 -2.186 1.909 1.00 0.00 C ATOM 187 SG CYS A 14 -12.803 -2.576 2.387 1.00 0.00 S ATOM 0 H CYS A 14 -14.103 -4.529 1.116 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.830 -3.396 3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.526 -1.910 0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.843 -1.314 2.472 1.00 0.00 H new ATOM 192 N LYS A 15 -16.918 -3.364 0.041 1.00 0.00 N ATOM 193 CA LYS A 15 -18.114 -3.098 -0.818 1.00 0.00 C ATOM 194 C LYS A 15 -19.499 -3.719 -0.434 1.00 0.00 C ATOM 195 O LYS A 15 -20.531 -3.140 -0.781 1.00 0.00 O ATOM 196 CB LYS A 15 -17.755 -3.345 -2.308 1.00 0.00 C ATOM 197 CG LYS A 15 -17.475 -4.806 -2.739 1.00 0.00 C ATOM 198 CD LYS A 15 -17.184 -4.989 -4.244 1.00 0.00 C ATOM 199 CE LYS A 15 -15.875 -4.341 -4.728 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.643 -4.662 -6.149 1.00 0.00 N ATOM 0 H LYS A 15 -16.142 -3.785 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.323 -2.047 -0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.573 -2.964 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.874 -2.749 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.625 -5.182 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.334 -5.421 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.150 -6.055 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.013 -4.571 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.925 -3.260 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.040 -4.698 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.634 -4.542 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.923 -5.646 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.208 -4.024 -6.746 1.00 0.00 H new ATOM 213 N ALA A 16 -19.539 -4.842 0.309 1.00 0.00 N ATOM 214 CA ALA A 16 -20.774 -5.304 1.004 1.00 0.00 C ATOM 215 C ALA A 16 -21.448 -4.299 2.007 1.00 0.00 C ATOM 216 O ALA A 16 -22.678 -4.254 2.077 1.00 0.00 O ATOM 217 CB ALA A 16 -20.408 -6.638 1.685 1.00 0.00 C ATOM 0 H ALA A 16 -18.734 -5.452 0.448 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.556 -5.407 0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.278 -7.028 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.090 -7.357 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.597 -6.474 2.394 1.00 0.00 H new ATOM 223 N CYS A 17 -20.661 -3.500 2.754 1.00 0.00 N ATOM 224 CA CYS A 17 -21.184 -2.384 3.587 1.00 0.00 C ATOM 225 C CYS A 17 -21.042 -0.938 2.984 1.00 0.00 C ATOM 226 O CYS A 17 -21.929 -0.108 3.208 1.00 0.00 O ATOM 227 CB CYS A 17 -20.478 -2.477 4.955 1.00 0.00 C ATOM 228 SG CYS A 17 -20.609 -4.127 5.715 1.00 0.00 S ATOM 0 H CYS A 17 -19.647 -3.604 2.801 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.264 -2.514 3.655 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.425 -2.223 4.832 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.908 -1.737 5.630 1.00 0.00 H new ATOM 233 N HIS A 18 -19.928 -0.616 2.293 1.00 0.00 N ATOM 234 CA HIS A 18 -19.541 0.768 1.909 1.00 0.00 C ATOM 235 C HIS A 18 -19.604 0.982 0.368 1.00 0.00 C ATOM 236 O HIS A 18 -19.031 0.225 -0.420 1.00 0.00 O ATOM 237 CB HIS A 18 -18.081 1.007 2.368 1.00 0.00 C ATOM 238 CG HIS A 18 -17.905 1.282 3.852 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.902 2.551 4.366 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.471 0.373 4.814 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.376 2.329 5.593 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.158 1.020 6.015 1.00 0.00 N ATOM 0 H HIS A 18 -19.258 -1.318 1.979 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.237 1.461 2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.487 0.132 2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.675 1.849 1.808 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.212 3.425 3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.387 -0.692 4.654 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.128 3.159 6.238 1.00 0.00 H new ATOM 250 N LYS A 19 -20.255 2.071 -0.052 1.00 0.00 N ATOM 251 CA LYS A 19 -20.610 2.287 -1.484 1.00 0.00 C ATOM 252 C LYS A 19 -19.842 3.515 -2.070 1.00 0.00 C ATOM 253 O LYS A 19 -20.161 4.670 -1.773 1.00 0.00 O ATOM 254 CB LYS A 19 -22.152 2.450 -1.604 1.00 0.00 C ATOM 255 CG LYS A 19 -23.005 1.232 -1.158 1.00 0.00 C ATOM 256 CD LYS A 19 -24.496 1.577 -0.988 1.00 0.00 C ATOM 257 CE LYS A 19 -25.313 0.387 -0.463 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.712 0.800 -0.238 1.00 0.00 N ATOM 0 H LYS A 19 -20.553 2.824 0.568 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.306 1.422 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.453 3.314 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.393 2.676 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.903 0.434 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.616 0.848 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.596 2.416 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.903 1.900 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.277 -0.434 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.879 0.018 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.260 -0.009 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.739 1.570 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -27.125 1.131 -1.133 1.00 0.00 H new ATOM 271 N LEU A 20 -18.859 3.269 -2.957 1.00 0.00 N ATOM 272 CA LEU A 20 -18.117 4.348 -3.690 1.00 0.00 C ATOM 273 C LEU A 20 -18.960 5.324 -4.583 1.00 0.00 C ATOM 274 O LEU A 20 -18.537 6.467 -4.769 1.00 0.00 O ATOM 275 CB LEU A 20 -16.994 3.695 -4.550 1.00 0.00 C ATOM 276 CG LEU A 20 -15.851 2.951 -3.809 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.975 2.190 -4.816 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.961 3.893 -2.981 1.00 0.00 C ATOM 0 H LEU A 20 -18.548 2.327 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.729 4.992 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.465 2.988 -5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.543 4.477 -5.161 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.330 2.258 -3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.176 1.672 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.585 1.463 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.541 2.894 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.180 3.315 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.504 4.633 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.567 4.400 -2.231 1.00 0.00 H new ATOM 290 N ASP A 21 -20.133 4.928 -5.117 1.00 0.00 N ATOM 291 CA ASP A 21 -20.989 5.823 -5.957 1.00 0.00 C ATOM 292 C ASP A 21 -21.993 6.694 -5.116 1.00 0.00 C ATOM 293 O ASP A 21 -23.206 6.667 -5.339 1.00 0.00 O ATOM 294 CB ASP A 21 -21.688 4.951 -7.042 1.00 0.00 C ATOM 295 CG ASP A 21 -20.766 4.298 -8.075 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.451 5.144 -9.100 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.360 3.143 -7.978 1.00 0.00 O ATOM 0 H ASP A 21 -20.519 3.993 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.357 6.564 -6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.252 4.165 -6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.410 5.574 -7.571 1.00 0.00 H new ATOM 302 N GLY A 22 -21.475 7.495 -4.163 1.00 0.00 N ATOM 303 CA GLY A 22 -22.280 8.477 -3.374 1.00 0.00 C ATOM 304 C GLY A 22 -23.514 8.012 -2.562 1.00 0.00 C ATOM 305 O GLY A 22 -24.501 8.744 -2.501 1.00 0.00 O ATOM 0 H GLY A 22 -20.487 7.487 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.599 8.962 -2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.623 9.244 -4.069 1.00 0.00 H new ATOM 309 N ASN A 23 -23.457 6.825 -1.939 1.00 0.00 N ATOM 310 CA ASN A 23 -24.598 6.245 -1.178 1.00 0.00 C ATOM 311 C ASN A 23 -24.146 5.836 0.260 1.00 0.00 C ATOM 312 O ASN A 23 -23.089 5.227 0.460 1.00 0.00 O ATOM 313 CB ASN A 23 -25.180 5.037 -1.966 1.00 0.00 C ATOM 314 CG ASN A 23 -26.190 5.392 -3.061 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.395 5.406 -2.838 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.768 5.675 -4.269 1.00 0.00 N ATOM 0 H ASN A 23 -22.626 6.234 -1.942 1.00 0.00 H new ATOM 0 HA ASN A 23 -25.383 6.993 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.354 4.490 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.660 4.361 -1.259 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.439 5.902 -5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.769 5.669 -4.475 1.00 0.00 H new ATOM 323 N ASP A 24 -24.977 6.161 1.263 1.00 0.00 N ATOM 324 CA ASP A 24 -24.683 5.870 2.694 1.00 0.00 C ATOM 325 C ASP A 24 -25.644 4.741 3.184 1.00 0.00 C ATOM 326 O ASP A 24 -26.832 4.993 3.410 1.00 0.00 O ATOM 327 CB ASP A 24 -24.817 7.181 3.524 1.00 0.00 C ATOM 328 CG ASP A 24 -23.937 8.375 3.129 1.00 0.00 C ATOM 329 OD1 ASP A 24 -22.681 8.008 2.752 1.00 0.00 O ATOM 330 OD2 ASP A 24 -24.333 9.536 3.125 1.00 0.00 O ATOM 0 H ASP A 24 -25.870 6.631 1.116 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.661 5.513 2.824 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.857 7.502 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.606 6.940 4.566 1.00 0.00 H new ATOM 335 N GLY A 25 -25.144 3.497 3.297 1.00 0.00 N ATOM 336 CA GLY A 25 -26.004 2.313 3.584 1.00 0.00 C ATOM 337 C GLY A 25 -25.739 1.689 4.965 1.00 0.00 C ATOM 338 O GLY A 25 -26.134 2.250 5.989 1.00 0.00 O ATOM 0 H GLY A 25 -24.153 3.276 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.051 2.610 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.840 1.559 2.815 1.00 0.00 H new ATOM 342 N VAL A 26 -25.058 0.534 4.990 1.00 0.00 N ATOM 343 CA VAL A 26 -24.545 -0.073 6.266 1.00 0.00 C ATOM 344 C VAL A 26 -23.303 0.723 6.803 1.00 0.00 C ATOM 345 O VAL A 26 -23.332 1.167 7.952 1.00 0.00 O ATOM 346 CB VAL A 26 -24.305 -1.618 6.126 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.768 -2.287 7.416 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.561 -2.417 5.702 1.00 0.00 C ATOM 0 H VAL A 26 -24.841 -0.010 4.155 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.317 0.021 7.029 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.553 -1.662 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.627 -3.354 7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.815 -1.835 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.484 -2.143 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.311 -3.475 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.347 -2.281 6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.911 -2.058 4.734 1.00 0.00 H new ATOM 358 N GLY A 27 -22.252 0.925 5.986 1.00 0.00 N ATOM 359 CA GLY A 27 -21.275 2.019 6.206 1.00 0.00 C ATOM 360 C GLY A 27 -21.454 3.252 5.263 1.00 0.00 C ATOM 361 O GLY A 27 -22.160 3.157 4.249 1.00 0.00 O ATOM 0 H GLY A 27 -22.054 0.349 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.353 2.355 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.269 1.621 6.075 1.00 0.00 H new ATOM 365 N PRO A 28 -20.807 4.426 5.521 1.00 0.00 N ATOM 366 CA PRO A 28 -20.860 5.597 4.596 1.00 0.00 C ATOM 367 C PRO A 28 -20.122 5.405 3.230 1.00 0.00 C ATOM 368 O PRO A 28 -19.347 4.466 3.030 1.00 0.00 O ATOM 369 CB PRO A 28 -20.222 6.699 5.472 1.00 0.00 C ATOM 370 CG PRO A 28 -19.267 5.961 6.408 1.00 0.00 C ATOM 371 CD PRO A 28 -20.012 4.675 6.741 1.00 0.00 C ATOM 0 HA PRO A 28 -21.872 5.810 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.690 7.429 4.862 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.980 7.245 6.033 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.311 5.757 5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.054 6.544 7.304 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.326 3.854 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.647 4.792 7.619 1.00 0.00 H new ATOM 379 N HIS A 29 -20.309 6.341 2.289 1.00 0.00 N ATOM 380 CA HIS A 29 -19.552 6.345 1.006 1.00 0.00 C ATOM 381 C HIS A 29 -18.011 6.558 1.195 1.00 0.00 C ATOM 382 O HIS A 29 -17.587 7.557 1.786 1.00 0.00 O ATOM 383 CB HIS A 29 -20.207 7.339 0.006 1.00 0.00 C ATOM 384 CG HIS A 29 -20.202 8.841 0.324 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.320 9.534 0.770 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.144 9.729 0.063 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.821 10.812 0.720 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.524 11.027 0.339 1.00 0.00 N ATOM 0 H HIS A 29 -20.974 7.109 2.382 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.621 5.349 0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.714 7.207 -0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.246 7.036 -0.124 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -22.240 9.194 1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.171 9.437 -0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.452 11.648 0.981 1.00 0.00 H new ATOM 396 N LEU A 30 -17.167 5.632 0.703 1.00 0.00 N ATOM 397 CA LEU A 30 -15.675 5.786 0.783 1.00 0.00 C ATOM 398 C LEU A 30 -14.984 6.586 -0.381 1.00 0.00 C ATOM 399 O LEU A 30 -13.752 6.653 -0.403 1.00 0.00 O ATOM 400 CB LEU A 30 -15.013 4.399 1.051 1.00 0.00 C ATOM 401 CG LEU A 30 -15.267 3.752 2.441 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.680 2.333 2.507 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.702 4.557 3.626 1.00 0.00 C ATOM 0 H LEU A 30 -17.474 4.772 0.248 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.498 6.446 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.360 3.705 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.936 4.507 0.919 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.352 3.733 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.873 1.905 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.146 1.711 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.605 2.376 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.922 4.036 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.623 4.660 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.160 5.546 3.646 1.00 0.00 H new ATOM 415 N ASN A 31 -15.725 7.277 -1.278 1.00 0.00 N ATOM 416 CA ASN A 31 -15.132 8.295 -2.193 1.00 0.00 C ATOM 417 C ASN A 31 -14.636 9.566 -1.417 1.00 0.00 C ATOM 418 O ASN A 31 -15.328 10.076 -0.526 1.00 0.00 O ATOM 419 CB ASN A 31 -16.082 8.607 -3.381 1.00 0.00 C ATOM 420 CG ASN A 31 -17.347 9.438 -3.114 1.00 0.00 C ATOM 421 OD1 ASN A 31 -17.314 10.582 -2.677 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.510 8.928 -3.407 1.00 0.00 N ATOM 0 H ASN A 31 -16.731 7.153 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.233 7.869 -2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.500 9.126 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.396 7.656 -3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.357 9.479 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.573 7.978 -3.773 1.00 0.00 H new ATOM 429 N GLY A 32 -13.418 10.036 -1.709 1.00 0.00 N ATOM 430 CA GLY A 32 -12.809 11.175 -0.960 1.00 0.00 C ATOM 431 C GLY A 32 -12.166 10.921 0.426 1.00 0.00 C ATOM 432 O GLY A 32 -11.732 11.892 1.044 1.00 0.00 O ATOM 0 H GLY A 32 -12.827 9.659 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.043 11.614 -1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.584 11.930 -0.827 1.00 0.00 H new ATOM 436 N VAL A 33 -12.100 9.675 0.931 1.00 0.00 N ATOM 437 CA VAL A 33 -11.769 9.383 2.363 1.00 0.00 C ATOM 438 C VAL A 33 -10.317 9.703 2.871 1.00 0.00 C ATOM 439 O VAL A 33 -10.172 10.063 4.043 1.00 0.00 O ATOM 440 CB VAL A 33 -12.286 7.952 2.739 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.465 6.796 2.129 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.403 7.730 4.266 1.00 0.00 C ATOM 0 H VAL A 33 -12.271 8.839 0.373 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.314 10.134 2.936 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.281 7.926 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.892 5.843 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.489 6.867 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.433 6.861 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.766 6.721 4.460 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.424 7.859 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.101 8.454 4.686 1.00 0.00 H new ATOM 452 N VAL A 34 -9.257 9.586 2.047 1.00 0.00 N ATOM 453 CA VAL A 34 -7.849 9.848 2.492 1.00 0.00 C ATOM 454 C VAL A 34 -7.633 11.392 2.678 1.00 0.00 C ATOM 455 O VAL A 34 -7.676 12.160 1.713 1.00 0.00 O ATOM 456 CB VAL A 34 -6.787 9.185 1.545 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.344 9.321 2.088 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.018 7.677 1.291 1.00 0.00 C ATOM 0 H VAL A 34 -9.336 9.313 1.068 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.695 9.370 3.459 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.913 9.734 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.649 8.846 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.091 10.376 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.275 8.836 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.241 7.297 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.982 7.139 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.994 7.531 0.828 1.00 0.00 H new ATOM 468 N GLY A 35 -7.459 11.830 3.937 1.00 0.00 N ATOM 469 CA GLY A 35 -7.595 13.267 4.316 1.00 0.00 C ATOM 470 C GLY A 35 -8.973 13.787 4.815 1.00 0.00 C ATOM 471 O GLY A 35 -9.053 14.960 5.181 1.00 0.00 O ATOM 0 H GLY A 35 -7.223 11.217 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.863 13.472 5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.312 13.864 3.449 1.00 0.00 H new ATOM 475 N ARG A 36 -10.041 12.969 4.844 1.00 0.00 N ATOM 476 CA ARG A 36 -11.417 13.427 5.187 1.00 0.00 C ATOM 477 C ARG A 36 -11.694 13.400 6.718 1.00 0.00 C ATOM 478 O ARG A 36 -11.234 12.509 7.437 1.00 0.00 O ATOM 479 CB ARG A 36 -12.402 12.510 4.415 1.00 0.00 C ATOM 480 CG ARG A 36 -13.889 12.951 4.407 1.00 0.00 C ATOM 481 CD ARG A 36 -14.791 12.095 3.498 1.00 0.00 C ATOM 482 NE ARG A 36 -15.097 10.769 4.108 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.777 9.796 3.504 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.154 9.836 2.255 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.098 8.737 4.184 1.00 0.00 N ATOM 0 H ARG A 36 -9.984 11.973 4.632 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.543 14.470 4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.062 12.435 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.344 11.509 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.275 12.911 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.947 13.991 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.721 12.629 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.301 11.947 2.536 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.762 10.595 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.929 10.648 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.673 9.055 1.854 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.829 8.660 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.619 7.982 3.737 1.00 0.00 H new ATOM 499 N THR A 37 -12.504 14.352 7.204 1.00 0.00 N ATOM 500 CA THR A 37 -12.828 14.490 8.652 1.00 0.00 C ATOM 501 C THR A 37 -13.534 13.236 9.274 1.00 0.00 C ATOM 502 O THR A 37 -14.412 12.609 8.668 1.00 0.00 O ATOM 503 CB THR A 37 -13.596 15.835 8.840 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.825 16.924 8.328 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.922 16.207 10.296 1.00 0.00 C ATOM 0 H THR A 37 -12.957 15.051 6.616 1.00 0.00 H new ATOM 0 HA THR A 37 -11.905 14.529 9.230 1.00 0.00 H new ATOM 0 HB THR A 37 -14.532 15.673 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.871 16.710 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.456 17.157 10.318 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.545 15.430 10.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.996 16.297 10.864 1.00 0.00 H new ATOM 513 N VAL A 38 -13.121 12.876 10.501 1.00 0.00 N ATOM 514 CA VAL A 38 -13.692 11.725 11.262 1.00 0.00 C ATOM 515 C VAL A 38 -15.154 12.064 11.721 1.00 0.00 C ATOM 516 O VAL A 38 -15.401 13.103 12.341 1.00 0.00 O ATOM 517 CB VAL A 38 -12.736 11.352 12.444 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.265 10.218 13.345 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.307 10.926 12.022 1.00 0.00 C ATOM 0 H VAL A 38 -12.382 13.368 11.003 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.765 10.842 10.627 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.697 12.297 12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.546 10.019 14.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.217 10.516 13.784 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.406 9.316 12.749 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.721 10.688 12.910 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.364 10.048 11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.829 11.742 11.480 1.00 0.00 H new ATOM 529 N ALA A 39 -16.118 11.200 11.347 1.00 0.00 N ATOM 530 CA ALA A 39 -17.574 11.544 11.327 1.00 0.00 C ATOM 531 C ALA A 39 -18.065 12.650 10.315 1.00 0.00 C ATOM 532 O ALA A 39 -19.198 13.130 10.423 1.00 0.00 O ATOM 533 CB ALA A 39 -18.124 11.703 12.765 1.00 0.00 C ATOM 0 H ALA A 39 -15.922 10.244 11.049 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.040 10.671 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.184 11.953 12.724 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.993 10.768 13.310 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.583 12.500 13.275 1.00 0.00 H new ATOM 539 N GLY A 40 -17.277 13.001 9.278 1.00 0.00 N ATOM 540 CA GLY A 40 -17.614 14.077 8.308 1.00 0.00 C ATOM 541 C GLY A 40 -18.304 13.621 7.006 1.00 0.00 C ATOM 542 O GLY A 40 -17.827 13.913 5.908 1.00 0.00 O ATOM 0 H GLY A 40 -16.384 12.547 9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.262 14.798 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.696 14.602 8.045 1.00 0.00 H new ATOM 546 N VAL A 41 -19.449 12.943 7.150 1.00 0.00 N ATOM 547 CA VAL A 41 -20.388 12.665 6.018 1.00 0.00 C ATOM 548 C VAL A 41 -21.820 13.057 6.507 1.00 0.00 C ATOM 549 O VAL A 41 -22.470 12.297 7.234 1.00 0.00 O ATOM 550 CB VAL A 41 -20.300 11.192 5.478 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.312 10.889 4.350 1.00 0.00 C ATOM 552 CG2 VAL A 41 -18.906 10.818 4.924 1.00 0.00 C ATOM 0 H VAL A 41 -19.764 12.566 8.044 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.110 13.264 5.151 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.527 10.598 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.196 9.855 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.326 11.041 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.129 11.557 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.920 9.787 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.652 11.483 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.161 10.920 5.714 1.00 0.00 H new ATOM 562 N ASP A 42 -22.329 14.220 6.056 1.00 0.00 N ATOM 563 CA ASP A 42 -23.730 14.656 6.331 1.00 0.00 C ATOM 564 C ASP A 42 -24.738 13.827 5.468 1.00 0.00 C ATOM 565 O ASP A 42 -24.801 13.968 4.243 1.00 0.00 O ATOM 566 CB ASP A 42 -23.868 16.179 6.071 1.00 0.00 C ATOM 567 CG ASP A 42 -23.096 17.077 7.038 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.767 17.278 8.205 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.994 17.556 6.792 1.00 0.00 O ATOM 0 H ASP A 42 -21.795 14.884 5.496 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.968 14.471 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.531 16.390 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.924 16.445 6.118 1.00 0.00 H new ATOM 574 N GLY A 43 -25.458 12.905 6.121 1.00 0.00 N ATOM 575 CA GLY A 43 -26.083 11.748 5.423 1.00 0.00 C ATOM 576 C GLY A 43 -26.054 10.430 6.226 1.00 0.00 C ATOM 577 O GLY A 43 -27.091 9.777 6.357 1.00 0.00 O ATOM 0 H GLY A 43 -25.628 12.928 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.119 11.995 5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.572 11.592 4.473 1.00 0.00 H new ATOM 581 N PHE A 44 -24.881 10.030 6.751 1.00 0.00 N ATOM 582 CA PHE A 44 -24.758 8.830 7.621 1.00 0.00 C ATOM 583 C PHE A 44 -24.900 9.184 9.142 1.00 0.00 C ATOM 584 O PHE A 44 -24.264 10.115 9.648 1.00 0.00 O ATOM 585 CB PHE A 44 -23.400 8.149 7.286 1.00 0.00 C ATOM 586 CG PHE A 44 -23.238 6.753 7.909 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.830 5.633 7.313 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.590 6.610 9.140 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.786 4.396 7.946 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.554 5.374 9.777 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.148 4.267 9.176 1.00 0.00 C ATOM 0 H PHE A 44 -23.999 10.517 6.591 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.575 8.136 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.302 8.068 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.588 8.788 7.633 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.323 5.730 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.115 7.464 9.599 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.247 3.536 7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.067 5.273 10.735 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.113 3.305 9.666 1.00 0.00 H new ATOM 601 N ASN A 45 -25.683 8.377 9.883 1.00 0.00 N ATOM 602 CA ASN A 45 -25.794 8.493 11.363 1.00 0.00 C ATOM 603 C ASN A 45 -24.600 7.778 12.086 1.00 0.00 C ATOM 604 O ASN A 45 -24.630 6.567 12.328 1.00 0.00 O ATOM 605 CB ASN A 45 -27.187 7.929 11.754 1.00 0.00 C ATOM 606 CG ASN A 45 -27.602 8.180 13.198 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.132 9.227 13.552 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.384 7.243 14.078 1.00 0.00 N ATOM 0 H ASN A 45 -26.254 7.631 9.485 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.723 9.531 11.689 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.937 8.366 11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.191 6.854 11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.654 7.385 15.051 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.944 6.368 13.793 1.00 0.00 H new ATOM 615 N TYR A 46 -23.557 8.546 12.439 1.00 0.00 N ATOM 616 CA TYR A 46 -22.325 7.998 13.068 1.00 0.00 C ATOM 617 C TYR A 46 -22.461 7.621 14.579 1.00 0.00 C ATOM 618 O TYR A 46 -23.245 8.199 15.339 1.00 0.00 O ATOM 619 CB TYR A 46 -21.168 9.023 12.862 1.00 0.00 C ATOM 620 CG TYR A 46 -20.552 9.022 11.457 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.601 8.055 11.111 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.930 9.983 10.515 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.026 8.060 9.844 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.351 9.987 9.250 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.389 9.036 8.918 1.00 0.00 C ATOM 626 OH TYR A 46 -18.760 9.083 7.704 1.00 0.00 O ATOM 0 H TYR A 46 -23.534 9.556 12.302 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.116 7.051 12.571 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.544 10.023 13.078 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.382 8.814 13.588 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.313 7.302 11.830 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.673 10.724 10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.298 7.307 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.648 10.729 8.524 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.190 9.879 7.662 1.00 0.00 H new ATOM 636 N SER A 47 -21.609 6.676 15.015 1.00 0.00 N ATOM 637 CA SER A 47 -21.471 6.295 16.447 1.00 0.00 C ATOM 638 C SER A 47 -20.868 7.437 17.326 1.00 0.00 C ATOM 639 O SER A 47 -19.988 8.192 16.893 1.00 0.00 O ATOM 640 CB SER A 47 -20.569 5.038 16.555 1.00 0.00 C ATOM 641 OG SER A 47 -21.023 3.953 15.748 1.00 0.00 O ATOM 0 H SER A 47 -20.995 6.151 14.392 1.00 0.00 H new ATOM 0 HA SER A 47 -22.473 6.093 16.825 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.553 5.301 16.261 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.527 4.716 17.596 1.00 0.00 H new ATOM 0 HG SER A 47 -20.960 4.200 14.802 1.00 0.00 H new ATOM 647 N ASP A 48 -21.315 7.528 18.589 1.00 0.00 N ATOM 648 CA ASP A 48 -20.833 8.574 19.542 1.00 0.00 C ATOM 649 C ASP A 48 -19.283 8.572 19.826 1.00 0.00 C ATOM 650 O ASP A 48 -18.707 9.662 19.734 1.00 0.00 O ATOM 651 CB ASP A 48 -21.683 8.620 20.841 1.00 0.00 C ATOM 652 CG ASP A 48 -23.207 8.729 20.705 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.623 9.877 20.088 1.00 0.00 O ATOM 654 OD2 ASP A 48 -23.966 7.856 21.116 1.00 0.00 O ATOM 0 H ASP A 48 -22.010 6.895 18.986 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.992 9.513 19.012 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.463 7.720 21.415 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.340 9.468 21.434 1.00 0.00 H new ATOM 659 N PRO A 49 -18.547 7.446 20.081 1.00 0.00 N ATOM 660 CA PRO A 49 -17.054 7.437 20.107 1.00 0.00 C ATOM 661 C PRO A 49 -16.272 7.826 18.812 1.00 0.00 C ATOM 662 O PRO A 49 -15.168 8.360 18.920 1.00 0.00 O ATOM 663 CB PRO A 49 -16.735 6.011 20.595 1.00 0.00 C ATOM 664 CG PRO A 49 -18.011 5.549 21.298 1.00 0.00 C ATOM 665 CD PRO A 49 -19.124 6.137 20.443 1.00 0.00 C ATOM 0 HA PRO A 49 -16.701 8.246 20.746 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.481 5.355 19.763 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.884 6.006 21.276 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.072 4.462 21.344 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.058 5.914 22.324 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.337 5.525 19.567 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.058 6.238 20.996 1.00 0.00 H new ATOM 673 N MET A 50 -16.834 7.615 17.605 1.00 0.00 N ATOM 674 CA MET A 50 -16.320 8.254 16.354 1.00 0.00 C ATOM 675 C MET A 50 -16.410 9.822 16.345 1.00 0.00 C ATOM 676 O MET A 50 -15.422 10.493 16.032 1.00 0.00 O ATOM 677 CB MET A 50 -17.044 7.589 15.151 1.00 0.00 C ATOM 678 CG MET A 50 -16.429 7.894 13.769 1.00 0.00 C ATOM 679 SD MET A 50 -14.770 7.196 13.639 1.00 0.00 S ATOM 680 CE MET A 50 -15.139 5.511 13.127 1.00 0.00 C ATOM 0 H MET A 50 -17.642 7.010 17.459 1.00 0.00 H new ATOM 0 HA MET A 50 -15.247 8.077 16.284 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.047 6.509 15.300 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.085 7.913 15.148 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.064 7.483 12.984 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.388 8.972 13.614 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.284 5.098 12.591 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.346 4.901 14.006 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.011 5.512 12.473 1.00 0.00 H new ATOM 690 N LYS A 51 -17.565 10.390 16.740 1.00 0.00 N ATOM 691 CA LYS A 51 -17.722 11.855 16.983 1.00 0.00 C ATOM 692 C LYS A 51 -16.820 12.435 18.130 1.00 0.00 C ATOM 693 O LYS A 51 -16.166 13.458 17.919 1.00 0.00 O ATOM 694 CB LYS A 51 -19.225 12.168 17.234 1.00 0.00 C ATOM 695 CG LYS A 51 -20.195 11.871 16.062 1.00 0.00 C ATOM 696 CD LYS A 51 -21.664 12.295 16.288 1.00 0.00 C ATOM 697 CE LYS A 51 -22.462 11.483 17.328 1.00 0.00 C ATOM 698 NZ LYS A 51 -22.231 11.978 18.702 1.00 0.00 N ATOM 0 H LYS A 51 -18.419 9.857 16.902 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.369 12.361 16.084 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.553 11.596 18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.316 13.223 17.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.823 12.375 15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.172 10.801 15.857 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.674 13.342 16.592 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.187 12.235 15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.525 11.539 17.095 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.177 10.433 17.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.325 11.191 19.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.274 12.379 18.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.931 12.713 18.929 1.00 0.00 H new ATOM 711 N ALA A 52 -16.758 11.787 19.314 1.00 0.00 N ATOM 712 CA ALA A 52 -15.817 12.174 20.407 1.00 0.00 C ATOM 713 C ALA A 52 -14.280 11.993 20.173 1.00 0.00 C ATOM 714 O ALA A 52 -13.485 12.739 20.750 1.00 0.00 O ATOM 715 CB ALA A 52 -16.296 11.443 21.675 1.00 0.00 C ATOM 0 H ALA A 52 -17.349 10.988 19.545 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.869 13.260 20.481 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.639 11.692 22.509 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.314 11.752 21.910 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.274 10.367 21.505 1.00 0.00 H new ATOM 721 N HIS A 53 -13.867 11.052 19.311 1.00 0.00 N ATOM 722 CA HIS A 53 -12.490 10.995 18.743 1.00 0.00 C ATOM 723 C HIS A 53 -12.130 12.239 17.858 1.00 0.00 C ATOM 724 O HIS A 53 -11.217 12.988 18.219 1.00 0.00 O ATOM 725 CB HIS A 53 -12.334 9.603 18.056 1.00 0.00 C ATOM 726 CG HIS A 53 -11.038 9.330 17.280 1.00 0.00 C ATOM 727 ND1 HIS A 53 -9.769 9.767 17.640 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.004 8.721 16.017 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.084 9.412 16.505 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.727 8.752 15.492 1.00 0.00 N ATOM 0 H HIS A 53 -14.473 10.301 18.980 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.740 11.072 19.530 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -12.432 8.837 18.825 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.170 9.473 17.369 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.860 8.287 15.522 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.036 9.654 16.411 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.368 8.390 14.609 1.00 0.00 H new ATOM 738 N GLY A 54 -12.809 12.454 16.714 1.00 0.00 N ATOM 739 CA GLY A 54 -12.460 13.566 15.789 1.00 0.00 C ATOM 740 C GLY A 54 -11.126 13.422 15.007 1.00 0.00 C ATOM 741 O GLY A 54 -10.518 12.350 14.935 1.00 0.00 O ATOM 0 H GLY A 54 -13.595 11.882 16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.269 13.676 15.067 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.420 14.490 16.366 1.00 0.00 H new ATOM 745 N GLY A 55 -10.702 14.524 14.372 1.00 0.00 N ATOM 746 CA GLY A 55 -9.510 14.521 13.478 1.00 0.00 C ATOM 747 C GLY A 55 -9.822 14.304 11.977 1.00 0.00 C ATOM 748 O GLY A 55 -10.926 14.584 11.502 1.00 0.00 O ATOM 0 H GLY A 55 -11.158 15.433 14.453 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.986 15.470 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.827 13.738 13.809 1.00 0.00 H new ATOM 752 N ASP A 56 -8.823 13.822 11.218 1.00 0.00 N ATOM 753 CA ASP A 56 -8.986 13.508 9.763 1.00 0.00 C ATOM 754 C ASP A 56 -8.312 12.144 9.397 1.00 0.00 C ATOM 755 O ASP A 56 -7.325 11.721 10.011 1.00 0.00 O ATOM 756 CB ASP A 56 -8.442 14.662 8.872 1.00 0.00 C ATOM 757 CG ASP A 56 -9.170 16.008 8.997 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.193 16.298 8.380 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.557 16.836 9.893 1.00 0.00 O ATOM 0 H ASP A 56 -7.886 13.636 11.577 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.054 13.412 9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.390 14.816 9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.486 14.343 7.831 1.00 0.00 H new ATOM 764 N TRP A 57 -8.841 11.458 8.367 1.00 0.00 N ATOM 765 CA TRP A 57 -8.409 10.080 7.996 1.00 0.00 C ATOM 766 C TRP A 57 -7.116 10.046 7.123 1.00 0.00 C ATOM 767 O TRP A 57 -7.136 9.830 5.908 1.00 0.00 O ATOM 768 CB TRP A 57 -9.604 9.329 7.338 1.00 0.00 C ATOM 769 CG TRP A 57 -10.664 8.786 8.307 1.00 0.00 C ATOM 770 CD1 TRP A 57 -12.007 9.210 8.376 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.518 7.841 9.313 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.708 8.544 9.399 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.765 7.712 9.973 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.380 7.135 9.790 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.880 6.906 11.127 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.518 6.344 10.930 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.747 6.238 11.594 1.00 0.00 C ATOM 0 H TRP A 57 -9.576 11.832 7.766 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.124 9.557 8.909 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.092 10.005 6.636 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.210 8.496 6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.443 9.953 7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.689 8.651 9.658 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.430 7.210 9.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.826 6.808 11.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.663 5.804 11.308 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.819 5.629 12.483 1.00 0.00 H new ATOM 788 N THR A 58 -5.973 10.212 7.794 1.00 0.00 N ATOM 789 CA THR A 58 -4.617 10.091 7.183 1.00 0.00 C ATOM 790 C THR A 58 -4.197 8.597 6.907 1.00 0.00 C ATOM 791 O THR A 58 -4.732 7.698 7.571 1.00 0.00 O ATOM 792 CB THR A 58 -3.588 10.822 8.111 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.576 10.270 9.423 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.806 12.340 8.259 1.00 0.00 C ATOM 0 H THR A 58 -5.947 10.437 8.789 1.00 0.00 H new ATOM 0 HA THR A 58 -4.634 10.566 6.202 1.00 0.00 H new ATOM 0 HB THR A 58 -2.638 10.665 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.922 10.749 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.044 12.754 8.920 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.735 12.815 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.793 12.526 8.682 1.00 0.00 H new ATOM 802 N PRO A 59 -3.235 8.252 5.992 1.00 0.00 N ATOM 803 CA PRO A 59 -2.743 6.844 5.821 1.00 0.00 C ATOM 804 C PRO A 59 -2.249 6.084 7.096 1.00 0.00 C ATOM 805 O PRO A 59 -2.624 4.932 7.323 1.00 0.00 O ATOM 806 CB PRO A 59 -1.656 7.004 4.739 1.00 0.00 C ATOM 807 CG PRO A 59 -1.259 8.480 4.737 1.00 0.00 C ATOM 808 CD PRO A 59 -2.545 9.216 5.108 1.00 0.00 C ATOM 0 HA PRO A 59 -3.567 6.183 5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.796 6.371 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.034 6.703 3.762 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.465 8.679 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.890 8.792 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.339 10.157 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.142 9.455 4.228 1.00 0.00 H new ATOM 816 N GLU A 60 -1.455 6.764 7.934 1.00 0.00 N ATOM 817 CA GLU A 60 -1.161 6.347 9.340 1.00 0.00 C ATOM 818 C GLU A 60 -2.385 6.051 10.285 1.00 0.00 C ATOM 819 O GLU A 60 -2.374 5.034 10.987 1.00 0.00 O ATOM 820 CB GLU A 60 -0.114 7.319 9.951 1.00 0.00 C ATOM 821 CG GLU A 60 -0.596 8.764 10.237 1.00 0.00 C ATOM 822 CD GLU A 60 0.496 9.719 10.710 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.816 9.527 12.024 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.012 10.563 9.984 1.00 0.00 O ATOM 0 H GLU A 60 -0.987 7.630 7.666 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.741 5.344 9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.247 6.889 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.739 7.371 9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.046 9.169 9.330 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.380 8.728 10.993 1.00 0.00 H new ATOM 831 N ALA A 61 -3.429 6.902 10.305 1.00 0.00 N ATOM 832 CA ALA A 61 -4.710 6.604 11.008 1.00 0.00 C ATOM 833 C ALA A 61 -5.577 5.465 10.374 1.00 0.00 C ATOM 834 O ALA A 61 -6.032 4.576 11.101 1.00 0.00 O ATOM 835 CB ALA A 61 -5.482 7.933 11.125 1.00 0.00 C ATOM 0 H ALA A 61 -3.418 7.810 9.841 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.470 6.194 11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.429 7.760 11.635 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.889 8.649 11.694 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.674 8.331 10.129 1.00 0.00 H new ATOM 841 N LEU A 62 -5.771 5.460 9.040 1.00 0.00 N ATOM 842 CA LEU A 62 -6.437 4.347 8.302 1.00 0.00 C ATOM 843 C LEU A 62 -5.774 2.939 8.461 1.00 0.00 C ATOM 844 O LEU A 62 -6.494 1.986 8.758 1.00 0.00 O ATOM 845 CB LEU A 62 -6.569 4.740 6.799 1.00 0.00 C ATOM 846 CG LEU A 62 -7.588 5.859 6.448 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.344 6.387 5.026 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.044 5.370 6.560 1.00 0.00 C ATOM 0 H LEU A 62 -5.473 6.225 8.435 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.418 4.225 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.587 5.053 6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.841 3.846 6.238 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.437 6.660 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.068 7.170 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.335 6.794 4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.455 5.572 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.722 6.185 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.202 4.538 5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.240 5.040 7.580 1.00 0.00 H new ATOM 860 N GLN A 63 -4.440 2.779 8.312 1.00 0.00 N ATOM 861 CA GLN A 63 -3.752 1.477 8.587 1.00 0.00 C ATOM 862 C GLN A 63 -3.833 0.936 10.059 1.00 0.00 C ATOM 863 O GLN A 63 -3.996 -0.270 10.263 1.00 0.00 O ATOM 864 CB GLN A 63 -2.314 1.505 8.004 1.00 0.00 C ATOM 865 CG GLN A 63 -1.253 2.304 8.801 1.00 0.00 C ATOM 866 CD GLN A 63 0.103 2.413 8.107 1.00 0.00 C ATOM 867 OE1 GLN A 63 1.012 1.623 8.335 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.281 3.384 7.243 1.00 0.00 N ATOM 0 H GLN A 63 -3.814 3.523 8.006 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.332 0.720 8.059 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.965 0.477 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.364 1.918 6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.635 3.308 8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.114 1.831 9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.475 4.042 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.175 3.481 6.762 1.00 0.00 H new ATOM 877 N GLU A 64 -3.761 1.817 11.073 1.00 0.00 N ATOM 878 CA GLU A 64 -4.108 1.480 12.483 1.00 0.00 C ATOM 879 C GLU A 64 -5.604 1.054 12.677 1.00 0.00 C ATOM 880 O GLU A 64 -5.860 -0.051 13.166 1.00 0.00 O ATOM 881 CB GLU A 64 -3.706 2.682 13.385 1.00 0.00 C ATOM 882 CG GLU A 64 -2.183 2.949 13.497 1.00 0.00 C ATOM 883 CD GLU A 64 -1.844 4.223 14.264 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.873 5.332 13.464 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.579 4.239 15.463 1.00 0.00 O ATOM 0 H GLU A 64 -3.462 2.784 10.948 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.544 0.595 12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.188 3.581 13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.102 2.512 14.386 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.709 2.100 13.990 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.759 3.014 12.495 1.00 0.00 H new ATOM 892 N PHE A 65 -6.582 1.886 12.263 1.00 0.00 N ATOM 893 CA PHE A 65 -8.026 1.527 12.261 1.00 0.00 C ATOM 894 C PHE A 65 -8.424 0.251 11.445 1.00 0.00 C ATOM 895 O PHE A 65 -9.208 -0.552 11.943 1.00 0.00 O ATOM 896 CB PHE A 65 -8.763 2.814 11.803 1.00 0.00 C ATOM 897 CG PHE A 65 -10.297 2.749 11.866 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.958 2.819 13.098 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.045 2.601 10.694 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.346 2.732 13.155 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.433 2.517 10.756 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.083 2.577 11.984 1.00 0.00 C ATOM 0 H PHE A 65 -6.398 2.829 11.919 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.323 1.213 13.262 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.425 3.646 12.421 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.467 3.037 10.778 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.389 2.941 14.008 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.545 2.552 9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.851 2.785 14.108 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.007 2.405 9.848 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.160 2.503 12.029 1.00 0.00 H new ATOM 912 N LEU A 66 -7.889 0.021 10.237 1.00 0.00 N ATOM 913 CA LEU A 66 -8.070 -1.275 9.515 1.00 0.00 C ATOM 914 C LEU A 66 -7.245 -2.494 10.061 1.00 0.00 C ATOM 915 O LEU A 66 -7.572 -3.627 9.708 1.00 0.00 O ATOM 916 CB LEU A 66 -7.811 -1.049 7.998 1.00 0.00 C ATOM 917 CG LEU A 66 -8.713 -0.018 7.264 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.235 0.163 5.815 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.202 -0.401 7.287 1.00 0.00 C ATOM 0 H LEU A 66 -7.327 0.705 9.730 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.102 -1.574 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.774 -0.736 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.916 -2.009 7.492 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.622 0.924 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.873 0.887 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.206 0.523 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.286 -0.793 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.781 0.357 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.337 -1.366 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.545 -0.466 8.320 1.00 0.00 H new ATOM 931 N THR A 67 -6.235 -2.306 10.937 1.00 0.00 N ATOM 932 CA THR A 67 -5.658 -3.410 11.767 1.00 0.00 C ATOM 933 C THR A 67 -6.667 -3.931 12.853 1.00 0.00 C ATOM 934 O THR A 67 -6.945 -5.131 12.875 1.00 0.00 O ATOM 935 CB THR A 67 -4.278 -2.988 12.368 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.400 -2.490 11.364 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.511 -4.144 13.032 1.00 0.00 C ATOM 0 H THR A 67 -5.794 -1.400 11.095 1.00 0.00 H new ATOM 0 HA THR A 67 -5.476 -4.261 11.111 1.00 0.00 H new ATOM 0 HB THR A 67 -4.540 -2.232 13.108 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.849 -1.779 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.564 -3.774 13.425 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.107 -4.555 13.847 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.318 -4.923 12.295 1.00 0.00 H new ATOM 945 N ASN A 68 -7.217 -3.061 13.728 1.00 0.00 N ATOM 946 CA ASN A 68 -8.364 -3.420 14.611 1.00 0.00 C ATOM 947 C ASN A 68 -9.263 -2.146 14.824 1.00 0.00 C ATOM 948 O ASN A 68 -8.858 -1.270 15.603 1.00 0.00 O ATOM 949 CB ASN A 68 -7.851 -4.053 15.935 1.00 0.00 C ATOM 950 CG ASN A 68 -8.944 -4.640 16.846 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.026 -4.091 17.035 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.693 -5.759 17.479 1.00 0.00 N ATOM 0 H ASN A 68 -6.889 -2.102 13.847 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.989 -4.181 14.144 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.141 -4.843 15.690 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.303 -3.294 16.494 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.389 -6.154 18.111 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.802 -6.235 17.340 1.00 0.00 H new ATOM 959 N PRO A 69 -10.479 -1.996 14.214 1.00 0.00 N ATOM 960 CA PRO A 69 -11.312 -0.772 14.394 1.00 0.00 C ATOM 961 C PRO A 69 -11.991 -0.569 15.785 1.00 0.00 C ATOM 962 O PRO A 69 -12.084 0.571 16.248 1.00 0.00 O ATOM 963 CB PRO A 69 -12.286 -0.828 13.203 1.00 0.00 C ATOM 964 CG PRO A 69 -12.298 -2.270 12.702 1.00 0.00 C ATOM 965 CD PRO A 69 -10.990 -2.907 13.170 1.00 0.00 C ATOM 0 HA PRO A 69 -10.687 0.121 14.398 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.285 -0.517 13.508 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.968 -0.148 12.413 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.156 -2.811 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.377 -2.302 11.615 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.157 -3.909 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.281 -3.004 12.348 1.00 0.00 H new ATOM 973 N LYS A 70 -12.414 -1.655 16.457 1.00 0.00 N ATOM 974 CA LYS A 70 -12.897 -1.619 17.869 1.00 0.00 C ATOM 975 C LYS A 70 -11.838 -1.219 18.950 1.00 0.00 C ATOM 976 O LYS A 70 -12.168 -0.497 19.892 1.00 0.00 O ATOM 977 CB LYS A 70 -13.570 -2.972 18.244 1.00 0.00 C ATOM 978 CG LYS A 70 -14.839 -3.408 17.466 1.00 0.00 C ATOM 979 CD LYS A 70 -14.557 -4.218 16.179 1.00 0.00 C ATOM 980 CE LYS A 70 -15.800 -4.879 15.558 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.230 -6.079 16.302 1.00 0.00 N ATOM 0 H LYS A 70 -12.435 -2.588 16.045 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.622 -0.805 17.887 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.823 -3.757 18.127 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.827 -2.932 19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.467 -4.006 18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.411 -2.519 17.202 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.105 -3.557 15.440 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.824 -4.992 16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.617 -4.158 15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.585 -5.153 14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.070 -6.488 15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.461 -6.780 16.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.462 -5.816 17.281 1.00 0.00 H new ATOM 994 N ALA A 71 -10.584 -1.676 18.816 1.00 0.00 N ATOM 995 CA ALA A 71 -9.446 -1.184 19.641 1.00 0.00 C ATOM 996 C ALA A 71 -9.018 0.305 19.410 1.00 0.00 C ATOM 997 O ALA A 71 -8.758 1.009 20.389 1.00 0.00 O ATOM 998 CB ALA A 71 -8.275 -2.161 19.431 1.00 0.00 C ATOM 0 H ALA A 71 -10.320 -2.393 18.140 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.780 -1.166 20.678 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.418 -1.834 20.021 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.574 -3.160 19.748 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.003 -2.181 18.376 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.958 0.794 18.153 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.686 2.237 17.851 1.00 0.00 C ATOM 1006 C VAL A 72 -9.881 3.173 18.252 1.00 0.00 C ATOM 1007 O VAL A 72 -9.669 4.107 19.029 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.186 2.410 16.370 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.976 3.881 15.930 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.847 1.685 16.099 1.00 0.00 C ATOM 0 H VAL A 72 -9.093 0.218 17.322 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.867 2.573 18.487 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.000 1.969 15.795 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.631 3.906 14.896 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.918 4.423 16.011 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.231 4.350 16.572 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.553 1.840 15.061 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.077 2.085 16.758 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.967 0.618 16.286 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.106 2.951 17.735 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.304 3.751 18.132 1.00 0.00 C ATOM 1022 C VAL A 73 -13.167 2.852 19.077 1.00 0.00 C ATOM 1023 O VAL A 73 -13.933 1.993 18.622 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.067 4.304 16.880 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.285 5.172 17.268 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.192 5.177 15.948 1.00 0.00 C ATOM 0 H VAL A 73 -11.302 2.228 17.042 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.022 4.651 18.679 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.376 3.400 16.356 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.779 5.531 16.365 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.986 4.575 17.852 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.951 6.023 17.861 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.791 5.522 15.105 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.816 6.037 16.502 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.353 4.587 15.580 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.035 3.060 20.402 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.662 2.178 21.426 1.00 0.00 C ATOM 1038 C LYS A 74 -15.208 2.388 21.534 1.00 0.00 C ATOM 1039 O LYS A 74 -15.688 3.369 22.107 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.895 2.399 22.758 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.230 1.376 23.870 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.382 1.499 25.157 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.745 2.650 26.118 1.00 0.00 C ATOM 1044 NZ LYS A 74 -12.117 3.927 25.722 1.00 0.00 N ATOM 0 H LYS A 74 -12.499 3.833 20.797 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.573 1.131 21.137 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.824 2.360 22.557 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.114 3.401 23.126 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.282 1.484 24.136 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.105 0.371 23.466 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.458 0.560 25.706 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.338 1.614 24.867 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.828 2.772 26.143 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.430 2.390 27.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.019 4.539 26.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.177 3.741 25.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.712 4.401 25.013 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.969 1.455 20.940 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.426 1.639 20.692 1.00 0.00 C ATOM 1059 C GLY A 75 -17.864 2.204 19.315 1.00 0.00 C ATOM 1060 O GLY A 75 -18.914 2.845 19.233 1.00 0.00 O ATOM 0 H GLY A 75 -15.606 0.558 20.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.912 0.673 20.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.815 2.302 21.464 1.00 0.00 H new ATOM 1064 N THR A 76 -17.129 1.908 18.229 1.00 0.00 N ATOM 1065 CA THR A 76 -17.625 2.087 16.832 1.00 0.00 C ATOM 1066 C THR A 76 -18.566 0.919 16.392 1.00 0.00 C ATOM 1067 O THR A 76 -18.228 -0.258 16.565 1.00 0.00 O ATOM 1068 CB THR A 76 -16.422 2.279 15.853 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.899 2.638 14.565 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.467 1.090 15.631 1.00 0.00 C ATOM 0 H THR A 76 -16.179 1.540 18.282 1.00 0.00 H new ATOM 0 HA THR A 76 -18.232 2.991 16.798 1.00 0.00 H new ATOM 0 HB THR A 76 -15.840 3.047 16.362 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.307 3.528 14.604 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.685 1.377 14.928 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.014 0.805 16.581 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.025 0.245 15.228 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.707 1.224 15.744 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.582 0.171 15.133 1.00 0.00 C ATOM 1080 C LYS A 77 -20.092 -0.504 13.793 1.00 0.00 C ATOM 1081 O LYS A 77 -20.867 -1.222 13.154 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.037 0.724 15.082 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.389 1.677 13.915 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.736 2.401 14.119 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.181 3.258 12.921 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.730 2.424 11.833 1.00 0.00 N ATOM 0 H LYS A 77 -20.053 2.176 15.624 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.526 -0.699 15.788 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.720 -0.125 15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.232 1.248 16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.597 2.418 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.425 1.108 12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.507 1.659 14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.663 3.039 15.000 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.934 3.976 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.333 3.832 12.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.566 2.893 10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.260 1.496 11.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.752 2.294 11.977 1.00 0.00 H new ATOM 1099 N MET A 78 -18.816 -0.334 13.383 1.00 0.00 N ATOM 1100 CA MET A 78 -18.219 -1.079 12.246 1.00 0.00 C ATOM 1101 C MET A 78 -17.894 -2.556 12.638 1.00 0.00 C ATOM 1102 O MET A 78 -16.909 -2.825 13.333 1.00 0.00 O ATOM 1103 CB MET A 78 -16.985 -0.291 11.717 1.00 0.00 C ATOM 1104 CG MET A 78 -16.282 -0.988 10.533 1.00 0.00 C ATOM 1105 SD MET A 78 -15.555 0.199 9.333 1.00 0.00 S ATOM 1106 CE MET A 78 -13.838 -0.414 9.465 1.00 0.00 C ATOM 0 H MET A 78 -18.171 0.320 13.827 1.00 0.00 H new ATOM 0 HA MET A 78 -18.939 -1.154 11.431 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.303 0.705 11.408 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.270 -0.159 12.529 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.495 -1.638 10.916 1.00 0.00 H new ATOM 0 HG3 MET A 78 -16.999 -1.626 10.016 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.192 0.169 8.808 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.494 -0.314 10.494 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.803 -1.463 9.171 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.700 -3.510 12.136 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.469 -4.961 12.371 1.00 0.00 C ATOM 1118 C ALA A 79 -17.404 -5.576 11.402 1.00 0.00 C ATOM 1119 O ALA A 79 -17.703 -6.323 10.466 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.853 -5.637 12.319 1.00 0.00 C ATOM 0 H ALA A 79 -19.520 -3.309 11.563 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.019 -5.134 13.349 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.741 -6.708 12.486 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.494 -5.214 13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.304 -5.467 11.341 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.135 -5.237 11.670 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.964 -5.703 10.891 1.00 0.00 C ATOM 1128 C PHE A 80 -13.822 -6.055 11.896 1.00 0.00 C ATOM 1129 O PHE A 80 -13.444 -5.240 12.743 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.578 -4.595 9.867 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.475 -5.002 8.876 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.769 -5.874 7.822 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.157 -4.572 9.064 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.754 -6.333 6.987 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.144 -5.028 8.224 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.442 -5.919 7.195 1.00 0.00 C ATOM 0 H PHE A 80 -15.883 -4.623 12.444 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.177 -6.604 10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.468 -4.311 9.305 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.250 -3.711 10.413 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.788 -6.192 7.656 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.924 -3.884 9.863 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.985 -7.010 6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.128 -4.691 8.370 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.653 -6.289 6.557 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.255 -7.267 11.791 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.148 -7.711 12.681 1.00 0.00 C ATOM 1148 C ALA A 81 -10.760 -7.059 12.376 1.00 0.00 C ATOM 1149 O ALA A 81 -10.179 -6.431 13.267 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.134 -9.253 12.655 1.00 0.00 C ATOM 0 H ALA A 81 -13.538 -7.964 11.102 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.339 -7.355 13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.334 -9.620 13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.091 -9.632 13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.968 -9.598 11.635 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.233 -7.200 11.146 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.910 -6.633 10.789 1.00 0.00 C ATOM 1158 C GLY A 82 -8.303 -7.132 9.462 1.00 0.00 C ATOM 1159 O GLY A 82 -8.492 -8.278 9.047 1.00 0.00 O ATOM 0 H GLY A 82 -10.695 -7.697 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.002 -5.548 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.210 -6.857 11.594 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.485 -6.271 8.846 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.542 -6.663 7.764 1.00 0.00 C ATOM 1165 C LEU A 83 -5.118 -6.877 8.399 1.00 0.00 C ATOM 1166 O LEU A 83 -4.444 -5.871 8.660 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.518 -5.562 6.660 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.785 -5.349 5.794 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.589 -4.158 4.841 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.167 -6.587 4.966 1.00 0.00 C ATOM 0 H LEU A 83 -7.450 -5.278 9.076 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.861 -7.592 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.285 -4.614 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.691 -5.787 5.986 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.598 -5.153 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.488 -4.021 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.400 -3.255 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.740 -4.352 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.062 -6.372 4.382 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.348 -6.842 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.362 -7.426 5.634 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.606 -8.117 8.680 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.318 -8.309 9.417 1.00 0.00 C ATOM 1184 C PRO A 84 -1.987 -7.950 8.678 1.00 0.00 C ATOM 1185 O PRO A 84 -1.066 -7.429 9.316 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.412 -9.783 9.861 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.316 -10.459 8.829 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.339 -9.383 8.466 1.00 0.00 C ATOM 0 HA PRO A 84 -3.233 -7.590 10.232 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.427 -10.250 9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.830 -9.866 10.864 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.751 -10.782 7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.799 -11.345 9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.675 -9.482 7.434 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.226 -9.444 9.097 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.885 -8.177 7.357 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.687 -7.825 6.553 1.00 0.00 C ATOM 1198 C LYS A 85 -0.658 -6.309 6.178 1.00 0.00 C ATOM 1199 O LYS A 85 -1.593 -5.774 5.570 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.679 -8.705 5.274 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.416 -10.214 5.500 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.542 -11.101 4.240 1.00 0.00 C ATOM 1203 CE LYS A 85 0.529 -10.933 3.143 1.00 0.00 C ATOM 1204 NZ LYS A 85 0.260 -9.770 2.272 1.00 0.00 N ATOM 0 H LYS A 85 -2.629 -8.610 6.810 1.00 0.00 H new ATOM 0 HA LYS A 85 0.206 -8.015 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.640 -8.594 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.082 -8.320 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.587 -10.334 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.114 -10.579 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.536 -12.143 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.517 -10.911 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.508 -10.817 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.570 -11.837 2.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.589 -9.976 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.762 -9.577 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.763 -8.937 2.639 1.00 0.00 H new ATOM 1217 N ILE A 86 0.471 -5.643 6.483 1.00 0.00 N ATOM 1218 CA ILE A 86 0.793 -4.274 5.958 1.00 0.00 C ATOM 1219 C ILE A 86 0.676 -4.090 4.406 1.00 0.00 C ATOM 1220 O ILE A 86 0.057 -3.123 3.963 1.00 0.00 O ATOM 1221 CB ILE A 86 2.143 -3.757 6.566 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.480 -2.267 6.261 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.380 -4.617 6.186 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.454 -1.227 6.743 1.00 0.00 C ATOM 0 H ILE A 86 1.192 -6.024 7.096 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.007 -3.624 6.312 1.00 0.00 H new ATOM 0 HB ILE A 86 1.947 -3.852 7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.443 -2.034 6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.600 -2.156 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.273 -4.193 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.237 -5.637 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.499 -4.625 5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.796 -0.227 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.491 -1.420 6.271 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.348 -1.296 7.826 1.00 0.00 H new ATOM 1236 N GLU A 87 1.204 -5.028 3.599 1.00 0.00 N ATOM 1237 CA GLU A 87 1.015 -5.071 2.130 1.00 0.00 C ATOM 1238 C GLU A 87 -0.466 -5.031 1.614 1.00 0.00 C ATOM 1239 O GLU A 87 -0.764 -4.217 0.740 1.00 0.00 O ATOM 1240 CB GLU A 87 1.825 -6.315 1.654 1.00 0.00 C ATOM 1241 CG GLU A 87 2.485 -6.164 0.273 1.00 0.00 C ATOM 1242 CD GLU A 87 1.588 -6.483 -0.922 1.00 0.00 C ATOM 1243 OE1 GLU A 87 1.133 -7.604 -1.136 1.00 0.00 O ATOM 1244 OE2 GLU A 87 1.366 -5.407 -1.729 1.00 0.00 O ATOM 0 H GLU A 87 1.783 -5.791 3.950 1.00 0.00 H new ATOM 0 HA GLU A 87 1.384 -4.147 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.600 -6.530 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.159 -7.178 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.845 -5.140 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.358 -6.815 0.234 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.400 -5.825 2.184 1.00 0.00 N ATOM 1252 CA ASP A 88 -2.866 -5.676 1.913 1.00 0.00 C ATOM 1253 C ASP A 88 -3.508 -4.317 2.365 1.00 0.00 C ATOM 1254 O ASP A 88 -4.292 -3.741 1.604 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.641 -6.884 2.505 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.371 -8.223 1.818 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -4.011 -8.329 0.622 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -2.652 -9.099 2.285 1.00 0.00 O ATOM 0 H ASP A 88 -1.175 -6.577 2.835 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.956 -5.661 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.388 -6.977 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.709 -6.673 2.451 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.160 -3.785 3.556 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.504 -2.386 3.958 1.00 0.00 C ATOM 1265 C ARG A 89 -2.939 -1.271 3.009 1.00 0.00 C ATOM 1266 O ARG A 89 -3.713 -0.439 2.532 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.090 -2.125 5.436 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.714 -3.070 6.495 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.601 -2.597 7.958 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.193 -2.502 8.449 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.517 -3.473 9.064 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.982 -4.678 9.249 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.324 -3.211 9.509 1.00 0.00 N ATOM 0 H ARG A 89 -2.638 -4.299 4.266 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.587 -2.314 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.005 -2.199 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.357 -1.099 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.769 -3.208 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.238 -4.047 6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.077 -1.621 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.154 -3.285 8.597 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.707 -1.618 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.914 -4.922 8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.413 -5.376 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.074 -2.280 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.214 -3.936 9.983 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.627 -1.279 2.700 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.019 -0.428 1.641 1.00 0.00 C ATOM 1289 C ALA A 90 -1.618 -0.552 0.200 1.00 0.00 C ATOM 1290 O ALA A 90 -1.849 0.476 -0.439 1.00 0.00 O ATOM 1291 CB ALA A 90 0.492 -0.727 1.672 1.00 0.00 C ATOM 0 H ALA A 90 -0.951 -1.876 3.176 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.252 0.611 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.997 -0.129 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.892 -0.478 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.658 -1.785 1.470 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.927 -1.772 -0.290 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.758 -1.983 -1.515 1.00 0.00 C ATOM 1299 C ASN A 91 -4.161 -1.292 -1.482 1.00 0.00 C ATOM 1300 O ASN A 91 -4.469 -0.504 -2.382 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.892 -3.508 -1.799 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.630 -4.257 -2.233 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.619 -3.689 -2.622 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.640 -5.566 -2.195 1.00 0.00 N ATOM 0 H ASN A 91 -1.613 -2.640 0.144 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.228 -1.491 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.274 -3.986 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.646 -3.641 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.815 -6.091 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.472 -6.061 -1.874 1.00 0.00 H new ATOM 1311 N LEU A 92 -4.994 -1.547 -0.452 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.280 -0.817 -0.256 1.00 0.00 C ATOM 1313 C LEU A 92 -6.154 0.732 -0.075 1.00 0.00 C ATOM 1314 O LEU A 92 -6.929 1.466 -0.691 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.078 -1.517 0.878 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.573 -1.101 0.975 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.456 -2.262 1.443 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.791 0.078 1.934 1.00 0.00 C ATOM 0 H LEU A 92 -4.806 -2.252 0.261 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.840 -0.882 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.024 -2.595 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.593 -1.302 1.830 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.856 -0.801 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.493 -1.931 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.376 -3.088 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.128 -2.594 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.851 0.330 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.453 -0.198 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.224 0.941 1.585 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.201 1.240 0.726 1.00 0.00 N ATOM 1331 CA ILE A 93 -4.936 2.706 0.866 1.00 0.00 C ATOM 1332 C ILE A 93 -4.416 3.370 -0.463 1.00 0.00 C ATOM 1333 O ILE A 93 -4.918 4.442 -0.805 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.082 2.940 2.163 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.861 2.545 3.461 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.567 4.398 2.308 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.008 2.394 4.730 1.00 0.00 C ATOM 0 H ILE A 93 -4.588 0.659 1.298 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.867 3.252 1.016 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.218 2.286 2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.626 3.299 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.379 1.603 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.985 4.489 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.939 4.649 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.415 5.081 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.648 2.119 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.259 1.617 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.510 3.339 4.948 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.520 2.739 -1.256 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.317 3.096 -2.692 1.00 0.00 C ATOM 1351 C ALA A 94 -4.601 3.147 -3.589 1.00 0.00 C ATOM 1352 O ALA A 94 -4.775 4.113 -4.339 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.265 2.128 -3.266 1.00 0.00 C ATOM 0 H ALA A 94 -2.922 1.979 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.979 4.132 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.091 2.361 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.332 2.234 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.626 1.103 -3.176 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.518 2.159 -3.494 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.868 2.249 -4.123 1.00 0.00 C ATOM 1361 C TYR A 95 -7.767 3.417 -3.582 1.00 0.00 C ATOM 1362 O TYR A 95 -8.302 4.165 -4.398 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.540 0.847 -4.058 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.904 0.725 -4.761 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -8.999 0.866 -6.150 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.068 0.520 -4.011 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.244 0.841 -6.775 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.309 0.478 -4.642 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.397 0.650 -6.020 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.624 0.735 -6.621 1.00 0.00 O ATOM 0 H TYR A 95 -5.354 1.288 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.739 2.530 -5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.859 0.118 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.667 0.574 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.104 0.995 -6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.004 0.394 -2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.314 0.970 -7.845 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.204 0.312 -4.061 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.619 1.466 -7.274 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.905 3.619 -2.257 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.553 4.840 -1.681 1.00 0.00 C ATOM 1382 C LEU A 96 -7.898 6.222 -2.048 1.00 0.00 C ATOM 1383 O LEU A 96 -8.631 7.198 -2.214 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.694 4.696 -0.139 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.549 3.533 0.432 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.466 3.540 1.970 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.022 3.598 -0.010 1.00 0.00 C ATOM 0 H LEU A 96 -7.579 2.956 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.530 4.878 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.691 4.602 0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.110 5.629 0.242 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.139 2.606 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.067 2.723 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.428 3.413 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.844 4.489 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.569 2.759 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.464 4.533 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.078 3.548 -1.097 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.562 6.315 -2.210 1.00 0.00 N ATOM 1400 CA GLU A 97 -5.888 7.464 -2.893 1.00 0.00 C ATOM 1401 C GLU A 97 -6.278 7.669 -4.401 1.00 0.00 C ATOM 1402 O GLU A 97 -6.516 8.808 -4.806 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.347 7.321 -2.728 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.806 7.542 -1.293 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.319 7.242 -1.129 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.537 8.236 -1.643 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.887 6.227 -0.590 1.00 0.00 O ATOM 0 H GLU A 97 -5.912 5.603 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.249 8.367 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.055 6.324 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.860 8.033 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.990 8.577 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.370 6.913 -0.604 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.376 6.599 -5.218 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.064 6.660 -6.542 1.00 0.00 C ATOM 1416 C GLY A 98 -8.581 6.999 -6.566 1.00 0.00 C ATOM 1417 O GLY A 98 -9.022 7.756 -7.430 1.00 0.00 O ATOM 0 H GLY A 98 -5.991 5.682 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.547 7.401 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.931 5.695 -7.031 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.376 6.457 -5.630 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.809 6.840 -5.431 1.00 0.00 C ATOM 1423 C GLN A 99 -11.010 8.036 -4.419 1.00 0.00 C ATOM 1424 O GLN A 99 -11.881 7.986 -3.542 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.594 5.562 -4.986 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.442 4.221 -5.765 1.00 0.00 C ATOM 1427 CD GLN A 99 -11.982 4.095 -7.193 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -12.774 3.207 -7.503 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.515 4.887 -8.127 1.00 0.00 N ATOM 0 H GLN A 99 -9.056 5.738 -4.981 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.201 7.216 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.321 5.363 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.653 5.818 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.378 3.986 -5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.921 3.444 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.857 5.628 -7.885 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.809 4.762 -9.096 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.226 9.122 -4.558 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.246 10.281 -3.625 1.00 0.00 C ATOM 1440 C GLN A 100 -10.946 11.479 -4.315 1.00 0.00 C ATOM 1441 O GLN A 100 -12.160 11.676 -4.073 1.00 0.00 O ATOM 1442 CB GLN A 100 -8.803 10.553 -3.110 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.670 11.275 -1.740 1.00 0.00 C ATOM 1444 CD GLN A 100 -8.860 12.797 -1.743 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -8.160 13.541 -2.421 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -9.745 13.331 -0.935 1.00 0.00 N ATOM 1447 OXT GLN A 100 -10.308 12.217 -5.102 1.00 0.00 O ATOM 0 H GLN A 100 -9.557 9.227 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.836 10.077 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.281 9.598 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.282 11.149 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.399 10.842 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.682 11.056 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.339 12.732 -0.361 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.840 14.345 -0.881 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.288 0.200 7.348 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.762 3.186 8.977 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.406 1.776 6.213 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.353 -2.724 6.179 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.094 -1.043 8.194 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.266 1.900 7.674 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.619 3.000 8.312 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.779 4.067 8.250 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.785 3.639 7.492 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.170 2.390 7.118 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.548 4.485 7.121 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.906 5.529 8.754 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.685 6.385 7.720 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.660 7.903 7.912 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.446 8.621 6.906 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.864 8.391 9.047 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.775 -0.293 6.368 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.682 0.408 5.782 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.894 -0.336 4.909 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.346 -1.636 5.004 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.443 -1.595 5.890 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.772 0.165 3.992 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.854 -2.844 4.173 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.463 -3.331 4.605 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.952 -1.544 7.406 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.523 -2.615 6.821 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.394 -3.652 6.826 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.515 -3.152 7.349 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.180 -1.875 7.668 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.256 -5.092 6.307 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.903 -3.858 7.367 1.00 0.00 C HETATM 1488 CBC HEC A 101 -19.969 -5.174 8.158 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.686 1.006 8.204 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.883 0.367 8.567 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.710 1.113 9.421 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.042 2.293 9.674 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.843 2.199 8.957 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.042 0.689 10.049 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.502 3.437 10.594 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.964 3.291 12.032 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.312 4.466 12.942 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.505 4.646 13.276 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.397 5.215 13.338 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.758 0.456 9.261 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -20.887 -0.193 10.671 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.430 1.502 10.663 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.054 -5.075 5.236 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.434 -5.588 6.824 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.182 -5.636 6.493 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.174 0.899 3.293 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -10.989 0.627 4.594 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.354 -0.674 3.436 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.866 5.378 6.583 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.021 4.777 8.029 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.882 3.898 6.489 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.363 2.375 12.468 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.880 3.181 11.995 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.267 -5.890 7.732 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.708 -4.986 9.199 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -20.979 -5.580 8.105 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.741 -2.524 4.482 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.493 -3.635 5.651 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.167 -4.180 3.989 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.288 6.163 6.729 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.725 6.060 7.727 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.169 4.388 10.180 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.591 3.464 10.618 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.421 5.547 9.714 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.915 5.953 8.916 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.091 -1.451 8.362 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.050 -3.716 5.845 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.556 2.308 5.785 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.894 4.102 9.553 1.00 0.00 H new HETATM 0 H2D HEC A 101 -18.783 6.037 13.706 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.821 8.349 9.254 1.00 0.00 H new