USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 883 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 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 79 LYS NZ :NH3+ -160:sc= 1.97 (180deg=-0.111) USER MOD Set 1.2: A 104 HEC O2D : rot -29:sc= 0.868 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.865 K(o=1.8,f=-6!) USER MOD Set 2.2: A 86 LYS NZ :NH3+ 165:sc= 0.922 (180deg=0) USER MOD Set 3.1: A 67 TYR OH : rot -140:sc= 0.153 USER MOD Set 3.2: A 78 THR OG1 : rot 178:sc= 0.531 USER MOD Set 4.1: A 48 TYR OH : rot -100:sc= 1.08 USER MOD Set 4.2: A 104 HEC O2A : rot 117:sc= 1.3 USER MOD Set 5.1: A 39 HIS : no HE2:sc= 0.0915 K(o=0.14,f=-1) USER MOD Set 5.2: A 42 GLN : amide:sc= 0.0446 K(o=0.14,f=-2.9!) USER MOD Set 6.1: A 40 SER OG : rot 77:sc= 0.896 USER MOD Set 6.2: A 52 ASN : amide:sc= 0.177 K(o=1.1,f=-3.9!) USER MOD Set 7.1: A 19 THR OG1 : rot -119:sc= 1.85 USER MOD Set 7.2: A 31 ASN : amide:sc= 1.9 K(o=3.8,f=-0.0045) USER MOD Set 8.1: A 22 LYS NZ :NH3+ 172:sc= 0.128 (180deg=0) USER MOD Set 8.2: A 33 HIS : no HE2:sc= -0.187 K(o=-0.059,f=-4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -123:sc= 1.09 (180deg=-1.39!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -168:sc= 1.03 (180deg=0.926) USER MOD Single : A -5 THR OG1 : rot 45:sc= 0.178 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-2.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -135:sc= 0.476 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -64:sc= 0.621 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.472 (180deg=-0.936) USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= 1.11 (180deg=-0.395) USER MOD Single : A 56 ASN : amide:sc= 0.678 K(o=0.68,f=-0.63) USER MOD Single : A 62 ASN : amide:sc= -0.0576 K(o=-0.058,f=-3!) USER MOD Single : A 63 ASN : amide:sc= 0.801 K(o=0.8,f=-0.91) USER MOD Single : A 64 MET CE :methyl 176:sc= -0.787 (180deg=-0.887) USER MOD Single : A 65 SER OG : rot 80:sc= 0.218 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.862) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 53:sc= 1.19 USER MOD Single : A 80 MET CE :methyl 176:sc= -0.901 (180deg=-0.936) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 1.84 K(o=1.8,f=-8.2!) USER MOD Single : A 96 THR OG1 : rot 74:sc= 1.39 USER MOD Single : A 97 TYR OH : rot 148:sc= 0.197 USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= 0.898 (180deg=-0.437!) USER MOD Single : A 100 LYS NZ :NH3+ -161:sc= 0.733 (180deg=-0.416!) USER MOD Single : A 102 THR OG1 : rot -45:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -14.398 -7.847 11.490 1.00 0.00 N ATOM 2 CA THR A -5 -13.679 -9.110 11.262 1.00 0.00 C ATOM 3 C THR A -5 -12.700 -8.915 10.133 1.00 0.00 C ATOM 4 O THR A -5 -13.080 -8.889 8.965 1.00 0.00 O ATOM 5 CB THR A -5 -14.605 -10.279 10.955 1.00 0.00 C ATOM 6 OG1 THR A -5 -15.586 -9.904 10.015 1.00 0.00 O ATOM 7 CG2 THR A -5 -15.325 -10.748 12.216 1.00 0.00 C ATOM 0 H1 THR A -5 -14.923 -7.903 12.386 1.00 0.00 H new ATOM 0 H2 THR A -5 -13.716 -7.063 11.537 1.00 0.00 H new ATOM 0 H3 THR A -5 -15.064 -7.680 10.708 1.00 0.00 H new ATOM 0 HA THR A -5 -13.160 -9.366 12.186 1.00 0.00 H new ATOM 0 HB THR A -5 -13.986 -11.082 10.556 1.00 0.00 H new ATOM 0 HG1 THR A -5 -15.166 -9.398 9.288 1.00 0.00 H new ATOM 0 HG21 THR A -5 -15.981 -11.584 11.971 1.00 0.00 H new ATOM 0 HG22 THR A -5 -14.591 -11.067 12.956 1.00 0.00 H new ATOM 0 HG23 THR A -5 -15.918 -9.929 12.622 1.00 0.00 H new ATOM 17 N GLU A -4 -11.440 -8.799 10.520 1.00 0.00 N ATOM 18 CA GLU A -4 -10.199 -8.446 9.829 1.00 0.00 C ATOM 19 C GLU A -4 -10.089 -8.932 8.377 1.00 0.00 C ATOM 20 O GLU A -4 -9.679 -8.157 7.511 1.00 0.00 O ATOM 21 CB GLU A -4 -8.989 -8.888 10.690 1.00 0.00 C ATOM 22 CG GLU A -4 -9.139 -10.149 11.576 1.00 0.00 C ATOM 23 CD GLU A -4 -10.080 -9.925 12.776 1.00 0.00 C ATOM 24 OE1 GLU A -4 -9.740 -9.092 13.639 1.00 0.00 O ATOM 25 OE2 GLU A -4 -11.230 -10.424 12.707 1.00 0.00 O ATOM 0 H GLU A -4 -11.226 -8.983 11.500 1.00 0.00 H new ATOM 0 HA GLU A -4 -10.205 -7.361 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -8.146 -9.052 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -8.722 -8.055 11.340 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -9.520 -10.971 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -8.157 -10.450 11.941 1.00 0.00 H new ATOM 32 N PHE A -3 -10.548 -10.153 8.084 1.00 0.00 N ATOM 33 CA PHE A -3 -10.909 -10.526 6.716 1.00 0.00 C ATOM 34 C PHE A -3 -12.340 -11.067 6.622 1.00 0.00 C ATOM 35 O PHE A -3 -12.692 -12.087 7.218 1.00 0.00 O ATOM 36 CB PHE A -3 -9.868 -11.455 6.075 1.00 0.00 C ATOM 37 CG PHE A -3 -9.869 -11.374 4.553 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.443 -10.187 3.928 1.00 0.00 C ATOM 39 CD2 PHE A -3 -10.291 -12.458 3.759 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.430 -10.083 2.525 1.00 0.00 C ATOM 41 CE2 PHE A -3 -10.263 -12.360 2.353 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.831 -11.171 1.733 1.00 0.00 C ATOM 0 H PHE A -3 -10.677 -10.895 8.772 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.897 -9.612 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.877 -11.197 6.448 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -10.066 -12.482 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.124 -9.349 4.530 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -10.637 -13.367 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.111 -9.164 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -10.574 -13.200 1.749 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.808 -11.097 0.656 1.00 0.00 H new ATOM 52 N LYS A -2 -13.163 -10.373 5.832 1.00 0.00 N ATOM 53 CA LYS A -2 -14.537 -10.728 5.439 1.00 0.00 C ATOM 54 C LYS A -2 -14.730 -10.792 3.911 1.00 0.00 C ATOM 55 O LYS A -2 -15.831 -11.058 3.437 1.00 0.00 O ATOM 56 CB LYS A -2 -15.518 -9.764 6.141 1.00 0.00 C ATOM 57 CG LYS A -2 -16.692 -10.475 6.833 1.00 0.00 C ATOM 58 CD LYS A -2 -17.595 -11.222 5.848 1.00 0.00 C ATOM 59 CE LYS A -2 -18.826 -11.791 6.549 1.00 0.00 C ATOM 60 NZ LYS A -2 -19.678 -12.518 5.579 1.00 0.00 N ATOM 0 H LYS A -2 -12.871 -9.487 5.420 1.00 0.00 H new ATOM 0 HA LYS A -2 -14.750 -11.744 5.772 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.972 -9.179 6.881 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -15.912 -9.062 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -16.302 -11.179 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -17.285 -9.741 7.378 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -17.907 -10.546 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -17.035 -12.030 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -18.519 -12.464 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -19.395 -10.985 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -20.512 -12.900 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -19.985 -11.866 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -19.136 -13.299 5.158 1.00 0.00 H new ATOM 74 N ALA A -1 -13.628 -10.618 3.186 1.00 0.00 N ATOM 75 CA ALA A -1 -13.446 -10.506 1.739 1.00 0.00 C ATOM 76 C ALA A -1 -14.190 -9.332 1.067 1.00 0.00 C ATOM 77 O ALA A -1 -15.090 -8.707 1.627 1.00 0.00 O ATOM 78 CB ALA A -1 -13.743 -11.864 1.080 1.00 0.00 C ATOM 0 H ALA A -1 -12.727 -10.543 3.659 1.00 0.00 H new ATOM 0 HA ALA A -1 -12.400 -10.246 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.608 -11.782 0.001 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -13.061 -12.617 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.771 -12.156 1.296 1.00 0.00 H new ATOM 84 N GLY A 1 -13.794 -9.029 -0.167 1.00 0.00 N ATOM 85 CA GLY A 1 -14.432 -8.081 -1.074 1.00 0.00 C ATOM 86 C GLY A 1 -14.477 -8.669 -2.484 1.00 0.00 C ATOM 87 O GLY A 1 -14.642 -9.874 -2.654 1.00 0.00 O ATOM 0 H GLY A 1 -12.971 -9.465 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.442 -7.857 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.881 -7.140 -1.079 1.00 0.00 H new ATOM 91 N SER A 2 -14.340 -7.838 -3.512 1.00 0.00 N ATOM 92 CA SER A 2 -14.230 -8.280 -4.905 1.00 0.00 C ATOM 93 C SER A 2 -13.190 -7.464 -5.653 1.00 0.00 C ATOM 94 O SER A 2 -13.198 -6.234 -5.596 1.00 0.00 O ATOM 95 CB SER A 2 -15.583 -8.164 -5.601 1.00 0.00 C ATOM 96 OG SER A 2 -15.444 -8.310 -7.005 1.00 0.00 O ATOM 0 H SER A 2 -14.301 -6.825 -3.404 1.00 0.00 H new ATOM 0 HA SER A 2 -13.914 -9.323 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.260 -8.927 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.031 -7.197 -5.375 1.00 0.00 H new ATOM 0 HG SER A 2 -16.324 -8.234 -7.430 1.00 0.00 H new ATOM 102 N ALA A 3 -12.330 -8.143 -6.417 1.00 0.00 N ATOM 103 CA ALA A 3 -11.242 -7.498 -7.147 1.00 0.00 C ATOM 104 C ALA A 3 -11.714 -6.373 -8.093 1.00 0.00 C ATOM 105 O ALA A 3 -11.005 -5.385 -8.256 1.00 0.00 O ATOM 106 CB ALA A 3 -10.441 -8.576 -7.887 1.00 0.00 C ATOM 0 H ALA A 3 -12.371 -9.154 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.601 -6.993 -6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.624 -8.109 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.034 -9.286 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.095 -9.101 -8.584 1.00 0.00 H new ATOM 112 N LYS A 4 -12.932 -6.452 -8.659 1.00 0.00 N ATOM 113 CA LYS A 4 -13.491 -5.392 -9.523 1.00 0.00 C ATOM 114 C LYS A 4 -13.926 -4.135 -8.761 1.00 0.00 C ATOM 115 O LYS A 4 -13.797 -3.017 -9.258 1.00 0.00 O ATOM 116 CB LYS A 4 -14.625 -5.968 -10.399 1.00 0.00 C ATOM 117 CG LYS A 4 -14.601 -5.501 -11.868 1.00 0.00 C ATOM 118 CD LYS A 4 -14.845 -3.997 -12.073 1.00 0.00 C ATOM 119 CE LYS A 4 -15.032 -3.676 -13.561 1.00 0.00 C ATOM 120 NZ LYS A 4 -15.342 -2.238 -13.775 1.00 0.00 N ATOM 0 H LYS A 4 -13.556 -7.249 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.684 -5.051 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.567 -7.056 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.583 -5.691 -9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.635 -5.760 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.357 -6.056 -12.423 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.729 -3.688 -11.515 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.003 -3.430 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.126 -3.939 -14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.838 -4.287 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.462 -2.056 -14.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.220 -1.994 -13.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.561 -1.656 -13.409 1.00 0.00 H new ATOM 134 N LYS A 5 -14.427 -4.337 -7.547 1.00 0.00 N ATOM 135 CA LYS A 5 -14.778 -3.287 -6.570 1.00 0.00 C ATOM 136 C LYS A 5 -13.510 -2.629 -6.021 1.00 0.00 C ATOM 137 O LYS A 5 -13.334 -1.428 -6.215 1.00 0.00 O ATOM 138 CB LYS A 5 -15.699 -3.859 -5.470 1.00 0.00 C ATOM 139 CG LYS A 5 -17.166 -3.869 -5.940 1.00 0.00 C ATOM 140 CD LYS A 5 -18.093 -4.903 -5.274 1.00 0.00 C ATOM 141 CE LYS A 5 -18.454 -4.679 -3.797 1.00 0.00 C ATOM 142 NZ LYS A 5 -17.392 -5.087 -2.847 1.00 0.00 N ATOM 0 H LYS A 5 -14.611 -5.275 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.346 -2.499 -7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.386 -4.872 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.606 -3.261 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.585 -2.877 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.179 -4.042 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -19.020 -4.942 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.623 -5.883 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.677 -3.623 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -19.364 -5.233 -3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.774 -5.787 -2.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.598 -5.506 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.058 -4.254 -2.321 1.00 0.00 H new ATOM 156 N GLY A 6 -12.598 -3.412 -5.441 1.00 0.00 N ATOM 157 CA GLY A 6 -11.271 -2.961 -5.008 1.00 0.00 C ATOM 158 C GLY A 6 -10.499 -2.187 -6.078 1.00 0.00 C ATOM 159 O GLY A 6 -9.969 -1.120 -5.775 1.00 0.00 O ATOM 0 H GLY A 6 -12.764 -4.401 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.383 -2.330 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.684 -3.828 -4.707 1.00 0.00 H new ATOM 163 N ALA A 7 -10.513 -2.666 -7.331 1.00 0.00 N ATOM 164 CA ALA A 7 -9.920 -1.983 -8.481 1.00 0.00 C ATOM 165 C ALA A 7 -10.469 -0.563 -8.657 1.00 0.00 C ATOM 166 O ALA A 7 -9.687 0.377 -8.777 1.00 0.00 O ATOM 167 CB ALA A 7 -10.154 -2.790 -9.767 1.00 0.00 C ATOM 0 H ALA A 7 -10.946 -3.557 -7.574 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.850 -1.906 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.706 -2.267 -10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.697 -3.775 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.225 -2.902 -9.936 1.00 0.00 H new ATOM 173 N THR A 8 -11.796 -0.393 -8.710 1.00 0.00 N ATOM 174 CA THR A 8 -12.410 0.931 -8.912 1.00 0.00 C ATOM 175 C THR A 8 -12.093 1.902 -7.769 1.00 0.00 C ATOM 176 O THR A 8 -11.833 3.074 -8.026 1.00 0.00 O ATOM 177 CB THR A 8 -13.921 0.797 -9.195 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.258 1.599 -10.303 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.882 1.177 -8.067 1.00 0.00 C ATOM 0 H THR A 8 -12.468 -1.155 -8.616 1.00 0.00 H new ATOM 0 HA THR A 8 -11.959 1.377 -9.798 1.00 0.00 H new ATOM 0 HB THR A 8 -14.053 -0.273 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.217 1.516 -10.488 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.910 1.035 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.692 0.545 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.729 2.222 -7.796 1.00 0.00 H new ATOM 187 N LEU A 9 -12.046 1.412 -6.526 1.00 0.00 N ATOM 188 CA LEU A 9 -11.736 2.188 -5.337 1.00 0.00 C ATOM 189 C LEU A 9 -10.260 2.605 -5.329 1.00 0.00 C ATOM 190 O LEU A 9 -9.955 3.788 -5.226 1.00 0.00 O ATOM 191 CB LEU A 9 -12.130 1.368 -4.089 1.00 0.00 C ATOM 192 CG LEU A 9 -12.514 2.297 -2.923 1.00 0.00 C ATOM 193 CD1 LEU A 9 -14.025 2.326 -2.696 1.00 0.00 C ATOM 194 CD2 LEU A 9 -11.842 1.916 -1.604 1.00 0.00 C ATOM 0 H LEU A 9 -12.230 0.430 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.312 3.113 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.967 0.713 -4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.299 0.728 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.160 3.283 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.255 2.993 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.522 2.685 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.377 1.321 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.154 2.609 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.133 0.903 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.759 1.964 -1.720 1.00 0.00 H new ATOM 206 N PHE A 10 -9.329 1.669 -5.542 1.00 0.00 N ATOM 207 CA PHE A 10 -7.904 1.954 -5.752 1.00 0.00 C ATOM 208 C PHE A 10 -7.684 3.035 -6.824 1.00 0.00 C ATOM 209 O PHE A 10 -6.874 3.947 -6.626 1.00 0.00 O ATOM 210 CB PHE A 10 -7.174 0.649 -6.119 1.00 0.00 C ATOM 211 CG PHE A 10 -5.738 0.838 -6.579 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.690 0.918 -5.643 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.443 0.938 -7.955 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.373 1.171 -6.069 1.00 0.00 C ATOM 215 CE2 PHE A 10 -4.118 1.151 -8.380 1.00 0.00 C ATOM 216 CZ PHE A 10 -3.086 1.295 -7.437 1.00 0.00 C ATOM 0 H PHE A 10 -9.548 0.673 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.490 2.351 -4.825 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.181 -0.012 -5.252 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.732 0.145 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.898 0.784 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.235 0.851 -8.684 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.581 1.270 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.894 1.204 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.077 1.500 -7.764 1.00 0.00 H new ATOM 226 N LYS A 11 -8.419 2.960 -7.945 1.00 0.00 N ATOM 227 CA LYS A 11 -8.244 3.848 -9.114 1.00 0.00 C ATOM 228 C LYS A 11 -8.417 5.342 -8.796 1.00 0.00 C ATOM 229 O LYS A 11 -7.827 6.165 -9.491 1.00 0.00 O ATOM 230 CB LYS A 11 -9.174 3.410 -10.268 1.00 0.00 C ATOM 231 CG LYS A 11 -8.530 3.501 -11.663 1.00 0.00 C ATOM 232 CD LYS A 11 -7.511 2.376 -11.943 1.00 0.00 C ATOM 233 CE LYS A 11 -6.878 2.574 -13.333 1.00 0.00 C ATOM 234 NZ LYS A 11 -5.797 1.593 -13.630 1.00 0.00 N ATOM 0 H LYS A 11 -9.162 2.273 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.206 3.738 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.493 2.382 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.071 4.029 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.314 3.467 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.032 4.465 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.735 2.378 -11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.005 1.406 -11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.654 2.491 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.472 3.583 -13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.411 1.778 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.039 1.687 -12.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.185 0.629 -13.596 1.00 0.00 H new ATOM 248 N THR A 12 -9.152 5.689 -7.736 1.00 0.00 N ATOM 249 CA THR A 12 -9.362 7.077 -7.272 1.00 0.00 C ATOM 250 C THR A 12 -9.061 7.320 -5.787 1.00 0.00 C ATOM 251 O THR A 12 -9.225 8.440 -5.311 1.00 0.00 O ATOM 252 CB THR A 12 -10.768 7.572 -7.647 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.751 6.670 -7.194 1.00 0.00 O ATOM 254 CG2 THR A 12 -10.949 7.705 -9.160 1.00 0.00 C ATOM 0 H THR A 12 -9.633 5.000 -7.157 1.00 0.00 H new ATOM 0 HA THR A 12 -8.616 7.670 -7.802 1.00 0.00 H new ATOM 0 HB THR A 12 -10.878 8.548 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.639 7.003 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.958 8.058 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.224 8.418 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.795 6.734 -9.632 1.00 0.00 H new ATOM 262 N ARG A 13 -8.562 6.313 -5.054 1.00 0.00 N ATOM 263 CA ARG A 13 -8.019 6.451 -3.686 1.00 0.00 C ATOM 264 C ARG A 13 -6.491 6.478 -3.618 1.00 0.00 C ATOM 265 O ARG A 13 -5.936 7.160 -2.761 1.00 0.00 O ATOM 266 CB ARG A 13 -8.483 5.273 -2.811 1.00 0.00 C ATOM 267 CG ARG A 13 -9.979 5.235 -2.478 1.00 0.00 C ATOM 268 CD ARG A 13 -10.383 6.256 -1.413 1.00 0.00 C ATOM 269 NE ARG A 13 -11.480 5.720 -0.582 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.570 6.326 -0.159 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.866 7.541 -0.536 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.372 5.732 0.682 1.00 0.00 N ATOM 0 H ARG A 13 -8.522 5.355 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.395 7.410 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.219 4.344 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.923 5.297 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.552 5.420 -3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.243 4.235 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.525 6.496 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.698 7.184 -1.890 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.380 4.746 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.247 8.043 -1.173 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.717 7.988 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.156 4.793 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.215 6.207 1.006 1.00 0.00 H new ATOM 286 N CYS A 14 -5.829 5.682 -4.463 1.00 0.00 N ATOM 287 CA CYS A 14 -4.417 5.317 -4.311 1.00 0.00 C ATOM 288 C CYS A 14 -3.596 5.566 -5.583 1.00 0.00 C ATOM 289 O CYS A 14 -2.429 5.958 -5.500 1.00 0.00 O ATOM 290 CB CYS A 14 -4.322 3.826 -3.967 1.00 0.00 C ATOM 291 SG CYS A 14 -5.452 3.144 -2.708 1.00 0.00 S ATOM 0 H CYS A 14 -6.266 5.266 -5.285 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.008 5.945 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.475 3.264 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.302 3.627 -3.638 1.00 0.00 H new ATOM 296 N LEU A 15 -4.195 5.369 -6.771 1.00 0.00 N ATOM 297 CA LEU A 15 -3.511 5.453 -8.071 1.00 0.00 C ATOM 298 C LEU A 15 -2.794 6.796 -8.298 1.00 0.00 C ATOM 299 O LEU A 15 -1.711 6.828 -8.874 1.00 0.00 O ATOM 300 CB LEU A 15 -4.531 5.179 -9.188 1.00 0.00 C ATOM 301 CG LEU A 15 -3.942 5.210 -10.614 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.085 3.982 -10.925 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.066 5.263 -11.646 1.00 0.00 C ATOM 0 H LEU A 15 -5.186 5.143 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.725 4.698 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.985 4.203 -9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.330 5.918 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.313 6.099 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.697 4.057 -11.941 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.254 3.931 -10.222 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.693 3.082 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.639 5.285 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.699 4.382 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.664 6.160 -11.487 1.00 0.00 H new ATOM 315 N GLN A 16 -3.350 7.895 -7.777 1.00 0.00 N ATOM 316 CA GLN A 16 -2.764 9.244 -7.795 1.00 0.00 C ATOM 317 C GLN A 16 -1.317 9.323 -7.258 1.00 0.00 C ATOM 318 O GLN A 16 -0.595 10.261 -7.590 1.00 0.00 O ATOM 319 CB GLN A 16 -3.707 10.204 -7.040 1.00 0.00 C ATOM 320 CG GLN A 16 -3.939 9.824 -5.566 1.00 0.00 C ATOM 321 CD GLN A 16 -4.875 10.807 -4.861 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.062 10.896 -5.130 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.379 11.591 -3.927 1.00 0.00 N ATOM 0 H GLN A 16 -4.257 7.870 -7.312 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.674 9.544 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.294 11.212 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.668 10.231 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.361 8.820 -5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.983 9.796 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.390 11.534 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.984 12.256 -3.445 1.00 0.00 H new ATOM 332 N CYS A 17 -0.877 8.335 -6.469 1.00 0.00 N ATOM 333 CA CYS A 17 0.463 8.269 -5.882 1.00 0.00 C ATOM 334 C CYS A 17 1.235 6.971 -6.185 1.00 0.00 C ATOM 335 O CYS A 17 2.458 6.944 -6.008 1.00 0.00 O ATOM 336 CB CYS A 17 0.347 8.483 -4.372 1.00 0.00 C ATOM 337 SG CYS A 17 -0.281 10.117 -3.858 1.00 0.00 S ATOM 0 H CYS A 17 -1.461 7.538 -6.216 1.00 0.00 H new ATOM 0 HA CYS A 17 1.051 9.059 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.310 7.715 -3.963 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.330 8.333 -3.925 1.00 0.00 H new ATOM 342 N HIS A 18 0.561 5.907 -6.644 1.00 0.00 N ATOM 343 CA HIS A 18 1.132 4.560 -6.790 1.00 0.00 C ATOM 344 C HIS A 18 0.821 3.882 -8.127 1.00 0.00 C ATOM 345 O HIS A 18 -0.315 3.892 -8.591 1.00 0.00 O ATOM 346 CB HIS A 18 0.575 3.659 -5.679 1.00 0.00 C ATOM 347 CG HIS A 18 1.205 3.907 -4.339 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.522 3.675 -4.007 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.562 4.361 -3.220 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.658 3.971 -2.704 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.490 4.396 -2.182 1.00 0.00 N ATOM 0 H HIS A 18 -0.417 5.960 -6.930 1.00 0.00 H new ATOM 0 HA HIS A 18 2.213 4.689 -6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.501 3.814 -5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.727 2.616 -5.957 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.255 3.341 -4.633 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.479 4.642 -3.153 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.580 3.881 -2.149 1.00 0.00 H new ATOM 359 N THR A 19 1.804 3.147 -8.648 1.00 0.00 N ATOM 360 CA THR A 19 1.587 2.052 -9.603 1.00 0.00 C ATOM 361 C THR A 19 1.607 0.708 -8.866 1.00 0.00 C ATOM 362 O THR A 19 2.133 0.600 -7.759 1.00 0.00 O ATOM 363 CB THR A 19 2.612 2.077 -10.741 1.00 0.00 C ATOM 364 OG1 THR A 19 3.935 2.071 -10.246 1.00 0.00 O ATOM 365 CG2 THR A 19 2.436 3.314 -11.616 1.00 0.00 C ATOM 0 H THR A 19 2.787 3.295 -8.418 1.00 0.00 H new ATOM 0 HA THR A 19 0.607 2.188 -10.061 1.00 0.00 H new ATOM 0 HB THR A 19 2.439 1.178 -11.332 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.398 2.883 -10.541 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.178 3.303 -12.415 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.436 3.314 -12.050 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.568 4.210 -11.010 1.00 0.00 H new ATOM 373 N VAL A 20 0.990 -0.306 -9.467 1.00 0.00 N ATOM 374 CA VAL A 20 0.821 -1.677 -8.929 1.00 0.00 C ATOM 375 C VAL A 20 1.017 -2.731 -10.033 1.00 0.00 C ATOM 376 O VAL A 20 1.559 -3.808 -9.802 1.00 0.00 O ATOM 377 CB VAL A 20 -0.539 -1.791 -8.198 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.760 -1.626 -9.111 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.694 -3.098 -7.421 1.00 0.00 C ATOM 0 H VAL A 20 0.569 -0.201 -10.390 1.00 0.00 H new ATOM 0 HA VAL A 20 1.596 -1.879 -8.189 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.515 -0.952 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.671 -1.720 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.732 -0.643 -9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.746 -2.398 -9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.668 -3.117 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.617 -3.941 -8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.092 -3.170 -6.669 1.00 0.00 H new ATOM 389 N GLU A 21 0.690 -2.353 -11.267 1.00 0.00 N ATOM 390 CA GLU A 21 1.217 -2.876 -12.524 1.00 0.00 C ATOM 391 C GLU A 21 2.723 -3.137 -12.540 1.00 0.00 C ATOM 392 O GLU A 21 3.554 -2.334 -12.114 1.00 0.00 O ATOM 393 CB GLU A 21 0.834 -1.949 -13.679 1.00 0.00 C ATOM 394 CG GLU A 21 0.964 -0.432 -13.377 1.00 0.00 C ATOM 395 CD GLU A 21 -0.074 0.428 -14.096 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.276 0.097 -13.971 1.00 0.00 O ATOM 397 OE2 GLU A 21 0.332 1.465 -14.654 1.00 0.00 O ATOM 0 H GLU A 21 -0.001 -1.619 -11.425 1.00 0.00 H new ATOM 0 HA GLU A 21 0.755 -3.856 -12.642 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.460 -2.187 -14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.196 -2.159 -13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.871 -0.275 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.961 -0.098 -13.663 1.00 0.00 H new ATOM 404 N LYS A 22 3.045 -4.312 -13.062 1.00 0.00 N ATOM 405 CA LYS A 22 4.330 -5.004 -12.932 1.00 0.00 C ATOM 406 C LYS A 22 5.499 -4.268 -13.599 1.00 0.00 C ATOM 407 O LYS A 22 5.707 -4.419 -14.797 1.00 0.00 O ATOM 408 CB LYS A 22 4.114 -6.417 -13.469 1.00 0.00 C ATOM 409 CG LYS A 22 5.313 -7.303 -13.148 1.00 0.00 C ATOM 410 CD LYS A 22 4.904 -8.765 -13.329 1.00 0.00 C ATOM 411 CE LYS A 22 5.970 -9.688 -12.732 1.00 0.00 C ATOM 412 NZ LYS A 22 5.346 -10.873 -12.094 1.00 0.00 N ATOM 0 H LYS A 22 2.379 -4.844 -13.622 1.00 0.00 H new ATOM 0 HA LYS A 22 4.636 -5.036 -11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.212 -6.844 -13.031 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.959 -6.382 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.149 -7.060 -13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.649 -7.128 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.944 -8.945 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.773 -8.985 -14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.657 -10.011 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.559 -9.141 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.087 -11.549 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.817 -10.574 -11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.697 -11.328 -12.767 1.00 0.00 H new ATOM 426 N GLY A 23 6.278 -3.512 -12.821 1.00 0.00 N ATOM 427 CA GLY A 23 7.383 -2.694 -13.342 1.00 0.00 C ATOM 428 C GLY A 23 6.954 -1.318 -13.868 1.00 0.00 C ATOM 429 O GLY A 23 7.760 -0.624 -14.484 1.00 0.00 O ATOM 0 H GLY A 23 6.162 -3.448 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.121 -2.554 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.877 -3.240 -14.146 1.00 0.00 H new ATOM 433 N GLY A 24 5.702 -0.915 -13.620 1.00 0.00 N ATOM 434 CA GLY A 24 5.219 0.438 -13.888 1.00 0.00 C ATOM 435 C GLY A 24 5.961 1.503 -13.062 1.00 0.00 C ATOM 436 O GLY A 24 6.537 1.197 -12.012 1.00 0.00 O ATOM 0 H GLY A 24 4.991 -1.529 -13.223 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.337 0.659 -14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.153 0.490 -13.668 1.00 0.00 H new ATOM 440 N PRO A 25 5.936 2.773 -13.499 1.00 0.00 N ATOM 441 CA PRO A 25 6.786 3.815 -12.938 1.00 0.00 C ATOM 442 C PRO A 25 6.488 4.082 -11.459 1.00 0.00 C ATOM 443 O PRO A 25 5.345 4.310 -11.060 1.00 0.00 O ATOM 444 CB PRO A 25 6.556 5.052 -13.815 1.00 0.00 C ATOM 445 CG PRO A 25 5.181 4.811 -14.436 1.00 0.00 C ATOM 446 CD PRO A 25 5.144 3.294 -14.602 1.00 0.00 C ATOM 0 HA PRO A 25 7.834 3.515 -12.948 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.573 5.969 -13.225 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.328 5.150 -14.579 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.378 5.167 -13.790 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.073 5.325 -15.391 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.122 2.918 -14.565 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.560 2.992 -15.563 1.00 0.00 H new ATOM 454 N HIS A 26 7.539 4.117 -10.640 1.00 0.00 N ATOM 455 CA HIS A 26 7.508 4.769 -9.331 1.00 0.00 C ATOM 456 C HIS A 26 7.120 6.247 -9.513 1.00 0.00 C ATOM 457 O HIS A 26 7.691 6.931 -10.364 1.00 0.00 O ATOM 458 CB HIS A 26 8.893 4.677 -8.681 1.00 0.00 C ATOM 459 CG HIS A 26 9.530 3.309 -8.648 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.895 2.117 -8.391 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.861 3.039 -8.811 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.835 1.154 -8.354 1.00 0.00 C ATOM 463 NE2 HIS A 26 11.039 1.669 -8.615 1.00 0.00 N ATOM 0 H HIS A 26 8.439 3.693 -10.866 1.00 0.00 H new ATOM 0 HA HIS A 26 6.777 4.275 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.564 5.354 -9.210 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.815 5.042 -7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.633 3.756 -9.048 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.643 0.112 -8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.921 1.158 -8.662 1.00 0.00 H new ATOM 471 N LYS A 27 6.142 6.743 -8.744 1.00 0.00 N ATOM 472 CA LYS A 27 5.612 8.103 -8.888 1.00 0.00 C ATOM 473 C LYS A 27 5.841 8.948 -7.641 1.00 0.00 C ATOM 474 O LYS A 27 6.834 9.673 -7.603 1.00 0.00 O ATOM 475 CB LYS A 27 4.155 8.044 -9.391 1.00 0.00 C ATOM 476 CG LYS A 27 4.039 8.223 -10.917 1.00 0.00 C ATOM 477 CD LYS A 27 4.032 9.689 -11.392 1.00 0.00 C ATOM 478 CE LYS A 27 5.349 10.435 -11.125 1.00 0.00 C ATOM 479 NZ LYS A 27 5.335 11.812 -11.678 1.00 0.00 N ATOM 0 H LYS A 27 5.694 6.208 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 27 6.174 8.636 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.717 7.087 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.573 8.820 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.870 7.704 -11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.123 7.740 -11.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.822 9.713 -12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.219 10.218 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.529 10.478 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.176 9.877 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.243 12.277 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.190 11.771 -12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.563 12.354 -11.241 1.00 0.00 H new ATOM 493 N VAL A 28 4.945 8.862 -6.664 1.00 0.00 N ATOM 494 CA VAL A 28 5.051 9.558 -5.372 1.00 0.00 C ATOM 495 C VAL A 28 5.511 8.553 -4.321 1.00 0.00 C ATOM 496 O VAL A 28 6.438 8.817 -3.560 1.00 0.00 O ATOM 497 CB VAL A 28 3.707 10.210 -4.992 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.798 11.018 -3.695 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.194 11.149 -6.095 1.00 0.00 C ATOM 0 H VAL A 28 4.101 8.294 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 28 5.782 10.364 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 28 3.014 9.380 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.826 11.457 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.097 10.362 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.536 11.811 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.245 11.588 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.922 11.942 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.051 10.584 -7.016 1.00 0.00 H new ATOM 509 N GLY A 29 4.903 7.361 -4.342 1.00 0.00 N ATOM 510 CA GLY A 29 5.435 6.145 -3.729 1.00 0.00 C ATOM 511 C GLY A 29 5.909 5.112 -4.772 1.00 0.00 C ATOM 512 O GLY A 29 5.811 5.354 -5.987 1.00 0.00 O ATOM 0 H GLY A 29 4.003 7.215 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.269 6.406 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.668 5.694 -3.100 1.00 0.00 H new ATOM 516 N PRO A 30 6.440 3.964 -4.304 1.00 0.00 N ATOM 517 CA PRO A 30 7.012 2.924 -5.155 1.00 0.00 C ATOM 518 C PRO A 30 5.953 2.100 -5.910 1.00 0.00 C ATOM 519 O PRO A 30 4.744 2.285 -5.767 1.00 0.00 O ATOM 520 CB PRO A 30 7.849 2.059 -4.200 1.00 0.00 C ATOM 521 CG PRO A 30 7.058 2.135 -2.897 1.00 0.00 C ATOM 522 CD PRO A 30 6.561 3.579 -2.900 1.00 0.00 C ATOM 0 HA PRO A 30 7.612 3.357 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.941 1.034 -4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.860 2.448 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.234 1.422 -2.880 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.682 1.922 -2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.602 3.662 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.259 4.232 -2.376 1.00 0.00 H new ATOM 530 N ASN A 31 6.439 1.175 -6.742 1.00 0.00 N ATOM 531 CA ASN A 31 5.661 0.198 -7.496 1.00 0.00 C ATOM 532 C ASN A 31 5.183 -0.934 -6.567 1.00 0.00 C ATOM 533 O ASN A 31 5.959 -1.811 -6.199 1.00 0.00 O ATOM 534 CB ASN A 31 6.525 -0.322 -8.663 1.00 0.00 C ATOM 535 CG ASN A 31 5.747 -1.248 -9.576 1.00 0.00 C ATOM 536 OD1 ASN A 31 6.077 -2.405 -9.789 1.00 0.00 O ATOM 537 ND2 ASN A 31 4.680 -0.747 -10.140 1.00 0.00 N ATOM 0 H ASN A 31 7.440 1.086 -6.914 1.00 0.00 H new ATOM 0 HA ASN A 31 4.765 0.658 -7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.902 0.523 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.392 -0.849 -8.265 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.115 -1.323 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.412 0.220 -9.956 1.00 0.00 H new ATOM 544 N LEU A 32 3.901 -0.915 -6.200 1.00 0.00 N ATOM 545 CA LEU A 32 3.195 -1.802 -5.269 1.00 0.00 C ATOM 546 C LEU A 32 2.940 -3.203 -5.855 1.00 0.00 C ATOM 547 O LEU A 32 2.010 -3.883 -5.450 1.00 0.00 O ATOM 548 CB LEU A 32 1.856 -1.168 -4.819 1.00 0.00 C ATOM 549 CG LEU A 32 1.908 0.161 -4.050 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.485 0.513 -3.599 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.797 0.090 -2.806 1.00 0.00 C ATOM 0 H LEU A 32 3.269 -0.212 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 32 3.849 -1.926 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.244 -1.015 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.336 -1.895 -4.195 1.00 0.00 H new ATOM 0 HG LEU A 32 2.328 0.913 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.500 1.455 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.159 0.612 -4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.102 -0.277 -2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.796 1.057 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.414 -0.673 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.815 -0.165 -3.100 1.00 0.00 H new ATOM 563 N HIS A 33 3.705 -3.633 -6.855 1.00 0.00 N ATOM 564 CA HIS A 33 3.651 -5.011 -7.359 1.00 0.00 C ATOM 565 C HIS A 33 4.086 -6.044 -6.299 1.00 0.00 C ATOM 566 O HIS A 33 3.319 -6.484 -5.455 1.00 0.00 O ATOM 567 CB HIS A 33 4.405 -5.121 -8.696 1.00 0.00 C ATOM 568 CG HIS A 33 4.163 -6.453 -9.361 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.936 -6.923 -9.768 1.00 0.00 N ATOM 570 CD2 HIS A 33 5.077 -7.453 -9.564 1.00 0.00 C ATOM 571 CE1 HIS A 33 3.102 -8.186 -10.193 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.400 -8.545 -10.126 1.00 0.00 N ATOM 0 H HIS A 33 4.379 -3.041 -7.341 1.00 0.00 H new ATOM 0 HA HIS A 33 2.611 -5.265 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.087 -4.318 -9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.473 -4.988 -8.524 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.057 -6.405 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.131 -7.408 -9.333 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.305 -8.826 -10.541 1.00 0.00 H new ATOM 580 N GLY A 34 5.354 -6.431 -6.299 1.00 0.00 N ATOM 581 CA GLY A 34 5.922 -7.510 -5.468 1.00 0.00 C ATOM 582 C GLY A 34 6.121 -7.199 -3.975 1.00 0.00 C ATOM 583 O GLY A 34 7.124 -7.638 -3.411 1.00 0.00 O ATOM 0 H GLY A 34 6.052 -5.991 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.272 -8.381 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.887 -7.791 -5.889 1.00 0.00 H new ATOM 587 N ILE A 35 5.245 -6.414 -3.331 1.00 0.00 N ATOM 588 CA ILE A 35 5.411 -6.045 -1.916 1.00 0.00 C ATOM 589 C ILE A 35 5.074 -7.165 -0.929 1.00 0.00 C ATOM 590 O ILE A 35 5.704 -7.221 0.119 1.00 0.00 O ATOM 591 CB ILE A 35 4.681 -4.741 -1.526 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.161 -4.857 -1.276 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.008 -3.607 -2.509 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.315 -5.399 -2.430 1.00 0.00 C ATOM 0 H ILE A 35 4.412 -6.021 -3.769 1.00 0.00 H new ATOM 0 HA ILE A 35 6.482 -5.861 -1.831 1.00 0.00 H new ATOM 0 HB ILE A 35 5.083 -4.497 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.007 -5.500 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.783 -3.869 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.480 -2.702 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.082 -3.419 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.695 -3.894 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.268 -5.432 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.423 -4.748 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.650 -6.404 -2.686 1.00 0.00 H new ATOM 606 N PHE A 36 4.090 -8.029 -1.200 1.00 0.00 N ATOM 607 CA PHE A 36 3.617 -9.032 -0.240 1.00 0.00 C ATOM 608 C PHE A 36 4.692 -10.090 0.040 1.00 0.00 C ATOM 609 O PHE A 36 5.034 -10.893 -0.826 1.00 0.00 O ATOM 610 CB PHE A 36 2.283 -9.651 -0.692 1.00 0.00 C ATOM 611 CG PHE A 36 1.091 -8.718 -0.534 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.706 -8.285 0.750 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.360 -8.281 -1.655 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.378 -7.405 0.910 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.712 -7.383 -1.499 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.077 -6.938 -0.215 1.00 0.00 C ATOM 0 H PHE A 36 3.598 -8.052 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 36 3.424 -8.527 0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.366 -9.947 -1.738 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.101 -10.559 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.248 -8.632 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.623 -8.637 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.674 -7.088 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.255 -7.035 -2.365 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.892 -6.240 -0.095 1.00 0.00 H new ATOM 626 N GLY A 37 5.265 -10.052 1.243 1.00 0.00 N ATOM 627 CA GLY A 37 6.442 -10.829 1.646 1.00 0.00 C ATOM 628 C GLY A 37 7.765 -10.046 1.639 1.00 0.00 C ATOM 629 O GLY A 37 8.758 -10.528 2.181 1.00 0.00 O ATOM 0 H GLY A 37 4.911 -9.458 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.274 -11.222 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.540 -11.686 0.980 1.00 0.00 H new ATOM 633 N ARG A 38 7.807 -8.837 1.062 1.00 0.00 N ATOM 634 CA ARG A 38 8.909 -7.855 1.174 1.00 0.00 C ATOM 635 C ARG A 38 8.778 -7.039 2.474 1.00 0.00 C ATOM 636 O ARG A 38 7.867 -7.283 3.262 1.00 0.00 O ATOM 637 CB ARG A 38 8.893 -6.934 -0.071 1.00 0.00 C ATOM 638 CG ARG A 38 10.300 -6.532 -0.540 1.00 0.00 C ATOM 639 CD ARG A 38 10.893 -7.526 -1.547 1.00 0.00 C ATOM 640 NE ARG A 38 12.372 -7.536 -1.527 1.00 0.00 N ATOM 641 CZ ARG A 38 13.218 -6.850 -2.279 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.860 -5.887 -3.072 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.481 -7.149 -2.235 1.00 0.00 N ATOM 0 H ARG A 38 7.043 -8.496 0.478 1.00 0.00 H new ATOM 0 HA ARG A 38 9.864 -8.379 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.376 -7.442 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.321 -6.034 0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.258 -5.542 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.960 -6.459 0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.523 -8.527 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.548 -7.273 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 38 12.798 -8.157 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.878 -5.621 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.561 -5.396 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.806 -7.902 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.148 -6.631 -2.807 1.00 0.00 H new ATOM 657 N HIS A 39 9.647 -6.051 2.698 1.00 0.00 N ATOM 658 CA HIS A 39 9.567 -5.172 3.877 1.00 0.00 C ATOM 659 C HIS A 39 9.419 -3.683 3.537 1.00 0.00 C ATOM 660 O HIS A 39 9.784 -3.244 2.450 1.00 0.00 O ATOM 661 CB HIS A 39 10.740 -5.402 4.839 1.00 0.00 C ATOM 662 CG HIS A 39 10.869 -6.820 5.325 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.309 -7.883 4.573 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.554 -7.285 6.573 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.206 -8.987 5.334 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.759 -8.669 6.559 1.00 0.00 N ATOM 0 H HIS A 39 10.424 -5.835 2.073 1.00 0.00 H new ATOM 0 HA HIS A 39 8.644 -5.458 4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.666 -5.115 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.624 -4.744 5.700 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.651 -7.842 3.613 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.212 -6.695 7.410 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.448 -9.987 5.006 1.00 0.00 H new ATOM 674 N SER A 40 8.891 -2.917 4.496 1.00 0.00 N ATOM 675 CA SER A 40 8.654 -1.475 4.423 1.00 0.00 C ATOM 676 C SER A 40 9.962 -0.702 4.199 1.00 0.00 C ATOM 677 O SER A 40 10.814 -0.631 5.091 1.00 0.00 O ATOM 678 CB SER A 40 7.808 -1.004 5.622 1.00 0.00 C ATOM 679 OG SER A 40 8.526 -0.756 6.820 1.00 0.00 O ATOM 0 H SER A 40 8.602 -3.309 5.392 1.00 0.00 H new ATOM 0 HA SER A 40 8.054 -1.247 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.285 -0.091 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.047 -1.758 5.825 1.00 0.00 H new ATOM 0 HG SER A 40 8.997 0.100 6.748 1.00 0.00 H new ATOM 685 N GLY A 41 10.162 -0.245 2.959 1.00 0.00 N ATOM 686 CA GLY A 41 11.465 0.230 2.479 1.00 0.00 C ATOM 687 C GLY A 41 12.337 -0.796 1.731 1.00 0.00 C ATOM 688 O GLY A 41 13.548 -0.796 1.939 1.00 0.00 O ATOM 0 H GLY A 41 9.423 -0.194 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.296 1.080 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.030 0.599 3.335 1.00 0.00 H new ATOM 692 N GLN A 42 11.782 -1.648 0.854 1.00 0.00 N ATOM 693 CA GLN A 42 12.532 -2.609 0.022 1.00 0.00 C ATOM 694 C GLN A 42 12.115 -2.609 -1.467 1.00 0.00 C ATOM 695 O GLN A 42 11.686 -3.627 -2.018 1.00 0.00 O ATOM 696 CB GLN A 42 12.500 -4.027 0.627 1.00 0.00 C ATOM 697 CG GLN A 42 13.235 -4.151 1.969 1.00 0.00 C ATOM 698 CD GLN A 42 13.569 -5.607 2.333 1.00 0.00 C ATOM 699 OE1 GLN A 42 12.769 -6.526 2.194 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.766 -5.891 2.807 1.00 0.00 N ATOM 0 H GLN A 42 10.775 -1.690 0.698 1.00 0.00 H new ATOM 0 HA GLN A 42 13.565 -2.262 0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.462 -4.329 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.943 -4.724 -0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.157 -3.571 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.620 -3.716 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.454 -5.148 2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 42 15.004 -6.853 3.047 1.00 0.00 H new ATOM 709 N ALA A 43 12.341 -1.485 -2.148 1.00 0.00 N ATOM 710 CA ALA A 43 12.441 -1.399 -3.611 1.00 0.00 C ATOM 711 C ALA A 43 13.805 -0.819 -4.039 1.00 0.00 C ATOM 712 O ALA A 43 14.063 0.377 -3.882 1.00 0.00 O ATOM 713 CB ALA A 43 11.249 -0.624 -4.192 1.00 0.00 C ATOM 0 H ALA A 43 12.463 -0.583 -1.688 1.00 0.00 H new ATOM 0 HA ALA A 43 12.392 -2.405 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.343 -0.572 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.322 -1.134 -3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.236 0.385 -3.780 1.00 0.00 H new ATOM 719 N GLU A 44 14.688 -1.684 -4.541 1.00 0.00 N ATOM 720 CA GLU A 44 16.037 -1.383 -5.032 1.00 0.00 C ATOM 721 C GLU A 44 16.046 -0.384 -6.208 1.00 0.00 C ATOM 722 O GLU A 44 16.152 -0.764 -7.373 1.00 0.00 O ATOM 723 CB GLU A 44 16.778 -2.682 -5.419 1.00 0.00 C ATOM 724 CG GLU A 44 17.186 -3.581 -4.238 1.00 0.00 C ATOM 725 CD GLU A 44 16.080 -4.487 -3.675 1.00 0.00 C ATOM 726 OE1 GLU A 44 14.903 -4.411 -4.090 1.00 0.00 O ATOM 727 OE2 GLU A 44 16.373 -5.302 -2.775 1.00 0.00 O ATOM 0 H GLU A 44 14.468 -2.677 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 44 16.564 -0.899 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 44 16.141 -3.258 -6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 44 17.674 -2.417 -5.979 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.018 -4.209 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.555 -2.946 -3.433 1.00 0.00 H new ATOM 734 N GLY A 45 15.976 0.914 -5.896 1.00 0.00 N ATOM 735 CA GLY A 45 16.172 2.002 -6.864 1.00 0.00 C ATOM 736 C GLY A 45 15.440 3.317 -6.574 1.00 0.00 C ATOM 737 O GLY A 45 15.683 4.296 -7.276 1.00 0.00 O ATOM 0 H GLY A 45 15.779 1.245 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.239 2.213 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.858 1.646 -7.845 1.00 0.00 H new ATOM 741 N TYR A 46 14.563 3.374 -5.562 1.00 0.00 N ATOM 742 CA TYR A 46 13.720 4.544 -5.259 1.00 0.00 C ATOM 743 C TYR A 46 13.833 4.995 -3.795 1.00 0.00 C ATOM 744 O TYR A 46 13.763 4.191 -2.872 1.00 0.00 O ATOM 745 CB TYR A 46 12.280 4.258 -5.702 1.00 0.00 C ATOM 746 CG TYR A 46 11.408 5.501 -5.730 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.841 5.995 -4.541 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.202 6.191 -6.941 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.039 7.153 -4.572 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.376 7.333 -6.982 1.00 0.00 C ATOM 751 CZ TYR A 46 9.785 7.814 -5.795 1.00 0.00 C ATOM 752 OH TYR A 46 8.994 8.919 -5.812 1.00 0.00 O ATOM 0 H TYR A 46 14.415 2.596 -4.919 1.00 0.00 H new ATOM 0 HA TYR A 46 14.085 5.398 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.294 3.809 -6.695 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.837 3.526 -5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.020 5.487 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.680 5.843 -7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.616 7.538 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.196 7.838 -7.920 1.00 0.00 H new ATOM 0 HH TYR A 46 8.361 8.856 -6.557 1.00 0.00 H new ATOM 762 N SER A 47 14.027 6.299 -3.577 1.00 0.00 N ATOM 763 CA SER A 47 14.277 6.903 -2.259 1.00 0.00 C ATOM 764 C SER A 47 13.018 7.010 -1.381 1.00 0.00 C ATOM 765 O SER A 47 12.239 7.961 -1.496 1.00 0.00 O ATOM 766 CB SER A 47 14.930 8.281 -2.418 1.00 0.00 C ATOM 767 OG SER A 47 16.188 8.130 -3.047 1.00 0.00 O ATOM 0 H SER A 47 14.015 6.985 -4.332 1.00 0.00 H new ATOM 0 HA SER A 47 14.957 6.228 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.290 8.934 -3.011 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.052 8.754 -1.443 1.00 0.00 H new ATOM 0 HG SER A 47 16.609 9.009 -3.152 1.00 0.00 H new ATOM 773 N TYR A 48 12.850 6.033 -0.484 1.00 0.00 N ATOM 774 CA TYR A 48 11.916 5.970 0.654 1.00 0.00 C ATOM 775 C TYR A 48 12.148 7.077 1.723 1.00 0.00 C ATOM 776 O TYR A 48 12.777 8.105 1.455 1.00 0.00 O ATOM 777 CB TYR A 48 12.043 4.564 1.272 1.00 0.00 C ATOM 778 CG TYR A 48 11.407 3.455 0.468 1.00 0.00 C ATOM 779 CD1 TYR A 48 12.148 2.752 -0.495 1.00 0.00 C ATOM 780 CD2 TYR A 48 10.080 3.080 0.745 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.567 1.658 -1.160 1.00 0.00 C ATOM 782 CE2 TYR A 48 9.516 1.965 0.108 1.00 0.00 C ATOM 783 CZ TYR A 48 10.266 1.226 -0.827 1.00 0.00 C ATOM 784 OH TYR A 48 9.763 0.082 -1.361 1.00 0.00 O ATOM 0 H TYR A 48 13.415 5.186 -0.538 1.00 0.00 H new ATOM 0 HA TYR A 48 10.907 6.155 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.101 4.336 1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.593 4.577 2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.160 3.050 -0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.494 3.652 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.121 1.144 -1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.502 1.672 0.336 1.00 0.00 H new ATOM 0 HH TYR A 48 9.168 0.303 -2.107 1.00 0.00 H new ATOM 794 N THR A 49 11.610 6.900 2.934 1.00 0.00 N ATOM 795 CA THR A 49 11.963 7.631 4.163 1.00 0.00 C ATOM 796 C THR A 49 12.685 6.729 5.162 1.00 0.00 C ATOM 797 O THR A 49 12.384 5.540 5.251 1.00 0.00 O ATOM 798 CB THR A 49 10.716 8.192 4.864 1.00 0.00 C ATOM 799 OG1 THR A 49 9.718 7.213 5.048 1.00 0.00 O ATOM 800 CG2 THR A 49 10.094 9.326 4.069 1.00 0.00 C ATOM 0 H THR A 49 10.878 6.208 3.096 1.00 0.00 H new ATOM 0 HA THR A 49 12.616 8.446 3.851 1.00 0.00 H new ATOM 0 HB THR A 49 11.065 8.548 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.395 6.907 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.215 9.699 4.594 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.819 10.132 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.801 8.962 3.084 1.00 0.00 H new ATOM 808 N ASP A 50 13.575 7.316 5.974 1.00 0.00 N ATOM 809 CA ASP A 50 14.191 6.640 7.125 1.00 0.00 C ATOM 810 C ASP A 50 13.125 6.042 8.053 1.00 0.00 C ATOM 811 O ASP A 50 13.140 4.839 8.301 1.00 0.00 O ATOM 812 CB ASP A 50 15.096 7.607 7.897 1.00 0.00 C ATOM 813 CG ASP A 50 15.754 6.870 9.068 1.00 0.00 C ATOM 814 OD1 ASP A 50 15.108 6.769 10.135 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.868 6.347 8.861 1.00 0.00 O ATOM 0 H ASP A 50 13.890 8.278 5.850 1.00 0.00 H new ATOM 0 HA ASP A 50 14.802 5.821 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.860 8.014 7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.513 8.451 8.266 1.00 0.00 H new ATOM 820 N ALA A 51 12.149 6.863 8.463 1.00 0.00 N ATOM 821 CA ALA A 51 11.021 6.464 9.301 1.00 0.00 C ATOM 822 C ALA A 51 10.329 5.185 8.810 1.00 0.00 C ATOM 823 O ALA A 51 9.993 4.331 9.627 1.00 0.00 O ATOM 824 CB ALA A 51 10.035 7.637 9.384 1.00 0.00 C ATOM 0 H ALA A 51 12.126 7.851 8.211 1.00 0.00 H new ATOM 0 HA ALA A 51 11.401 6.223 10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.186 7.355 10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.534 8.502 9.821 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.683 7.888 8.383 1.00 0.00 H new ATOM 830 N ASN A 52 10.143 5.027 7.496 1.00 0.00 N ATOM 831 CA ASN A 52 9.597 3.817 6.890 1.00 0.00 C ATOM 832 C ASN A 52 10.578 2.640 6.935 1.00 0.00 C ATOM 833 O ASN A 52 10.257 1.576 7.468 1.00 0.00 O ATOM 834 CB ASN A 52 9.168 4.182 5.467 1.00 0.00 C ATOM 835 CG ASN A 52 8.456 3.071 4.747 1.00 0.00 C ATOM 836 OD1 ASN A 52 8.343 1.949 5.188 1.00 0.00 O ATOM 837 ND2 ASN A 52 7.915 3.374 3.603 1.00 0.00 N ATOM 0 H ASN A 52 10.373 5.751 6.815 1.00 0.00 H new ATOM 0 HA ASN A 52 8.736 3.465 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.516 5.054 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.049 4.469 4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.397 2.667 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.008 4.318 3.229 1.00 0.00 H new ATOM 844 N ILE A 53 11.792 2.833 6.411 1.00 0.00 N ATOM 845 CA ILE A 53 12.839 1.804 6.340 1.00 0.00 C ATOM 846 C ILE A 53 13.117 1.214 7.710 1.00 0.00 C ATOM 847 O ILE A 53 13.007 0.005 7.897 1.00 0.00 O ATOM 848 CB ILE A 53 14.134 2.373 5.726 1.00 0.00 C ATOM 849 CG1 ILE A 53 13.953 2.799 4.250 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.304 1.368 5.825 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.017 3.812 3.797 1.00 0.00 C ATOM 0 H ILE A 53 12.083 3.727 6.015 1.00 0.00 H new ATOM 0 HA ILE A 53 12.475 1.007 5.692 1.00 0.00 H new ATOM 0 HB ILE A 53 14.372 3.260 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.000 1.917 3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 53 12.962 3.234 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.198 1.806 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.495 1.134 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.045 0.454 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.845 4.078 2.754 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.954 4.707 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.008 3.370 3.900 1.00 0.00 H new ATOM 863 N LYS A 54 13.435 2.068 8.682 1.00 0.00 N ATOM 864 CA LYS A 54 13.687 1.711 10.078 1.00 0.00 C ATOM 865 C LYS A 54 12.459 1.153 10.799 1.00 0.00 C ATOM 866 O LYS A 54 12.611 0.676 11.923 1.00 0.00 O ATOM 867 CB LYS A 54 14.246 2.938 10.812 1.00 0.00 C ATOM 868 CG LYS A 54 15.668 3.282 10.326 1.00 0.00 C ATOM 869 CD LYS A 54 16.452 4.174 11.302 1.00 0.00 C ATOM 870 CE LYS A 54 17.208 3.399 12.388 1.00 0.00 C ATOM 871 NZ LYS A 54 16.295 2.713 13.334 1.00 0.00 N ATOM 0 H LYS A 54 13.528 3.069 8.511 1.00 0.00 H new ATOM 0 HA LYS A 54 14.416 0.901 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.588 3.792 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.263 2.746 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.222 2.357 10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.602 3.784 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.164 4.775 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.760 4.867 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.859 2.662 11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.850 4.086 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.810 2.482 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.495 3.338 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.939 1.837 12.900 1.00 0.00 H new ATOM 885 N LYS A 55 11.273 1.179 10.175 1.00 0.00 N ATOM 886 CA LYS A 55 10.066 0.499 10.699 1.00 0.00 C ATOM 887 C LYS A 55 9.946 -0.951 10.210 1.00 0.00 C ATOM 888 O LYS A 55 9.296 -1.745 10.894 1.00 0.00 O ATOM 889 CB LYS A 55 8.813 1.363 10.427 1.00 0.00 C ATOM 890 CG LYS A 55 7.580 0.987 11.267 1.00 0.00 C ATOM 891 CD LYS A 55 6.650 -0.029 10.583 1.00 0.00 C ATOM 892 CE LYS A 55 5.922 -0.925 11.592 1.00 0.00 C ATOM 893 NZ LYS A 55 6.875 -1.793 12.329 1.00 0.00 N ATOM 0 H LYS A 55 11.117 1.669 9.294 1.00 0.00 H new ATOM 0 HA LYS A 55 10.160 0.406 11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.060 2.408 10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.555 1.283 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.913 0.577 12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.014 1.891 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.916 0.504 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.233 -0.651 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.369 -0.306 12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.191 -1.544 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.430 -2.714 12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.731 -1.934 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.132 -1.340 13.229 1.00 0.00 H new ATOM 907 N ASN A 56 10.592 -1.270 9.083 1.00 0.00 N ATOM 908 CA ASN A 56 10.715 -2.547 8.370 1.00 0.00 C ATOM 909 C ASN A 56 9.602 -3.567 8.677 1.00 0.00 C ATOM 910 O ASN A 56 9.833 -4.646 9.219 1.00 0.00 O ATOM 911 CB ASN A 56 12.163 -3.082 8.512 1.00 0.00 C ATOM 912 CG ASN A 56 12.755 -3.417 7.153 1.00 0.00 C ATOM 913 OD1 ASN A 56 12.938 -4.559 6.782 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.057 -2.431 6.347 1.00 0.00 N ATOM 0 H ASN A 56 11.108 -0.544 8.585 1.00 0.00 H new ATOM 0 HA ASN A 56 10.541 -2.360 7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.783 -2.336 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.166 -3.971 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.440 -2.627 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.909 -1.466 6.644 1.00 0.00 H new ATOM 921 N VAL A 57 8.358 -3.217 8.342 1.00 0.00 N ATOM 922 CA VAL A 57 7.216 -4.138 8.419 1.00 0.00 C ATOM 923 C VAL A 57 7.269 -5.096 7.243 1.00 0.00 C ATOM 924 O VAL A 57 7.377 -4.649 6.109 1.00 0.00 O ATOM 925 CB VAL A 57 5.866 -3.380 8.514 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.864 -3.555 7.370 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.163 -3.841 9.793 1.00 0.00 C ATOM 0 H VAL A 57 8.111 -2.285 8.009 1.00 0.00 H new ATOM 0 HA VAL A 57 7.286 -4.719 9.338 1.00 0.00 H new ATOM 0 HB VAL A 57 6.149 -2.328 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.970 -2.966 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.314 -3.217 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.593 -4.607 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.208 -3.325 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.991 -4.916 9.746 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.789 -3.610 10.655 1.00 0.00 H new ATOM 937 N LEU A 58 7.192 -6.400 7.510 1.00 0.00 N ATOM 938 CA LEU A 58 6.988 -7.443 6.500 1.00 0.00 C ATOM 939 C LEU A 58 5.559 -7.352 5.944 1.00 0.00 C ATOM 940 O LEU A 58 4.605 -7.753 6.613 1.00 0.00 O ATOM 941 CB LEU A 58 7.304 -8.820 7.115 1.00 0.00 C ATOM 942 CG LEU A 58 7.511 -9.946 6.078 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.100 -11.175 6.780 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.211 -10.393 5.401 1.00 0.00 C ATOM 0 H LEU A 58 7.271 -6.771 8.457 1.00 0.00 H new ATOM 0 HA LEU A 58 7.667 -7.301 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.203 -8.735 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.490 -9.102 7.783 1.00 0.00 H new ATOM 0 HG LEU A 58 8.175 -9.541 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.248 -11.973 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.057 -10.913 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.414 -11.514 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.428 -11.186 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.517 -10.765 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.762 -9.547 4.881 1.00 0.00 H new ATOM 956 N TRP A 59 5.395 -6.772 4.760 1.00 0.00 N ATOM 957 CA TRP A 59 4.088 -6.526 4.144 1.00 0.00 C ATOM 958 C TRP A 59 3.267 -7.814 3.926 1.00 0.00 C ATOM 959 O TRP A 59 3.618 -8.685 3.135 1.00 0.00 O ATOM 960 CB TRP A 59 4.263 -5.739 2.839 1.00 0.00 C ATOM 961 CG TRP A 59 4.758 -4.329 2.974 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.854 -3.818 2.359 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.190 -3.225 3.747 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.978 -2.483 2.675 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.031 -2.088 3.587 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.068 -3.058 4.592 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.819 -0.881 4.261 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.835 -1.846 5.269 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.717 -0.761 5.121 1.00 0.00 C ATOM 0 H TRP A 59 6.177 -6.453 4.189 1.00 0.00 H new ATOM 0 HA TRP A 59 3.507 -5.926 4.845 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.957 -6.286 2.200 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.304 -5.717 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.526 -4.372 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.686 -1.864 2.280 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.376 -3.877 4.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.496 -0.051 4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.970 -1.749 5.908 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.548 0.157 5.665 1.00 0.00 H new ATOM 980 N ASP A 60 2.141 -7.904 4.629 1.00 0.00 N ATOM 981 CA ASP A 60 1.112 -8.954 4.599 1.00 0.00 C ATOM 982 C ASP A 60 -0.270 -8.293 4.406 1.00 0.00 C ATOM 983 O ASP A 60 -0.395 -7.074 4.503 1.00 0.00 O ATOM 984 CB ASP A 60 1.228 -9.794 5.890 1.00 0.00 C ATOM 985 CG ASP A 60 -0.107 -10.356 6.379 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.598 -11.294 5.722 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.713 -9.732 7.282 1.00 0.00 O ATOM 0 H ASP A 60 1.898 -7.176 5.300 1.00 0.00 H new ATOM 0 HA ASP A 60 1.250 -9.639 3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.918 -10.620 5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.663 -9.177 6.677 1.00 0.00 H new ATOM 992 N GLU A 61 -1.311 -9.076 4.132 1.00 0.00 N ATOM 993 CA GLU A 61 -2.699 -8.654 3.898 1.00 0.00 C ATOM 994 C GLU A 61 -3.315 -7.926 5.115 1.00 0.00 C ATOM 995 O GLU A 61 -3.941 -6.870 4.958 1.00 0.00 O ATOM 996 CB GLU A 61 -3.520 -9.896 3.483 1.00 0.00 C ATOM 997 CG GLU A 61 -3.102 -10.414 2.091 1.00 0.00 C ATOM 998 CD GLU A 61 -3.626 -11.822 1.751 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.755 -11.969 1.228 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -2.842 -12.795 1.811 1.00 0.00 O ATOM 0 H GLU A 61 -1.206 -10.088 4.062 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.717 -7.919 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.384 -10.686 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.581 -9.646 3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.459 -9.715 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.014 -10.421 2.031 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.109 -8.443 6.332 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.523 -7.801 7.586 1.00 0.00 C ATOM 1009 C ASN A 62 -2.509 -6.748 8.064 1.00 0.00 C ATOM 1010 O ASN A 62 -2.891 -5.648 8.460 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.761 -8.883 8.661 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.240 -9.084 8.936 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.982 -8.145 9.165 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -5.723 -10.304 8.942 1.00 0.00 N ATOM 0 H ASN A 62 -2.640 -9.337 6.476 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.454 -7.264 7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.320 -9.825 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.255 -8.598 9.583 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.712 -10.460 9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.110 -11.096 8.751 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.213 -7.044 7.984 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.120 -6.171 8.426 1.00 0.00 C ATOM 1023 C ASN A 63 -0.038 -4.856 7.619 1.00 0.00 C ATOM 1024 O ASN A 63 0.171 -3.782 8.177 1.00 0.00 O ATOM 1025 CB ASN A 63 1.166 -7.011 8.339 1.00 0.00 C ATOM 1026 CG ASN A 63 2.245 -6.613 9.317 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.022 -6.092 10.389 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.476 -6.926 9.005 1.00 0.00 N ATOM 0 H ASN A 63 -0.881 -7.927 7.597 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.287 -5.834 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.912 -8.058 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.565 -6.936 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.233 -6.731 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.679 -7.365 8.107 1.00 0.00 H new ATOM 1035 N MET A 64 -0.294 -4.901 6.305 1.00 0.00 N ATOM 1036 CA MET A 64 -0.504 -3.701 5.481 1.00 0.00 C ATOM 1037 C MET A 64 -1.763 -2.936 5.911 1.00 0.00 C ATOM 1038 O MET A 64 -1.794 -1.705 5.883 1.00 0.00 O ATOM 1039 CB MET A 64 -0.600 -4.091 3.996 1.00 0.00 C ATOM 1040 CG MET A 64 -0.612 -2.873 3.067 1.00 0.00 C ATOM 1041 SD MET A 64 -0.948 -3.246 1.324 1.00 0.00 S ATOM 1042 CE MET A 64 0.569 -4.133 0.886 1.00 0.00 C ATOM 0 H MET A 64 -0.362 -5.773 5.781 1.00 0.00 H new ATOM 0 HA MET A 64 0.351 -3.041 5.625 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.243 -4.732 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.506 -4.675 3.835 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.364 -2.169 3.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.353 -2.371 3.137 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.495 -4.497 -0.139 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.422 -3.460 0.971 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.705 -4.978 1.562 1.00 0.00 H new ATOM 1052 N SER A 65 -2.809 -3.669 6.300 1.00 0.00 N ATOM 1053 CA SER A 65 -4.091 -3.135 6.754 1.00 0.00 C ATOM 1054 C SER A 65 -4.057 -2.456 8.127 1.00 0.00 C ATOM 1055 O SER A 65 -5.017 -1.748 8.429 1.00 0.00 O ATOM 1056 CB SER A 65 -5.163 -4.223 6.715 1.00 0.00 C ATOM 1057 OG SER A 65 -5.320 -4.628 5.376 1.00 0.00 O ATOM 0 H SER A 65 -2.783 -4.689 6.307 1.00 0.00 H new ATOM 0 HA SER A 65 -4.339 -2.339 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.871 -5.069 7.338 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.105 -3.845 7.112 1.00 0.00 H new ATOM 0 HG SER A 65 -4.601 -5.249 5.135 1.00 0.00 H new ATOM 1063 N GLU A 66 -2.998 -2.606 8.930 1.00 0.00 N ATOM 1064 CA GLU A 66 -2.698 -1.736 10.079 1.00 0.00 C ATOM 1065 C GLU A 66 -2.233 -0.343 9.602 1.00 0.00 C ATOM 1066 O GLU A 66 -2.910 0.661 9.840 1.00 0.00 O ATOM 1067 CB GLU A 66 -1.660 -2.410 11.002 1.00 0.00 C ATOM 1068 CG GLU A 66 -1.536 -1.639 12.327 1.00 0.00 C ATOM 1069 CD GLU A 66 -0.542 -2.235 13.341 1.00 0.00 C ATOM 1070 OE1 GLU A 66 0.314 -3.072 12.967 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.570 -1.735 14.490 1.00 0.00 O ATOM 0 H GLU A 66 -2.311 -3.348 8.799 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.608 -1.588 10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.956 -3.440 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.691 -2.447 10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.235 -0.615 12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.520 -1.589 12.793 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.127 -0.287 8.848 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.613 0.926 8.190 1.00 0.00 C ATOM 1080 C TYR A 67 -1.708 1.677 7.423 1.00 0.00 C ATOM 1081 O TYR A 67 -1.983 2.839 7.712 1.00 0.00 O ATOM 1082 CB TYR A 67 0.555 0.543 7.266 1.00 0.00 C ATOM 1083 CG TYR A 67 1.182 1.658 6.442 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.806 2.741 7.085 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.234 1.567 5.037 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.516 3.706 6.346 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.965 2.514 4.292 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.638 3.567 4.947 1.00 0.00 C ATOM 1089 OH TYR A 67 3.434 4.414 4.236 1.00 0.00 O ATOM 0 H TYR A 67 -0.547 -1.107 8.673 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.256 1.611 8.959 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.337 0.094 7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.205 -0.228 6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.740 2.834 8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.712 0.769 4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.966 4.550 6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.010 2.433 3.216 1.00 0.00 H new ATOM 0 HH TYR A 67 2.994 4.645 3.392 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.398 1.016 6.490 1.00 0.00 N ATOM 1100 CA LEU A 68 -3.483 1.613 5.703 1.00 0.00 C ATOM 1101 C LEU A 68 -4.651 2.153 6.547 1.00 0.00 C ATOM 1102 O LEU A 68 -5.377 3.022 6.064 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.008 0.586 4.687 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.033 0.223 3.555 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.665 -0.871 2.694 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -2.716 1.408 2.653 1.00 0.00 C ATOM 0 H LEU A 68 -2.218 0.040 6.256 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.052 2.477 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.274 -0.326 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.925 0.974 4.244 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.104 -0.108 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.983 -1.138 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.861 -1.750 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.602 -0.506 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.023 1.095 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.636 1.775 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.261 2.203 3.244 1.00 0.00 H new ATOM 1118 N THR A 69 -4.837 1.697 7.792 1.00 0.00 N ATOM 1119 CA THR A 69 -5.847 2.247 8.713 1.00 0.00 C ATOM 1120 C THR A 69 -5.506 3.657 9.207 1.00 0.00 C ATOM 1121 O THR A 69 -6.409 4.465 9.424 1.00 0.00 O ATOM 1122 CB THR A 69 -6.105 1.277 9.885 1.00 0.00 C ATOM 1123 OG1 THR A 69 -7.492 1.037 9.964 1.00 0.00 O ATOM 1124 CG2 THR A 69 -5.680 1.717 11.290 1.00 0.00 C ATOM 0 H THR A 69 -4.291 0.934 8.193 1.00 0.00 H new ATOM 0 HA THR A 69 -6.771 2.349 8.143 1.00 0.00 H new ATOM 0 HB THR A 69 -5.483 0.417 9.639 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.676 0.420 10.703 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.925 0.933 12.007 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.605 1.899 11.305 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.207 2.632 11.559 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.221 3.980 9.403 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.765 5.299 9.867 1.00 0.00 C ATOM 1134 C ASN A 70 -2.243 5.507 9.611 1.00 0.00 C ATOM 1135 O ASN A 70 -1.460 5.612 10.569 1.00 0.00 O ATOM 1136 CB ASN A 70 -4.155 5.464 11.359 1.00 0.00 C ATOM 1137 CG ASN A 70 -4.213 6.916 11.792 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -5.238 7.432 12.222 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.117 7.627 11.713 1.00 0.00 N ATOM 0 H ASN A 70 -3.457 3.324 9.242 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.260 6.082 9.293 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.126 4.999 11.530 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.434 4.933 11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.120 8.603 12.008 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.260 7.205 11.356 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.795 5.657 8.350 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.393 5.444 7.961 1.00 0.00 C ATOM 1148 C PRO A 71 0.562 6.439 8.609 1.00 0.00 C ATOM 1149 O PRO A 71 1.627 6.065 9.090 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.370 5.547 6.430 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.606 6.386 6.116 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.604 5.931 7.174 1.00 0.00 C ATOM 0 HA PRO A 71 -0.043 4.472 8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.542 6.025 6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.420 4.565 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.399 7.454 6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.974 6.201 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.347 6.703 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.147 5.043 6.851 1.00 0.00 H new ATOM 1160 N LYS A 72 0.123 7.695 8.717 1.00 0.00 N ATOM 1161 CA LYS A 72 0.844 8.819 9.317 1.00 0.00 C ATOM 1162 C LYS A 72 1.164 8.636 10.813 1.00 0.00 C ATOM 1163 O LYS A 72 2.053 9.314 11.314 1.00 0.00 O ATOM 1164 CB LYS A 72 0.012 10.083 9.026 1.00 0.00 C ATOM 1165 CG LYS A 72 0.774 11.396 9.255 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.060 12.657 8.972 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.416 12.858 7.490 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.737 12.290 7.117 1.00 0.00 N ATOM 0 H LYS A 72 -0.796 7.970 8.369 1.00 0.00 H new ATOM 0 HA LYS A 72 1.835 8.899 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.332 10.050 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.876 10.075 9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.123 11.427 10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.659 11.407 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.982 12.607 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.491 13.530 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.411 13.924 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.356 12.398 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.007 12.631 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.678 11.252 7.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.452 12.590 7.810 1.00 0.00 H new ATOM 1182 N LYS A 73 0.459 7.747 11.534 1.00 0.00 N ATOM 1183 CA LYS A 73 0.819 7.363 12.917 1.00 0.00 C ATOM 1184 C LYS A 73 1.783 6.177 12.931 1.00 0.00 C ATOM 1185 O LYS A 73 2.744 6.177 13.689 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.423 7.058 13.785 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.011 6.774 15.248 1.00 0.00 C ATOM 1188 CD LYS A 73 -1.149 6.318 16.170 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.529 5.973 17.537 1.00 0.00 C ATOM 1190 NZ LYS A 73 -1.500 5.383 18.496 1.00 0.00 N ATOM 0 H LYS A 73 -0.373 7.275 11.180 1.00 0.00 H new ATOM 0 HA LYS A 73 1.321 8.225 13.356 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.111 7.903 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.955 6.198 13.378 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.764 6.008 15.248 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.434 7.677 15.665 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.895 7.105 16.276 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.658 5.450 15.750 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.293 5.273 17.388 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.103 6.877 17.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.018 5.175 19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.273 6.057 18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.889 4.504 18.100 1.00 0.00 H new ATOM 1204 N TYR A 74 1.468 5.145 12.148 1.00 0.00 N ATOM 1205 CA TYR A 74 2.157 3.855 12.159 1.00 0.00 C ATOM 1206 C TYR A 74 3.607 3.935 11.669 1.00 0.00 C ATOM 1207 O TYR A 74 4.497 3.275 12.199 1.00 0.00 O ATOM 1208 CB TYR A 74 1.358 2.896 11.278 1.00 0.00 C ATOM 1209 CG TYR A 74 1.782 1.463 11.471 1.00 0.00 C ATOM 1210 CD1 TYR A 74 1.533 0.855 12.713 1.00 0.00 C ATOM 1211 CD2 TYR A 74 2.437 0.748 10.446 1.00 0.00 C ATOM 1212 CE1 TYR A 74 1.950 -0.461 12.942 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.797 -0.597 10.656 1.00 0.00 C ATOM 1214 CZ TYR A 74 2.548 -1.201 11.908 1.00 0.00 C ATOM 1215 OH TYR A 74 2.835 -2.504 12.132 1.00 0.00 O ATOM 0 H TYR A 74 0.706 5.185 11.471 1.00 0.00 H new ATOM 0 HA TYR A 74 2.212 3.505 13.190 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.297 2.994 11.506 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.486 3.174 10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.020 1.403 13.490 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.661 1.230 9.506 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.812 -0.909 13.915 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.262 -1.164 9.863 1.00 0.00 H new ATOM 0 HH TYR A 74 2.031 -2.966 12.448 1.00 0.00 H new ATOM 1225 N ILE A 75 3.829 4.805 10.688 1.00 0.00 N ATOM 1226 CA ILE A 75 5.147 5.265 10.267 1.00 0.00 C ATOM 1227 C ILE A 75 5.189 6.787 10.477 1.00 0.00 C ATOM 1228 O ILE A 75 4.815 7.540 9.572 1.00 0.00 O ATOM 1229 CB ILE A 75 5.459 4.816 8.825 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.291 3.284 8.679 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.896 5.239 8.502 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.674 2.699 7.313 1.00 0.00 C ATOM 0 H ILE A 75 3.071 5.222 10.147 1.00 0.00 H new ATOM 0 HA ILE A 75 5.939 4.815 10.866 1.00 0.00 H new ATOM 0 HB ILE A 75 4.765 5.284 8.127 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.895 2.796 9.444 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.251 3.030 8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.145 4.934 7.486 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.984 6.322 8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.582 4.762 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.517 1.620 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.054 3.149 6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.723 2.912 7.107 1.00 0.00 H new ATOM 1244 N PRO A 76 5.566 7.269 11.677 1.00 0.00 N ATOM 1245 CA PRO A 76 5.538 8.689 12.006 1.00 0.00 C ATOM 1246 C PRO A 76 6.609 9.438 11.201 1.00 0.00 C ATOM 1247 O PRO A 76 7.777 9.473 11.582 1.00 0.00 O ATOM 1248 CB PRO A 76 5.729 8.757 13.526 1.00 0.00 C ATOM 1249 CG PRO A 76 6.557 7.513 13.838 1.00 0.00 C ATOM 1250 CD PRO A 76 6.067 6.496 12.808 1.00 0.00 C ATOM 0 HA PRO A 76 4.603 9.180 11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.246 9.669 13.825 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.774 8.745 14.051 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.625 7.705 13.737 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.391 7.165 14.857 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.876 5.835 12.499 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.282 5.866 13.226 1.00 0.00 H new ATOM 1258 N GLY A 77 6.212 10.007 10.059 1.00 0.00 N ATOM 1259 CA GLY A 77 7.108 10.716 9.137 1.00 0.00 C ATOM 1260 C GLY A 77 7.235 10.105 7.738 1.00 0.00 C ATOM 1261 O GLY A 77 8.005 10.624 6.935 1.00 0.00 O ATOM 0 H GLY A 77 5.242 9.988 9.743 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.757 11.743 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.100 10.761 9.586 1.00 0.00 H new ATOM 1265 N THR A 78 6.498 9.035 7.408 1.00 0.00 N ATOM 1266 CA THR A 78 6.405 8.546 6.018 1.00 0.00 C ATOM 1267 C THR A 78 5.992 9.657 5.049 1.00 0.00 C ATOM 1268 O THR A 78 5.176 10.513 5.394 1.00 0.00 O ATOM 1269 CB THR A 78 5.414 7.374 5.898 1.00 0.00 C ATOM 1270 OG1 THR A 78 5.348 6.904 4.568 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.977 7.711 6.314 1.00 0.00 C ATOM 0 H THR A 78 5.958 8.490 8.080 1.00 0.00 H new ATOM 0 HA THR A 78 7.402 8.199 5.748 1.00 0.00 H new ATOM 0 HB THR A 78 5.808 6.624 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.732 6.143 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.348 6.828 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.965 8.030 7.356 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.595 8.514 5.684 1.00 0.00 H new ATOM 1279 N LYS A 79 6.443 9.596 3.787 1.00 0.00 N ATOM 1280 CA LYS A 79 5.873 10.432 2.719 1.00 0.00 C ATOM 1281 C LYS A 79 4.395 10.107 2.433 1.00 0.00 C ATOM 1282 O LYS A 79 3.744 10.911 1.774 1.00 0.00 O ATOM 1283 CB LYS A 79 6.697 10.341 1.423 1.00 0.00 C ATOM 1284 CG LYS A 79 8.060 11.037 1.451 1.00 0.00 C ATOM 1285 CD LYS A 79 8.701 11.028 0.049 1.00 0.00 C ATOM 1286 CE LYS A 79 10.224 10.861 0.117 1.00 0.00 C ATOM 1287 NZ LYS A 79 10.606 9.431 0.172 1.00 0.00 N ATOM 0 H LYS A 79 7.197 8.980 3.482 1.00 0.00 H new ATOM 0 HA LYS A 79 5.918 11.457 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.852 9.288 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.109 10.767 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.943 12.064 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.717 10.534 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.273 10.217 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.460 11.958 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.683 11.329 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.610 11.377 0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.571 9.344 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.944 8.918 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.571 9.025 -0.785 1.00 0.00 H new ATOM 1301 N MET A 80 3.819 8.992 2.912 1.00 0.00 N ATOM 1302 CA MET A 80 2.388 8.696 2.795 1.00 0.00 C ATOM 1303 C MET A 80 1.516 9.635 3.655 1.00 0.00 C ATOM 1304 O MET A 80 0.921 9.243 4.660 1.00 0.00 O ATOM 1305 CB MET A 80 2.135 7.207 3.084 1.00 0.00 C ATOM 1306 CG MET A 80 0.680 6.828 2.797 1.00 0.00 C ATOM 1307 SD MET A 80 0.384 5.150 2.159 1.00 0.00 S ATOM 1308 CE MET A 80 -1.414 5.055 2.344 1.00 0.00 C ATOM 0 H MET A 80 4.344 8.264 3.397 1.00 0.00 H new ATOM 0 HA MET A 80 2.081 8.893 1.768 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.800 6.597 2.473 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.371 6.991 4.126 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.109 6.948 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.278 7.541 2.078 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.773 4.112 1.932 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.675 5.111 3.401 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.879 5.884 1.811 1.00 0.00 H new ATOM 1318 N ALA A 81 1.370 10.882 3.204 1.00 0.00 N ATOM 1319 CA ALA A 81 0.580 11.948 3.820 1.00 0.00 C ATOM 1320 C ALA A 81 -0.941 11.690 3.867 1.00 0.00 C ATOM 1321 O ALA A 81 -1.705 12.517 4.363 1.00 0.00 O ATOM 1322 CB ALA A 81 0.916 13.259 3.100 1.00 0.00 C ATOM 0 H ALA A 81 1.828 11.193 2.347 1.00 0.00 H new ATOM 0 HA ALA A 81 0.857 11.998 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.340 14.073 3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.980 13.469 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.667 13.168 2.043 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.368 10.520 3.412 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.736 10.005 3.376 1.00 0.00 C ATOM 1330 C PHE A 82 -3.421 9.989 4.764 1.00 0.00 C ATOM 1331 O PHE A 82 -2.774 10.043 5.818 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.662 8.607 2.738 1.00 0.00 C ATOM 1333 CG PHE A 82 -3.992 7.946 2.435 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.736 8.337 1.307 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.465 6.906 3.254 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -5.942 7.682 0.994 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.674 6.258 2.948 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.414 6.647 1.820 1.00 0.00 C ATOM 0 H PHE A 82 -0.710 9.845 3.023 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.368 10.667 2.784 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.096 8.682 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.097 7.954 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.381 9.141 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.897 6.604 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.504 7.974 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.034 5.460 3.581 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.345 6.152 1.587 1.00 0.00 H new ATOM 1348 N GLY A 83 -4.756 9.913 4.759 1.00 0.00 N ATOM 1349 CA GLY A 83 -5.581 9.902 5.973 1.00 0.00 C ATOM 1350 C GLY A 83 -5.562 8.548 6.684 1.00 0.00 C ATOM 1351 O GLY A 83 -5.097 8.444 7.819 1.00 0.00 O ATOM 0 H GLY A 83 -5.302 9.857 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.225 10.672 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.608 10.157 5.712 1.00 0.00 H new ATOM 1355 N GLY A 84 -6.065 7.512 6.008 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.201 6.146 6.527 1.00 0.00 C ATOM 1357 C GLY A 84 -7.605 5.572 6.304 1.00 0.00 C ATOM 1358 O GLY A 84 -8.589 6.132 6.787 1.00 0.00 O ATOM 0 H GLY A 84 -6.401 7.603 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.467 5.502 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.975 6.141 7.593 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.727 4.452 5.585 1.00 0.00 N ATOM 1363 CA LEU A 85 -8.983 3.742 5.321 1.00 0.00 C ATOM 1364 C LEU A 85 -9.439 2.948 6.560 1.00 0.00 C ATOM 1365 O LEU A 85 -9.372 1.721 6.602 1.00 0.00 O ATOM 1366 CB LEU A 85 -8.819 2.801 4.106 1.00 0.00 C ATOM 1367 CG LEU A 85 -8.628 3.454 2.729 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -8.479 2.353 1.675 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -9.802 4.348 2.327 1.00 0.00 C ATOM 0 H LEU A 85 -6.922 3.997 5.154 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.752 4.480 5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.962 2.154 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.698 2.159 4.056 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.738 4.081 2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.343 2.806 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.613 1.736 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.375 1.733 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.610 4.781 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.715 3.754 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.919 5.147 3.060 1.00 0.00 H new ATOM 1381 N LYS A 86 -9.961 3.643 7.575 1.00 0.00 N ATOM 1382 CA LYS A 86 -10.416 3.025 8.839 1.00 0.00 C ATOM 1383 C LYS A 86 -11.593 2.050 8.682 1.00 0.00 C ATOM 1384 O LYS A 86 -11.774 1.173 9.521 1.00 0.00 O ATOM 1385 CB LYS A 86 -10.705 4.124 9.878 1.00 0.00 C ATOM 1386 CG LYS A 86 -9.389 4.832 10.229 1.00 0.00 C ATOM 1387 CD LYS A 86 -9.518 5.999 11.207 1.00 0.00 C ATOM 1388 CE LYS A 86 -8.108 6.585 11.325 1.00 0.00 C ATOM 1389 NZ LYS A 86 -8.025 7.721 12.270 1.00 0.00 N ATOM 0 H LYS A 86 -10.083 4.655 7.550 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.600 2.397 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.424 4.840 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.150 3.689 10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.702 4.099 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.936 5.199 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.224 6.744 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.886 5.661 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.422 5.802 11.648 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.775 6.915 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.028 7.909 12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.445 8.567 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.544 7.487 13.141 1.00 0.00 H new ATOM 1403 N LYS A 87 -12.364 2.157 7.592 1.00 0.00 N ATOM 1404 CA LYS A 87 -13.370 1.164 7.182 1.00 0.00 C ATOM 1405 C LYS A 87 -12.710 -0.168 6.828 1.00 0.00 C ATOM 1406 O LYS A 87 -12.011 -0.275 5.824 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.188 1.659 5.973 1.00 0.00 C ATOM 1408 CG LYS A 87 -15.560 2.247 6.319 1.00 0.00 C ATOM 1409 CD LYS A 87 -15.515 3.700 6.805 1.00 0.00 C ATOM 1410 CE LYS A 87 -16.965 4.161 7.010 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.064 5.595 7.382 1.00 0.00 N ATOM 0 H LYS A 87 -12.306 2.952 6.956 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.041 1.021 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.607 2.416 5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.329 0.827 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.200 2.190 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.023 1.632 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.953 3.776 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.010 4.333 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.530 3.988 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.428 3.555 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.064 5.853 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.549 5.759 8.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.648 6.179 6.628 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.009 -1.201 7.612 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.668 -2.599 7.311 1.00 0.00 C ATOM 1427 C GLU A 88 -13.042 -3.009 5.872 1.00 0.00 C ATOM 1428 O GLU A 88 -12.221 -3.600 5.174 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.377 -3.478 8.350 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.965 -4.949 8.287 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.577 -5.710 9.465 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.728 -6.191 9.354 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.925 -5.812 10.529 1.00 0.00 O ATOM 0 H GLU A 88 -13.507 -1.092 8.496 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.587 -2.729 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.164 -3.092 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.454 -3.404 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.297 -5.389 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.879 -5.033 8.313 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.250 -2.648 5.410 1.00 0.00 N ATOM 1441 CA LYS A 89 -14.787 -2.959 4.080 1.00 0.00 C ATOM 1442 C LYS A 89 -14.037 -2.330 2.900 1.00 0.00 C ATOM 1443 O LYS A 89 -13.735 -3.033 1.942 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.286 -2.652 4.042 1.00 0.00 C ATOM 1445 CG LYS A 89 -16.709 -1.185 4.246 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.147 -0.935 3.771 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.215 -0.941 2.234 1.00 0.00 C ATOM 1448 NZ LYS A 89 -19.595 -0.704 1.743 1.00 0.00 N ATOM 0 H LYS A 89 -14.904 -2.110 5.978 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.626 -4.027 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.675 -2.985 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.774 -3.254 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.625 -0.926 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.028 -0.531 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.808 -1.703 4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.501 0.022 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.551 -0.173 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.855 -1.898 1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.600 -0.715 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.224 -1.451 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.930 0.221 2.081 1.00 0.00 H new ATOM 1462 N ASP A 90 -13.694 -1.045 2.990 1.00 0.00 N ATOM 1463 CA ASP A 90 -12.861 -0.328 2.032 1.00 0.00 C ATOM 1464 C ASP A 90 -11.536 -1.068 1.827 1.00 0.00 C ATOM 1465 O ASP A 90 -11.129 -1.291 0.690 1.00 0.00 O ATOM 1466 CB ASP A 90 -12.578 1.087 2.555 1.00 0.00 C ATOM 1467 CG ASP A 90 -13.730 2.079 2.399 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.819 1.786 2.946 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.501 3.165 1.811 1.00 0.00 O ATOM 0 H ASP A 90 -14.002 -0.455 3.763 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.388 -0.269 1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.316 1.021 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.706 1.482 2.034 1.00 0.00 H new ATOM 1474 N ARG A 91 -10.885 -1.485 2.927 1.00 0.00 N ATOM 1475 CA ARG A 91 -9.650 -2.278 2.881 1.00 0.00 C ATOM 1476 C ARG A 91 -9.875 -3.706 2.387 1.00 0.00 C ATOM 1477 O ARG A 91 -9.081 -4.159 1.582 1.00 0.00 O ATOM 1478 CB ARG A 91 -8.899 -2.243 4.225 1.00 0.00 C ATOM 1479 CG ARG A 91 -8.605 -0.789 4.635 1.00 0.00 C ATOM 1480 CD ARG A 91 -7.397 -0.592 5.562 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.410 -1.384 6.805 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.284 -1.430 7.792 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -9.414 -0.786 7.809 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -7.980 -2.143 8.835 1.00 0.00 N ATOM 0 H ARG A 91 -11.204 -1.280 3.874 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.010 -1.802 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.495 -2.732 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.966 -2.801 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.446 -0.201 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.489 -0.384 5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.492 -0.837 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.333 0.464 5.826 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.607 -2.001 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.676 -0.194 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.038 -0.873 8.611 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.091 -2.642 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.630 -2.203 9.619 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.944 -4.399 2.785 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.255 -5.758 2.312 1.00 0.00 C ATOM 1500 C ASN A 92 -11.441 -5.827 0.784 1.00 0.00 C ATOM 1501 O ASN A 92 -10.851 -6.699 0.136 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.459 -6.324 3.086 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.018 -7.047 4.346 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -12.025 -8.264 4.401 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -11.583 -6.354 5.369 1.00 0.00 N ATOM 0 H ASN A 92 -11.626 -4.034 3.450 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.394 -6.393 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.138 -5.513 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.014 -7.010 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.252 -6.834 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.575 -5.335 5.328 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.178 -4.885 0.186 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.191 -4.711 -1.273 1.00 0.00 C ATOM 1514 C ASP A 93 -10.787 -4.436 -1.836 1.00 0.00 C ATOM 1515 O ASP A 93 -10.358 -5.142 -2.751 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.192 -3.617 -1.683 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.586 -4.167 -1.993 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.714 -5.178 -2.727 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.601 -3.566 -1.583 1.00 0.00 O ATOM 0 H ASP A 93 -12.775 -4.229 0.690 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.522 -5.652 -1.712 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.267 -2.882 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.811 -3.094 -2.560 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.060 -3.450 -1.289 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.702 -3.082 -1.710 1.00 0.00 C ATOM 1526 C LEU A 94 -7.756 -4.287 -1.743 1.00 0.00 C ATOM 1527 O LEU A 94 -7.153 -4.544 -2.772 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.137 -1.970 -0.795 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.631 -0.696 -1.491 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.519 -0.956 -2.503 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -8.775 0.051 -2.174 1.00 0.00 C ATOM 0 H LEU A 94 -10.409 -2.873 -0.524 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.771 -2.703 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.914 -1.685 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.315 -2.391 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.209 -0.080 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.211 -0.013 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.667 -1.412 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.884 -1.629 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.387 0.947 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.236 -0.594 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.520 0.334 -1.430 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.636 -5.032 -0.642 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.836 -6.259 -0.492 1.00 0.00 C ATOM 1545 C ILE A 95 -7.200 -7.264 -1.589 1.00 0.00 C ATOM 1546 O ILE A 95 -6.317 -7.725 -2.314 1.00 0.00 O ATOM 1547 CB ILE A 95 -7.054 -6.866 0.916 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.569 -5.935 2.052 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.342 -8.219 1.084 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -7.281 -6.252 3.375 1.00 0.00 C ATOM 0 H ILE A 95 -8.121 -4.785 0.221 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.779 -6.013 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.133 -7.000 0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.492 -6.045 2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.753 -4.896 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.525 -8.604 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.726 -8.926 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.270 -8.087 0.936 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.918 -5.581 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.356 -6.117 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.075 -7.284 3.661 1.00 0.00 H new ATOM 1562 N THR A 96 -8.498 -7.571 -1.741 1.00 0.00 N ATOM 1563 CA THR A 96 -8.984 -8.557 -2.724 1.00 0.00 C ATOM 1564 C THR A 96 -8.575 -8.192 -4.161 1.00 0.00 C ATOM 1565 O THR A 96 -8.322 -9.070 -4.984 1.00 0.00 O ATOM 1566 CB THR A 96 -10.517 -8.742 -2.653 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.968 -9.002 -1.340 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.984 -9.950 -3.470 1.00 0.00 C ATOM 0 H THR A 96 -9.241 -7.144 -1.187 1.00 0.00 H new ATOM 0 HA THR A 96 -8.508 -9.501 -2.458 1.00 0.00 H new ATOM 0 HB THR A 96 -10.920 -7.805 -3.037 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.925 -8.179 -0.810 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.067 -10.044 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.705 -9.813 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.513 -10.854 -3.084 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.473 -6.896 -4.468 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.859 -6.381 -5.698 1.00 0.00 C ATOM 1578 C TYR A 97 -6.321 -6.443 -5.684 1.00 0.00 C ATOM 1579 O TYR A 97 -5.717 -7.087 -6.539 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.342 -4.944 -5.931 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.498 -4.160 -6.917 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.523 -4.495 -8.284 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.634 -3.148 -6.457 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.720 -3.789 -9.197 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.802 -2.464 -7.364 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.864 -2.763 -8.741 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.086 -2.082 -9.619 1.00 0.00 O ATOM 0 H TYR A 97 -8.822 -6.158 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.173 -7.026 -6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.371 -4.972 -6.291 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.352 -4.416 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.160 -5.295 -8.632 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.609 -2.896 -5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.758 -4.032 -10.249 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.116 -1.710 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.968 -1.161 -9.305 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.680 -5.746 -4.741 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.249 -5.423 -4.759 1.00 0.00 C ATOM 1599 C LEU A 98 -3.420 -6.689 -4.840 1.00 0.00 C ATOM 1600 O LEU A 98 -2.535 -6.791 -5.675 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.844 -4.624 -3.506 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.652 -3.675 -3.766 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -3.103 -2.370 -4.429 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.936 -3.324 -2.460 1.00 0.00 C ATOM 0 H LEU A 98 -6.157 -5.379 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.060 -4.810 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.698 -4.042 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.584 -5.317 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.974 -4.205 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.238 -1.729 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.579 -2.593 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.814 -1.859 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.101 -2.655 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.634 -2.831 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.562 -4.235 -1.994 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.783 -7.675 -4.015 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.207 -9.022 -4.037 1.00 0.00 C ATOM 1618 C LYS A 99 -3.196 -9.616 -5.448 1.00 0.00 C ATOM 1619 O LYS A 99 -2.147 -10.052 -5.899 1.00 0.00 O ATOM 1620 CB LYS A 99 -3.951 -9.893 -3.020 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.442 -11.339 -3.007 1.00 0.00 C ATOM 1622 CD LYS A 99 -3.861 -12.009 -1.702 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.535 -13.503 -1.673 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.822 -14.051 -0.327 1.00 0.00 N ATOM 0 H LYS A 99 -4.500 -7.557 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.158 -8.977 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.838 -9.462 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.016 -9.888 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.848 -11.887 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.357 -11.356 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.361 -11.516 -0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.933 -11.872 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.125 -14.028 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.486 -13.661 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.880 -15.088 -0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.061 -13.780 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.727 -13.671 0.017 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.317 -9.557 -6.173 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.522 -10.037 -7.559 1.00 0.00 C ATOM 1640 C LYS A 100 -3.819 -9.215 -8.652 1.00 0.00 C ATOM 1641 O LYS A 100 -3.764 -9.623 -9.804 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.040 -10.106 -7.779 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.578 -10.932 -8.960 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.073 -12.376 -9.129 1.00 0.00 C ATOM 1645 CE LYS A 100 -6.191 -13.282 -7.888 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.908 -13.354 -7.158 1.00 0.00 N ATOM 0 H LYS A 100 -5.168 -9.146 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.050 -11.014 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.489 -10.501 -6.868 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.404 -9.085 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.664 -10.967 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.348 -10.390 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.625 -12.840 -9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.026 -12.341 -9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.968 -12.899 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.496 -14.283 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.907 -14.190 -6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.125 -13.426 -7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.788 -12.497 -6.582 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.286 -8.061 -8.275 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.292 -7.293 -9.040 1.00 0.00 C ATOM 1662 C ALA A 101 -0.819 -7.658 -8.703 1.00 0.00 C ATOM 1663 O ALA A 101 0.107 -7.128 -9.328 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.590 -5.796 -8.884 1.00 0.00 C ATOM 0 H ALA A 101 -3.538 -7.610 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.389 -7.567 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.858 -5.219 -9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.590 -5.583 -9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.535 -5.522 -7.830 1.00 0.00 H new ATOM 1670 N THR A 102 -0.597 -8.576 -7.752 1.00 0.00 N ATOM 1671 CA THR A 102 0.704 -9.174 -7.379 1.00 0.00 C ATOM 1672 C THR A 102 0.798 -10.668 -7.733 1.00 0.00 C ATOM 1673 O THR A 102 1.858 -11.106 -8.182 1.00 0.00 O ATOM 1674 CB THR A 102 1.063 -8.953 -5.893 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.474 -9.900 -5.027 1.00 0.00 O ATOM 1676 CG2 THR A 102 0.639 -7.588 -5.356 1.00 0.00 C ATOM 0 H THR A 102 -1.361 -8.946 -7.187 1.00 0.00 H new ATOM 0 HA THR A 102 1.440 -8.641 -7.982 1.00 0.00 H new ATOM 0 HB THR A 102 2.149 -9.047 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.469 -10.018 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.924 -7.505 -4.307 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.132 -6.803 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.442 -7.481 -5.448 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.314 -11.408 -7.608 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.502 -12.839 -7.935 1.00 0.00 C ATOM 1686 C GLU A 103 -1.580 -13.024 -9.011 1.00 0.00 C ATOM 1687 O GLU A 103 -1.196 -13.216 -10.180 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.770 -13.707 -6.668 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.775 -13.139 -5.639 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.532 -14.192 -4.795 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -1.956 -14.786 -3.859 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.772 -14.313 -4.989 1.00 0.00 O ATOM 1693 OXT GLU A 103 -2.780 -12.972 -8.650 1.00 0.00 O ATOM 0 H GLU A 103 -1.174 -10.994 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 103 0.437 -13.203 -8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.131 -14.683 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.181 -13.872 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.238 -12.474 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.507 -12.530 -6.170 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 0.744 4.716 -0.149 1.00 0.00 FE HETATM 1702 CHA HEC A 104 3.975 3.709 0.873 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.316 1.447 -0.148 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.392 5.835 -1.062 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.034 7.919 -0.787 1.00 0.00 C HETATM 1706 NA HEC A 104 1.666 2.894 0.313 1.00 0.00 N HETATM 1707 C1A HEC A 104 2.972 2.734 0.711 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.172 1.318 0.904 1.00 0.00 C HETATM 1709 C3A HEC A 104 1.988 0.681 0.602 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.024 1.693 0.228 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.754 -0.811 0.651 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.471 0.652 1.281 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.472 0.580 0.125 1.00 0.00 C HETATM 1714 CGA HEC A 104 6.747 -0.179 0.504 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.141 -0.148 1.692 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.421 -0.705 -0.405 1.00 0.00 O HETATM 1717 NB HEC A 104 -1.050 3.800 -0.525 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.252 2.455 -0.470 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.639 2.225 -0.818 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.241 3.461 -0.979 1.00 0.00 C HETATM 1721 C4B HEC A 104 -2.202 4.457 -0.861 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.293 0.870 -0.984 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.723 3.756 -1.165 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.530 3.356 0.069 1.00 0.00 C HETATM 1725 NC HEC A 104 -0.059 6.585 -0.738 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.364 6.777 -1.051 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.520 8.147 -1.475 1.00 0.00 C HETATM 1728 C3C HEC A 104 -0.266 8.725 -1.455 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.656 7.726 -0.950 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.790 8.729 -2.063 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.126 10.049 -2.088 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.338 11.263 -1.277 1.00 0.00 C HETATM 1733 ND HEC A 104 2.674 5.661 0.038 1.00 0.00 N HETATM 1734 C1D HEC A 104 2.913 6.951 -0.291 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.317 7.168 -0.102 1.00 0.00 C HETATM 1736 C3D HEC A 104 4.829 6.072 0.554 1.00 0.00 C HETATM 1737 C4D HEC A 104 3.811 5.047 0.490 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.070 8.335 -0.669 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.057 6.071 1.433 1.00 0.00 C HETATM 1740 CBD HEC A 104 7.388 5.799 0.735 1.00 0.00 C HETATM 1741 CGD HEC A 104 8.528 6.396 1.562 1.00 0.00 C HETATM 1742 O1D HEC A 104 8.876 5.836 2.627 1.00 0.00 O HETATM 1743 O2D HEC A 104 9.045 7.465 1.167 1.00 0.00 O HETATM 0 HMD3 HEC A 104 4.991 8.325 -1.756 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 4.648 9.263 -0.283 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.119 8.266 -0.381 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -3.049 8.191 -2.975 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.602 8.633 -1.342 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.634 9.782 -2.295 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.788 0.317 -1.776 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -3.220 0.314 -0.049 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.343 1.002 -1.247 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.437 -1.309 -0.037 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.930 -1.174 1.664 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.726 -1.028 0.362 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 7.535 4.726 0.614 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.383 6.234 -0.264 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -1.424 11.248 -1.189 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.107 11.228 -0.283 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.027 12.178 -1.782 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.410 2.288 0.252 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.172 3.914 0.934 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.584 3.580 -0.097 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.002 0.092 -0.729 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.734 1.590 -0.189 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.123 7.039 1.930 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 5.920 5.321 2.212 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 4.923 1.196 2.110 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.264 -0.357 1.637 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.449 8.888 -1.065 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.408 6.190 -1.238 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.650 0.410 -0.193 1.00 0.00 H new HETATM 0 HHA HEC A 104 4.924 3.409 1.317 1.00 0.00 H new HETATM 0 H2D HEC A 104 8.974 7.522 0.191 1.00 0.00 H new HETATM 0 H2A HEC A 104 8.309 -0.291 -0.435 1.00 0.00 H new