USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 45 ASN : amide:sc= 0.259 K(o=0.74,f=-0.04) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 179:sc= 0.482 (180deg=0.205) USER MOD Set 2.1: A 50 MET CE :methyl -141:sc= 0 (180deg=-1.11) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.0877 USER MOD Set 3.1: A 46 TYR OH : rot -55:sc= 0.15 USER MOD Set 3.2: A 101 HEC O2A : rot 180:sc= 0.144 USER MOD Set 4.1: A 29 HIS : no HD1:sc= 0.154 K(o=0.11,f=-1.8) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.0395 K(o=0.11,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= 0.215 (180deg=0.0332) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0115) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot -68:sc= 1.31 USER MOD Single : A 47 SER OG : rot -67:sc= 1.24 USER MOD Single : A 53 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.43) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 67 THR OG1 : rot 93:sc= 1.09 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -176:sc=-0.000305 (180deg=-0.0425) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.27 K(o=-0.27,f=-4.3!) USER MOD Single : A 95 TYR OH : rot 138:sc= 0.865 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 100 GLN : amide:sc= 0.533 K(o=0.53,f=0) USER MOD Single : A 101 HEC O2D : rot 40:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.705 0.326 -1.827 1.00 0.00 N ATOM 2 CA MET A 1 2.559 -0.200 -0.729 1.00 0.00 C ATOM 3 C MET A 1 3.739 -1.081 -1.249 1.00 0.00 C ATOM 4 O MET A 1 4.898 -0.747 -0.997 1.00 0.00 O ATOM 5 CB MET A 1 1.634 -0.878 0.319 1.00 0.00 C ATOM 6 CG MET A 1 2.288 -1.199 1.677 1.00 0.00 C ATOM 7 SD MET A 1 2.540 0.308 2.633 1.00 0.00 S ATOM 8 CE MET A 1 2.702 -0.418 4.274 1.00 0.00 C ATOM 0 H1 MET A 1 1.272 1.224 -1.530 1.00 0.00 H new ATOM 0 H2 MET A 1 2.287 0.486 -2.674 1.00 0.00 H new ATOM 0 H3 MET A 1 0.958 -0.363 -2.046 1.00 0.00 H new ATOM 0 HA MET A 1 3.081 0.616 -0.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.776 -0.229 0.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.251 -1.805 -0.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.657 -1.889 2.236 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.243 -1.699 1.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.865 0.372 5.007 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.790 -0.961 4.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.548 -1.105 4.286 1.00 0.00 H new ATOM 19 N ALA A 2 3.452 -2.191 -1.954 1.00 0.00 N ATOM 20 CA ALA A 2 4.485 -3.083 -2.549 1.00 0.00 C ATOM 21 C ALA A 2 4.567 -2.920 -4.099 1.00 0.00 C ATOM 22 O ALA A 2 4.016 -3.720 -4.864 1.00 0.00 O ATOM 23 CB ALA A 2 4.123 -4.518 -2.114 1.00 0.00 C ATOM 0 H ALA A 2 2.497 -2.502 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 2 5.483 -2.825 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.851 -5.217 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.132 -4.582 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.129 -4.771 -2.484 1.00 0.00 H new ATOM 29 N ASP A 3 5.267 -1.873 -4.565 1.00 0.00 N ATOM 30 CA ASP A 3 5.302 -1.502 -6.008 1.00 0.00 C ATOM 31 C ASP A 3 6.743 -1.752 -6.581 1.00 0.00 C ATOM 32 O ASP A 3 7.625 -0.923 -6.327 1.00 0.00 O ATOM 33 CB ASP A 3 4.848 -0.030 -6.230 1.00 0.00 C ATOM 34 CG ASP A 3 3.482 0.370 -5.672 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.560 0.799 -4.374 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.446 0.319 -6.328 1.00 0.00 O ATOM 0 H ASP A 3 5.822 -1.260 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 3 4.596 -2.133 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.599 0.626 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.845 0.165 -7.302 1.00 0.00 H new ATOM 41 N PRO A 4 7.044 -2.828 -7.367 1.00 0.00 N ATOM 42 CA PRO A 4 8.417 -3.071 -7.911 1.00 0.00 C ATOM 43 C PRO A 4 8.953 -2.066 -8.990 1.00 0.00 C ATOM 44 O PRO A 4 10.144 -1.744 -8.993 1.00 0.00 O ATOM 45 CB PRO A 4 8.318 -4.534 -8.388 1.00 0.00 C ATOM 46 CG PRO A 4 6.838 -4.790 -8.678 1.00 0.00 C ATOM 47 CD PRO A 4 6.073 -3.885 -7.711 1.00 0.00 C ATOM 0 HA PRO A 4 9.182 -2.897 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.923 -4.694 -9.281 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.689 -5.218 -7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.594 -4.554 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.582 -5.838 -8.521 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.179 -3.470 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.748 -4.431 -6.826 1.00 0.00 H new ATOM 55 N ALA A 5 8.064 -1.517 -9.837 1.00 0.00 N ATOM 56 CA ALA A 5 8.373 -0.357 -10.724 1.00 0.00 C ATOM 57 C ALA A 5 8.699 1.015 -10.032 1.00 0.00 C ATOM 58 O ALA A 5 9.432 1.826 -10.602 1.00 0.00 O ATOM 59 CB ALA A 5 7.184 -0.233 -11.695 1.00 0.00 C ATOM 0 H ALA A 5 7.108 -1.858 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 5 9.319 -0.574 -11.220 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.354 0.604 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.087 -1.153 -12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.268 -0.062 -11.129 1.00 0.00 H new ATOM 65 N ALA A 6 8.211 1.261 -8.803 1.00 0.00 N ATOM 66 CA ALA A 6 8.805 2.287 -7.899 1.00 0.00 C ATOM 67 C ALA A 6 10.089 1.840 -7.117 1.00 0.00 C ATOM 68 O ALA A 6 10.996 2.651 -6.927 1.00 0.00 O ATOM 69 CB ALA A 6 7.689 2.764 -6.957 1.00 0.00 C ATOM 0 H ALA A 6 7.410 0.770 -8.406 1.00 0.00 H new ATOM 0 HA ALA A 6 9.181 3.101 -8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.085 3.518 -6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.877 3.194 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.312 1.918 -6.381 1.00 0.00 H new ATOM 75 N GLY A 7 10.201 0.568 -6.688 1.00 0.00 N ATOM 76 CA GLY A 7 11.422 0.030 -6.026 1.00 0.00 C ATOM 77 C GLY A 7 12.753 0.012 -6.807 1.00 0.00 C ATOM 78 O GLY A 7 13.808 0.102 -6.183 1.00 0.00 O ATOM 0 H GLY A 7 9.454 -0.120 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.583 0.607 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.206 -0.994 -5.721 1.00 0.00 H new ATOM 82 N GLU A 8 12.705 -0.047 -8.145 1.00 0.00 N ATOM 83 CA GLU A 8 13.882 0.260 -9.018 1.00 0.00 C ATOM 84 C GLU A 8 14.487 1.699 -8.891 1.00 0.00 C ATOM 85 O GLU A 8 15.710 1.860 -8.871 1.00 0.00 O ATOM 86 CB GLU A 8 13.558 -0.110 -10.493 1.00 0.00 C ATOM 87 CG GLU A 8 12.405 0.640 -11.204 1.00 0.00 C ATOM 88 CD GLU A 8 12.162 0.189 -12.640 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.017 0.779 -13.521 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.294 -0.613 -12.968 1.00 0.00 O ATOM 0 H GLU A 8 11.865 -0.305 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 8 14.688 -0.370 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.464 0.041 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.331 -1.176 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.488 0.502 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.624 1.708 -11.202 1.00 0.00 H new ATOM 97 N LYS A 9 13.627 2.723 -8.786 1.00 0.00 N ATOM 98 CA LYS A 9 14.041 4.122 -8.475 1.00 0.00 C ATOM 99 C LYS A 9 14.328 4.428 -6.963 1.00 0.00 C ATOM 100 O LYS A 9 15.245 5.208 -6.695 1.00 0.00 O ATOM 101 CB LYS A 9 13.120 5.146 -9.196 1.00 0.00 C ATOM 102 CG LYS A 9 11.593 4.963 -9.055 1.00 0.00 C ATOM 103 CD LYS A 9 10.788 6.103 -9.709 1.00 0.00 C ATOM 104 CE LYS A 9 9.273 5.867 -9.617 1.00 0.00 C ATOM 105 NZ LYS A 9 8.541 6.989 -10.233 1.00 0.00 N ATOM 0 H LYS A 9 12.621 2.616 -8.913 1.00 0.00 H new ATOM 0 HA LYS A 9 15.038 4.244 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.374 6.141 -8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.363 5.126 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.303 4.015 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.336 4.904 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.038 7.047 -9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.077 6.196 -10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.012 4.935 -10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.978 5.761 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.518 6.816 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.777 7.872 -9.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.811 7.072 -11.234 1.00 0.00 H new ATOM 118 N VAL A 10 13.672 3.775 -5.974 1.00 0.00 N ATOM 119 CA VAL A 10 14.192 3.721 -4.558 1.00 0.00 C ATOM 120 C VAL A 10 15.596 3.004 -4.443 1.00 0.00 C ATOM 121 O VAL A 10 16.497 3.534 -3.785 1.00 0.00 O ATOM 122 CB VAL A 10 13.164 3.143 -3.516 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.590 3.441 -2.056 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.708 3.652 -3.634 1.00 0.00 C ATOM 0 H VAL A 10 12.791 3.279 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 10 14.338 4.767 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 10 13.180 2.081 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.853 3.025 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.563 2.989 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.655 4.519 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.095 3.183 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.689 4.734 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.312 3.398 -4.617 1.00 0.00 H new ATOM 134 N PHE A 11 15.817 1.859 -5.129 1.00 0.00 N ATOM 135 CA PHE A 11 17.178 1.297 -5.385 1.00 0.00 C ATOM 136 C PHE A 11 18.235 2.227 -6.084 1.00 0.00 C ATOM 137 O PHE A 11 19.430 1.960 -5.946 1.00 0.00 O ATOM 138 CB PHE A 11 16.987 -0.048 -6.142 1.00 0.00 C ATOM 139 CG PHE A 11 18.236 -0.937 -6.285 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.737 -1.607 -5.167 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.875 -1.093 -7.520 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.852 -2.430 -5.279 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.985 -1.932 -7.635 1.00 0.00 C ATOM 144 CZ PHE A 11 20.472 -2.599 -6.511 1.00 0.00 C ATOM 0 H PHE A 11 15.064 1.295 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 11 17.642 1.165 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.216 -0.622 -5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.609 0.173 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.255 -1.485 -4.208 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.509 -0.563 -8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.237 -2.939 -4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.466 -2.064 -8.593 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.331 -3.247 -6.598 1.00 0.00 H new ATOM 154 N GLY A 12 17.851 3.339 -6.740 1.00 0.00 N ATOM 155 CA GLY A 12 18.804 4.428 -7.103 1.00 0.00 C ATOM 156 C GLY A 12 19.711 5.041 -5.995 1.00 0.00 C ATOM 157 O GLY A 12 20.862 5.386 -6.263 1.00 0.00 O ATOM 0 H GLY A 12 16.890 3.515 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.457 4.045 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.223 5.241 -7.539 1.00 0.00 H new ATOM 161 N LYS A 13 19.207 5.121 -4.753 1.00 0.00 N ATOM 162 CA LYS A 13 20.041 5.378 -3.536 1.00 0.00 C ATOM 163 C LYS A 13 21.014 4.216 -3.112 1.00 0.00 C ATOM 164 O LYS A 13 22.090 4.485 -2.572 1.00 0.00 O ATOM 165 CB LYS A 13 19.083 5.758 -2.372 1.00 0.00 C ATOM 166 CG LYS A 13 18.385 7.133 -2.514 1.00 0.00 C ATOM 167 CD LYS A 13 17.333 7.445 -1.429 1.00 0.00 C ATOM 168 CE LYS A 13 15.980 6.742 -1.644 1.00 0.00 C ATOM 169 NZ LYS A 13 14.996 7.256 -0.667 1.00 0.00 N ATOM 0 H LYS A 13 18.214 5.012 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 13 20.720 6.193 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.317 4.987 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.648 5.750 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 13 19.146 7.913 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.903 7.180 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.731 7.153 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.169 8.522 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.625 6.916 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.095 5.664 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.082 6.781 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.334 7.068 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.878 8.281 -0.799 1.00 0.00 H new ATOM 182 N CYS A 14 20.645 2.945 -3.345 1.00 0.00 N ATOM 183 CA CYS A 14 21.536 1.773 -3.144 1.00 0.00 C ATOM 184 C CYS A 14 22.599 1.503 -4.268 1.00 0.00 C ATOM 185 O CYS A 14 23.701 1.040 -3.956 1.00 0.00 O ATOM 186 CB CYS A 14 20.622 0.533 -3.003 1.00 0.00 C ATOM 187 SG CYS A 14 19.065 0.817 -2.114 1.00 0.00 S ATOM 0 H CYS A 14 19.715 2.693 -3.680 1.00 0.00 H new ATOM 0 HA CYS A 14 22.134 1.988 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.389 0.158 -4.000 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.178 -0.251 -2.489 1.00 0.00 H new ATOM 192 N LYS A 15 22.264 1.720 -5.562 1.00 0.00 N ATOM 193 CA LYS A 15 23.036 1.155 -6.714 1.00 0.00 C ATOM 194 C LYS A 15 24.504 1.629 -6.981 1.00 0.00 C ATOM 195 O LYS A 15 25.258 0.911 -7.643 1.00 0.00 O ATOM 196 CB LYS A 15 22.168 1.160 -8.001 1.00 0.00 C ATOM 197 CG LYS A 15 21.928 2.529 -8.683 1.00 0.00 C ATOM 198 CD LYS A 15 21.150 2.480 -10.018 1.00 0.00 C ATOM 199 CE LYS A 15 19.765 1.809 -9.964 1.00 0.00 C ATOM 200 NZ LYS A 15 19.023 2.048 -11.217 1.00 0.00 N ATOM 0 H LYS A 15 21.462 2.284 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 15 23.239 0.140 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.637 0.497 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.197 0.729 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.385 3.171 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.894 3.000 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.024 3.500 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.759 1.953 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.880 0.737 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.198 2.200 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.092 1.588 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.896 3.071 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.557 1.654 -12.017 1.00 0.00 H new ATOM 213 N ALA A 16 24.931 2.782 -6.438 1.00 0.00 N ATOM 214 CA ALA A 16 26.379 3.121 -6.319 1.00 0.00 C ATOM 215 C ALA A 16 27.246 2.154 -5.438 1.00 0.00 C ATOM 216 O ALA A 16 28.414 1.920 -5.757 1.00 0.00 O ATOM 217 CB ALA A 16 26.450 4.576 -5.816 1.00 0.00 C ATOM 0 H ALA A 16 24.305 3.499 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 16 26.832 2.998 -7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.493 4.874 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.955 5.233 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.953 4.651 -4.849 1.00 0.00 H new ATOM 223 N CYS A 17 26.673 1.583 -4.361 1.00 0.00 N ATOM 224 CA CYS A 17 27.298 0.477 -3.599 1.00 0.00 C ATOM 225 C CYS A 17 26.911 -0.973 -4.057 1.00 0.00 C ATOM 226 O CYS A 17 27.799 -1.826 -4.111 1.00 0.00 O ATOM 227 CB CYS A 17 26.946 0.698 -2.118 1.00 0.00 C ATOM 228 SG CYS A 17 27.432 2.344 -1.516 1.00 0.00 S ATOM 0 H CYS A 17 25.767 1.872 -3.993 1.00 0.00 H new ATOM 0 HA CYS A 17 28.371 0.517 -3.786 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.872 0.569 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.438 -0.065 -1.515 1.00 0.00 H new ATOM 233 N HIS A 18 25.624 -1.279 -4.320 1.00 0.00 N ATOM 234 CA HIS A 18 25.147 -2.671 -4.587 1.00 0.00 C ATOM 235 C HIS A 18 24.726 -2.876 -6.075 1.00 0.00 C ATOM 236 O HIS A 18 23.924 -2.102 -6.604 1.00 0.00 O ATOM 237 CB HIS A 18 23.918 -2.967 -3.691 1.00 0.00 C ATOM 238 CG HIS A 18 24.179 -3.119 -2.197 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.574 -4.297 -1.629 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.809 -2.215 -1.200 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.348 -4.034 -0.313 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.827 -2.808 0.079 1.00 0.00 N ATOM 0 H HIS A 18 24.882 -0.580 -4.355 1.00 0.00 H new ATOM 0 HA HIS A 18 25.974 -3.347 -4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.195 -2.163 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.449 -3.883 -4.049 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.938 -5.142 -2.070 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.541 -1.185 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.575 -4.783 0.431 1.00 0.00 H new ATOM 250 N LYS A 19 25.181 -3.954 -6.740 1.00 0.00 N ATOM 251 CA LYS A 19 24.812 -4.207 -8.173 1.00 0.00 C ATOM 252 C LYS A 19 23.598 -5.167 -8.405 1.00 0.00 C ATOM 253 O LYS A 19 22.843 -4.946 -9.351 1.00 0.00 O ATOM 254 CB LYS A 19 26.049 -4.656 -8.999 1.00 0.00 C ATOM 255 CG LYS A 19 27.184 -3.609 -9.132 1.00 0.00 C ATOM 256 CD LYS A 19 28.121 -3.822 -10.344 1.00 0.00 C ATOM 257 CE LYS A 19 28.905 -5.147 -10.406 1.00 0.00 C ATOM 258 NZ LYS A 19 29.940 -5.225 -9.359 1.00 0.00 N ATOM 0 H LYS A 19 25.793 -4.660 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 19 24.461 -3.240 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.461 -5.556 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.715 -4.931 -9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.738 -2.617 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.782 -3.624 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.523 -3.741 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.840 -3.003 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.214 -5.983 -10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.372 -5.247 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.363 -6.175 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.678 -4.517 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.510 -5.038 -8.431 1.00 0.00 H new ATOM 271 N LEU A 20 23.469 -6.262 -7.627 1.00 0.00 N ATOM 272 CA LEU A 20 22.564 -7.428 -7.903 1.00 0.00 C ATOM 273 C LEU A 20 22.748 -8.276 -9.203 1.00 0.00 C ATOM 274 O LEU A 20 22.216 -9.385 -9.285 1.00 0.00 O ATOM 275 CB LEU A 20 21.097 -7.242 -7.418 1.00 0.00 C ATOM 276 CG LEU A 20 20.253 -6.082 -7.971 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.872 -6.259 -9.452 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.969 -5.922 -7.140 1.00 0.00 C ATOM 0 H LEU A 20 24.000 -6.375 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 20 23.016 -8.147 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.562 -8.166 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 20 21.123 -7.137 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 20 20.875 -5.190 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.277 -5.406 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.777 -6.323 -10.055 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.291 -7.174 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.378 -5.098 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.387 -6.843 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.231 -5.712 -6.103 1.00 0.00 H new ATOM 290 N ASP A 21 23.568 -7.830 -10.162 1.00 0.00 N ATOM 291 CA ASP A 21 23.827 -8.574 -11.431 1.00 0.00 C ATOM 292 C ASP A 21 25.021 -9.581 -11.290 1.00 0.00 C ATOM 293 O ASP A 21 26.048 -9.455 -11.969 1.00 0.00 O ATOM 294 CB ASP A 21 24.036 -7.540 -12.574 1.00 0.00 C ATOM 295 CG ASP A 21 22.830 -6.661 -12.910 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.859 -7.047 -13.552 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.953 -5.402 -12.408 1.00 0.00 O ATOM 0 H ASP A 21 24.076 -6.948 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 21 22.965 -9.195 -11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.869 -6.892 -12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.331 -8.078 -13.475 1.00 0.00 H new ATOM 302 N GLY A 22 24.904 -10.578 -10.387 1.00 0.00 N ATOM 303 CA GLY A 22 25.989 -11.575 -10.144 1.00 0.00 C ATOM 304 C GLY A 22 27.231 -11.122 -9.334 1.00 0.00 C ATOM 305 O GLY A 22 27.629 -11.813 -8.398 1.00 0.00 O ATOM 0 H GLY A 22 24.074 -10.721 -9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.548 -12.428 -9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.336 -11.933 -11.113 1.00 0.00 H new ATOM 309 N ASN A 23 27.857 -9.998 -9.716 1.00 0.00 N ATOM 310 CA ASN A 23 29.029 -9.420 -8.995 1.00 0.00 C ATOM 311 C ASN A 23 28.605 -8.324 -7.955 1.00 0.00 C ATOM 312 O ASN A 23 27.489 -7.797 -7.952 1.00 0.00 O ATOM 313 CB ASN A 23 30.064 -8.858 -10.010 1.00 0.00 C ATOM 314 CG ASN A 23 30.627 -9.832 -11.051 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.513 -10.632 -10.777 1.00 0.00 O ATOM 316 ND2 ASN A 23 30.142 -9.794 -12.269 1.00 0.00 N ATOM 0 H ASN A 23 27.574 -9.455 -10.532 1.00 0.00 H new ATOM 0 HA ASN A 23 29.496 -10.226 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.599 -8.028 -10.542 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.901 -8.446 -9.446 1.00 0.00 H new ATOM 0 HD21 ASN A 23 30.503 -10.428 -12.982 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.404 -9.130 -12.504 1.00 0.00 H new ATOM 323 N ASP A 24 29.536 -7.989 -7.053 1.00 0.00 N ATOM 324 CA ASP A 24 29.214 -7.333 -5.751 1.00 0.00 C ATOM 325 C ASP A 24 29.141 -5.769 -5.856 1.00 0.00 C ATOM 326 O ASP A 24 28.042 -5.214 -5.947 1.00 0.00 O ATOM 327 CB ASP A 24 30.185 -7.885 -4.655 1.00 0.00 C ATOM 328 CG ASP A 24 30.135 -9.398 -4.387 1.00 0.00 C ATOM 329 OD1 ASP A 24 30.486 -10.241 -5.207 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.680 -9.692 -3.135 1.00 0.00 O ATOM 0 H ASP A 24 30.532 -8.158 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 24 28.201 -7.595 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.204 -7.623 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 24 29.973 -7.367 -3.720 1.00 0.00 H new ATOM 335 N GLY A 25 30.297 -5.077 -5.849 1.00 0.00 N ATOM 336 CA GLY A 25 30.375 -3.591 -5.777 1.00 0.00 C ATOM 337 C GLY A 25 31.156 -3.100 -4.532 1.00 0.00 C ATOM 338 O GLY A 25 32.225 -3.625 -4.208 1.00 0.00 O ATOM 0 H GLY A 25 31.211 -5.528 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 25 30.857 -3.211 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.367 -3.178 -5.756 1.00 0.00 H new ATOM 342 N VAL A 26 30.608 -2.101 -3.824 1.00 0.00 N ATOM 343 CA VAL A 26 31.022 -1.784 -2.413 1.00 0.00 C ATOM 344 C VAL A 26 30.295 -2.742 -1.402 1.00 0.00 C ATOM 345 O VAL A 26 30.958 -3.358 -0.564 1.00 0.00 O ATOM 346 CB VAL A 26 30.821 -0.272 -2.029 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.389 0.088 -0.634 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.417 0.744 -3.028 1.00 0.00 C ATOM 0 H VAL A 26 29.877 -1.489 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 26 32.096 -1.959 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 26 29.735 -0.184 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.217 1.145 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.891 -0.512 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.460 -0.115 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.226 1.757 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.492 0.585 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.954 0.608 -4.005 1.00 0.00 H new ATOM 358 N GLY A 27 28.954 -2.859 -1.476 1.00 0.00 N ATOM 359 CA GLY A 27 28.216 -3.954 -0.807 1.00 0.00 C ATOM 360 C GLY A 27 28.050 -5.263 -1.637 1.00 0.00 C ATOM 361 O GLY A 27 28.427 -5.304 -2.812 1.00 0.00 O ATOM 0 H GLY A 27 28.359 -2.210 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.729 -4.198 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.225 -3.588 -0.538 1.00 0.00 H new ATOM 365 N PRO A 28 27.459 -6.359 -1.085 1.00 0.00 N ATOM 366 CA PRO A 28 27.171 -7.599 -1.858 1.00 0.00 C ATOM 367 C PRO A 28 26.071 -7.491 -2.963 1.00 0.00 C ATOM 368 O PRO A 28 25.259 -6.564 -3.000 1.00 0.00 O ATOM 369 CB PRO A 28 26.780 -8.571 -0.722 1.00 0.00 C ATOM 370 CG PRO A 28 26.172 -7.664 0.349 1.00 0.00 C ATOM 371 CD PRO A 28 27.109 -6.468 0.341 1.00 0.00 C ATOM 0 HA PRO A 28 28.022 -7.903 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.065 -9.318 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.648 -9.111 -0.342 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.149 -7.379 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.144 -8.150 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.622 -5.566 0.711 1.00 0.00 H new ATOM 0 HD3 PRO A 28 27.987 -6.634 0.965 1.00 0.00 H new ATOM 379 N HIS A 29 26.006 -8.496 -3.844 1.00 0.00 N ATOM 380 CA HIS A 29 24.891 -8.646 -4.819 1.00 0.00 C ATOM 381 C HIS A 29 23.551 -9.064 -4.120 1.00 0.00 C ATOM 382 O HIS A 29 23.465 -10.088 -3.433 1.00 0.00 O ATOM 383 CB HIS A 29 25.297 -9.616 -5.968 1.00 0.00 C ATOM 384 CG HIS A 29 25.900 -10.986 -5.621 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.183 -11.133 -5.111 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.360 -12.236 -5.957 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.306 -12.493 -5.203 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.257 -13.246 -5.656 1.00 0.00 N ATOM 0 H HIS A 29 26.713 -9.229 -3.911 1.00 0.00 H new ATOM 0 HA HIS A 29 24.699 -7.671 -5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.409 -9.794 -6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.015 -9.093 -6.599 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.382 -12.389 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.231 -12.972 -4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.163 -14.258 -5.746 1.00 0.00 H new ATOM 396 N LEU A 30 22.506 -8.239 -4.282 1.00 0.00 N ATOM 397 CA LEU A 30 21.209 -8.395 -3.548 1.00 0.00 C ATOM 398 C LEU A 30 20.081 -9.209 -4.278 1.00 0.00 C ATOM 399 O LEU A 30 18.920 -9.174 -3.860 1.00 0.00 O ATOM 400 CB LEU A 30 20.726 -6.968 -3.151 1.00 0.00 C ATOM 401 CG LEU A 30 21.579 -6.140 -2.154 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.856 -4.819 -1.845 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.884 -6.862 -0.830 1.00 0.00 C ATOM 0 H LEU A 30 22.520 -7.443 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 30 21.411 -9.019 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.631 -6.385 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.726 -7.064 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 30 22.539 -5.972 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.452 -4.233 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.721 -4.254 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.882 -5.032 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.484 -6.213 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.949 -7.105 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.435 -7.780 -1.035 1.00 0.00 H new ATOM 415 N ASN A 31 20.425 -9.992 -5.314 1.00 0.00 N ATOM 416 CA ASN A 31 19.473 -10.839 -6.087 1.00 0.00 C ATOM 417 C ASN A 31 18.753 -11.946 -5.246 1.00 0.00 C ATOM 418 O ASN A 31 19.340 -12.967 -4.873 1.00 0.00 O ATOM 419 CB ASN A 31 20.186 -11.402 -7.349 1.00 0.00 C ATOM 420 CG ASN A 31 21.491 -12.202 -7.212 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.051 -12.404 -6.137 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.020 -12.660 -8.322 1.00 0.00 N ATOM 0 H ASN A 31 21.385 -10.062 -5.651 1.00 0.00 H new ATOM 0 HA ASN A 31 18.652 -10.194 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.470 -12.040 -7.866 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.393 -10.557 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 31 22.895 -13.183 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.556 -12.493 -9.215 1.00 0.00 H new ATOM 429 N GLY A 32 17.478 -11.695 -4.906 1.00 0.00 N ATOM 430 CA GLY A 32 16.722 -12.555 -3.958 1.00 0.00 C ATOM 431 C GLY A 32 17.134 -12.491 -2.470 1.00 0.00 C ATOM 432 O GLY A 32 17.082 -13.515 -1.790 1.00 0.00 O ATOM 0 H GLY A 32 16.943 -10.906 -5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.667 -12.291 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.815 -13.589 -4.291 1.00 0.00 H new ATOM 436 N VAL A 33 17.505 -11.305 -1.954 1.00 0.00 N ATOM 437 CA VAL A 33 17.850 -11.119 -0.505 1.00 0.00 C ATOM 438 C VAL A 33 16.661 -11.245 0.524 1.00 0.00 C ATOM 439 O VAL A 33 16.894 -11.581 1.688 1.00 0.00 O ATOM 440 CB VAL A 33 18.749 -9.848 -0.321 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.005 -8.506 -0.481 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.507 -9.836 1.026 1.00 0.00 C ATOM 0 H VAL A 33 17.578 -10.451 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 33 18.440 -11.992 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 33 19.462 -9.932 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.705 -7.683 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.574 -8.446 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.210 -8.440 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.112 -8.932 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.790 -9.857 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.154 -10.711 1.087 1.00 0.00 H new ATOM 452 N VAL A 34 15.405 -11.011 0.100 1.00 0.00 N ATOM 453 CA VAL A 34 14.184 -11.197 0.941 1.00 0.00 C ATOM 454 C VAL A 34 13.934 -12.732 1.169 1.00 0.00 C ATOM 455 O VAL A 34 13.593 -13.465 0.236 1.00 0.00 O ATOM 456 CB VAL A 34 12.956 -10.470 0.285 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.696 -10.518 1.181 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.183 -8.981 -0.081 1.00 0.00 C ATOM 0 H VAL A 34 15.196 -10.684 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 34 14.329 -10.741 1.920 1.00 0.00 H new ATOM 0 HB VAL A 34 12.818 -11.035 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.875 -10.002 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.416 -11.556 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.907 -10.030 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.276 -8.573 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.429 -8.418 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.004 -8.903 -0.794 1.00 0.00 H new ATOM 468 N GLY A 35 14.161 -13.210 2.403 1.00 0.00 N ATOM 469 CA GLY A 35 14.320 -14.667 2.684 1.00 0.00 C ATOM 470 C GLY A 35 15.714 -15.316 2.456 1.00 0.00 C ATOM 471 O GLY A 35 15.773 -16.522 2.217 1.00 0.00 O ATOM 0 H GLY A 35 14.240 -12.618 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.041 -14.837 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.599 -15.205 2.068 1.00 0.00 H new ATOM 475 N ARG A 36 16.817 -14.554 2.566 1.00 0.00 N ATOM 476 CA ARG A 36 18.208 -15.066 2.390 1.00 0.00 C ATOM 477 C ARG A 36 19.080 -14.704 3.634 1.00 0.00 C ATOM 478 O ARG A 36 18.890 -13.649 4.253 1.00 0.00 O ATOM 479 CB ARG A 36 18.775 -14.430 1.090 1.00 0.00 C ATOM 480 CG ARG A 36 19.995 -15.138 0.448 1.00 0.00 C ATOM 481 CD ARG A 36 20.465 -14.510 -0.884 1.00 0.00 C ATOM 482 NE ARG A 36 21.253 -13.268 -0.653 1.00 0.00 N ATOM 483 CZ ARG A 36 21.751 -12.482 -1.609 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.509 -12.627 -2.889 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.528 -11.505 -1.254 1.00 0.00 N ATOM 0 H ARG A 36 16.779 -13.558 2.781 1.00 0.00 H new ATOM 0 HA ARG A 36 18.218 -16.153 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.974 -14.393 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.055 -13.399 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.824 -15.123 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.744 -16.184 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.072 -15.230 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 36 19.599 -14.283 -1.506 1.00 0.00 H new ATOM 0 HE ARG A 36 21.426 -12.996 0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.903 -13.382 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.927 -11.985 -3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.742 -11.356 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.925 -10.886 -1.961 1.00 0.00 H new ATOM 499 N THR A 37 20.058 -15.558 3.995 1.00 0.00 N ATOM 500 CA THR A 37 20.836 -15.404 5.261 1.00 0.00 C ATOM 501 C THR A 37 21.605 -14.052 5.430 1.00 0.00 C ATOM 502 O THR A 37 22.211 -13.512 4.498 1.00 0.00 O ATOM 503 CB THR A 37 21.676 -16.692 5.535 1.00 0.00 C ATOM 504 OG1 THR A 37 20.795 -17.791 5.766 1.00 0.00 O ATOM 505 CG2 THR A 37 22.614 -16.636 6.751 1.00 0.00 C ATOM 0 H THR A 37 20.335 -16.364 3.435 1.00 0.00 H new ATOM 0 HA THR A 37 20.109 -15.313 6.068 1.00 0.00 H new ATOM 0 HB THR A 37 22.298 -16.796 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.324 -17.660 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.146 -17.583 6.844 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.333 -15.828 6.619 1.00 0.00 H new ATOM 0 HG23 THR A 37 22.029 -16.458 7.654 1.00 0.00 H new ATOM 513 N VAL A 38 21.584 -13.536 6.674 1.00 0.00 N ATOM 514 CA VAL A 38 22.368 -12.339 7.080 1.00 0.00 C ATOM 515 C VAL A 38 23.888 -12.715 7.156 1.00 0.00 C ATOM 516 O VAL A 38 24.271 -13.664 7.845 1.00 0.00 O ATOM 517 CB VAL A 38 21.816 -11.725 8.412 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.521 -10.384 8.748 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.284 -11.507 8.468 1.00 0.00 C ATOM 0 H VAL A 38 21.026 -13.932 7.430 1.00 0.00 H new ATOM 0 HA VAL A 38 22.260 -11.556 6.330 1.00 0.00 H new ATOM 0 HB VAL A 38 22.044 -12.489 9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.116 -9.983 9.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.592 -10.554 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.351 -9.671 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.012 -11.079 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.984 -10.826 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.776 -12.463 8.339 1.00 0.00 H new ATOM 529 N ALA A 39 24.724 -12.017 6.365 1.00 0.00 N ATOM 530 CA ALA A 39 26.076 -12.510 5.956 1.00 0.00 C ATOM 531 C ALA A 39 26.159 -13.745 4.982 1.00 0.00 C ATOM 532 O ALA A 39 27.230 -14.339 4.822 1.00 0.00 O ATOM 533 CB ALA A 39 27.050 -12.582 7.154 1.00 0.00 C ATOM 0 H ALA A 39 24.494 -11.098 5.987 1.00 0.00 H new ATOM 0 HA ALA A 39 26.422 -11.726 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.020 -12.945 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.166 -11.589 7.589 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.652 -13.263 7.906 1.00 0.00 H new ATOM 539 N GLY A 40 25.076 -14.092 4.259 1.00 0.00 N ATOM 540 CA GLY A 40 25.046 -15.270 3.351 1.00 0.00 C ATOM 541 C GLY A 40 25.402 -15.004 1.874 1.00 0.00 C ATOM 542 O GLY A 40 24.556 -15.177 0.993 1.00 0.00 O ATOM 0 H GLY A 40 24.199 -13.571 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.736 -16.019 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.048 -15.706 3.389 1.00 0.00 H new ATOM 546 N VAL A 41 26.665 -14.638 1.613 1.00 0.00 N ATOM 547 CA VAL A 41 27.242 -14.574 0.234 1.00 0.00 C ATOM 548 C VAL A 41 28.700 -15.124 0.353 1.00 0.00 C ATOM 549 O VAL A 41 29.591 -14.441 0.872 1.00 0.00 O ATOM 550 CB VAL A 41 27.159 -13.139 -0.408 1.00 0.00 C ATOM 551 CG1 VAL A 41 27.934 -12.988 -1.739 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.708 -12.686 -0.695 1.00 0.00 C ATOM 0 H VAL A 41 27.328 -14.375 2.343 1.00 0.00 H new ATOM 0 HA VAL A 41 26.661 -15.182 -0.460 1.00 0.00 H new ATOM 0 HB VAL A 41 27.620 -12.514 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.823 -11.969 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 41 28.990 -13.200 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.536 -13.688 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.719 -11.690 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.239 -13.385 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.143 -12.664 0.237 1.00 0.00 H new ATOM 562 N ASP A 42 28.950 -16.347 -0.158 1.00 0.00 N ATOM 563 CA ASP A 42 30.303 -16.970 -0.144 1.00 0.00 C ATOM 564 C ASP A 42 31.246 -16.295 -1.198 1.00 0.00 C ATOM 565 O ASP A 42 31.094 -16.486 -2.408 1.00 0.00 O ATOM 566 CB ASP A 42 30.107 -18.495 -0.351 1.00 0.00 C ATOM 567 CG ASP A 42 31.371 -19.324 -0.130 1.00 0.00 C ATOM 568 OD1 ASP A 42 31.879 -19.511 0.970 1.00 0.00 O ATOM 569 OD2 ASP A 42 31.877 -19.823 -1.291 1.00 0.00 O ATOM 0 H ASP A 42 28.233 -16.931 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 42 30.809 -16.813 0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.332 -18.846 0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 42 29.744 -18.669 -1.364 1.00 0.00 H new ATOM 574 N GLY A 43 32.174 -15.455 -0.714 1.00 0.00 N ATOM 575 CA GLY A 43 32.882 -14.468 -1.576 1.00 0.00 C ATOM 576 C GLY A 43 33.100 -13.082 -0.927 1.00 0.00 C ATOM 577 O GLY A 43 34.219 -12.567 -0.954 1.00 0.00 O ATOM 0 H GLY A 43 32.458 -15.432 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.852 -14.880 -1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.314 -14.337 -2.497 1.00 0.00 H new ATOM 581 N PHE A 44 32.040 -12.469 -0.371 1.00 0.00 N ATOM 582 CA PHE A 44 32.136 -11.153 0.314 1.00 0.00 C ATOM 583 C PHE A 44 32.512 -11.314 1.826 1.00 0.00 C ATOM 584 O PHE A 44 31.838 -12.032 2.572 1.00 0.00 O ATOM 585 CB PHE A 44 30.775 -10.428 0.100 1.00 0.00 C ATOM 586 CG PHE A 44 30.772 -8.939 0.487 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.112 -7.957 -0.450 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.487 -8.560 1.802 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.169 -6.617 -0.072 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.560 -7.224 2.183 1.00 0.00 C ATOM 591 CZ PHE A 44 30.896 -6.252 1.244 1.00 0.00 C ATOM 0 H PHE A 44 31.098 -12.861 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 44 32.941 -10.552 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.492 -10.517 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.010 -10.942 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.331 -8.239 -1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.208 -9.310 2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.425 -5.861 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.356 -6.941 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.945 -5.214 1.537 1.00 0.00 H new ATOM 601 N ASN A 45 33.554 -10.597 2.290 1.00 0.00 N ATOM 602 CA ASN A 45 33.906 -10.544 3.736 1.00 0.00 C ATOM 603 C ASN A 45 33.022 -9.498 4.497 1.00 0.00 C ATOM 604 O ASN A 45 33.175 -8.283 4.338 1.00 0.00 O ATOM 605 CB ASN A 45 35.427 -10.274 3.871 1.00 0.00 C ATOM 606 CG ASN A 45 35.951 -10.411 5.309 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.843 -11.457 5.940 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.497 -9.368 5.886 1.00 0.00 N ATOM 0 H ASN A 45 34.169 -10.046 1.692 1.00 0.00 H new ATOM 0 HA ASN A 45 33.692 -11.502 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.969 -10.968 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.643 -9.269 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.826 -9.432 6.849 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.592 -8.492 5.372 1.00 0.00 H new ATOM 615 N TYR A 46 32.109 -10.001 5.337 1.00 0.00 N ATOM 616 CA TYR A 46 31.170 -9.158 6.125 1.00 0.00 C ATOM 617 C TYR A 46 31.747 -8.688 7.506 1.00 0.00 C ATOM 618 O TYR A 46 32.741 -9.208 8.025 1.00 0.00 O ATOM 619 CB TYR A 46 29.853 -9.972 6.305 1.00 0.00 C ATOM 620 CG TYR A 46 28.990 -10.148 5.047 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.023 -9.192 4.725 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.127 -11.285 4.243 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.180 -9.386 3.637 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.302 -11.464 3.136 1.00 0.00 C ATOM 625 CZ TYR A 46 27.320 -10.522 2.842 1.00 0.00 C ATOM 626 OH TYR A 46 26.471 -10.736 1.793 1.00 0.00 O ATOM 0 H TYR A 46 31.992 -11.002 5.497 1.00 0.00 H new ATOM 0 HA TYR A 46 30.989 -8.232 5.578 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.110 -10.960 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.249 -9.483 7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.930 -8.298 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.875 -12.026 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.417 -8.657 3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.424 -12.333 2.506 1.00 0.00 H new ATOM 0 HH TYR A 46 25.545 -10.713 2.112 1.00 0.00 H new ATOM 636 N SER A 47 31.068 -7.709 8.130 1.00 0.00 N ATOM 637 CA SER A 47 31.318 -7.307 9.538 1.00 0.00 C ATOM 638 C SER A 47 30.947 -8.394 10.605 1.00 0.00 C ATOM 639 O SER A 47 30.061 -9.232 10.401 1.00 0.00 O ATOM 640 CB SER A 47 30.563 -5.968 9.761 1.00 0.00 C ATOM 641 OG SER A 47 29.139 -6.098 9.689 1.00 0.00 O ATOM 0 H SER A 47 30.329 -7.170 7.678 1.00 0.00 H new ATOM 0 HA SER A 47 32.391 -7.184 9.687 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.834 -5.565 10.737 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.892 -5.245 9.014 1.00 0.00 H new ATOM 0 HG SER A 47 28.877 -6.325 8.772 1.00 0.00 H new ATOM 647 N ASP A 48 31.618 -8.346 11.772 1.00 0.00 N ATOM 648 CA ASP A 48 31.332 -9.259 12.920 1.00 0.00 C ATOM 649 C ASP A 48 29.852 -9.274 13.461 1.00 0.00 C ATOM 650 O ASP A 48 29.346 -10.390 13.607 1.00 0.00 O ATOM 651 CB ASP A 48 32.356 -9.020 14.063 1.00 0.00 C ATOM 652 CG ASP A 48 33.803 -9.382 13.729 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.034 -10.722 13.811 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.656 -8.559 13.415 1.00 0.00 O ATOM 0 H ASP A 48 32.370 -7.682 11.955 1.00 0.00 H new ATOM 0 HA ASP A 48 31.449 -10.261 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.318 -7.969 14.349 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.046 -9.598 14.933 1.00 0.00 H new ATOM 659 N PRO A 49 29.098 -8.160 13.732 1.00 0.00 N ATOM 660 CA PRO A 49 27.642 -8.235 14.060 1.00 0.00 C ATOM 661 C PRO A 49 26.683 -8.733 12.922 1.00 0.00 C ATOM 662 O PRO A 49 25.640 -9.315 13.223 1.00 0.00 O ATOM 663 CB PRO A 49 27.357 -6.805 14.557 1.00 0.00 C ATOM 664 CG PRO A 49 28.343 -5.916 13.800 1.00 0.00 C ATOM 665 CD PRO A 49 29.587 -6.772 13.602 1.00 0.00 C ATOM 0 HA PRO A 49 27.432 -9.014 14.793 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.327 -6.514 14.352 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.502 -6.726 15.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 27.930 -5.596 12.844 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.573 -5.013 14.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.038 -6.599 12.625 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.348 -6.547 14.349 1.00 0.00 H new ATOM 673 N MET A 50 27.034 -8.547 11.634 1.00 0.00 N ATOM 674 CA MET A 50 26.349 -9.219 10.490 1.00 0.00 C ATOM 675 C MET A 50 26.535 -10.777 10.467 1.00 0.00 C ATOM 676 O MET A 50 25.547 -11.513 10.388 1.00 0.00 O ATOM 677 CB MET A 50 26.848 -8.525 9.193 1.00 0.00 C ATOM 678 CG MET A 50 25.957 -8.730 7.953 1.00 0.00 C ATOM 679 SD MET A 50 24.458 -7.740 8.082 1.00 0.00 S ATOM 680 CE MET A 50 25.064 -6.134 7.531 1.00 0.00 C ATOM 0 H MET A 50 27.796 -7.931 11.349 1.00 0.00 H new ATOM 0 HA MET A 50 25.270 -9.104 10.590 1.00 0.00 H new ATOM 0 HB2 MET A 50 26.937 -7.455 9.384 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.849 -8.892 8.966 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.506 -8.453 7.053 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.696 -9.784 7.855 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.611 -5.348 8.135 1.00 0.00 H new ATOM 0 HE2 MET A 50 26.148 -6.097 7.641 1.00 0.00 H new ATOM 0 HE3 MET A 50 24.800 -5.985 6.484 1.00 0.00 H new ATOM 690 N LYS A 51 27.786 -11.269 10.588 1.00 0.00 N ATOM 691 CA LYS A 51 28.094 -12.710 10.823 1.00 0.00 C ATOM 692 C LYS A 51 27.477 -13.325 12.128 1.00 0.00 C ATOM 693 O LYS A 51 26.891 -14.408 12.065 1.00 0.00 O ATOM 694 CB LYS A 51 29.643 -12.875 10.797 1.00 0.00 C ATOM 695 CG LYS A 51 30.317 -12.748 9.409 1.00 0.00 C ATOM 696 CD LYS A 51 31.833 -12.491 9.513 1.00 0.00 C ATOM 697 CE LYS A 51 32.555 -12.579 8.158 1.00 0.00 C ATOM 698 NZ LYS A 51 33.904 -11.988 8.272 1.00 0.00 N ATOM 0 H LYS A 51 28.618 -10.683 10.526 1.00 0.00 H new ATOM 0 HA LYS A 51 27.615 -13.278 10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.079 -12.128 11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.891 -13.852 11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.144 -13.661 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.850 -11.934 8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 51 31.999 -11.503 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.272 -13.215 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.629 -13.619 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.981 -12.054 7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.395 -12.065 7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.823 -10.986 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.445 -12.497 9.000 1.00 0.00 H new ATOM 711 N ALA A 52 27.575 -12.640 13.287 1.00 0.00 N ATOM 712 CA ALA A 52 26.872 -13.046 14.537 1.00 0.00 C ATOM 713 C ALA A 52 25.305 -12.985 14.558 1.00 0.00 C ATOM 714 O ALA A 52 24.695 -13.729 15.329 1.00 0.00 O ATOM 715 CB ALA A 52 27.489 -12.212 15.674 1.00 0.00 C ATOM 0 H ALA A 52 28.138 -11.795 13.390 1.00 0.00 H new ATOM 0 HA ALA A 52 27.031 -14.119 14.646 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.008 -12.471 16.617 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.556 -12.422 15.741 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.340 -11.152 15.470 1.00 0.00 H new ATOM 721 N HIS A 53 24.650 -12.159 13.715 1.00 0.00 N ATOM 722 CA HIS A 53 23.185 -12.257 13.446 1.00 0.00 C ATOM 723 C HIS A 53 22.803 -13.596 12.722 1.00 0.00 C ATOM 724 O HIS A 53 22.130 -14.432 13.333 1.00 0.00 O ATOM 725 CB HIS A 53 22.742 -10.941 12.729 1.00 0.00 C ATOM 726 CG HIS A 53 21.240 -10.686 12.502 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.277 -11.666 12.297 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.673 -9.411 12.304 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.202 -10.885 11.983 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.333 -9.522 11.967 1.00 0.00 N ATOM 0 H HIS A 53 25.111 -11.408 13.201 1.00 0.00 H new ATOM 0 HA HIS A 53 22.616 -12.325 14.373 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.135 -10.103 13.305 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.231 -10.915 11.755 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.208 -8.478 12.401 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.251 -11.341 11.748 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.644 -8.798 11.765 1.00 0.00 H new ATOM 738 N GLY A 54 23.206 -13.808 11.450 1.00 0.00 N ATOM 739 CA GLY A 54 22.808 -15.021 10.684 1.00 0.00 C ATOM 740 C GLY A 54 21.296 -15.168 10.365 1.00 0.00 C ATOM 741 O GLY A 54 20.526 -14.205 10.377 1.00 0.00 O ATOM 0 H GLY A 54 23.802 -13.163 10.931 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.358 -15.027 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.126 -15.900 11.245 1.00 0.00 H new ATOM 745 N GLY A 55 20.856 -16.400 10.072 1.00 0.00 N ATOM 746 CA GLY A 55 19.405 -16.702 9.941 1.00 0.00 C ATOM 747 C GLY A 55 18.817 -16.309 8.576 1.00 0.00 C ATOM 748 O GLY A 55 19.136 -16.976 7.587 1.00 0.00 O ATOM 0 H GLY A 55 21.468 -17.202 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.248 -17.769 10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.861 -16.178 10.727 1.00 0.00 H new ATOM 752 N ASP A 56 17.989 -15.245 8.522 1.00 0.00 N ATOM 753 CA ASP A 56 17.418 -14.725 7.248 1.00 0.00 C ATOM 754 C ASP A 56 16.973 -13.230 7.322 1.00 0.00 C ATOM 755 O ASP A 56 16.480 -12.738 8.343 1.00 0.00 O ATOM 756 CB ASP A 56 16.211 -15.578 6.754 1.00 0.00 C ATOM 757 CG ASP A 56 16.550 -16.908 6.085 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.232 -17.008 5.071 1.00 0.00 O ATOM 759 OD2 ASP A 56 16.014 -17.972 6.743 1.00 0.00 O ATOM 0 H ASP A 56 17.696 -14.722 9.347 1.00 0.00 H new ATOM 0 HA ASP A 56 18.240 -14.799 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.563 -15.780 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.634 -14.978 6.050 1.00 0.00 H new ATOM 764 N TRP A 57 17.055 -12.547 6.164 1.00 0.00 N ATOM 765 CA TRP A 57 16.457 -11.203 5.964 1.00 0.00 C ATOM 766 C TRP A 57 14.945 -11.270 5.575 1.00 0.00 C ATOM 767 O TRP A 57 14.582 -11.301 4.397 1.00 0.00 O ATOM 768 CB TRP A 57 17.306 -10.428 4.909 1.00 0.00 C ATOM 769 CG TRP A 57 18.528 -9.669 5.438 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.845 -9.822 4.957 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.619 -8.784 6.508 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.763 -9.081 5.725 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.987 -8.476 6.697 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.644 -8.304 7.427 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.399 -7.779 7.855 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.074 -7.594 8.545 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.433 -7.354 8.767 1.00 0.00 C ATOM 0 H TRP A 57 17.536 -12.906 5.339 1.00 0.00 H new ATOM 0 HA TRP A 57 16.482 -10.662 6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.646 -11.139 4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.654 -9.715 4.404 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.115 -10.431 4.107 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.772 -9.007 5.594 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.593 -8.487 7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.445 -7.578 8.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.346 -7.223 9.252 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.740 -6.830 9.660 1.00 0.00 H new ATOM 788 N THR A 58 14.058 -11.249 6.582 1.00 0.00 N ATOM 789 CA THR A 58 12.576 -11.248 6.373 1.00 0.00 C ATOM 790 C THR A 58 12.006 -9.879 5.832 1.00 0.00 C ATOM 791 O THR A 58 12.622 -8.835 6.098 1.00 0.00 O ATOM 792 CB THR A 58 11.847 -11.657 7.698 1.00 0.00 C ATOM 793 OG1 THR A 58 12.122 -10.746 8.757 1.00 0.00 O ATOM 794 CG2 THR A 58 12.161 -13.069 8.220 1.00 0.00 C ATOM 0 H THR A 58 14.332 -11.232 7.564 1.00 0.00 H new ATOM 0 HA THR A 58 12.377 -11.983 5.593 1.00 0.00 H new ATOM 0 HB THR A 58 10.796 -11.636 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.649 -11.033 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.605 -13.249 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.872 -13.806 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.229 -13.154 8.419 1.00 0.00 H new ATOM 802 N PRO A 59 10.816 -9.793 5.148 1.00 0.00 N ATOM 803 CA PRO A 59 10.170 -8.484 4.793 1.00 0.00 C ATOM 804 C PRO A 59 9.531 -7.679 5.991 1.00 0.00 C ATOM 805 O PRO A 59 8.355 -7.310 6.007 1.00 0.00 O ATOM 806 CB PRO A 59 9.163 -8.948 3.718 1.00 0.00 C ATOM 807 CG PRO A 59 8.766 -10.368 4.119 1.00 0.00 C ATOM 808 CD PRO A 59 10.056 -10.971 4.671 1.00 0.00 C ATOM 0 HA PRO A 59 10.882 -7.732 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.293 -8.292 3.685 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.613 -8.931 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.975 -10.364 4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.394 -10.935 3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.856 -11.673 5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.604 -11.517 3.903 1.00 0.00 H new ATOM 816 N GLU A 60 10.371 -7.413 6.996 1.00 0.00 N ATOM 817 CA GLU A 60 9.990 -6.934 8.355 1.00 0.00 C ATOM 818 C GLU A 60 11.319 -6.599 9.117 1.00 0.00 C ATOM 819 O GLU A 60 11.553 -5.432 9.443 1.00 0.00 O ATOM 820 CB GLU A 60 9.071 -7.942 9.109 1.00 0.00 C ATOM 821 CG GLU A 60 8.514 -7.418 10.456 1.00 0.00 C ATOM 822 CD GLU A 60 7.630 -8.428 11.182 1.00 0.00 C ATOM 823 OE1 GLU A 60 6.362 -8.460 10.673 1.00 0.00 O ATOM 824 OE2 GLU A 60 8.024 -9.124 12.113 1.00 0.00 O ATOM 0 H GLU A 60 11.380 -7.526 6.894 1.00 0.00 H new ATOM 0 HA GLU A 60 9.378 -6.035 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.234 -8.206 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.632 -8.858 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.347 -7.145 11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.940 -6.509 10.274 1.00 0.00 H new ATOM 831 N ALA A 61 12.234 -7.582 9.312 1.00 0.00 N ATOM 832 CA ALA A 61 13.664 -7.309 9.628 1.00 0.00 C ATOM 833 C ALA A 61 14.421 -6.386 8.614 1.00 0.00 C ATOM 834 O ALA A 61 15.063 -5.435 9.061 1.00 0.00 O ATOM 835 CB ALA A 61 14.363 -8.668 9.815 1.00 0.00 C ATOM 0 H ALA A 61 12.008 -8.575 9.256 1.00 0.00 H new ATOM 0 HA ALA A 61 13.692 -6.718 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.415 -8.507 10.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.889 -9.211 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.280 -9.249 8.897 1.00 0.00 H new ATOM 841 N LEU A 62 14.286 -6.582 7.280 1.00 0.00 N ATOM 842 CA LEU A 62 14.663 -5.541 6.272 1.00 0.00 C ATOM 843 C LEU A 62 13.909 -4.177 6.379 1.00 0.00 C ATOM 844 O LEU A 62 14.525 -3.152 6.111 1.00 0.00 O ATOM 845 CB LEU A 62 14.493 -6.054 4.818 1.00 0.00 C ATOM 846 CG LEU A 62 15.426 -7.191 4.344 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.905 -7.794 3.032 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.863 -6.681 4.129 1.00 0.00 C ATOM 0 H LEU A 62 13.922 -7.443 6.871 1.00 0.00 H new ATOM 0 HA LEU A 62 15.709 -5.352 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.464 -6.394 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.628 -5.207 4.145 1.00 0.00 H new ATOM 0 HG LEU A 62 15.437 -7.954 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.572 -8.594 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.904 -8.197 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.869 -7.020 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.495 -7.504 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.861 -5.896 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.251 -6.282 5.066 1.00 0.00 H new ATOM 860 N GLN A 63 12.617 -4.121 6.748 1.00 0.00 N ATOM 861 CA GLN A 63 11.920 -2.824 7.015 1.00 0.00 C ATOM 862 C GLN A 63 12.508 -2.005 8.214 1.00 0.00 C ATOM 863 O GLN A 63 12.754 -0.803 8.071 1.00 0.00 O ATOM 864 CB GLN A 63 10.386 -3.030 7.148 1.00 0.00 C ATOM 865 CG GLN A 63 9.673 -3.556 5.875 1.00 0.00 C ATOM 866 CD GLN A 63 8.144 -3.631 5.949 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.520 -3.664 7.005 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.486 -3.663 4.815 1.00 0.00 N ATOM 0 H GLN A 63 12.028 -4.944 6.871 1.00 0.00 H new ATOM 0 HA GLN A 63 12.111 -2.204 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.200 -3.729 7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.932 -2.081 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.946 -2.914 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.056 -4.552 5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.993 -3.636 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.467 -3.715 4.818 1.00 0.00 H new ATOM 877 N GLU A 64 12.788 -2.655 9.358 1.00 0.00 N ATOM 878 CA GLU A 64 13.578 -2.054 10.471 1.00 0.00 C ATOM 879 C GLU A 64 15.073 -1.739 10.108 1.00 0.00 C ATOM 880 O GLU A 64 15.531 -0.623 10.357 1.00 0.00 O ATOM 881 CB GLU A 64 13.474 -2.993 11.707 1.00 0.00 C ATOM 882 CG GLU A 64 12.063 -3.169 12.323 1.00 0.00 C ATOM 883 CD GLU A 64 12.019 -4.208 13.440 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.858 -5.475 12.965 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.117 -3.935 14.632 1.00 0.00 O ATOM 0 H GLU A 64 12.479 -3.609 9.546 1.00 0.00 H new ATOM 0 HA GLU A 64 13.147 -1.078 10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.847 -3.977 11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.140 -2.613 12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.722 -2.210 12.714 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.365 -3.459 11.538 1.00 0.00 H new ATOM 892 N PHE A 65 15.811 -2.685 9.493 1.00 0.00 N ATOM 893 CA PHE A 65 17.204 -2.469 9.002 1.00 0.00 C ATOM 894 C PHE A 65 17.346 -1.406 7.875 1.00 0.00 C ATOM 895 O PHE A 65 18.184 -0.520 8.011 1.00 0.00 O ATOM 896 CB PHE A 65 17.746 -3.861 8.595 1.00 0.00 C ATOM 897 CG PHE A 65 19.163 -3.964 8.009 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.298 -3.841 8.819 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.310 -4.388 6.685 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.549 -4.214 8.329 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.555 -4.784 6.214 1.00 0.00 C ATOM 902 CZ PHE A 65 21.665 -4.742 7.046 1.00 0.00 C ATOM 0 H PHE A 65 15.464 -3.628 9.318 1.00 0.00 H new ATOM 0 HA PHE A 65 17.801 -2.031 9.802 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.707 -4.501 9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.056 -4.283 7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.205 -3.457 9.824 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.454 -4.408 6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.428 -4.093 8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.660 -5.126 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.616 -5.118 6.699 1.00 0.00 H new ATOM 912 N LEU A 66 16.540 -1.423 6.799 1.00 0.00 N ATOM 913 CA LEU A 66 16.514 -0.289 5.830 1.00 0.00 C ATOM 914 C LEU A 66 16.032 1.088 6.397 1.00 0.00 C ATOM 915 O LEU A 66 16.481 2.105 5.876 1.00 0.00 O ATOM 916 CB LEU A 66 15.770 -0.690 4.528 1.00 0.00 C ATOM 917 CG LEU A 66 16.330 -1.898 3.725 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.492 -2.130 2.455 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.815 -1.732 3.365 1.00 0.00 C ATOM 0 H LEU A 66 15.906 -2.189 6.572 1.00 0.00 H new ATOM 0 HA LEU A 66 17.561 -0.100 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.734 -0.909 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.757 0.177 3.867 1.00 0.00 H new ATOM 0 HG LEU A 66 16.257 -2.772 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.896 -2.979 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.459 -2.337 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.527 -1.239 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.153 -2.604 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.944 -0.837 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.402 -1.637 4.278 1.00 0.00 H new ATOM 931 N THR A 67 15.213 1.155 7.467 1.00 0.00 N ATOM 932 CA THR A 67 15.003 2.419 8.248 1.00 0.00 C ATOM 933 C THR A 67 16.240 2.897 9.094 1.00 0.00 C ATOM 934 O THR A 67 16.502 4.098 9.154 1.00 0.00 O ATOM 935 CB THR A 67 13.750 2.330 9.182 1.00 0.00 C ATOM 936 OG1 THR A 67 12.655 1.664 8.572 1.00 0.00 O ATOM 937 CG2 THR A 67 13.199 3.716 9.567 1.00 0.00 C ATOM 0 H THR A 67 14.682 0.358 7.819 1.00 0.00 H new ATOM 0 HA THR A 67 14.844 3.170 7.474 1.00 0.00 H new ATOM 0 HB THR A 67 14.118 1.785 10.051 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.681 0.712 8.804 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.331 3.595 10.215 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.969 4.280 10.093 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.907 4.255 8.666 1.00 0.00 H new ATOM 945 N ASN A 68 16.935 1.988 9.801 1.00 0.00 N ATOM 946 CA ASN A 68 18.032 2.314 10.747 1.00 0.00 C ATOM 947 C ASN A 68 19.021 1.087 10.724 1.00 0.00 C ATOM 948 O ASN A 68 18.883 0.189 11.564 1.00 0.00 O ATOM 949 CB ASN A 68 17.454 2.632 12.154 1.00 0.00 C ATOM 950 CG ASN A 68 16.945 4.060 12.361 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.712 5.011 12.446 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.656 4.264 12.478 1.00 0.00 N ATOM 0 H ASN A 68 16.751 0.987 9.734 1.00 0.00 H new ATOM 0 HA ASN A 68 18.579 3.212 10.460 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.634 1.942 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.226 2.431 12.897 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.301 5.207 12.638 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.007 3.480 12.409 1.00 0.00 H new ATOM 959 N PRO A 69 20.028 0.989 9.798 1.00 0.00 N ATOM 960 CA PRO A 69 20.941 -0.192 9.694 1.00 0.00 C ATOM 961 C PRO A 69 21.751 -0.578 10.963 1.00 0.00 C ATOM 962 O PRO A 69 21.790 -1.748 11.350 1.00 0.00 O ATOM 963 CB PRO A 69 21.831 0.167 8.481 1.00 0.00 C ATOM 964 CG PRO A 69 20.993 1.126 7.637 1.00 0.00 C ATOM 965 CD PRO A 69 20.144 1.891 8.644 1.00 0.00 C ATOM 0 HA PRO A 69 20.364 -1.109 9.573 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.762 0.635 8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.101 -0.724 7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.625 1.800 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.370 0.585 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.615 2.833 8.924 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.165 2.134 8.232 1.00 0.00 H new ATOM 973 N LYS A 70 22.318 0.436 11.633 1.00 0.00 N ATOM 974 CA LYS A 70 22.945 0.281 12.981 1.00 0.00 C ATOM 975 C LYS A 70 21.995 -0.027 14.194 1.00 0.00 C ATOM 976 O LYS A 70 22.475 -0.494 15.228 1.00 0.00 O ATOM 977 CB LYS A 70 23.830 1.519 13.296 1.00 0.00 C ATOM 978 CG LYS A 70 24.982 1.740 12.294 1.00 0.00 C ATOM 979 CD LYS A 70 26.144 2.588 12.840 1.00 0.00 C ATOM 980 CE LYS A 70 27.261 2.757 11.797 1.00 0.00 C ATOM 981 NZ LYS A 70 28.364 3.560 12.358 1.00 0.00 N ATOM 0 H LYS A 70 22.362 1.388 11.269 1.00 0.00 H new ATOM 0 HA LYS A 70 23.534 -0.631 12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.200 2.408 13.311 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.249 1.408 14.296 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.370 0.769 11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.584 2.223 11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.771 3.568 13.137 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.550 2.117 13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 70 27.633 1.779 11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 70 26.865 3.242 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.113 3.668 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.007 4.498 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.751 3.081 13.196 1.00 0.00 H new ATOM 994 N ALA A 71 20.675 0.206 14.090 1.00 0.00 N ATOM 995 CA ALA A 71 19.686 -0.306 15.081 1.00 0.00 C ATOM 996 C ALA A 71 19.440 -1.852 15.050 1.00 0.00 C ATOM 997 O ALA A 71 19.372 -2.472 16.113 1.00 0.00 O ATOM 998 CB ALA A 71 18.388 0.498 14.885 1.00 0.00 C ATOM 0 H ALA A 71 20.258 0.746 13.331 1.00 0.00 H new ATOM 0 HA ALA A 71 20.100 -0.157 16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.636 0.153 15.594 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.587 1.556 15.053 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.021 0.355 13.869 1.00 0.00 H new ATOM 1004 N VAL A 72 19.325 -2.476 13.859 1.00 0.00 N ATOM 1005 CA VAL A 72 19.256 -3.964 13.720 1.00 0.00 C ATOM 1006 C VAL A 72 20.683 -4.623 13.781 1.00 0.00 C ATOM 1007 O VAL A 72 20.885 -5.528 14.596 1.00 0.00 O ATOM 1008 CB VAL A 72 18.392 -4.341 12.464 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.399 -5.848 12.126 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.903 -3.930 12.581 1.00 0.00 C ATOM 0 H VAL A 72 19.277 -1.978 12.970 1.00 0.00 H new ATOM 0 HA VAL A 72 18.739 -4.395 14.577 1.00 0.00 H new ATOM 0 HB VAL A 72 18.882 -3.774 11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.780 -6.027 11.247 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.420 -6.170 11.922 1.00 0.00 H new ATOM 0 HG13 VAL A 72 18.002 -6.412 12.970 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.372 -4.224 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.455 -4.427 13.442 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.833 -2.850 12.708 1.00 0.00 H new ATOM 1020 N VAL A 73 21.653 -4.214 12.936 1.00 0.00 N ATOM 1021 CA VAL A 73 23.050 -4.757 12.980 1.00 0.00 C ATOM 1022 C VAL A 73 23.957 -3.673 13.648 1.00 0.00 C ATOM 1023 O VAL A 73 24.490 -2.788 12.968 1.00 0.00 O ATOM 1024 CB VAL A 73 23.554 -5.172 11.555 1.00 0.00 C ATOM 1025 CG1 VAL A 73 25.001 -5.712 11.556 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.696 -6.272 10.887 1.00 0.00 C ATOM 0 H VAL A 73 21.506 -3.511 12.212 1.00 0.00 H new ATOM 0 HA VAL A 73 23.085 -5.672 13.571 1.00 0.00 H new ATOM 0 HB VAL A 73 23.483 -4.239 10.995 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.289 -5.981 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.676 -4.944 11.933 1.00 0.00 H new ATOM 0 HG13 VAL A 73 25.060 -6.593 12.196 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.106 -6.507 9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.706 -7.168 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.671 -5.918 10.777 1.00 0.00 H new ATOM 1036 N LYS A 74 24.150 -3.749 14.975 1.00 0.00 N ATOM 1037 CA LYS A 74 24.902 -2.716 15.744 1.00 0.00 C ATOM 1038 C LYS A 74 26.440 -2.694 15.444 1.00 0.00 C ATOM 1039 O LYS A 74 27.195 -3.586 15.837 1.00 0.00 O ATOM 1040 CB LYS A 74 24.513 -2.804 17.249 1.00 0.00 C ATOM 1041 CG LYS A 74 25.155 -3.890 18.150 1.00 0.00 C ATOM 1042 CD LYS A 74 24.842 -5.351 17.764 1.00 0.00 C ATOM 1043 CE LYS A 74 25.473 -6.364 18.729 1.00 0.00 C ATOM 1044 NZ LYS A 74 25.190 -7.738 18.266 1.00 0.00 N ATOM 0 H LYS A 74 23.798 -4.515 15.549 1.00 0.00 H new ATOM 0 HA LYS A 74 24.597 -1.729 15.396 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.734 -1.836 17.699 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.432 -2.938 17.298 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.236 -3.754 18.137 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.825 -3.726 19.176 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.762 -5.495 17.747 1.00 0.00 H new ATOM 0 HD3 LYS A 74 25.205 -5.542 16.754 1.00 0.00 H new ATOM 0 HE2 LYS A 74 26.550 -6.204 18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 74 25.076 -6.220 19.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 25.619 -8.421 18.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.161 -7.888 18.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 25.590 -7.873 17.316 1.00 0.00 H new ATOM 1057 N GLY A 75 26.877 -1.676 14.688 1.00 0.00 N ATOM 1058 CA GLY A 75 28.232 -1.654 14.072 1.00 0.00 C ATOM 1059 C GLY A 75 28.401 -2.375 12.712 1.00 0.00 C ATOM 1060 O GLY A 75 29.404 -3.065 12.513 1.00 0.00 O ATOM 0 H GLY A 75 26.316 -0.849 14.482 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.527 -0.613 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.932 -2.098 14.779 1.00 0.00 H new ATOM 1064 N THR A 76 27.480 -2.170 11.754 1.00 0.00 N ATOM 1065 CA THR A 76 27.630 -2.646 10.358 1.00 0.00 C ATOM 1066 C THR A 76 28.673 -1.815 9.545 1.00 0.00 C ATOM 1067 O THR A 76 28.728 -0.584 9.650 1.00 0.00 O ATOM 1068 CB THR A 76 26.206 -2.649 9.710 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.267 -3.298 8.447 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.500 -1.302 9.474 1.00 0.00 C ATOM 0 H THR A 76 26.607 -1.669 11.921 1.00 0.00 H new ATOM 0 HA THR A 76 28.038 -3.657 10.350 1.00 0.00 H new ATOM 0 HB THR A 76 25.609 -3.157 10.468 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.376 -3.303 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.525 -1.477 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.369 -0.788 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.105 -0.686 8.809 1.00 0.00 H new ATOM 1078 N LYS A 77 29.422 -2.469 8.638 1.00 0.00 N ATOM 1079 CA LYS A 77 30.109 -1.753 7.520 1.00 0.00 C ATOM 1080 C LYS A 77 29.184 -1.198 6.371 1.00 0.00 C ATOM 1081 O LYS A 77 29.707 -0.664 5.388 1.00 0.00 O ATOM 1082 CB LYS A 77 31.260 -2.666 6.988 1.00 0.00 C ATOM 1083 CG LYS A 77 32.658 -2.369 7.575 1.00 0.00 C ATOM 1084 CD LYS A 77 32.982 -2.987 8.955 1.00 0.00 C ATOM 1085 CE LYS A 77 33.636 -4.383 8.905 1.00 0.00 C ATOM 1086 NZ LYS A 77 35.058 -4.317 8.511 1.00 0.00 N ATOM 0 H LYS A 77 29.573 -3.478 8.646 1.00 0.00 H new ATOM 0 HA LYS A 77 30.511 -0.830 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 77 31.007 -3.704 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.310 -2.566 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 77 33.406 -2.717 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.771 -1.288 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.646 -2.310 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 77 32.060 -3.055 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.553 -4.857 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.094 -5.012 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 35.457 -5.277 8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.137 -3.889 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.582 -3.739 9.198 1.00 0.00 H new ATOM 1099 N MET A 78 27.838 -1.249 6.493 1.00 0.00 N ATOM 1100 CA MET A 78 26.924 -0.541 5.562 1.00 0.00 C ATOM 1101 C MET A 78 26.811 0.960 5.979 1.00 0.00 C ATOM 1102 O MET A 78 26.078 1.307 6.913 1.00 0.00 O ATOM 1103 CB MET A 78 25.573 -1.312 5.485 1.00 0.00 C ATOM 1104 CG MET A 78 24.504 -0.601 4.625 1.00 0.00 C ATOM 1105 SD MET A 78 23.388 -1.718 3.680 1.00 0.00 S ATOM 1106 CE MET A 78 21.840 -0.823 4.117 1.00 0.00 C ATOM 0 H MET A 78 27.359 -1.772 7.226 1.00 0.00 H new ATOM 0 HA MET A 78 27.314 -0.528 4.544 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.754 -2.306 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.184 -1.448 6.494 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.896 0.028 5.276 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.008 0.062 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.983 -1.359 3.710 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.749 -0.762 5.201 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.871 0.183 3.699 1.00 0.00 H new ATOM 1116 N ALA A 79 27.521 1.851 5.258 1.00 0.00 N ATOM 1117 CA ALA A 79 27.453 3.318 5.504 1.00 0.00 C ATOM 1118 C ALA A 79 26.174 3.980 4.887 1.00 0.00 C ATOM 1119 O ALA A 79 26.213 4.704 3.888 1.00 0.00 O ATOM 1120 CB ALA A 79 28.788 3.906 5.005 1.00 0.00 C ATOM 0 H ALA A 79 28.150 1.587 4.499 1.00 0.00 H new ATOM 0 HA ALA A 79 27.338 3.536 6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.792 4.985 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.613 3.456 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.904 3.694 3.942 1.00 0.00 H new ATOM 1126 N PHE A 80 25.028 3.700 5.525 1.00 0.00 N ATOM 1127 CA PHE A 80 23.690 4.140 5.065 1.00 0.00 C ATOM 1128 C PHE A 80 22.879 4.641 6.302 1.00 0.00 C ATOM 1129 O PHE A 80 22.801 3.970 7.338 1.00 0.00 O ATOM 1130 CB PHE A 80 23.027 2.953 4.309 1.00 0.00 C ATOM 1131 CG PHE A 80 21.666 3.266 3.670 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.580 4.109 2.556 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.494 2.740 4.223 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.338 4.432 2.016 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.255 3.066 3.687 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.179 3.916 2.589 1.00 0.00 C ATOM 0 H PHE A 80 24.997 3.155 6.387 1.00 0.00 H new ATOM 0 HA PHE A 80 23.738 4.976 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.708 2.614 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.902 2.124 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.480 4.510 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.553 2.076 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.274 5.081 1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.353 2.661 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.215 4.177 2.178 1.00 0.00 H new ATOM 1146 N ALA A 81 22.255 5.822 6.183 1.00 0.00 N ATOM 1147 CA ALA A 81 21.469 6.427 7.292 1.00 0.00 C ATOM 1148 C ALA A 81 20.028 5.863 7.507 1.00 0.00 C ATOM 1149 O ALA A 81 19.597 5.755 8.659 1.00 0.00 O ATOM 1150 CB ALA A 81 21.462 7.948 7.046 1.00 0.00 C ATOM 0 H ALA A 81 22.274 6.385 5.333 1.00 0.00 H new ATOM 0 HA ALA A 81 21.956 6.159 8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.895 8.442 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.486 8.321 7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.999 8.158 6.082 1.00 0.00 H new ATOM 1156 N GLY A 82 19.285 5.538 6.432 1.00 0.00 N ATOM 1157 CA GLY A 82 17.857 5.149 6.556 1.00 0.00 C ATOM 1158 C GLY A 82 16.914 5.555 5.403 1.00 0.00 C ATOM 1159 O GLY A 82 16.939 6.684 4.907 1.00 0.00 O ATOM 0 H GLY A 82 19.640 5.535 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.810 4.066 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.468 5.580 7.479 1.00 0.00 H new ATOM 1163 N LEU A 83 15.992 4.645 5.061 1.00 0.00 N ATOM 1164 CA LEU A 83 14.802 4.948 4.224 1.00 0.00 C ATOM 1165 C LEU A 83 13.624 5.529 5.084 1.00 0.00 C ATOM 1166 O LEU A 83 13.227 4.863 6.048 1.00 0.00 O ATOM 1167 CB LEU A 83 14.326 3.674 3.472 1.00 0.00 C ATOM 1168 CG LEU A 83 15.210 3.183 2.300 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.580 1.952 1.646 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.373 4.242 1.202 1.00 0.00 C ATOM 0 H LEU A 83 16.043 3.669 5.354 1.00 0.00 H new ATOM 0 HA LEU A 83 15.098 5.705 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.242 2.864 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.324 3.862 3.086 1.00 0.00 H new ATOM 0 HG LEU A 83 16.186 2.957 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.210 1.615 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.489 1.155 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.591 2.208 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.002 3.846 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.394 4.501 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.839 5.133 1.622 1.00 0.00 H new ATOM 1182 N PRO A 84 13.014 6.714 4.787 1.00 0.00 N ATOM 1183 CA PRO A 84 12.086 7.397 5.736 1.00 0.00 C ATOM 1184 C PRO A 84 10.597 6.920 5.749 1.00 0.00 C ATOM 1185 O PRO A 84 10.044 6.716 6.834 1.00 0.00 O ATOM 1186 CB PRO A 84 12.267 8.871 5.316 1.00 0.00 C ATOM 1187 CG PRO A 84 12.569 8.833 3.813 1.00 0.00 C ATOM 1188 CD PRO A 84 13.378 7.549 3.622 1.00 0.00 C ATOM 0 HA PRO A 84 12.332 7.175 6.774 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.367 9.451 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.081 9.340 5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.652 8.817 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.135 9.710 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.126 7.055 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.448 7.753 3.597 1.00 0.00 H new ATOM 1196 N LYS A 85 9.957 6.707 4.584 1.00 0.00 N ATOM 1197 CA LYS A 85 8.559 6.206 4.503 1.00 0.00 C ATOM 1198 C LYS A 85 8.501 4.646 4.483 1.00 0.00 C ATOM 1199 O LYS A 85 9.351 3.972 3.886 1.00 0.00 O ATOM 1200 CB LYS A 85 7.880 6.763 3.222 1.00 0.00 C ATOM 1201 CG LYS A 85 7.780 8.298 3.039 1.00 0.00 C ATOM 1202 CD LYS A 85 6.846 8.998 4.052 1.00 0.00 C ATOM 1203 CE LYS A 85 6.695 10.515 3.840 1.00 0.00 C ATOM 1204 NZ LYS A 85 5.863 10.836 2.661 1.00 0.00 N ATOM 0 H LYS A 85 10.386 6.874 3.674 1.00 0.00 H new ATOM 0 HA LYS A 85 8.031 6.551 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.417 6.362 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.868 6.359 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.778 8.728 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.427 8.510 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.860 8.537 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.225 8.821 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.249 10.961 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.681 10.963 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.790 11.868 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.300 10.434 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.913 10.432 2.786 1.00 0.00 H new ATOM 1217 N ILE A 86 7.429 4.070 5.057 1.00 0.00 N ATOM 1218 CA ILE A 86 7.105 2.613 4.892 1.00 0.00 C ATOM 1219 C ILE A 86 6.932 2.129 3.410 1.00 0.00 C ATOM 1220 O ILE A 86 7.407 1.041 3.073 1.00 0.00 O ATOM 1221 CB ILE A 86 5.942 2.186 5.859 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.820 0.648 6.072 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.549 2.732 5.449 1.00 0.00 C ATOM 1224 CD1 ILE A 86 7.006 -0.026 6.782 1.00 0.00 C ATOM 0 H ILE A 86 6.764 4.578 5.641 1.00 0.00 H new ATOM 0 HA ILE A 86 7.996 2.066 5.200 1.00 0.00 H new ATOM 0 HB ILE A 86 6.241 2.647 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.916 0.451 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.687 0.175 5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.800 2.394 6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.574 3.822 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.292 2.365 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.814 -1.095 6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.914 0.129 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.132 0.409 7.773 1.00 0.00 H new ATOM 1236 N GLU A 87 6.350 2.964 2.522 1.00 0.00 N ATOM 1237 CA GLU A 87 6.379 2.719 1.054 1.00 0.00 C ATOM 1238 C GLU A 87 7.789 2.719 0.379 1.00 0.00 C ATOM 1239 O GLU A 87 7.962 1.998 -0.599 1.00 0.00 O ATOM 1240 CB GLU A 87 5.366 3.653 0.337 1.00 0.00 C ATOM 1241 CG GLU A 87 5.713 5.163 0.250 1.00 0.00 C ATOM 1242 CD GLU A 87 4.679 5.994 -0.502 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.743 5.807 -1.850 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.886 6.753 0.046 1.00 0.00 O ATOM 0 H GLU A 87 5.854 3.814 2.791 1.00 0.00 H new ATOM 0 HA GLU A 87 6.067 1.682 0.928 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.228 3.282 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.406 3.558 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.819 5.560 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.680 5.276 -0.240 1.00 0.00 H new ATOM 1251 N ASP A 88 8.806 3.456 0.882 1.00 0.00 N ATOM 1252 CA ASP A 88 10.199 3.341 0.342 1.00 0.00 C ATOM 1253 C ASP A 88 10.820 1.916 0.509 1.00 0.00 C ATOM 1254 O ASP A 88 11.141 1.274 -0.494 1.00 0.00 O ATOM 1255 CB ASP A 88 11.101 4.462 0.932 1.00 0.00 C ATOM 1256 CG ASP A 88 10.938 5.876 0.379 1.00 0.00 C ATOM 1257 OD1 ASP A 88 9.642 6.173 0.067 1.00 0.00 O ATOM 1258 OD2 ASP A 88 11.882 6.651 0.252 1.00 0.00 O ATOM 0 H ASP A 88 8.703 4.126 1.645 1.00 0.00 H new ATOM 0 HA ASP A 88 10.138 3.486 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.925 4.501 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.140 4.165 0.789 1.00 0.00 H new ATOM 1263 N ARG A 89 10.933 1.406 1.748 1.00 0.00 N ATOM 1264 CA ARG A 89 11.328 -0.008 1.999 1.00 0.00 C ATOM 1265 C ARG A 89 10.342 -1.107 1.472 1.00 0.00 C ATOM 1266 O ARG A 89 10.829 -2.056 0.859 1.00 0.00 O ATOM 1267 CB ARG A 89 11.803 -0.205 3.462 1.00 0.00 C ATOM 1268 CG ARG A 89 10.856 0.251 4.599 1.00 0.00 C ATOM 1269 CD ARG A 89 11.327 1.523 5.337 1.00 0.00 C ATOM 1270 NE ARG A 89 10.499 1.639 6.574 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.208 2.762 7.225 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.720 3.916 6.929 1.00 0.00 N ATOM 1273 NH2 ARG A 89 9.385 2.705 8.230 1.00 0.00 N ATOM 0 H ARG A 89 10.758 1.945 2.596 1.00 0.00 H new ATOM 0 HA ARG A 89 12.190 -0.186 1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.012 -1.265 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.748 0.325 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.865 0.431 4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.756 -0.559 5.321 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.386 1.455 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.204 2.403 4.706 1.00 0.00 H new ATOM 0 HE ARG A 89 10.120 0.773 6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.385 3.997 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.458 4.743 7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.977 1.812 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.148 3.554 8.744 1.00 0.00 H new ATOM 1287 N ALA A 90 9.003 -0.997 1.621 1.00 0.00 N ATOM 1288 CA ALA A 90 8.041 -1.932 0.961 1.00 0.00 C ATOM 1289 C ALA A 90 8.050 -2.000 -0.606 1.00 0.00 C ATOM 1290 O ALA A 90 8.012 -3.103 -1.159 1.00 0.00 O ATOM 1291 CB ALA A 90 6.644 -1.638 1.535 1.00 0.00 C ATOM 0 H ALA A 90 8.557 -0.276 2.188 1.00 0.00 H new ATOM 0 HA ALA A 90 8.378 -2.940 1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.914 -2.304 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.652 -1.799 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.375 -0.603 1.324 1.00 0.00 H new ATOM 1297 N ASN A 91 8.168 -0.865 -1.322 1.00 0.00 N ATOM 1298 CA ASN A 91 8.451 -0.847 -2.793 1.00 0.00 C ATOM 1299 C ASN A 91 9.816 -1.507 -3.195 1.00 0.00 C ATOM 1300 O ASN A 91 9.853 -2.346 -4.100 1.00 0.00 O ATOM 1301 CB ASN A 91 8.349 0.605 -3.347 1.00 0.00 C ATOM 1302 CG ASN A 91 6.966 1.280 -3.360 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.905 0.666 -3.334 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.926 2.587 -3.459 1.00 0.00 N ATOM 0 H ASN A 91 8.073 0.064 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 91 7.684 -1.469 -3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.021 1.233 -2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.727 0.599 -4.369 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.028 3.067 -3.512 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.793 3.123 -3.483 1.00 0.00 H new ATOM 1311 N LEU A 92 10.924 -1.164 -2.509 1.00 0.00 N ATOM 1312 CA LEU A 92 12.241 -1.846 -2.671 1.00 0.00 C ATOM 1313 C LEU A 92 12.255 -3.384 -2.330 1.00 0.00 C ATOM 1314 O LEU A 92 12.774 -4.179 -3.114 1.00 0.00 O ATOM 1315 CB LEU A 92 13.295 -1.018 -1.874 1.00 0.00 C ATOM 1316 CG LEU A 92 14.688 -0.861 -2.534 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.567 0.048 -1.671 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.431 -2.185 -2.733 1.00 0.00 C ATOM 0 H LEU A 92 10.940 -0.408 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 92 12.492 -1.861 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.886 -0.023 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.430 -1.485 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 92 14.504 -0.434 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.546 0.157 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.098 1.028 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.684 -0.392 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.397 -1.993 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.584 -2.665 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.842 -2.840 -3.375 1.00 0.00 H new ATOM 1330 N ILE A 93 11.640 -3.817 -1.214 1.00 0.00 N ATOM 1331 CA ILE A 93 11.384 -5.262 -0.887 1.00 0.00 C ATOM 1332 C ILE A 93 10.493 -6.018 -1.948 1.00 0.00 C ATOM 1333 O ILE A 93 10.768 -7.187 -2.242 1.00 0.00 O ATOM 1334 CB ILE A 93 10.892 -5.331 0.612 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.033 -4.984 1.627 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.246 -6.674 1.036 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.574 -4.576 3.039 1.00 0.00 C ATOM 0 H ILE A 93 11.297 -3.179 -0.496 1.00 0.00 H new ATOM 0 HA ILE A 93 12.308 -5.836 -0.965 1.00 0.00 H new ATOM 0 HB ILE A 93 10.108 -4.574 0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.690 -5.849 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.629 -4.172 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.943 -6.618 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.372 -6.870 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.968 -7.481 0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.446 -4.359 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.944 -3.689 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.007 -5.392 3.487 1.00 0.00 H new ATOM 1349 N ALA A 94 9.466 -5.385 -2.548 1.00 0.00 N ATOM 1350 CA ALA A 94 8.802 -5.896 -3.785 1.00 0.00 C ATOM 1351 C ALA A 94 9.725 -6.052 -5.044 1.00 0.00 C ATOM 1352 O ALA A 94 9.743 -7.123 -5.659 1.00 0.00 O ATOM 1353 CB ALA A 94 7.592 -4.983 -4.050 1.00 0.00 C ATOM 0 H ALA A 94 9.069 -4.512 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 94 8.498 -6.927 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.073 -5.318 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.911 -5.025 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.934 -3.957 -4.190 1.00 0.00 H new ATOM 1359 N TYR A 95 10.528 -5.024 -5.390 1.00 0.00 N ATOM 1360 CA TYR A 95 11.650 -5.137 -6.372 1.00 0.00 C ATOM 1361 C TYR A 95 12.681 -6.286 -6.090 1.00 0.00 C ATOM 1362 O TYR A 95 12.924 -7.099 -6.980 1.00 0.00 O ATOM 1363 CB TYR A 95 12.268 -3.711 -6.493 1.00 0.00 C ATOM 1364 CG TYR A 95 13.588 -3.572 -7.271 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.604 -3.453 -8.663 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.797 -3.580 -6.570 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.818 -3.349 -9.342 1.00 0.00 C ATOM 1368 CE2 TYR A 95 16.005 -3.474 -7.248 1.00 0.00 C ATOM 1369 CZ TYR A 95 16.016 -3.354 -8.635 1.00 0.00 C ATOM 1370 OH TYR A 95 17.204 -3.227 -9.302 1.00 0.00 O ATOM 0 H TYR A 95 10.424 -4.087 -5.001 1.00 0.00 H new ATOM 0 HA TYR A 95 11.264 -5.465 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.529 -3.063 -6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.430 -3.328 -5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.675 -3.442 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.792 -3.669 -5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.828 -3.264 -10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.935 -3.485 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 95 17.791 -2.615 -8.811 1.00 0.00 H new ATOM 1380 N LEU A 96 13.259 -6.381 -4.882 1.00 0.00 N ATOM 1381 CA LEU A 96 14.201 -7.485 -4.506 1.00 0.00 C ATOM 1382 C LEU A 96 13.632 -8.948 -4.536 1.00 0.00 C ATOM 1383 O LEU A 96 14.382 -9.892 -4.802 1.00 0.00 O ATOM 1384 CB LEU A 96 14.807 -7.157 -3.112 1.00 0.00 C ATOM 1385 CG LEU A 96 15.723 -5.907 -3.015 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.986 -5.552 -1.543 1.00 0.00 C ATOM 1387 CD2 LEU A 96 17.047 -6.089 -3.774 1.00 0.00 C ATOM 0 H LEU A 96 13.098 -5.708 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 96 14.955 -7.504 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.985 -7.030 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.380 -8.023 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 96 15.196 -5.082 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.630 -4.674 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.040 -5.339 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.475 -6.391 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.650 -5.187 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.591 -6.937 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.840 -6.272 -4.828 1.00 0.00 H new ATOM 1399 N GLU A 97 12.321 -9.129 -4.296 1.00 0.00 N ATOM 1400 CA GLU A 97 11.589 -10.387 -4.631 1.00 0.00 C ATOM 1401 C GLU A 97 11.485 -10.701 -6.168 1.00 0.00 C ATOM 1402 O GLU A 97 11.797 -11.824 -6.570 1.00 0.00 O ATOM 1403 CB GLU A 97 10.191 -10.328 -3.949 1.00 0.00 C ATOM 1404 CG GLU A 97 10.216 -10.445 -2.404 1.00 0.00 C ATOM 1405 CD GLU A 97 8.907 -10.064 -1.721 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.793 -8.713 -1.550 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.069 -10.883 -1.357 1.00 0.00 O ATOM 0 H GLU A 97 11.731 -8.416 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 97 12.171 -11.223 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.709 -9.389 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.572 -11.131 -4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.467 -11.471 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.012 -9.809 -2.017 1.00 0.00 H new ATOM 1414 N GLY A 98 11.060 -9.743 -7.016 1.00 0.00 N ATOM 1415 CA GLY A 98 10.966 -9.952 -8.490 1.00 0.00 C ATOM 1416 C GLY A 98 12.258 -9.866 -9.345 1.00 0.00 C ATOM 1417 O GLY A 98 12.461 -10.696 -10.232 1.00 0.00 O ATOM 0 H GLY A 98 10.774 -8.812 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.526 -10.936 -8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.262 -9.218 -8.882 1.00 0.00 H new ATOM 1421 N GLN A 99 13.079 -8.829 -9.140 1.00 0.00 N ATOM 1422 CA GLN A 99 14.237 -8.497 -10.014 1.00 0.00 C ATOM 1423 C GLN A 99 15.548 -9.091 -9.412 1.00 0.00 C ATOM 1424 O GLN A 99 16.192 -8.495 -8.540 1.00 0.00 O ATOM 1425 CB GLN A 99 14.293 -6.949 -10.189 1.00 0.00 C ATOM 1426 CG GLN A 99 13.286 -6.316 -11.191 1.00 0.00 C ATOM 1427 CD GLN A 99 11.807 -6.291 -10.772 1.00 0.00 C ATOM 1428 OE1 GLN A 99 11.375 -5.520 -9.924 1.00 0.00 O ATOM 1429 NE2 GLN A 99 10.974 -7.116 -11.359 1.00 0.00 N ATOM 0 H GLN A 99 12.967 -8.184 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 99 14.124 -8.944 -11.002 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.133 -6.491 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.301 -6.680 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.600 -5.291 -11.385 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.362 -6.857 -12.134 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.314 -7.766 -12.068 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.986 -7.108 -11.107 1.00 0.00 H new ATOM 1438 N GLN A 100 15.911 -10.296 -9.880 1.00 0.00 N ATOM 1439 CA GLN A 100 16.983 -11.114 -9.276 1.00 0.00 C ATOM 1440 C GLN A 100 17.759 -11.950 -10.328 1.00 0.00 C ATOM 1441 O GLN A 100 19.013 -11.917 -10.302 1.00 0.00 O ATOM 1442 CB GLN A 100 16.379 -11.971 -8.131 1.00 0.00 C ATOM 1443 CG GLN A 100 15.192 -12.927 -8.433 1.00 0.00 C ATOM 1444 CD GLN A 100 14.939 -13.941 -7.313 1.00 0.00 C ATOM 1445 OE1 GLN A 100 15.539 -15.009 -7.250 1.00 0.00 O ATOM 1446 NE2 GLN A 100 14.060 -13.662 -6.383 1.00 0.00 N ATOM 1447 OXT GLN A 100 17.138 -12.652 -11.162 1.00 0.00 O ATOM 0 H GLN A 100 15.471 -10.734 -10.689 1.00 0.00 H new ATOM 0 HA GLN A 100 17.737 -10.454 -8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 100 17.186 -12.574 -7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.055 -11.286 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 100 14.289 -12.337 -8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 100 15.391 -13.462 -9.362 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.548 -12.780 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.887 -14.326 -5.629 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.870 -1.872 1.614 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.861 -4.768 3.171 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.791 -3.481 1.540 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.587 0.992 0.643 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.789 -0.611 1.459 1.00 0.00 C HETATM 1462 NA HEC A 101 23.019 -3.541 2.341 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.565 -4.608 2.894 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.757 -5.669 3.159 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.572 -5.276 2.732 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.807 -4.052 2.188 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.283 -6.127 2.774 1.00 0.00 C HETATM 1468 CAA HEC A 101 23.021 -7.030 3.854 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.137 -8.238 2.895 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.433 -9.603 3.546 1.00 0.00 C HETATM 1471 O1A HEC A 101 23.633 -9.686 4.781 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.470 -10.610 2.805 1.00 0.00 O HETATM 1473 NB HEC A 101 22.120 -1.419 1.139 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.904 -2.143 0.969 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.874 -1.439 0.352 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.321 -0.141 0.227 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.642 -0.142 0.721 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.537 -1.996 -0.166 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.552 1.047 -0.395 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.284 1.398 0.398 1.00 0.00 C HETATM 1481 NC HEC A 101 24.503 -0.134 1.364 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.901 0.908 0.888 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.719 1.935 0.559 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.954 1.453 0.726 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.748 0.200 1.205 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.401 3.344 0.029 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.270 2.157 0.284 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.554 3.508 0.964 1.00 0.00 C HETATM 1489 ND HEC A 101 25.474 -2.642 2.026 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.718 -1.996 1.956 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.780 -2.702 2.545 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.236 -3.859 3.060 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.871 -3.794 2.756 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.252 -2.285 2.612 1.00 0.00 C HETATM 1495 CAD HEC A 101 28.001 -4.982 3.785 1.00 0.00 C HETATM 1496 CBD HEC A 101 28.035 -4.796 5.319 1.00 0.00 C HETATM 1497 CGD HEC A 101 29.033 -5.681 6.065 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.668 -6.262 7.115 1.00 0.00 O HETATM 1499 O2D HEC A 101 30.203 -5.776 5.633 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.643 -2.168 1.601 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.338 -1.339 3.146 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.824 -3.051 3.136 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.869 3.265 -0.919 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.778 3.872 0.751 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.330 3.895 -0.121 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.728 -2.751 -0.928 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.986 -2.446 0.660 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.948 -1.186 -0.597 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.427 -7.035 2.188 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 20.057 -6.394 3.806 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.455 -5.554 2.357 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 28.267 -3.753 5.536 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 27.038 -4.990 5.714 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.743 4.203 0.745 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.628 3.364 2.042 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.492 3.915 0.587 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.617 0.536 0.417 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.556 1.669 1.418 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.778 2.238 -0.078 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.205 -8.321 2.336 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 23.925 -8.026 2.172 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.537 -5.940 3.551 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 29.022 -5.021 3.406 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.942 -6.954 4.432 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.215 -7.223 4.562 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.784 -0.204 1.280 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.185 1.967 0.366 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.854 -4.027 1.434 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.177 -5.653 3.724 1.00 0.00 H new HETATM 0 H2D HEC A 101 30.509 -4.899 5.322 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.671 -11.404 3.342 1.00 0.00 H new