USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 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 Set 1.1: A 71 ASN : amide:sc= -1.58 K(o=-4.4,f=-1.5) USER MOD Set 1.2: A 93 ASN : amide:sc= -2.8 X(o=-4.4,f=-4.2!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.0331 K(o=-1.1,f=-1.9) USER MOD Set 2.2: A 90 MET CE :methyl 169:sc= -1.07 (180deg=-1.91!) USER MOD Single : A 1 ILE N :NH3+ 137:sc= -0.102 (180deg=-0.34) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.2) USER MOD Single : A 14 THR OG1 : rot 96:sc= 0.998 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 108:sc= 0.444 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -62:sc= 0.134 USER MOD Single : A 34 SER OG : rot -139:sc= 0.0168 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00121 USER MOD Single : A 43 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.18 K(o=-2.2,f=-8.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00101) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.098) USER MOD Single : A 81 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-0.35) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.16 USER MOD Single : A 85 THR OG1 : rot 171:sc= -1.17 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -17.602 12.809 1.297 1.00 0.00 N ATOM 2 CA ILE A 1 -17.282 14.104 1.873 1.00 0.00 C ATOM 3 C ILE A 1 -15.818 14.111 2.318 1.00 0.00 C ATOM 4 O ILE A 1 -15.337 13.138 2.897 1.00 0.00 O ATOM 5 CB ILE A 1 -18.267 14.452 2.990 1.00 0.00 C ATOM 6 CG1 ILE A 1 -18.356 13.320 4.015 1.00 0.00 C ATOM 7 CG2 ILE A 1 -19.638 14.817 2.418 1.00 0.00 C ATOM 8 CD1 ILE A 1 -18.491 13.874 5.435 1.00 0.00 C ATOM 0 H1 ILE A 1 -18.532 12.496 1.641 1.00 0.00 H new ATOM 0 H2 ILE A 1 -17.624 12.886 0.260 1.00 0.00 H new ATOM 0 H3 ILE A 1 -16.879 12.116 1.577 1.00 0.00 H new ATOM 0 HA ILE A 1 -17.392 14.891 1.127 1.00 0.00 H new ATOM 0 HB ILE A 1 -17.893 15.331 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -19.211 12.684 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -17.466 12.694 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -20.319 15.060 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -19.539 15.679 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -20.034 13.972 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -18.552 13.048 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -17.623 14.490 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -19.395 14.480 5.505 1.00 0.00 H new ATOM 20 N SER A 2 -15.151 15.219 2.032 1.00 0.00 N ATOM 21 CA SER A 2 -13.752 15.366 2.396 1.00 0.00 C ATOM 22 C SER A 2 -13.483 16.794 2.877 1.00 0.00 C ATOM 23 O SER A 2 -13.642 17.748 2.118 1.00 0.00 O ATOM 24 CB SER A 2 -12.837 15.022 1.219 1.00 0.00 C ATOM 25 OG SER A 2 -11.539 14.622 1.651 1.00 0.00 O ATOM 0 H SER A 2 -15.554 16.024 1.552 1.00 0.00 H new ATOM 0 HA SER A 2 -13.535 14.669 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.287 14.221 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.750 15.888 0.562 1.00 0.00 H new ATOM 0 HG SER A 2 -10.986 14.409 0.871 1.00 0.00 H new ATOM 31 N GLU A 3 -13.081 16.894 4.135 1.00 0.00 N ATOM 32 CA GLU A 3 -12.789 18.189 4.726 1.00 0.00 C ATOM 33 C GLU A 3 -11.932 18.018 5.983 1.00 0.00 C ATOM 34 O GLU A 3 -12.108 17.059 6.733 1.00 0.00 O ATOM 35 CB GLU A 3 -14.077 18.951 5.041 1.00 0.00 C ATOM 36 CG GLU A 3 -14.263 20.132 4.087 1.00 0.00 C ATOM 37 CD GLU A 3 -15.746 20.380 3.803 1.00 0.00 C ATOM 38 OE1 GLU A 3 -16.289 19.651 2.945 1.00 0.00 O ATOM 39 OE2 GLU A 3 -16.303 21.293 4.450 1.00 0.00 O ATOM 0 H GLU A 3 -12.951 16.100 4.762 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.225 18.778 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.931 18.278 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.049 19.311 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.817 21.028 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.738 19.935 3.152 1.00 0.00 H new ATOM 46 N PHE A 4 -11.022 18.962 6.173 1.00 0.00 N ATOM 47 CA PHE A 4 -10.138 18.928 7.325 1.00 0.00 C ATOM 48 C PHE A 4 -9.458 17.564 7.454 1.00 0.00 C ATOM 49 O PHE A 4 -9.698 16.668 6.646 1.00 0.00 O ATOM 50 CB PHE A 4 -11.005 19.172 8.562 1.00 0.00 C ATOM 51 CG PHE A 4 -10.703 20.487 9.284 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.650 20.565 10.142 1.00 0.00 C ATOM 53 CD2 PHE A 4 -11.488 21.576 9.070 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.370 21.785 10.812 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.207 22.796 9.740 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.155 22.875 10.597 1.00 0.00 C ATOM 0 H PHE A 4 -10.878 19.755 5.548 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.359 19.683 7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -12.054 19.165 8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.866 18.346 9.259 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.027 19.699 10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.325 21.513 8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.534 21.848 11.492 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.830 23.662 9.569 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.942 23.803 11.107 1.00 0.00 H new ATOM 66 N ALA A 5 -8.624 17.448 8.477 1.00 0.00 N ATOM 67 CA ALA A 5 -7.908 16.208 8.723 1.00 0.00 C ATOM 68 C ALA A 5 -7.034 15.880 7.510 1.00 0.00 C ATOM 69 O ALA A 5 -7.298 16.351 6.405 1.00 0.00 O ATOM 70 CB ALA A 5 -8.909 15.094 9.039 1.00 0.00 C ATOM 0 H ALA A 5 -8.428 18.193 9.145 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.250 16.309 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.372 14.164 9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.485 15.363 9.925 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.585 14.961 8.194 1.00 0.00 H new ATOM 76 N PRO A 6 -5.985 15.053 7.765 1.00 0.00 N ATOM 77 CA PRO A 6 -5.071 14.656 6.707 1.00 0.00 C ATOM 78 C PRO A 6 -5.714 13.615 5.789 1.00 0.00 C ATOM 79 O PRO A 6 -6.846 13.193 6.020 1.00 0.00 O ATOM 80 CB PRO A 6 -3.839 14.133 7.428 1.00 0.00 C ATOM 81 CG PRO A 6 -4.286 13.823 8.847 1.00 0.00 C ATOM 82 CD PRO A 6 -5.643 14.475 9.061 1.00 0.00 C ATOM 0 HA PRO A 6 -4.809 15.482 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.449 13.241 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.040 14.874 7.424 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.352 12.746 9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.562 14.204 9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.388 13.745 9.378 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.597 15.240 9.836 1.00 0.00 H new ATOM 90 N VAL A 7 -4.963 13.231 4.766 1.00 0.00 N ATOM 91 CA VAL A 7 -5.446 12.248 3.812 1.00 0.00 C ATOM 92 C VAL A 7 -5.057 10.847 4.290 1.00 0.00 C ATOM 93 O VAL A 7 -4.047 10.678 4.971 1.00 0.00 O ATOM 94 CB VAL A 7 -4.916 12.571 2.414 1.00 0.00 C ATOM 95 CG1 VAL A 7 -3.575 11.878 2.162 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.938 12.196 1.339 1.00 0.00 C ATOM 0 H VAL A 7 -4.024 13.583 4.578 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.534 12.280 3.748 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.752 13.647 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.221 12.124 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.846 12.217 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.702 10.799 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.536 12.436 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.149 11.128 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.859 12.756 1.501 1.00 0.00 H new ATOM 106 N ASP A 8 -5.879 9.879 3.913 1.00 0.00 N ATOM 107 CA ASP A 8 -5.634 8.498 4.295 1.00 0.00 C ATOM 108 C ASP A 8 -5.117 7.723 3.081 1.00 0.00 C ATOM 109 O ASP A 8 -5.106 8.243 1.966 1.00 0.00 O ATOM 110 CB ASP A 8 -6.920 7.823 4.775 1.00 0.00 C ATOM 111 CG ASP A 8 -7.065 7.714 6.294 1.00 0.00 C ATOM 112 OD1 ASP A 8 -6.014 7.569 6.955 1.00 0.00 O ATOM 113 OD2 ASP A 8 -8.223 7.777 6.759 1.00 0.00 O ATOM 0 H ASP A 8 -6.715 10.023 3.347 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.903 8.496 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.772 8.378 4.383 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.968 6.821 4.348 1.00 0.00 H new ATOM 118 N CYS A 9 -4.702 6.491 3.339 1.00 0.00 N ATOM 119 CA CYS A 9 -4.185 5.639 2.282 1.00 0.00 C ATOM 120 C CYS A 9 -4.586 4.195 2.590 1.00 0.00 C ATOM 121 O CYS A 9 -5.100 3.492 1.721 1.00 0.00 O ATOM 122 CB CYS A 9 -2.671 5.789 2.124 1.00 0.00 C ATOM 123 SG CYS A 9 -2.132 7.351 1.337 1.00 0.00 S ATOM 0 H CYS A 9 -4.713 6.063 4.265 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.615 5.939 1.327 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.208 5.716 3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.297 4.953 1.533 1.00 0.00 H new ATOM 128 N LYS A 10 -4.336 3.796 3.828 1.00 0.00 N ATOM 129 CA LYS A 10 -4.665 2.449 4.261 1.00 0.00 C ATOM 130 C LYS A 10 -6.088 2.107 3.814 1.00 0.00 C ATOM 131 O LYS A 10 -6.288 1.205 3.003 1.00 0.00 O ATOM 132 CB LYS A 10 -4.441 2.300 5.767 1.00 0.00 C ATOM 133 CG LYS A 10 -3.499 1.133 6.069 1.00 0.00 C ATOM 134 CD LYS A 10 -2.636 1.429 7.297 1.00 0.00 C ATOM 135 CE LYS A 10 -2.975 0.478 8.447 1.00 0.00 C ATOM 136 NZ LYS A 10 -1.845 0.393 9.399 1.00 0.00 N ATOM 0 H LYS A 10 -3.909 4.382 4.545 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.000 1.725 3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.023 3.223 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.397 2.139 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.080 0.226 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.859 0.945 5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.582 1.331 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.791 2.460 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.869 0.827 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.202 -0.513 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.091 -0.256 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.001 0.039 8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.647 1.337 9.788 1.00 0.00 H new ATOM 150 N GLY A 11 -7.040 2.847 4.364 1.00 0.00 N ATOM 151 CA GLY A 11 -8.439 2.634 4.032 1.00 0.00 C ATOM 152 C GLY A 11 -8.677 2.798 2.529 1.00 0.00 C ATOM 153 O GLY A 11 -9.106 1.860 1.859 1.00 0.00 O ATOM 0 H GLY A 11 -6.870 3.594 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.743 1.635 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.059 3.343 4.581 1.00 0.00 H new ATOM 157 N GLN A 12 -8.388 3.996 2.044 1.00 0.00 N ATOM 158 CA GLN A 12 -8.566 4.295 0.633 1.00 0.00 C ATOM 159 C GLN A 12 -8.096 3.116 -0.222 1.00 0.00 C ATOM 160 O GLN A 12 -8.645 2.864 -1.294 1.00 0.00 O ATOM 161 CB GLN A 12 -7.830 5.580 0.248 1.00 0.00 C ATOM 162 CG GLN A 12 -8.717 6.807 0.469 1.00 0.00 C ATOM 163 CD GLN A 12 -9.736 6.957 -0.662 1.00 0.00 C ATOM 164 OE1 GLN A 12 -10.764 6.300 -0.697 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.396 7.855 -1.582 1.00 0.00 N ATOM 0 H GLN A 12 -8.032 4.771 2.603 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.628 4.454 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.920 5.673 0.840 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.526 5.530 -0.798 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.237 6.717 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.098 7.702 0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.521 8.371 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.011 8.028 -2.377 1.00 0.00 H new ATOM 174 N CYS A 13 -7.084 2.426 0.284 1.00 0.00 N ATOM 175 CA CYS A 13 -6.534 1.280 -0.421 1.00 0.00 C ATOM 176 C CYS A 13 -7.274 0.027 0.049 1.00 0.00 C ATOM 177 O CYS A 13 -6.680 -0.855 0.668 1.00 0.00 O ATOM 178 CB CYS A 13 -5.023 1.161 -0.214 1.00 0.00 C ATOM 179 SG CYS A 13 -4.028 2.432 -1.078 1.00 0.00 S ATOM 0 H CYS A 13 -6.631 2.638 1.173 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.679 1.406 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.811 1.218 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.701 0.176 -0.551 1.00 0.00 H new ATOM 184 N THR A 14 -8.562 -0.013 -0.262 1.00 0.00 N ATOM 185 CA THR A 14 -9.389 -1.145 0.121 1.00 0.00 C ATOM 186 C THR A 14 -9.743 -1.987 -1.107 1.00 0.00 C ATOM 187 O THR A 14 -9.636 -3.212 -1.075 1.00 0.00 O ATOM 188 CB THR A 14 -10.615 -0.605 0.860 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.125 -0.290 2.161 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.671 -1.684 1.111 1.00 0.00 C ATOM 0 H THR A 14 -9.053 0.720 -0.774 1.00 0.00 H new ATOM 0 HA THR A 14 -8.854 -1.816 0.793 1.00 0.00 H new ATOM 0 HB THR A 14 -11.057 0.208 0.284 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.901 0.663 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.519 -1.247 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.007 -2.093 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.240 -2.482 1.716 1.00 0.00 H new ATOM 198 N THR A 15 -10.156 -1.296 -2.159 1.00 0.00 N ATOM 199 CA THR A 15 -10.526 -1.965 -3.395 1.00 0.00 C ATOM 200 C THR A 15 -9.305 -2.644 -4.020 1.00 0.00 C ATOM 201 O THR A 15 -9.376 -3.801 -4.429 1.00 0.00 O ATOM 202 CB THR A 15 -11.184 -0.933 -4.313 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.580 -1.182 -4.171 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.905 -1.203 -5.793 1.00 0.00 C ATOM 0 H THR A 15 -10.243 -0.280 -2.181 1.00 0.00 H new ATOM 0 HA THR A 15 -11.245 -2.764 -3.213 1.00 0.00 H new ATOM 0 HB THR A 15 -10.827 0.064 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.083 -0.555 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.395 -0.442 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.830 -1.174 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.291 -2.186 -6.063 1.00 0.00 H new ATOM 212 N PRO A 16 -8.185 -1.874 -4.075 1.00 0.00 N ATOM 213 CA PRO A 16 -6.951 -2.389 -4.643 1.00 0.00 C ATOM 214 C PRO A 16 -6.273 -3.369 -3.683 1.00 0.00 C ATOM 215 O PRO A 16 -5.292 -4.017 -4.043 1.00 0.00 O ATOM 216 CB PRO A 16 -6.107 -1.158 -4.929 1.00 0.00 C ATOM 217 CG PRO A 16 -6.701 -0.040 -4.089 1.00 0.00 C ATOM 218 CD PRO A 16 -8.065 -0.499 -3.599 1.00 0.00 C ATOM 0 HA PRO A 16 -7.115 -2.964 -5.554 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.063 -1.331 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.132 -0.905 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.050 0.191 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.794 0.872 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.133 -0.449 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.861 0.129 -3.998 1.00 0.00 H new ATOM 226 N CYS A 17 -6.822 -3.446 -2.480 1.00 0.00 N ATOM 227 CA CYS A 17 -6.283 -4.335 -1.466 1.00 0.00 C ATOM 228 C CYS A 17 -7.414 -5.236 -0.966 1.00 0.00 C ATOM 229 O CYS A 17 -7.313 -5.827 0.108 1.00 0.00 O ATOM 230 CB CYS A 17 -5.624 -3.559 -0.324 1.00 0.00 C ATOM 231 SG CYS A 17 -4.266 -2.445 -0.837 1.00 0.00 S ATOM 0 H CYS A 17 -7.636 -2.906 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.495 -4.950 -1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.387 -2.969 0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.236 -4.271 0.404 1.00 0.00 H new ATOM 236 N GLU A 18 -8.466 -5.311 -1.768 1.00 0.00 N ATOM 237 CA GLU A 18 -9.615 -6.129 -1.420 1.00 0.00 C ATOM 238 C GLU A 18 -9.255 -7.614 -1.505 1.00 0.00 C ATOM 239 O GLU A 18 -9.405 -8.350 -0.531 1.00 0.00 O ATOM 240 CB GLU A 18 -10.812 -5.803 -2.315 1.00 0.00 C ATOM 241 CG GLU A 18 -11.944 -5.166 -1.506 1.00 0.00 C ATOM 242 CD GLU A 18 -13.310 -5.644 -2.004 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.536 -6.872 -1.948 1.00 0.00 O ATOM 244 OE2 GLU A 18 -14.096 -4.771 -2.429 1.00 0.00 O ATOM 0 H GLU A 18 -8.547 -4.819 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.899 -5.902 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.502 -5.125 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.171 -6.714 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.829 -5.418 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.884 -4.080 -1.583 1.00 0.00 H new ATOM 251 N PRO A 19 -8.775 -8.020 -2.711 1.00 0.00 N ATOM 252 CA PRO A 19 -8.392 -9.404 -2.937 1.00 0.00 C ATOM 253 C PRO A 19 -7.058 -9.721 -2.259 1.00 0.00 C ATOM 254 O PRO A 19 -6.807 -10.863 -1.878 1.00 0.00 O ATOM 255 CB PRO A 19 -8.342 -9.557 -4.448 1.00 0.00 C ATOM 256 CG PRO A 19 -8.243 -8.146 -5.007 1.00 0.00 C ATOM 257 CD PRO A 19 -8.584 -7.177 -3.887 1.00 0.00 C ATOM 0 HA PRO A 19 -9.097 -10.112 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.485 -10.158 -4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.234 -10.062 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.239 -7.955 -5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.929 -8.018 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.782 -6.455 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.485 -6.608 -4.117 1.00 0.00 H new ATOM 265 N LEU A 20 -6.236 -8.690 -2.130 1.00 0.00 N ATOM 266 CA LEU A 20 -4.933 -8.844 -1.506 1.00 0.00 C ATOM 267 C LEU A 20 -5.118 -9.118 -0.011 1.00 0.00 C ATOM 268 O LEU A 20 -4.667 -10.143 0.496 1.00 0.00 O ATOM 269 CB LEU A 20 -4.049 -7.632 -1.804 1.00 0.00 C ATOM 270 CG LEU A 20 -2.880 -7.402 -0.844 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.305 -6.527 0.337 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.278 -8.731 -0.384 1.00 0.00 C ATOM 0 H LEU A 20 -6.447 -7.744 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.409 -9.702 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.649 -7.738 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.676 -6.740 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.099 -6.863 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.456 -6.379 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.650 -5.561 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.113 -7.017 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.449 -8.539 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.040 -9.318 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.915 -9.285 -1.250 1.00 0.00 H new ATOM 284 N THR A 21 -5.784 -8.183 0.651 1.00 0.00 N ATOM 285 CA THR A 21 -6.034 -8.310 2.076 1.00 0.00 C ATOM 286 C THR A 21 -6.705 -9.650 2.382 1.00 0.00 C ATOM 287 O THR A 21 -6.248 -10.394 3.249 1.00 0.00 O ATOM 288 CB THR A 21 -6.860 -7.101 2.521 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.960 -6.002 2.399 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.199 -7.141 4.012 1.00 0.00 C ATOM 0 H THR A 21 -6.158 -7.334 0.226 1.00 0.00 H new ATOM 0 HA THR A 21 -5.103 -8.312 2.642 1.00 0.00 H new ATOM 0 HB THR A 21 -7.781 -7.057 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.225 -5.445 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.786 -6.261 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.776 -8.040 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.278 -7.151 4.594 1.00 0.00 H new ATOM 298 N ALA A 22 -7.779 -9.918 1.654 1.00 0.00 N ATOM 299 CA ALA A 22 -8.518 -11.155 1.837 1.00 0.00 C ATOM 300 C ALA A 22 -7.543 -12.335 1.810 1.00 0.00 C ATOM 301 O ALA A 22 -7.668 -13.266 2.604 1.00 0.00 O ATOM 302 CB ALA A 22 -9.599 -11.268 0.761 1.00 0.00 C ATOM 0 H ALA A 22 -8.155 -9.299 0.936 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.019 -11.163 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.153 -12.196 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.282 -10.422 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.133 -11.266 -0.224 1.00 0.00 H new ATOM 308 N CYS A 23 -6.595 -12.256 0.889 1.00 0.00 N ATOM 309 CA CYS A 23 -5.600 -13.306 0.749 1.00 0.00 C ATOM 310 C CYS A 23 -4.840 -13.427 2.071 1.00 0.00 C ATOM 311 O CYS A 23 -4.790 -14.503 2.666 1.00 0.00 O ATOM 312 CB CYS A 23 -4.658 -13.039 -0.428 1.00 0.00 C ATOM 313 SG CYS A 23 -3.993 -14.541 -1.234 1.00 0.00 S ATOM 0 H CYS A 23 -6.494 -11.482 0.232 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.094 -14.252 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.190 -12.448 -1.174 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.823 -12.432 -0.077 1.00 0.00 H new ATOM 318 N LYS A 24 -4.267 -12.309 2.493 1.00 0.00 N ATOM 319 CA LYS A 24 -3.512 -12.277 3.734 1.00 0.00 C ATOM 320 C LYS A 24 -4.411 -12.733 4.884 1.00 0.00 C ATOM 321 O LYS A 24 -4.007 -13.557 5.704 1.00 0.00 O ATOM 322 CB LYS A 24 -2.893 -10.894 3.948 1.00 0.00 C ATOM 323 CG LYS A 24 -1.388 -10.919 3.674 1.00 0.00 C ATOM 324 CD LYS A 24 -0.774 -9.530 3.859 1.00 0.00 C ATOM 325 CE LYS A 24 0.379 -9.570 4.864 1.00 0.00 C ATOM 326 NZ LYS A 24 -0.121 -9.325 6.236 1.00 0.00 N ATOM 0 H LYS A 24 -4.311 -11.419 1.997 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.674 -12.973 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.374 -10.170 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.075 -10.565 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.904 -11.627 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.205 -11.269 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.413 -9.157 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.538 -8.834 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.875 -10.540 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.124 -8.818 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.674 -9.355 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.574 -8.390 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.815 -10.057 6.489 1.00 0.00 H new ATOM 340 N GLU A 25 -5.614 -12.178 4.909 1.00 0.00 N ATOM 341 CA GLU A 25 -6.574 -12.518 5.946 1.00 0.00 C ATOM 342 C GLU A 25 -6.799 -14.031 5.986 1.00 0.00 C ATOM 343 O GLU A 25 -6.427 -14.692 6.954 1.00 0.00 O ATOM 344 CB GLU A 25 -7.894 -11.773 5.737 1.00 0.00 C ATOM 345 CG GLU A 25 -8.198 -10.853 6.921 1.00 0.00 C ATOM 346 CD GLU A 25 -9.142 -11.533 7.915 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.230 -11.954 7.467 1.00 0.00 O ATOM 348 OE2 GLU A 25 -8.754 -11.616 9.100 1.00 0.00 O ATOM 0 H GLU A 25 -5.946 -11.495 4.228 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.166 -12.205 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.843 -11.186 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.705 -12.491 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.269 -10.582 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.648 -9.928 6.561 1.00 0.00 H new ATOM 355 N LYS A 26 -7.406 -14.535 4.921 1.00 0.00 N ATOM 356 CA LYS A 26 -7.685 -15.958 4.823 1.00 0.00 C ATOM 357 C LYS A 26 -6.501 -16.746 5.387 1.00 0.00 C ATOM 358 O LYS A 26 -6.687 -17.772 6.039 1.00 0.00 O ATOM 359 CB LYS A 26 -8.044 -16.335 3.384 1.00 0.00 C ATOM 360 CG LYS A 26 -9.121 -17.422 3.355 1.00 0.00 C ATOM 361 CD LYS A 26 -10.293 -17.009 2.464 1.00 0.00 C ATOM 362 CE LYS A 26 -10.844 -18.209 1.691 1.00 0.00 C ATOM 363 NZ LYS A 26 -10.529 -18.086 0.250 1.00 0.00 N ATOM 0 H LYS A 26 -7.712 -13.984 4.119 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.557 -16.217 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.398 -15.453 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.153 -16.686 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.692 -18.354 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.478 -17.612 4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.083 -16.572 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.969 -16.239 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.416 -19.131 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.923 -18.274 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.910 -18.908 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.958 -17.216 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.498 -18.047 0.122 1.00 0.00 H new ATOM 377 N CYS A 27 -5.308 -16.235 5.116 1.00 0.00 N ATOM 378 CA CYS A 27 -4.094 -16.878 5.588 1.00 0.00 C ATOM 379 C CYS A 27 -4.015 -16.700 7.106 1.00 0.00 C ATOM 380 O CYS A 27 -3.968 -17.680 7.848 1.00 0.00 O ATOM 381 CB CYS A 27 -2.852 -16.329 4.884 1.00 0.00 C ATOM 382 SG CYS A 27 -2.847 -16.535 3.065 1.00 0.00 S ATOM 0 H CYS A 27 -5.157 -15.383 4.576 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.126 -17.941 5.349 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.759 -15.268 5.116 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.971 -16.823 5.294 1.00 0.00 H new ATOM 387 N ALA A 28 -4.004 -15.442 7.522 1.00 0.00 N ATOM 388 CA ALA A 28 -3.932 -15.123 8.938 1.00 0.00 C ATOM 389 C ALA A 28 -4.834 -16.080 9.719 1.00 0.00 C ATOM 390 O ALA A 28 -4.403 -16.684 10.699 1.00 0.00 O ATOM 391 CB ALA A 28 -4.314 -13.657 9.151 1.00 0.00 C ATOM 0 H ALA A 28 -4.044 -14.632 6.904 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.915 -15.252 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.260 -13.418 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.625 -13.018 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.330 -13.490 8.793 1.00 0.00 H new ATOM 397 N GLU A 29 -6.070 -16.188 9.254 1.00 0.00 N ATOM 398 CA GLU A 29 -7.037 -17.062 9.897 1.00 0.00 C ATOM 399 C GLU A 29 -6.469 -18.476 10.031 1.00 0.00 C ATOM 400 O GLU A 29 -6.402 -19.021 11.131 1.00 0.00 O ATOM 401 CB GLU A 29 -8.361 -17.073 9.130 1.00 0.00 C ATOM 402 CG GLU A 29 -9.262 -15.920 9.575 1.00 0.00 C ATOM 403 CD GLU A 29 -9.611 -16.038 11.060 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.425 -16.931 11.383 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.057 -15.234 11.839 1.00 0.00 O ATOM 0 H GLU A 29 -6.424 -15.685 8.440 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.237 -16.676 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.166 -16.995 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.872 -18.022 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.761 -14.970 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.177 -15.919 8.982 1.00 0.00 H new ATOM 412 N SER A 30 -6.073 -19.030 8.894 1.00 0.00 N ATOM 413 CA SER A 30 -5.512 -20.370 8.870 1.00 0.00 C ATOM 414 C SER A 30 -4.246 -20.423 9.728 1.00 0.00 C ATOM 415 O SER A 30 -3.937 -21.455 10.321 1.00 0.00 O ATOM 416 CB SER A 30 -5.202 -20.812 7.438 1.00 0.00 C ATOM 417 OG SER A 30 -5.906 -21.998 7.081 1.00 0.00 O ATOM 0 H SER A 30 -6.130 -18.575 7.983 1.00 0.00 H new ATOM 0 HA SER A 30 -6.251 -21.057 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.466 -20.012 6.747 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.130 -20.982 7.335 1.00 0.00 H new ATOM 0 HG SER A 30 -5.683 -22.246 6.160 1.00 0.00 H new ATOM 423 N CYS A 31 -3.548 -19.297 9.766 1.00 0.00 N ATOM 424 CA CYS A 31 -2.323 -19.203 10.541 1.00 0.00 C ATOM 425 C CYS A 31 -2.636 -18.471 11.848 1.00 0.00 C ATOM 426 O CYS A 31 -1.987 -17.481 12.180 1.00 0.00 O ATOM 427 CB CYS A 31 -1.207 -18.512 9.754 1.00 0.00 C ATOM 428 SG CYS A 31 -0.676 -19.394 8.241 1.00 0.00 S ATOM 0 H CYS A 31 -3.808 -18.443 9.273 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.954 -20.204 10.765 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.542 -17.513 9.476 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.343 -18.388 10.408 1.00 0.00 H new ATOM 433 N GLU A 32 -3.632 -18.987 12.553 1.00 0.00 N ATOM 434 CA GLU A 32 -4.039 -18.395 13.816 1.00 0.00 C ATOM 435 C GLU A 32 -3.071 -18.800 14.929 1.00 0.00 C ATOM 436 O GLU A 32 -2.377 -17.953 15.491 1.00 0.00 O ATOM 437 CB GLU A 32 -5.475 -18.790 14.169 1.00 0.00 C ATOM 438 CG GLU A 32 -6.413 -17.585 14.078 1.00 0.00 C ATOM 439 CD GLU A 32 -6.293 -16.702 15.323 1.00 0.00 C ATOM 440 OE1 GLU A 32 -6.414 -17.265 16.432 1.00 0.00 O ATOM 441 OE2 GLU A 32 -6.082 -15.484 15.136 1.00 0.00 O ATOM 0 H GLU A 32 -4.169 -19.808 12.274 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.010 -17.310 13.712 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.817 -19.574 13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.505 -19.203 15.177 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.175 -17.001 13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.442 -17.928 13.969 1.00 0.00 H new ATOM 448 N THR A 33 -3.054 -20.093 15.215 1.00 0.00 N ATOM 449 CA THR A 33 -2.182 -20.620 16.250 1.00 0.00 C ATOM 450 C THR A 33 -0.949 -21.278 15.626 1.00 0.00 C ATOM 451 O THR A 33 -0.619 -22.418 15.950 1.00 0.00 O ATOM 452 CB THR A 33 -3.003 -21.573 17.121 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.167 -21.822 18.248 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.181 -22.949 16.477 1.00 0.00 C ATOM 0 H THR A 33 -3.631 -20.792 14.747 1.00 0.00 H new ATOM 0 HA THR A 33 -1.799 -19.823 16.887 1.00 0.00 H new ATOM 0 HB THR A 33 -3.982 -21.134 17.315 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.344 -22.265 17.953 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.771 -23.586 17.136 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.696 -22.840 15.522 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.204 -23.403 16.313 1.00 0.00 H new ATOM 462 N SER A 34 -0.304 -20.532 14.742 1.00 0.00 N ATOM 463 CA SER A 34 0.885 -21.028 14.070 1.00 0.00 C ATOM 464 C SER A 34 2.140 -20.502 14.769 1.00 0.00 C ATOM 465 O SER A 34 2.182 -19.347 15.191 1.00 0.00 O ATOM 466 CB SER A 34 0.891 -20.625 12.594 1.00 0.00 C ATOM 467 OG SER A 34 1.014 -21.754 11.733 1.00 0.00 O ATOM 0 H SER A 34 -0.582 -19.588 14.475 1.00 0.00 H new ATOM 0 HA SER A 34 0.878 -22.117 14.122 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.029 -20.090 12.361 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.716 -19.937 12.409 1.00 0.00 H new ATOM 0 HG SER A 34 1.623 -21.539 10.996 1.00 0.00 H new ATOM 473 N ALA A 35 3.132 -21.374 14.870 1.00 0.00 N ATOM 474 CA ALA A 35 4.385 -21.012 15.510 1.00 0.00 C ATOM 475 C ALA A 35 4.790 -19.604 15.070 1.00 0.00 C ATOM 476 O ALA A 35 4.741 -18.664 15.861 1.00 0.00 O ATOM 477 CB ALA A 35 5.451 -22.057 15.175 1.00 0.00 C ATOM 0 H ALA A 35 3.093 -22.331 14.519 1.00 0.00 H new ATOM 0 HA ALA A 35 4.272 -20.998 16.594 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.391 -21.785 15.655 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.129 -23.034 15.535 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.594 -22.098 14.095 1.00 0.00 H new ATOM 483 N ASP A 36 5.180 -19.502 13.808 1.00 0.00 N ATOM 484 CA ASP A 36 5.593 -18.225 13.252 1.00 0.00 C ATOM 485 C ASP A 36 4.494 -17.696 12.329 1.00 0.00 C ATOM 486 O ASP A 36 4.469 -18.015 11.141 1.00 0.00 O ATOM 487 CB ASP A 36 6.873 -18.371 12.428 1.00 0.00 C ATOM 488 CG ASP A 36 8.107 -18.807 13.221 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.954 -19.000 14.446 1.00 0.00 O ATOM 490 OD2 ASP A 36 9.174 -18.938 12.584 1.00 0.00 O ATOM 0 H ASP A 36 5.219 -20.284 13.154 1.00 0.00 H new ATOM 0 HA ASP A 36 5.774 -17.540 14.080 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.695 -19.096 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.088 -17.417 11.946 1.00 0.00 H new ATOM 495 N LYS A 37 3.610 -16.897 12.909 1.00 0.00 N ATOM 496 CA LYS A 37 2.511 -16.321 12.153 1.00 0.00 C ATOM 497 C LYS A 37 3.073 -15.498 10.993 1.00 0.00 C ATOM 498 O LYS A 37 2.636 -15.647 9.852 1.00 0.00 O ATOM 499 CB LYS A 37 1.583 -15.530 13.076 1.00 0.00 C ATOM 500 CG LYS A 37 0.153 -16.069 13.009 1.00 0.00 C ATOM 501 CD LYS A 37 -0.864 -14.969 13.321 1.00 0.00 C ATOM 502 CE LYS A 37 -1.706 -15.331 14.545 1.00 0.00 C ATOM 503 NZ LYS A 37 -2.027 -14.119 15.332 1.00 0.00 N ATOM 0 H LYS A 37 3.633 -16.635 13.894 1.00 0.00 H new ATOM 0 HA LYS A 37 1.894 -17.107 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.949 -15.587 14.101 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.592 -14.478 12.792 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.040 -16.476 12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.036 -16.889 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.344 -14.028 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.515 -14.816 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.627 -15.820 14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.165 -16.043 15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.599 -14.384 16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.145 -13.668 15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.562 -13.452 14.740 1.00 0.00 H new ATOM 517 N LYS A 38 4.033 -14.647 11.323 1.00 0.00 N ATOM 518 CA LYS A 38 4.659 -13.799 10.322 1.00 0.00 C ATOM 519 C LYS A 38 5.054 -14.651 9.114 1.00 0.00 C ATOM 520 O LYS A 38 4.561 -14.434 8.009 1.00 0.00 O ATOM 521 CB LYS A 38 5.825 -13.020 10.933 1.00 0.00 C ATOM 522 CG LYS A 38 5.584 -11.512 10.844 1.00 0.00 C ATOM 523 CD LYS A 38 4.438 -11.085 11.763 1.00 0.00 C ATOM 524 CE LYS A 38 4.909 -10.979 13.214 1.00 0.00 C ATOM 525 NZ LYS A 38 3.750 -10.910 14.132 1.00 0.00 N ATOM 0 H LYS A 38 4.393 -14.526 12.270 1.00 0.00 H new ATOM 0 HA LYS A 38 3.956 -13.046 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.954 -13.310 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.749 -13.275 10.414 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.494 -10.978 11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.352 -11.237 9.815 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.042 -10.124 11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.623 -11.806 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.528 -11.840 13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.531 -10.092 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.088 -10.838 15.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.174 -10.075 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.172 -11.768 14.027 1.00 0.00 H new ATOM 539 N THR A 39 5.941 -15.603 9.366 1.00 0.00 N ATOM 540 CA THR A 39 6.408 -16.488 8.313 1.00 0.00 C ATOM 541 C THR A 39 5.225 -17.179 7.633 1.00 0.00 C ATOM 542 O THR A 39 5.091 -17.129 6.411 1.00 0.00 O ATOM 543 CB THR A 39 7.412 -17.466 8.928 1.00 0.00 C ATOM 544 OG1 THR A 39 8.397 -16.625 9.521 1.00 0.00 O ATOM 545 CG2 THR A 39 8.184 -18.255 7.869 1.00 0.00 C ATOM 0 H THR A 39 6.348 -15.780 10.284 1.00 0.00 H new ATOM 0 HA THR A 39 6.915 -15.932 7.525 1.00 0.00 H new ATOM 0 HB THR A 39 6.888 -18.159 9.586 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.087 -17.177 9.945 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.882 -18.934 8.358 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.485 -18.830 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.736 -17.564 7.231 1.00 0.00 H new ATOM 553 N CYS A 40 4.396 -17.807 8.454 1.00 0.00 N ATOM 554 CA CYS A 40 3.228 -18.507 7.947 1.00 0.00 C ATOM 555 C CYS A 40 2.555 -17.620 6.897 1.00 0.00 C ATOM 556 O CYS A 40 2.419 -18.015 5.740 1.00 0.00 O ATOM 557 CB CYS A 40 2.265 -18.890 9.072 1.00 0.00 C ATOM 558 SG CYS A 40 1.095 -20.234 8.657 1.00 0.00 S ATOM 0 H CYS A 40 4.510 -17.846 9.467 1.00 0.00 H new ATOM 0 HA CYS A 40 3.535 -19.446 7.486 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.847 -19.191 9.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.695 -18.007 9.359 1.00 0.00 H new ATOM 563 N ARG A 41 2.151 -16.438 7.338 1.00 0.00 N ATOM 564 CA ARG A 41 1.495 -15.492 6.452 1.00 0.00 C ATOM 565 C ARG A 41 2.373 -15.214 5.230 1.00 0.00 C ATOM 566 O ARG A 41 1.925 -15.359 4.093 1.00 0.00 O ATOM 567 CB ARG A 41 1.202 -14.174 7.171 1.00 0.00 C ATOM 568 CG ARG A 41 -0.040 -14.298 8.057 1.00 0.00 C ATOM 569 CD ARG A 41 -0.501 -12.924 8.548 1.00 0.00 C ATOM 570 NE ARG A 41 -0.232 -12.788 9.997 1.00 0.00 N ATOM 571 CZ ARG A 41 -0.208 -11.618 10.650 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.436 -10.476 9.987 1.00 0.00 N ATOM 573 NH2 ARG A 41 0.045 -11.590 11.966 1.00 0.00 N ATOM 0 H ARG A 41 2.265 -16.114 8.298 1.00 0.00 H new ATOM 0 HA ARG A 41 0.552 -15.936 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.060 -13.889 7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.053 -13.381 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.844 -14.777 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.180 -14.939 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.018 -12.139 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.566 -12.798 8.354 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.054 -13.638 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.628 -10.497 8.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.418 -9.585 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.219 -12.459 12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.063 -10.699 12.463 1.00 0.00 H new ATOM 587 N ARG A 42 3.607 -14.818 5.505 1.00 0.00 N ATOM 588 CA ARG A 42 4.551 -14.518 4.443 1.00 0.00 C ATOM 589 C ARG A 42 4.490 -15.596 3.358 1.00 0.00 C ATOM 590 O ARG A 42 4.249 -15.293 2.191 1.00 0.00 O ATOM 591 CB ARG A 42 5.980 -14.429 4.984 1.00 0.00 C ATOM 592 CG ARG A 42 6.400 -12.972 5.186 1.00 0.00 C ATOM 593 CD ARG A 42 6.104 -12.509 6.614 1.00 0.00 C ATOM 594 NE ARG A 42 6.563 -11.114 6.799 1.00 0.00 N ATOM 595 CZ ARG A 42 5.923 -10.042 6.312 1.00 0.00 C ATOM 596 NH1 ARG A 42 4.793 -10.199 5.608 1.00 0.00 N ATOM 597 NH2 ARG A 42 6.412 -8.814 6.529 1.00 0.00 N ATOM 0 H ARG A 42 3.975 -14.698 6.449 1.00 0.00 H new ATOM 0 HA ARG A 42 4.275 -13.553 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.048 -14.965 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.666 -14.916 4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.465 -12.865 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.871 -12.336 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.035 -12.578 6.813 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.604 -13.163 7.328 1.00 0.00 H new ATOM 0 HE ARG A 42 7.420 -10.959 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.421 -11.134 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.306 -9.383 5.237 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.272 -8.695 7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.925 -7.998 6.158 1.00 0.00 H new ATOM 611 N ASN A 43 4.714 -16.831 3.783 1.00 0.00 N ATOM 612 CA ASN A 43 4.687 -17.955 2.863 1.00 0.00 C ATOM 613 C ASN A 43 3.340 -17.983 2.138 1.00 0.00 C ATOM 614 O ASN A 43 3.287 -18.196 0.927 1.00 0.00 O ATOM 615 CB ASN A 43 4.851 -19.281 3.608 1.00 0.00 C ATOM 616 CG ASN A 43 6.237 -19.879 3.364 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.955 -19.499 2.454 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.573 -20.835 4.226 1.00 0.00 N ATOM 0 H ASN A 43 4.915 -17.078 4.752 1.00 0.00 H new ATOM 0 HA ASN A 43 5.510 -17.834 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.702 -19.123 4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.085 -19.984 3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.479 -21.297 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.925 -21.106 4.965 1.00 0.00 H new ATOM 625 N CYS A 44 2.285 -17.765 2.908 1.00 0.00 N ATOM 626 CA CYS A 44 0.941 -17.763 2.355 1.00 0.00 C ATOM 627 C CYS A 44 0.818 -16.576 1.397 1.00 0.00 C ATOM 628 O CYS A 44 -0.026 -16.580 0.503 1.00 0.00 O ATOM 629 CB CYS A 44 -0.123 -17.723 3.453 1.00 0.00 C ATOM 630 SG CYS A 44 -1.770 -18.340 2.948 1.00 0.00 S ATOM 0 H CYS A 44 2.333 -17.588 3.911 1.00 0.00 H new ATOM 0 HA CYS A 44 0.769 -18.690 1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.227 -18.313 4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.227 -16.696 3.802 1.00 0.00 H new ATOM 635 N LYS A 45 1.673 -15.588 1.618 1.00 0.00 N ATOM 636 CA LYS A 45 1.671 -14.396 0.786 1.00 0.00 C ATOM 637 C LYS A 45 2.233 -14.742 -0.595 1.00 0.00 C ATOM 638 O LYS A 45 1.748 -14.244 -1.609 1.00 0.00 O ATOM 639 CB LYS A 45 2.412 -13.254 1.483 1.00 0.00 C ATOM 640 CG LYS A 45 1.980 -11.897 0.923 1.00 0.00 C ATOM 641 CD LYS A 45 3.172 -11.146 0.326 1.00 0.00 C ATOM 642 CE LYS A 45 3.788 -10.192 1.351 1.00 0.00 C ATOM 643 NZ LYS A 45 4.788 -10.899 2.182 1.00 0.00 N ATOM 0 H LYS A 45 2.372 -15.588 2.361 1.00 0.00 H new ATOM 0 HA LYS A 45 0.652 -14.039 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.215 -13.289 2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.487 -13.380 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.217 -12.041 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.529 -11.300 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.924 -11.859 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.850 -10.585 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.260 -9.354 0.839 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.006 -9.778 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.196 -10.237 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.328 -11.684 2.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.543 -11.273 1.573 1.00 0.00 H new ATOM 657 N LYS A 46 3.249 -15.594 -0.588 1.00 0.00 N ATOM 658 CA LYS A 46 3.882 -16.012 -1.827 1.00 0.00 C ATOM 659 C LYS A 46 3.134 -17.219 -2.395 1.00 0.00 C ATOM 660 O LYS A 46 3.362 -17.614 -3.538 1.00 0.00 O ATOM 661 CB LYS A 46 5.376 -16.262 -1.607 1.00 0.00 C ATOM 662 CG LYS A 46 6.156 -14.945 -1.592 1.00 0.00 C ATOM 663 CD LYS A 46 6.895 -14.731 -2.914 1.00 0.00 C ATOM 664 CE LYS A 46 8.165 -15.583 -2.976 1.00 0.00 C ATOM 665 NZ LYS A 46 9.326 -14.754 -3.369 1.00 0.00 N ATOM 0 H LYS A 46 3.649 -16.005 0.256 1.00 0.00 H new ATOM 0 HA LYS A 46 3.821 -15.219 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.525 -16.788 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.761 -16.908 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.472 -14.115 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.870 -14.950 -0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.240 -14.987 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.153 -13.678 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.350 -16.042 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.031 -16.394 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.179 -15.347 -3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.153 -14.337 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.462 -13.995 -2.671 1.00 0.00 H new ATOM 679 N ALA A 47 2.256 -17.773 -1.571 1.00 0.00 N ATOM 680 CA ALA A 47 1.473 -18.927 -1.977 1.00 0.00 C ATOM 681 C ALA A 47 0.617 -18.556 -3.189 1.00 0.00 C ATOM 682 O ALA A 47 0.697 -19.204 -4.232 1.00 0.00 O ATOM 683 CB ALA A 47 0.631 -19.414 -0.796 1.00 0.00 C ATOM 0 H ALA A 47 2.070 -17.443 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 47 2.125 -19.748 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.043 -20.280 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.287 -19.693 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.038 -18.617 -0.473 1.00 0.00 H new ATOM 689 N ASP A 48 -0.183 -17.515 -3.013 1.00 0.00 N ATOM 690 CA ASP A 48 -1.054 -17.050 -4.079 1.00 0.00 C ATOM 691 C ASP A 48 -1.500 -15.617 -3.780 1.00 0.00 C ATOM 692 O ASP A 48 -2.684 -15.299 -3.876 1.00 0.00 O ATOM 693 CB ASP A 48 -2.306 -17.922 -4.188 1.00 0.00 C ATOM 694 CG ASP A 48 -2.891 -18.041 -5.596 1.00 0.00 C ATOM 695 OD1 ASP A 48 -2.108 -17.857 -6.553 1.00 0.00 O ATOM 696 OD2 ASP A 48 -4.107 -18.314 -5.685 1.00 0.00 O ATOM 0 H ASP A 48 -0.246 -16.980 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.497 -17.101 -5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.067 -18.921 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.071 -17.517 -3.526 1.00 0.00 H new ATOM 701 N CYS A 49 -0.527 -14.791 -3.422 1.00 0.00 N ATOM 702 CA CYS A 49 -0.805 -13.400 -3.108 1.00 0.00 C ATOM 703 C CYS A 49 0.428 -12.570 -3.472 1.00 0.00 C ATOM 704 O CYS A 49 0.722 -11.571 -2.819 1.00 0.00 O ATOM 705 CB CYS A 49 -1.202 -13.220 -1.641 1.00 0.00 C ATOM 706 SG CYS A 49 -2.043 -14.661 -0.891 1.00 0.00 S ATOM 0 H CYS A 49 0.454 -15.059 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.659 -13.056 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.306 -12.998 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.857 -12.352 -1.560 1.00 0.00 H new ATOM 711 N GLU A 50 1.114 -13.015 -4.514 1.00 0.00 N ATOM 712 CA GLU A 50 2.308 -12.326 -4.973 1.00 0.00 C ATOM 713 C GLU A 50 1.927 -11.083 -5.779 1.00 0.00 C ATOM 714 O GLU A 50 2.454 -9.998 -5.540 1.00 0.00 O ATOM 715 CB GLU A 50 3.199 -13.260 -5.795 1.00 0.00 C ATOM 716 CG GLU A 50 4.404 -13.729 -4.977 1.00 0.00 C ATOM 717 CD GLU A 50 5.649 -13.855 -5.857 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.051 -12.816 -6.423 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.169 -14.988 -5.945 1.00 0.00 O ATOM 0 H GLU A 50 0.866 -13.844 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 50 2.878 -12.009 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.621 -14.123 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.542 -12.745 -6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.596 -13.024 -4.168 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.182 -14.691 -4.515 1.00 0.00 H new ATOM 726 N PRO A 51 0.989 -11.288 -6.742 1.00 0.00 N ATOM 727 CA PRO A 51 0.530 -10.196 -7.585 1.00 0.00 C ATOM 728 C PRO A 51 -0.412 -9.268 -6.816 1.00 0.00 C ATOM 729 O PRO A 51 -0.456 -8.067 -7.076 1.00 0.00 O ATOM 730 CB PRO A 51 -0.138 -10.870 -8.772 1.00 0.00 C ATOM 731 CG PRO A 51 -0.441 -12.292 -8.329 1.00 0.00 C ATOM 732 CD PRO A 51 0.342 -12.559 -7.053 1.00 0.00 C ATOM 0 HA PRO A 51 1.343 -9.550 -7.916 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.051 -10.346 -9.055 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.516 -10.864 -9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.510 -12.418 -8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.159 -13.002 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.316 -12.877 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.076 -13.352 -7.197 1.00 0.00 H new ATOM 740 N GLN A 52 -1.144 -9.861 -5.883 1.00 0.00 N ATOM 741 CA GLN A 52 -2.083 -9.103 -5.075 1.00 0.00 C ATOM 742 C GLN A 52 -1.332 -8.154 -4.138 1.00 0.00 C ATOM 743 O GLN A 52 -1.593 -6.952 -4.127 1.00 0.00 O ATOM 744 CB GLN A 52 -3.005 -10.035 -4.286 1.00 0.00 C ATOM 745 CG GLN A 52 -3.618 -11.100 -5.198 1.00 0.00 C ATOM 746 CD GLN A 52 -4.607 -11.977 -4.428 1.00 0.00 C ATOM 747 OE1 GLN A 52 -5.070 -11.638 -3.351 1.00 0.00 O ATOM 748 NE2 GLN A 52 -4.904 -13.121 -5.038 1.00 0.00 N ATOM 0 H GLN A 52 -1.105 -10.858 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.707 -8.507 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.443 -10.516 -3.485 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.798 -9.454 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.127 -10.619 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.828 -11.721 -5.620 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.481 -13.343 -5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.555 -13.776 -4.605 1.00 0.00 H new ATOM 757 N ASP A 53 -0.414 -8.730 -3.376 1.00 0.00 N ATOM 758 CA ASP A 53 0.376 -7.950 -2.438 1.00 0.00 C ATOM 759 C ASP A 53 1.046 -6.793 -3.182 1.00 0.00 C ATOM 760 O ASP A 53 1.195 -5.702 -2.633 1.00 0.00 O ATOM 761 CB ASP A 53 1.476 -8.803 -1.803 1.00 0.00 C ATOM 762 CG ASP A 53 2.072 -8.235 -0.513 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.364 -8.300 0.515 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.221 -7.749 -0.585 1.00 0.00 O ATOM 0 H ASP A 53 -0.200 -9.727 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.291 -7.582 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.071 -9.793 -1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.278 -8.934 -2.529 1.00 0.00 H new ATOM 769 N LYS A 54 1.431 -7.070 -4.419 1.00 0.00 N ATOM 770 CA LYS A 54 2.080 -6.065 -5.243 1.00 0.00 C ATOM 771 C LYS A 54 1.089 -4.939 -5.544 1.00 0.00 C ATOM 772 O LYS A 54 1.316 -3.790 -5.167 1.00 0.00 O ATOM 773 CB LYS A 54 2.681 -6.706 -6.496 1.00 0.00 C ATOM 774 CG LYS A 54 3.999 -7.412 -6.172 1.00 0.00 C ATOM 775 CD LYS A 54 4.677 -7.919 -7.446 1.00 0.00 C ATOM 776 CE LYS A 54 6.066 -7.298 -7.613 1.00 0.00 C ATOM 777 NZ LYS A 54 6.067 -6.321 -8.724 1.00 0.00 N ATOM 0 H LYS A 54 1.306 -7.976 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 54 2.918 -5.618 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.975 -7.422 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.851 -5.942 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.665 -6.725 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.812 -8.248 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.762 -9.005 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.060 -7.677 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.364 -6.805 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.799 -8.080 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.017 -5.909 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.803 -6.801 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.382 -5.565 -8.522 1.00 0.00 H new ATOM 791 N VAL A 55 0.010 -5.308 -6.219 1.00 0.00 N ATOM 792 CA VAL A 55 -1.017 -4.343 -6.574 1.00 0.00 C ATOM 793 C VAL A 55 -1.271 -3.415 -5.385 1.00 0.00 C ATOM 794 O VAL A 55 -1.251 -2.193 -5.531 1.00 0.00 O ATOM 795 CB VAL A 55 -2.278 -5.071 -7.045 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.472 -4.116 -7.103 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.048 -5.746 -8.399 1.00 0.00 C ATOM 0 H VAL A 55 -0.175 -6.262 -6.529 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.687 -3.722 -7.406 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.507 -5.850 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.355 -4.658 -7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.656 -3.703 -6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.256 -3.305 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.959 -6.256 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.782 -4.993 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.238 -6.471 -8.311 1.00 0.00 H new ATOM 807 N CYS A 56 -1.505 -4.029 -4.235 1.00 0.00 N ATOM 808 CA CYS A 56 -1.763 -3.272 -3.021 1.00 0.00 C ATOM 809 C CYS A 56 -0.648 -2.239 -2.853 1.00 0.00 C ATOM 810 O CYS A 56 -0.904 -1.036 -2.866 1.00 0.00 O ATOM 811 CB CYS A 56 -1.885 -4.186 -1.800 1.00 0.00 C ATOM 812 SG CYS A 56 -2.565 -3.381 -0.304 1.00 0.00 S ATOM 0 H CYS A 56 -1.521 -5.042 -4.118 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.721 -2.759 -3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.520 -5.033 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.899 -4.587 -1.564 1.00 0.00 H new ATOM 817 N ASP A 57 0.567 -2.746 -2.698 1.00 0.00 N ATOM 818 CA ASP A 57 1.722 -1.883 -2.527 1.00 0.00 C ATOM 819 C ASP A 57 1.607 -0.690 -3.478 1.00 0.00 C ATOM 820 O ASP A 57 1.761 0.458 -3.062 1.00 0.00 O ATOM 821 CB ASP A 57 3.019 -2.626 -2.856 1.00 0.00 C ATOM 822 CG ASP A 57 4.228 -2.222 -2.010 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.639 -1.048 -2.130 1.00 0.00 O ATOM 824 OD2 ASP A 57 4.714 -3.098 -1.261 1.00 0.00 O ATOM 0 H ASP A 57 0.776 -3.744 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 57 1.747 -1.556 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.849 -3.695 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.258 -2.461 -3.907 1.00 0.00 H new ATOM 829 N ALA A 58 1.337 -1.001 -4.737 1.00 0.00 N ATOM 830 CA ALA A 58 1.199 0.031 -5.751 1.00 0.00 C ATOM 831 C ALA A 58 0.308 1.153 -5.212 1.00 0.00 C ATOM 832 O ALA A 58 0.692 2.321 -5.237 1.00 0.00 O ATOM 833 CB ALA A 58 0.646 -0.586 -7.037 1.00 0.00 C ATOM 0 H ALA A 58 1.210 -1.954 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 58 2.169 0.466 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.543 0.188 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.330 -1.356 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.329 -1.031 -6.837 1.00 0.00 H new ATOM 839 N CYS A 59 -0.864 0.758 -4.739 1.00 0.00 N ATOM 840 CA CYS A 59 -1.813 1.715 -4.195 1.00 0.00 C ATOM 841 C CYS A 59 -1.090 2.566 -3.150 1.00 0.00 C ATOM 842 O CYS A 59 -0.980 3.782 -3.302 1.00 0.00 O ATOM 843 CB CYS A 59 -3.046 1.021 -3.613 1.00 0.00 C ATOM 844 SG CYS A 59 -4.362 2.153 -3.034 1.00 0.00 S ATOM 0 H CYS A 59 -1.179 -0.212 -4.721 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.183 2.358 -4.993 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.464 0.358 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.733 0.394 -2.778 1.00 0.00 H new ATOM 849 N ARG A 60 -0.616 1.894 -2.110 1.00 0.00 N ATOM 850 CA ARG A 60 0.093 2.574 -1.040 1.00 0.00 C ATOM 851 C ARG A 60 1.220 3.436 -1.613 1.00 0.00 C ATOM 852 O ARG A 60 1.554 4.479 -1.054 1.00 0.00 O ATOM 853 CB ARG A 60 0.681 1.572 -0.045 1.00 0.00 C ATOM 854 CG ARG A 60 -0.425 0.788 0.663 1.00 0.00 C ATOM 855 CD ARG A 60 0.071 0.218 1.993 1.00 0.00 C ATOM 856 NE ARG A 60 -0.014 -1.259 1.975 1.00 0.00 N ATOM 857 CZ ARG A 60 0.935 -2.060 1.471 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.047 -1.531 0.942 1.00 0.00 N ATOM 859 NH2 ARG A 60 0.773 -3.390 1.497 1.00 0.00 N ATOM 0 H ARG A 60 -0.709 0.886 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.624 3.208 -0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.343 0.882 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.287 2.099 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.281 1.439 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.768 -0.023 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.101 0.529 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.527 0.615 2.813 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.847 -1.695 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.171 -0.519 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.769 -2.141 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.073 -3.793 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.495 -3.999 1.113 1.00 0.00 H new ATOM 873 N MET A 61 1.775 2.967 -2.721 1.00 0.00 N ATOM 874 CA MET A 61 2.858 3.681 -3.376 1.00 0.00 C ATOM 875 C MET A 61 2.328 4.887 -4.153 1.00 0.00 C ATOM 876 O MET A 61 2.993 5.919 -4.235 1.00 0.00 O ATOM 877 CB MET A 61 3.587 2.736 -4.333 1.00 0.00 C ATOM 878 CG MET A 61 4.412 3.521 -5.355 1.00 0.00 C ATOM 879 SD MET A 61 6.019 2.770 -5.550 1.00 0.00 S ATOM 880 CE MET A 61 5.620 1.483 -6.722 1.00 0.00 C ATOM 0 H MET A 61 1.495 2.101 -3.182 1.00 0.00 H new ATOM 0 HA MET A 61 3.547 4.040 -2.611 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.239 2.071 -3.767 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.863 2.107 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.893 3.543 -6.313 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.522 4.555 -5.028 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.519 0.912 -6.956 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.870 0.819 -6.292 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.227 1.931 -7.635 1.00 0.00 H new ATOM 890 N LYS A 62 1.135 4.718 -4.705 1.00 0.00 N ATOM 891 CA LYS A 62 0.508 5.780 -5.473 1.00 0.00 C ATOM 892 C LYS A 62 -0.062 6.828 -4.515 1.00 0.00 C ATOM 893 O LYS A 62 0.286 8.005 -4.599 1.00 0.00 O ATOM 894 CB LYS A 62 -0.528 5.203 -6.439 1.00 0.00 C ATOM 895 CG LYS A 62 -0.282 5.696 -7.866 1.00 0.00 C ATOM 896 CD LYS A 62 0.281 4.577 -8.744 1.00 0.00 C ATOM 897 CE LYS A 62 1.745 4.844 -9.101 1.00 0.00 C ATOM 898 NZ LYS A 62 2.553 3.617 -8.927 1.00 0.00 N ATOM 0 H LYS A 62 0.586 3.861 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 62 1.245 6.285 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.486 4.114 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.529 5.491 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.215 6.064 -8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.414 6.535 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.198 3.624 -8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.310 4.493 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.817 5.190 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.140 5.639 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.547 3.820 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.485 3.294 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.196 2.874 -9.561 1.00 0.00 H new ATOM 912 N CYS A 63 -0.927 6.363 -3.626 1.00 0.00 N ATOM 913 CA CYS A 63 -1.548 7.246 -2.653 1.00 0.00 C ATOM 914 C CYS A 63 -0.480 8.206 -2.125 1.00 0.00 C ATOM 915 O CYS A 63 -0.636 9.422 -2.212 1.00 0.00 O ATOM 916 CB CYS A 63 -2.219 6.461 -1.524 1.00 0.00 C ATOM 917 SG CYS A 63 -3.280 7.461 -0.418 1.00 0.00 S ATOM 0 H CYS A 63 -1.213 5.386 -3.559 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.343 7.817 -3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.823 5.666 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.445 5.980 -0.925 1.00 0.00 H new ATOM 922 N HIS A 64 0.581 7.622 -1.588 1.00 0.00 N ATOM 923 CA HIS A 64 1.675 8.410 -1.046 1.00 0.00 C ATOM 924 C HIS A 64 1.977 9.582 -1.982 1.00 0.00 C ATOM 925 O HIS A 64 1.728 10.736 -1.638 1.00 0.00 O ATOM 926 CB HIS A 64 2.899 7.532 -0.781 1.00 0.00 C ATOM 927 CG HIS A 64 3.599 7.830 0.523 1.00 0.00 C ATOM 928 ND1 HIS A 64 3.250 7.224 1.717 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.631 8.675 0.807 1.00 0.00 C ATOM 930 CE1 HIS A 64 4.042 7.691 2.671 1.00 0.00 C ATOM 931 NE2 HIS A 64 4.897 8.591 2.105 1.00 0.00 N ATOM 0 H HIS A 64 0.706 6.612 -1.517 1.00 0.00 H new ATOM 0 HA HIS A 64 1.384 8.826 -0.082 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.591 6.486 -0.785 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.608 7.659 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.145 9.306 0.097 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.015 7.409 3.713 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.621 9.113 2.598 1.00 0.00 H new ATOM 939 N LYS A 65 2.508 9.244 -3.148 1.00 0.00 N ATOM 940 CA LYS A 65 2.847 10.253 -4.137 1.00 0.00 C ATOM 941 C LYS A 65 1.626 11.139 -4.393 1.00 0.00 C ATOM 942 O LYS A 65 1.713 12.363 -4.305 1.00 0.00 O ATOM 943 CB LYS A 65 3.408 9.598 -5.401 1.00 0.00 C ATOM 944 CG LYS A 65 4.869 9.188 -5.203 1.00 0.00 C ATOM 945 CD LYS A 65 5.591 9.069 -6.546 1.00 0.00 C ATOM 946 CE LYS A 65 5.913 7.608 -6.869 1.00 0.00 C ATOM 947 NZ LYS A 65 6.306 7.466 -8.289 1.00 0.00 N ATOM 0 H LYS A 65 2.712 8.285 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 65 3.640 10.901 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.812 8.722 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.331 10.291 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.375 9.923 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.915 8.235 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.969 9.491 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.512 9.651 -6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.719 7.256 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.044 6.983 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.521 6.469 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.525 7.783 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.148 8.047 -8.476 1.00 0.00 H new ATOM 961 N ALA A 66 0.516 10.486 -4.706 1.00 0.00 N ATOM 962 CA ALA A 66 -0.720 11.200 -4.977 1.00 0.00 C ATOM 963 C ALA A 66 -0.914 12.293 -3.924 1.00 0.00 C ATOM 964 O ALA A 66 -1.010 13.473 -4.260 1.00 0.00 O ATOM 965 CB ALA A 66 -1.885 10.208 -5.008 1.00 0.00 C ATOM 0 H ALA A 66 0.447 9.471 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.677 11.685 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.813 10.743 -5.211 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.713 9.469 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.960 9.705 -4.044 1.00 0.00 H new ATOM 971 N CYS A 67 -0.965 11.862 -2.672 1.00 0.00 N ATOM 972 CA CYS A 67 -1.145 12.790 -1.568 1.00 0.00 C ATOM 973 C CYS A 67 -0.216 13.985 -1.788 1.00 0.00 C ATOM 974 O CYS A 67 -0.663 15.130 -1.800 1.00 0.00 O ATOM 975 CB CYS A 67 -0.899 12.116 -0.217 1.00 0.00 C ATOM 976 SG CYS A 67 -0.633 13.270 1.179 1.00 0.00 S ATOM 0 H CYS A 67 -0.885 10.883 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.179 13.135 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.751 11.477 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.028 11.466 -0.304 1.00 0.00 H new ATOM 981 N ARG A 68 1.062 13.677 -1.957 1.00 0.00 N ATOM 982 CA ARG A 68 2.059 14.711 -2.176 1.00 0.00 C ATOM 983 C ARG A 68 1.554 15.725 -3.205 1.00 0.00 C ATOM 984 O ARG A 68 1.869 16.911 -3.118 1.00 0.00 O ATOM 985 CB ARG A 68 3.377 14.110 -2.668 1.00 0.00 C ATOM 986 CG ARG A 68 4.517 15.124 -2.556 1.00 0.00 C ATOM 987 CD ARG A 68 5.748 14.654 -3.334 1.00 0.00 C ATOM 988 NE ARG A 68 5.737 15.234 -4.696 1.00 0.00 N ATOM 989 CZ ARG A 68 6.592 14.885 -5.667 1.00 0.00 C ATOM 990 NH1 ARG A 68 7.531 13.959 -5.433 1.00 0.00 N ATOM 991 NH2 ARG A 68 6.508 15.464 -6.873 1.00 0.00 N ATOM 0 H ARG A 68 1.430 12.726 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 68 2.234 15.210 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.617 13.222 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.271 13.790 -3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.188 16.090 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.778 15.268 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.656 14.953 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.758 13.566 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 68 5.035 15.943 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.596 13.519 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.181 13.694 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.794 16.170 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.159 15.199 -7.612 1.00 0.00 H new ATOM 1005 N ALA A 69 0.778 15.222 -4.154 1.00 0.00 N ATOM 1006 CA ALA A 69 0.227 16.069 -5.197 1.00 0.00 C ATOM 1007 C ALA A 69 -1.126 16.618 -4.740 1.00 0.00 C ATOM 1008 O ALA A 69 -1.500 17.735 -5.097 1.00 0.00 O ATOM 1009 CB ALA A 69 0.124 15.274 -6.500 1.00 0.00 C ATOM 0 H ALA A 69 0.518 14.238 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 69 0.881 16.920 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.290 15.910 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.115 14.932 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.527 14.413 -6.350 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.824 15.808 -3.958 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.128 16.199 -3.449 1.00 0.00 C ATOM 1017 C ALA A 70 -2.949 17.262 -2.363 1.00 0.00 C ATOM 1018 O ALA A 70 -3.031 18.457 -2.640 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.868 14.961 -2.937 1.00 0.00 C ATOM 0 H ALA A 70 -1.511 14.883 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.734 16.637 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.846 15.254 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.995 14.250 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.291 14.497 -2.138 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.707 16.787 -1.150 1.00 0.00 N ATOM 1026 CA ASN A 71 -2.515 17.682 -0.021 1.00 0.00 C ATOM 1027 C ASN A 71 -1.338 18.616 -0.309 1.00 0.00 C ATOM 1028 O ASN A 71 -1.530 19.810 -0.534 1.00 0.00 O ATOM 1029 CB ASN A 71 -2.196 16.899 1.254 1.00 0.00 C ATOM 1030 CG ASN A 71 -3.367 16.950 2.237 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.241 17.381 3.372 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -4.511 16.487 1.740 1.00 0.00 N ATOM 0 H ASN A 71 -2.639 15.795 -0.924 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.437 18.246 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.973 15.862 1.002 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.304 17.312 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.352 16.478 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.547 16.141 0.781 1.00 0.00 H new ATOM 1039 N CYS A 72 -0.147 18.036 -0.295 1.00 0.00 N ATOM 1040 CA CYS A 72 1.061 18.802 -0.552 1.00 0.00 C ATOM 1041 C CYS A 72 1.039 19.257 -2.013 1.00 0.00 C ATOM 1042 O CYS A 72 0.263 18.741 -2.816 1.00 0.00 O ATOM 1043 CB CYS A 72 2.321 17.999 -0.223 1.00 0.00 C ATOM 1044 SG CYS A 72 2.412 17.386 1.499 1.00 0.00 S ATOM 0 H CYS A 72 0.007 17.045 -0.110 1.00 0.00 H new ATOM 0 HA CYS A 72 1.086 19.676 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.379 17.147 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.194 18.622 -0.419 1.00 0.00 H new ATOM 1049 N ALA A 73 1.901 20.218 -2.313 1.00 0.00 N ATOM 1050 CA ALA A 73 1.990 20.748 -3.663 1.00 0.00 C ATOM 1051 C ALA A 73 3.193 21.688 -3.758 1.00 0.00 C ATOM 1052 O ALA A 73 4.093 21.470 -4.568 1.00 0.00 O ATOM 1053 CB ALA A 73 0.677 21.443 -4.027 1.00 0.00 C ATOM 0 H ALA A 73 2.544 20.643 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 73 2.142 19.943 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.744 21.840 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.142 20.726 -3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.491 22.259 -3.329 1.00 0.00 H new ATOM 1059 N SER A 74 3.170 22.713 -2.920 1.00 0.00 N ATOM 1060 CA SER A 74 4.248 23.688 -2.900 1.00 0.00 C ATOM 1061 C SER A 74 5.440 23.133 -2.116 1.00 0.00 C ATOM 1062 O SER A 74 6.590 23.420 -2.444 1.00 0.00 O ATOM 1063 CB SER A 74 3.783 25.012 -2.291 1.00 0.00 C ATOM 1064 OG SER A 74 3.553 26.005 -3.286 1.00 0.00 O ATOM 0 H SER A 74 2.422 22.890 -2.249 1.00 0.00 H new ATOM 0 HA SER A 74 4.554 23.880 -3.928 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.867 24.848 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.534 25.371 -1.587 1.00 0.00 H new ATOM 0 HG SER A 74 3.256 26.835 -2.858 1.00 0.00 H new ATOM 1070 N GLU A 75 5.124 22.350 -1.096 1.00 0.00 N ATOM 1071 CA GLU A 75 6.154 21.753 -0.263 1.00 0.00 C ATOM 1072 C GLU A 75 6.919 20.685 -1.048 1.00 0.00 C ATOM 1073 O GLU A 75 7.985 20.242 -0.624 1.00 0.00 O ATOM 1074 CB GLU A 75 5.554 21.167 1.017 1.00 0.00 C ATOM 1075 CG GLU A 75 5.314 22.260 2.060 1.00 0.00 C ATOM 1076 CD GLU A 75 4.131 23.146 1.665 1.00 0.00 C ATOM 1077 OE1 GLU A 75 3.001 22.613 1.656 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.384 24.337 1.380 1.00 0.00 O ATOM 0 H GLU A 75 4.169 22.115 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 75 6.855 22.535 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.613 20.667 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.225 20.411 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.123 21.804 3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.211 22.871 2.165 1.00 0.00 H new ATOM 1085 N CYS A 76 6.344 20.303 -2.179 1.00 0.00 N ATOM 1086 CA CYS A 76 6.958 19.296 -3.028 1.00 0.00 C ATOM 1087 C CYS A 76 6.694 19.672 -4.487 1.00 0.00 C ATOM 1088 O CYS A 76 5.611 19.418 -5.011 1.00 0.00 O ATOM 1089 CB CYS A 76 6.449 17.892 -2.699 1.00 0.00 C ATOM 1090 SG CYS A 76 5.961 17.642 -0.953 1.00 0.00 S ATOM 0 H CYS A 76 5.459 20.673 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 76 8.033 19.272 -2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.592 17.673 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.226 17.171 -2.951 1.00 0.00 H new ATOM 1095 N PRO A 77 7.730 20.286 -5.119 1.00 0.00 N ATOM 1096 CA PRO A 77 7.621 20.699 -6.508 1.00 0.00 C ATOM 1097 C PRO A 77 7.717 19.495 -7.447 1.00 0.00 C ATOM 1098 O PRO A 77 6.730 19.111 -8.073 1.00 0.00 O ATOM 1099 CB PRO A 77 8.746 21.701 -6.710 1.00 0.00 C ATOM 1100 CG PRO A 77 9.724 21.465 -5.571 1.00 0.00 C ATOM 1101 CD PRO A 77 9.028 20.602 -4.531 1.00 0.00 C ATOM 0 HA PRO A 77 6.656 21.152 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.229 21.556 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.367 22.723 -6.694 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.624 20.971 -5.937 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.036 22.413 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.598 19.697 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.916 21.134 -3.586 1.00 0.00 H new ATOM 1109 N LYS A 78 8.915 18.933 -7.517 1.00 0.00 N ATOM 1110 CA LYS A 78 9.152 17.780 -8.369 1.00 0.00 C ATOM 1111 C LYS A 78 10.381 17.022 -7.864 1.00 0.00 C ATOM 1112 O LYS A 78 10.297 15.838 -7.544 1.00 0.00 O ATOM 1113 CB LYS A 78 9.253 18.209 -9.834 1.00 0.00 C ATOM 1114 CG LYS A 78 9.689 17.040 -10.719 1.00 0.00 C ATOM 1115 CD LYS A 78 8.576 15.997 -10.837 1.00 0.00 C ATOM 1116 CE LYS A 78 8.975 14.875 -11.798 1.00 0.00 C ATOM 1117 NZ LYS A 78 8.062 13.719 -11.654 1.00 0.00 N ATOM 0 H LYS A 78 9.732 19.255 -6.998 1.00 0.00 H new ATOM 0 HA LYS A 78 8.310 17.090 -8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.288 18.587 -10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.967 19.027 -9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.954 17.408 -11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.583 16.577 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.359 15.579 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.661 16.474 -11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.949 15.241 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.000 14.563 -11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.347 12.967 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.107 13.360 -10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.089 14.016 -11.868 1.00 0.00 H new ATOM 1131 N HIS A 79 11.496 17.737 -7.808 1.00 0.00 N ATOM 1132 CA HIS A 79 12.741 17.147 -7.347 1.00 0.00 C ATOM 1133 C HIS A 79 12.689 16.957 -5.830 1.00 0.00 C ATOM 1134 O HIS A 79 11.677 17.259 -5.197 1.00 0.00 O ATOM 1135 CB HIS A 79 13.939 17.984 -7.799 1.00 0.00 C ATOM 1136 CG HIS A 79 15.148 17.167 -8.187 1.00 0.00 C ATOM 1137 ND1 HIS A 79 16.436 17.510 -7.813 1.00 0.00 N ATOM 1138 CD2 HIS A 79 15.252 16.019 -8.917 1.00 0.00 C ATOM 1139 CE1 HIS A 79 17.269 16.603 -8.303 1.00 0.00 C ATOM 1140 NE2 HIS A 79 16.533 15.681 -8.987 1.00 0.00 N ATOM 0 H HIS A 79 11.563 18.719 -8.074 1.00 0.00 H new ATOM 0 HA HIS A 79 12.869 16.162 -7.797 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.640 18.598 -8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.217 18.666 -6.995 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.431 15.477 -9.362 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.342 16.595 -8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.906 14.865 -9.473 1.00 0.00 H new ATOM 1148 N GLU A 80 13.791 16.459 -5.289 1.00 0.00 N ATOM 1149 CA GLU A 80 13.883 16.226 -3.858 1.00 0.00 C ATOM 1150 C GLU A 80 12.955 15.082 -3.446 1.00 0.00 C ATOM 1151 O GLU A 80 13.407 14.077 -2.898 1.00 0.00 O ATOM 1152 CB GLU A 80 13.565 17.500 -3.073 1.00 0.00 C ATOM 1153 CG GLU A 80 14.620 18.579 -3.327 1.00 0.00 C ATOM 1154 CD GLU A 80 15.712 18.541 -2.256 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.501 19.190 -1.209 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.732 17.864 -2.508 1.00 0.00 O ATOM 0 H GLU A 80 14.628 16.210 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 80 14.908 15.940 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.582 17.873 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.521 17.273 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.065 18.433 -4.311 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.147 19.561 -3.334 1.00 0.00 H new ATOM 1163 N HIS A 81 11.674 15.272 -3.724 1.00 0.00 N ATOM 1164 CA HIS A 81 10.678 14.269 -3.389 1.00 0.00 C ATOM 1165 C HIS A 81 10.441 14.265 -1.877 1.00 0.00 C ATOM 1166 O HIS A 81 9.322 14.490 -1.420 1.00 0.00 O ATOM 1167 CB HIS A 81 11.086 12.896 -3.928 1.00 0.00 C ATOM 1168 CG HIS A 81 11.465 12.899 -5.390 1.00 0.00 C ATOM 1169 ND1 HIS A 81 10.704 12.274 -6.362 1.00 0.00 N ATOM 1170 CD2 HIS A 81 12.530 13.457 -6.034 1.00 0.00 C ATOM 1171 CE1 HIS A 81 11.295 12.453 -7.535 1.00 0.00 C ATOM 1172 NE2 HIS A 81 12.427 13.186 -7.329 1.00 0.00 N ATOM 0 H HIS A 81 11.303 16.107 -4.178 1.00 0.00 H new ATOM 0 HA HIS A 81 9.732 14.517 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.929 12.524 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 81 10.262 12.198 -3.778 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.323 14.024 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.942 12.083 -8.487 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.086 13.478 -8.051 1.00 0.00 H new ATOM 1180 N LYS A 82 11.514 14.008 -1.143 1.00 0.00 N ATOM 1181 CA LYS A 82 11.437 13.972 0.307 1.00 0.00 C ATOM 1182 C LYS A 82 12.177 15.181 0.883 1.00 0.00 C ATOM 1183 O LYS A 82 13.059 15.030 1.727 1.00 0.00 O ATOM 1184 CB LYS A 82 11.946 12.630 0.838 1.00 0.00 C ATOM 1185 CG LYS A 82 13.436 12.451 0.539 1.00 0.00 C ATOM 1186 CD LYS A 82 13.729 11.036 0.039 1.00 0.00 C ATOM 1187 CE LYS A 82 14.764 10.344 0.928 1.00 0.00 C ATOM 1188 NZ LYS A 82 16.096 10.966 0.755 1.00 0.00 N ATOM 0 H LYS A 82 12.441 13.823 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 82 10.400 14.046 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.778 12.573 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.380 11.817 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.750 13.178 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.018 12.650 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.808 10.453 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.095 11.077 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.458 10.411 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.816 9.284 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.786 10.484 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.393 10.880 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.046 11.972 1.016 1.00 0.00 H new ATOM 1202 N SER A 83 11.792 16.354 0.402 1.00 0.00 N ATOM 1203 CA SER A 83 12.408 17.589 0.858 1.00 0.00 C ATOM 1204 C SER A 83 12.034 17.851 2.319 1.00 0.00 C ATOM 1205 O SER A 83 11.052 17.306 2.820 1.00 0.00 O ATOM 1206 CB SER A 83 11.988 18.770 -0.018 1.00 0.00 C ATOM 1207 OG SER A 83 12.201 20.020 0.633 1.00 0.00 O ATOM 0 H SER A 83 11.061 16.476 -0.299 1.00 0.00 H new ATOM 0 HA SER A 83 13.490 17.481 0.780 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.550 18.747 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.934 18.672 -0.278 1.00 0.00 H new ATOM 0 HG SER A 83 11.922 20.749 0.041 1.00 0.00 H new ATOM 1213 N ASP A 84 12.837 18.687 2.960 1.00 0.00 N ATOM 1214 CA ASP A 84 12.603 19.029 4.353 1.00 0.00 C ATOM 1215 C ASP A 84 11.136 19.421 4.538 1.00 0.00 C ATOM 1216 O ASP A 84 10.420 18.806 5.328 1.00 0.00 O ATOM 1217 CB ASP A 84 13.467 20.217 4.781 1.00 0.00 C ATOM 1218 CG ASP A 84 13.203 20.731 6.198 1.00 0.00 C ATOM 1219 OD1 ASP A 84 12.063 21.185 6.434 1.00 0.00 O ATOM 1220 OD2 ASP A 84 14.148 20.659 7.013 1.00 0.00 O ATOM 0 H ASP A 84 13.650 19.138 2.541 1.00 0.00 H new ATOM 0 HA ASP A 84 12.857 18.160 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.516 19.931 4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.308 21.035 4.078 1.00 0.00 H new ATOM 1225 N THR A 85 10.731 20.441 3.797 1.00 0.00 N ATOM 1226 CA THR A 85 9.362 20.922 3.869 1.00 0.00 C ATOM 1227 C THR A 85 8.388 19.826 3.431 1.00 0.00 C ATOM 1228 O THR A 85 7.365 19.605 4.077 1.00 0.00 O ATOM 1229 CB THR A 85 9.262 22.195 3.027 1.00 0.00 C ATOM 1230 OG1 THR A 85 8.019 22.773 3.415 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.087 21.899 1.536 1.00 0.00 C ATOM 0 H THR A 85 11.327 20.948 3.143 1.00 0.00 H new ATOM 0 HA THR A 85 9.084 21.170 4.893 1.00 0.00 H new ATOM 0 HB THR A 85 10.158 22.798 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.941 23.670 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.021 22.837 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.941 21.325 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.174 21.324 1.384 1.00 0.00 H new ATOM 1239 N CYS A 86 8.740 19.169 2.335 1.00 0.00 N ATOM 1240 CA CYS A 86 7.910 18.102 1.803 1.00 0.00 C ATOM 1241 C CYS A 86 7.660 17.086 2.920 1.00 0.00 C ATOM 1242 O CYS A 86 6.529 16.925 3.376 1.00 0.00 O ATOM 1243 CB CYS A 86 8.545 17.452 0.572 1.00 0.00 C ATOM 1244 SG CYS A 86 7.453 16.298 -0.336 1.00 0.00 S ATOM 0 H CYS A 86 9.589 19.355 1.801 1.00 0.00 H new ATOM 0 HA CYS A 86 6.958 18.512 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.867 18.238 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.440 16.914 0.884 1.00 0.00 H new ATOM 1249 N ARG A 87 8.734 16.426 3.327 1.00 0.00 N ATOM 1250 CA ARG A 87 8.646 15.430 4.382 1.00 0.00 C ATOM 1251 C ARG A 87 7.806 15.962 5.545 1.00 0.00 C ATOM 1252 O ARG A 87 6.963 15.247 6.084 1.00 0.00 O ATOM 1253 CB ARG A 87 10.035 15.048 4.897 1.00 0.00 C ATOM 1254 CG ARG A 87 10.823 14.283 3.832 1.00 0.00 C ATOM 1255 CD ARG A 87 11.941 13.454 4.468 1.00 0.00 C ATOM 1256 NE ARG A 87 11.393 12.180 4.987 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.007 11.416 5.901 1.00 0.00 C ATOM 1258 NH1 ARG A 87 13.191 11.792 6.403 1.00 0.00 N ATOM 1259 NH2 ARG A 87 11.436 10.276 6.314 1.00 0.00 N ATOM 0 H ARG A 87 9.670 16.561 2.945 1.00 0.00 H new ATOM 0 HA ARG A 87 8.171 14.543 3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.581 15.947 5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.939 14.435 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.151 13.629 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.249 14.985 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.719 13.252 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.406 14.016 5.278 1.00 0.00 H new ATOM 0 HE ARG A 87 10.493 11.864 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.625 12.660 6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.658 11.210 7.099 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.534 9.990 5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.903 9.694 7.010 1.00 0.00 H new ATOM 1273 N ALA A 88 8.066 17.213 5.897 1.00 0.00 N ATOM 1274 CA ALA A 88 7.345 17.849 6.987 1.00 0.00 C ATOM 1275 C ALA A 88 5.857 17.918 6.636 1.00 0.00 C ATOM 1276 O ALA A 88 5.003 17.713 7.497 1.00 0.00 O ATOM 1277 CB ALA A 88 7.944 19.230 7.259 1.00 0.00 C ATOM 0 H ALA A 88 8.766 17.803 5.447 1.00 0.00 H new ATOM 0 HA ALA A 88 7.442 17.266 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.403 19.707 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.994 19.124 7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.862 19.845 6.363 1.00 0.00 H new ATOM 1283 N CYS A 89 5.593 18.206 5.370 1.00 0.00 N ATOM 1284 CA CYS A 89 4.223 18.305 4.895 1.00 0.00 C ATOM 1285 C CYS A 89 3.621 16.899 4.870 1.00 0.00 C ATOM 1286 O CYS A 89 2.592 16.649 5.497 1.00 0.00 O ATOM 1287 CB CYS A 89 4.147 18.982 3.525 1.00 0.00 C ATOM 1288 SG CYS A 89 2.496 18.936 2.737 1.00 0.00 S ATOM 0 H CYS A 89 6.304 18.374 4.659 1.00 0.00 H new ATOM 0 HA CYS A 89 3.645 18.935 5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.454 20.022 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.865 18.504 2.859 1.00 0.00 H new ATOM 1293 N MET A 90 4.288 16.017 4.140 1.00 0.00 N ATOM 1294 CA MET A 90 3.831 14.642 4.026 1.00 0.00 C ATOM 1295 C MET A 90 3.762 13.971 5.399 1.00 0.00 C ATOM 1296 O MET A 90 2.965 13.057 5.608 1.00 0.00 O ATOM 1297 CB MET A 90 4.787 13.860 3.123 1.00 0.00 C ATOM 1298 CG MET A 90 4.705 14.356 1.678 1.00 0.00 C ATOM 1299 SD MET A 90 5.714 13.329 0.622 1.00 0.00 S ATOM 1300 CE MET A 90 4.514 12.092 0.156 1.00 0.00 C ATOM 0 H MET A 90 5.141 16.228 3.622 1.00 0.00 H new ATOM 0 HA MET A 90 2.830 14.646 3.594 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.808 13.966 3.490 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.543 12.798 3.161 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.670 14.337 1.336 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.041 15.391 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.916 11.482 -0.653 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.294 11.457 1.014 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.599 12.581 -0.178 1.00 0.00 H new ATOM 1310 N LYS A 91 4.607 14.451 6.300 1.00 0.00 N ATOM 1311 CA LYS A 91 4.651 13.909 7.647 1.00 0.00 C ATOM 1312 C LYS A 91 3.233 13.857 8.219 1.00 0.00 C ATOM 1313 O LYS A 91 2.818 12.837 8.768 1.00 0.00 O ATOM 1314 CB LYS A 91 5.634 14.702 8.512 1.00 0.00 C ATOM 1315 CG LYS A 91 5.543 14.274 9.978 1.00 0.00 C ATOM 1316 CD LYS A 91 6.796 13.505 10.403 1.00 0.00 C ATOM 1317 CE LYS A 91 6.644 12.010 10.119 1.00 0.00 C ATOM 1318 NZ LYS A 91 7.115 11.213 11.274 1.00 0.00 N ATOM 0 H LYS A 91 5.266 15.209 6.123 1.00 0.00 H new ATOM 0 HA LYS A 91 5.027 12.886 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.650 14.549 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.421 15.768 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.419 15.153 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.662 13.650 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.664 13.894 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.979 13.660 11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.600 11.778 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.214 11.743 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.005 10.200 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.118 11.422 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.554 11.456 12.115 1.00 0.00 H new ATOM 1332 N THR A 92 2.528 14.969 8.070 1.00 0.00 N ATOM 1333 CA THR A 92 1.165 15.062 8.564 1.00 0.00 C ATOM 1334 C THR A 92 0.168 14.872 7.419 1.00 0.00 C ATOM 1335 O THR A 92 -0.663 13.966 7.460 1.00 0.00 O ATOM 1336 CB THR A 92 1.014 16.404 9.284 1.00 0.00 C ATOM 1337 OG1 THR A 92 1.587 16.175 10.569 1.00 0.00 O ATOM 1338 CG2 THR A 92 -0.447 16.748 9.583 1.00 0.00 C ATOM 0 H THR A 92 2.875 15.813 7.614 1.00 0.00 H new ATOM 0 HA THR A 92 0.948 14.267 9.277 1.00 0.00 H new ATOM 0 HB THR A 92 1.455 17.194 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.533 16.995 11.102 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.497 17.709 10.094 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.006 16.804 8.649 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.880 15.976 10.219 1.00 0.00 H new ATOM 1346 N ASN A 93 0.284 15.740 6.425 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.596 15.678 5.271 1.00 0.00 C ATOM 1348 C ASN A 93 -0.727 14.225 4.811 1.00 0.00 C ATOM 1349 O ASN A 93 -1.834 13.702 4.700 1.00 0.00 O ATOM 1350 CB ASN A 93 -0.034 16.495 4.105 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.252 17.992 4.330 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -1.225 18.578 3.884 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.706 18.577 5.043 1.00 0.00 N ATOM 0 H ASN A 93 0.974 16.490 6.395 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.564 16.085 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.031 16.292 3.994 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.516 16.189 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.653 19.575 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.494 18.028 5.386 1.00 0.00 H new ATOM 1360 N CYS A 94 0.421 13.613 4.557 1.00 0.00 N ATOM 1361 CA CYS A 94 0.449 12.231 4.111 1.00 0.00 C ATOM 1362 C CYS A 94 0.682 11.338 5.332 1.00 0.00 C ATOM 1363 O CYS A 94 1.799 10.878 5.564 1.00 0.00 O ATOM 1364 CB CYS A 94 1.507 12.006 3.029 1.00 0.00 C ATOM 1365 SG CYS A 94 1.339 13.080 1.557 1.00 0.00 S ATOM 0 H CYS A 94 1.338 14.049 4.652 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.505 11.975 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.493 12.164 3.466 1.00 0.00 H new ATOM 0 HB3 CYS A 94 1.463 10.965 2.709 1.00 0.00 H new ATOM 1370 N LYS A 95 -0.390 11.119 6.078 1.00 0.00 N ATOM 1371 CA LYS A 95 -0.317 10.289 7.269 1.00 0.00 C ATOM 1372 C LYS A 95 0.550 9.063 6.978 1.00 0.00 C ATOM 1373 O LYS A 95 0.608 8.134 7.782 1.00 0.00 O ATOM 1374 CB LYS A 95 -1.721 9.945 7.770 1.00 0.00 C ATOM 1375 CG LYS A 95 -2.010 10.630 9.106 1.00 0.00 C ATOM 1376 CD LYS A 95 -2.117 9.605 10.237 1.00 0.00 C ATOM 1377 CE LYS A 95 -3.576 9.234 10.505 1.00 0.00 C ATOM 1378 NZ LYS A 95 -3.860 9.263 11.958 1.00 0.00 N ATOM 0 H LYS A 95 -1.315 11.502 5.881 1.00 0.00 H new ATOM 0 HA LYS A 95 0.162 10.833 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.460 10.254 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.816 8.865 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.218 11.344 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.939 11.196 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.553 8.710 9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.669 10.011 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.235 9.929 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.784 8.240 10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.855 9.009 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.243 8.582 12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.681 10.219 12.328 1.00 0.00 H new TER 1392 LYS A 95