USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 660 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 79 HIS : no HD1:sc= 0.238 K(o=0.56,f=-2.7) USER MOD Set 1.2: A 84 SER OG : rot -122:sc= 0.323 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= 0.488 USER MOD Set 2.2: A 29 SER OG : rot -157:sc= -2.68! USER MOD Single : A 12 GLN : amide:sc= -0.0719 X(o=-0.072,f=-0.52) USER MOD Single : A 15 GLN : amide:sc= -0.0249 K(o=-0.025,f=-0.77) USER MOD Single : A 17 SER OG : rot -30:sc= 1.13 USER MOD Single : A 20 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 CYS SG : rot 58:sc= -0.72! USER MOD Single : A 32 SER OG : rot -5:sc= 0.883 USER MOD Single : A 34 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.73) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 48 ASN : amide:sc= -0.0622 K(o=-0.062,f=-1.9!) USER MOD Single : A 50 MET CE :methyl -136:sc= -0.0677 (180deg=-0.717) USER MOD Single : A 51 ASN : amide:sc= -0.393 K(o=-0.39,f=-1.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 THR OG1 : rot 6:sc= -1.35! USER MOD Single : A 61 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-1.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -4.29! C(o=-4.3!,f=-6.8!) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0476 (180deg=-0.555) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 34:sc= -1.38 USER MOD Single : A 82 THR OG1 : rot 120:sc= -0.155 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.282 USER MOD Single : A 85 SER OG : rot -155:sc= 1.15 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 58.519 -11.131 14.084 1.00 0.00 N ATOM 45 CA GLU A 4 59.828 -11.294 13.455 1.00 0.00 C ATOM 46 C GLU A 4 60.203 -10.018 12.708 1.00 0.00 C ATOM 47 O GLU A 4 59.344 -9.182 12.426 1.00 0.00 O ATOM 48 CB GLU A 4 59.795 -12.487 12.477 1.00 0.00 C ATOM 49 CG GLU A 4 61.222 -12.926 12.105 1.00 0.00 C ATOM 50 CD GLU A 4 61.912 -13.544 13.317 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.240 -13.760 14.312 1.00 0.00 O ATOM 52 OE2 GLU A 4 63.106 -13.788 13.236 1.00 0.00 O1- ATOM 0 HA GLU A 4 60.574 -11.488 14.225 1.00 0.00 H new ATOM 0 HB2 GLU A 4 59.260 -13.321 12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.248 -12.210 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.188 -13.648 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.794 -12.069 11.749 1.00 0.00 H new ATOM 59 N VAL A 5 61.482 -9.874 12.395 1.00 0.00 N ATOM 60 CA VAL A 5 61.958 -8.701 11.682 1.00 0.00 C ATOM 61 C VAL A 5 61.119 -8.506 10.424 1.00 0.00 C ATOM 62 O VAL A 5 60.794 -9.476 9.738 1.00 0.00 O ATOM 63 CB VAL A 5 63.456 -8.888 11.334 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.143 -9.705 12.443 1.00 0.00 C ATOM 65 CG2 VAL A 5 63.629 -9.638 9.995 1.00 0.00 C ATOM 0 H VAL A 5 62.207 -10.554 12.624 1.00 0.00 H new ATOM 0 HA VAL A 5 61.859 -7.811 12.304 1.00 0.00 H new ATOM 0 HB VAL A 5 63.907 -7.899 11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.197 -9.837 12.198 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.054 -9.177 13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.665 -10.681 12.525 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.691 -9.754 9.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.163 -10.621 10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.155 -9.069 9.195 1.00 0.00 H new ATOM 75 N THR A 6 60.747 -7.258 10.127 1.00 0.00 N ATOM 76 CA THR A 6 59.912 -7.000 8.942 1.00 0.00 C ATOM 77 C THR A 6 60.766 -6.602 7.747 1.00 0.00 C ATOM 78 O THR A 6 61.529 -5.639 7.811 1.00 0.00 O ATOM 79 CB THR A 6 58.904 -5.890 9.240 1.00 0.00 C ATOM 80 OG1 THR A 6 58.160 -6.223 10.402 1.00 0.00 O ATOM 81 CG2 THR A 6 57.951 -5.735 8.062 1.00 0.00 C ATOM 0 H THR A 6 60.999 -6.431 10.669 1.00 0.00 H new ATOM 0 HA THR A 6 59.381 -7.920 8.699 1.00 0.00 H new ATOM 0 HB THR A 6 59.438 -4.954 9.403 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.515 -5.510 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.233 -4.943 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.518 -5.478 7.167 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.419 -6.672 7.898 1.00 0.00 H new ATOM 89 N ILE A 7 60.628 -7.351 6.650 1.00 0.00 N ATOM 90 CA ILE A 7 61.387 -7.067 5.433 1.00 0.00 C ATOM 91 C ILE A 7 60.472 -6.534 4.338 1.00 0.00 C ATOM 92 O ILE A 7 59.968 -7.292 3.510 1.00 0.00 O ATOM 93 CB ILE A 7 62.059 -8.336 4.921 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.879 -8.995 6.042 1.00 0.00 C ATOM 95 CG2 ILE A 7 62.976 -7.998 3.737 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.863 -7.987 6.655 1.00 0.00 C ATOM 0 H ILE A 7 60.002 -8.153 6.581 1.00 0.00 H new ATOM 0 HA ILE A 7 62.139 -6.317 5.679 1.00 0.00 H new ATOM 0 HB ILE A 7 61.288 -9.033 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.210 -9.375 6.814 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.426 -9.850 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 7 63.454 -8.909 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.386 -7.554 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.740 -7.291 4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.434 -8.472 7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.544 -7.628 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.310 -7.145 7.071 1.00 0.00 H new ATOM 108 N LEU A 8 60.302 -5.222 4.319 1.00 0.00 N ATOM 109 CA LEU A 8 59.490 -4.554 3.298 1.00 0.00 C ATOM 110 C LEU A 8 60.410 -3.719 2.437 1.00 0.00 C ATOM 111 O LEU A 8 60.994 -2.742 2.904 1.00 0.00 O ATOM 112 CB LEU A 8 58.435 -3.653 3.943 1.00 0.00 C ATOM 113 CG LEU A 8 57.296 -4.501 4.528 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.443 -3.617 5.444 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.413 -5.080 3.401 1.00 0.00 C ATOM 0 H LEU A 8 60.717 -4.588 5.002 1.00 0.00 H new ATOM 0 HA LEU A 8 58.973 -5.303 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.892 -3.052 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.038 -2.959 3.202 1.00 0.00 H new ATOM 0 HG LEU A 8 57.722 -5.331 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.630 -4.208 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.062 -3.224 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.029 -2.789 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.612 -5.677 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.982 -4.264 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.020 -5.708 2.749 1.00 0.00 H new ATOM 127 N GLU A 9 60.557 -4.126 1.185 1.00 0.00 N ATOM 128 CA GLU A 9 61.440 -3.436 0.256 1.00 0.00 C ATOM 129 C GLU A 9 60.695 -2.992 -1.003 1.00 0.00 C ATOM 130 O GLU A 9 60.616 -3.742 -1.976 1.00 0.00 O ATOM 131 CB GLU A 9 62.585 -4.383 -0.131 1.00 0.00 C ATOM 132 CG GLU A 9 62.028 -5.700 -0.729 1.00 0.00 C ATOM 133 CD GLU A 9 62.917 -6.886 -0.358 1.00 0.00 C ATOM 134 OE1 GLU A 9 62.373 -7.938 -0.065 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.125 -6.725 -0.380 1.00 0.00 O1- ATOM 0 H GLU A 9 60.075 -4.933 0.788 1.00 0.00 H new ATOM 0 HA GLU A 9 61.829 -2.542 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.237 -3.896 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.193 -4.605 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 9 61.016 -5.871 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 9 61.964 -5.613 -1.814 1.00 0.00 H new ATOM 142 N PRO A 10 60.180 -1.784 -1.036 1.00 0.00 N ATOM 143 CA PRO A 10 59.482 -1.278 -2.242 1.00 0.00 C ATOM 144 C PRO A 10 60.497 -1.065 -3.361 1.00 0.00 C ATOM 145 O PRO A 10 60.145 -0.846 -4.522 1.00 0.00 O ATOM 146 CB PRO A 10 58.808 0.043 -1.800 1.00 0.00 C ATOM 147 CG PRO A 10 59.137 0.238 -0.337 1.00 0.00 C ATOM 148 CD PRO A 10 60.207 -0.795 0.050 1.00 0.00 C ATOM 0 HA PRO A 10 58.737 -1.972 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.175 0.881 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.729 -0.005 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.502 1.250 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.244 0.110 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.190 -0.332 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.983 -1.256 1.012 1.00 0.00 H new ATOM 156 N LEU A 11 61.766 -1.138 -2.975 1.00 0.00 N ATOM 157 CA LEU A 11 62.876 -0.965 -3.902 1.00 0.00 C ATOM 158 C LEU A 11 62.939 -2.132 -4.889 1.00 0.00 C ATOM 159 O LEU A 11 63.770 -3.032 -4.755 1.00 0.00 O ATOM 160 CB LEU A 11 64.178 -0.908 -3.102 1.00 0.00 C ATOM 161 CG LEU A 11 64.103 0.214 -2.057 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.332 0.137 -1.147 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.063 1.585 -2.751 1.00 0.00 C ATOM 0 H LEU A 11 62.053 -1.318 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 11 62.733 -0.042 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.354 -1.864 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.020 -0.736 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 11 63.195 0.092 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.284 0.932 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.353 -0.830 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.236 0.254 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.010 2.372 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.964 1.716 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.187 1.640 -3.397 1.00 0.00 H new ATOM 175 N GLN A 12 62.055 -2.107 -5.879 1.00 0.00 N ATOM 176 CA GLN A 12 62.007 -3.157 -6.887 1.00 0.00 C ATOM 177 C GLN A 12 63.218 -3.077 -7.807 1.00 0.00 C ATOM 178 O GLN A 12 63.803 -4.099 -8.166 1.00 0.00 O ATOM 179 CB GLN A 12 60.710 -3.010 -7.697 1.00 0.00 C ATOM 180 CG GLN A 12 60.682 -3.998 -8.869 1.00 0.00 C ATOM 181 CD GLN A 12 60.878 -5.424 -8.365 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.335 -5.800 -7.327 1.00 0.00 O ATOM 183 NE2 GLN A 12 61.627 -6.242 -9.045 1.00 0.00 N ATOM 0 H GLN A 12 61.361 -1.370 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 12 62.025 -4.130 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 12 59.851 -3.183 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 12 60.625 -1.991 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 12 59.732 -3.919 -9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 61.466 -3.747 -9.584 1.00 0.00 H new ATOM 0 HE21 GLN A 12 62.076 -5.927 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 12 61.765 -7.198 -8.718 1.00 0.00 H new ATOM 192 N ASP A 13 63.586 -1.855 -8.179 1.00 0.00 N ATOM 193 CA ASP A 13 64.724 -1.636 -9.066 1.00 0.00 C ATOM 194 C ASP A 13 64.965 -0.140 -9.247 1.00 0.00 C ATOM 195 O ASP A 13 64.024 0.653 -9.259 1.00 0.00 O ATOM 196 CB ASP A 13 64.453 -2.278 -10.432 1.00 0.00 C ATOM 197 CG ASP A 13 65.714 -2.244 -11.287 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.610 -2.523 -12.471 1.00 0.00 O ATOM 199 OD2 ASP A 13 66.765 -1.947 -10.746 1.00 0.00 O1- ATOM 0 H ASP A 13 63.113 -1.002 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 13 65.609 -2.092 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.122 -3.308 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.647 -1.747 -10.938 1.00 0.00 H new ATOM 204 N VAL A 14 66.234 0.244 -9.379 1.00 0.00 N ATOM 205 CA VAL A 14 66.593 1.657 -9.555 1.00 0.00 C ATOM 206 C VAL A 14 67.359 1.851 -10.864 1.00 0.00 C ATOM 207 O VAL A 14 68.267 1.082 -11.183 1.00 0.00 O ATOM 208 CB VAL A 14 67.458 2.126 -8.376 1.00 0.00 C ATOM 209 CG1 VAL A 14 68.002 3.531 -8.657 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.622 2.146 -7.087 1.00 0.00 C ATOM 0 H VAL A 14 67.028 -0.396 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 14 65.678 2.248 -9.590 1.00 0.00 H new ATOM 0 HB VAL A 14 68.291 1.435 -8.252 1.00 0.00 H new ATOM 0 HG11 VAL A 14 68.615 3.859 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 14 68.608 3.512 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 14 67.171 4.223 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.243 2.480 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 65.781 2.829 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 14 66.248 1.143 -6.881 1.00 0.00 H new ATOM 220 N GLN A 15 66.981 2.886 -11.614 1.00 0.00 N ATOM 221 CA GLN A 15 67.629 3.188 -12.891 1.00 0.00 C ATOM 222 C GLN A 15 67.734 4.702 -13.086 1.00 0.00 C ATOM 223 O GLN A 15 66.745 5.427 -12.960 1.00 0.00 O ATOM 224 CB GLN A 15 66.828 2.553 -14.033 1.00 0.00 C ATOM 225 CG GLN A 15 65.449 3.209 -14.133 1.00 0.00 C ATOM 226 CD GLN A 15 64.562 2.404 -15.076 1.00 0.00 C ATOM 227 OE1 GLN A 15 64.552 1.174 -15.023 1.00 0.00 O ATOM 228 NE2 GLN A 15 63.819 3.029 -15.947 1.00 0.00 N ATOM 0 H GLN A 15 66.231 3.529 -11.360 1.00 0.00 H new ATOM 0 HA GLN A 15 68.637 2.773 -12.891 1.00 0.00 H new ATOM 0 HB2 GLN A 15 67.365 2.671 -14.974 1.00 0.00 H new ATOM 0 HB3 GLN A 15 66.719 1.482 -13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 15 64.990 3.265 -13.146 1.00 0.00 H new ATOM 0 HG3 GLN A 15 65.548 4.232 -14.496 1.00 0.00 H new ATOM 0 HE21 GLN A 15 63.829 4.048 -15.988 1.00 0.00 H new ATOM 0 HE22 GLN A 15 63.227 2.499 -16.587 1.00 0.00 H new ATOM 237 N LEU A 16 68.945 5.175 -13.368 1.00 0.00 N ATOM 238 CA LEU A 16 69.172 6.605 -13.558 1.00 0.00 C ATOM 239 C LEU A 16 70.499 6.855 -14.273 1.00 0.00 C ATOM 240 O LEU A 16 71.474 6.135 -14.055 1.00 0.00 O ATOM 241 CB LEU A 16 69.156 7.314 -12.195 1.00 0.00 C ATOM 242 CG LEU A 16 70.214 6.688 -11.242 1.00 0.00 C ATOM 243 CD1 LEU A 16 71.488 7.544 -11.222 1.00 0.00 C ATOM 244 CD2 LEU A 16 69.660 6.605 -9.815 1.00 0.00 C ATOM 0 H LEU A 16 69.778 4.595 -13.469 1.00 0.00 H new ATOM 0 HA LEU A 16 68.374 7.007 -14.182 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.362 8.376 -12.329 1.00 0.00 H new ATOM 0 HB3 LEU A 16 68.165 7.235 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 16 70.448 5.688 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 16 72.219 7.093 -10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.905 7.600 -12.228 1.00 0.00 H new ATOM 0 HD13 LEU A 16 71.246 8.548 -10.873 1.00 0.00 H new ATOM 0 HD21 LEU A 16 70.411 6.165 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 16 69.411 7.606 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.764 5.985 -9.808 1.00 0.00 H new ATOM 256 N SER A 17 70.530 7.875 -15.126 1.00 0.00 N ATOM 257 CA SER A 17 71.749 8.201 -15.861 1.00 0.00 C ATOM 258 C SER A 17 72.840 8.642 -14.889 1.00 0.00 C ATOM 259 O SER A 17 72.556 9.245 -13.856 1.00 0.00 O ATOM 260 CB SER A 17 71.472 9.313 -16.871 1.00 0.00 C ATOM 261 OG SER A 17 70.321 8.975 -17.634 1.00 0.00 O ATOM 0 H SER A 17 69.736 8.484 -15.324 1.00 0.00 H new ATOM 0 HA SER A 17 72.086 7.313 -16.397 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.315 10.260 -16.354 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.332 9.447 -17.527 1.00 0.00 H new ATOM 0 HG SER A 17 70.257 8.000 -17.715 1.00 0.00 H new ATOM 267 N GLU A 18 74.086 8.314 -15.214 1.00 0.00 N ATOM 268 CA GLU A 18 75.204 8.661 -14.344 1.00 0.00 C ATOM 269 C GLU A 18 75.392 10.163 -14.222 1.00 0.00 C ATOM 270 O GLU A 18 75.132 10.929 -15.148 1.00 0.00 O ATOM 271 CB GLU A 18 76.504 7.991 -14.849 1.00 0.00 C ATOM 272 CG GLU A 18 76.792 6.735 -14.025 1.00 0.00 C ATOM 273 CD GLU A 18 77.801 5.851 -14.748 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.302 6.279 -15.774 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.050 4.757 -14.272 1.00 0.00 O1- ATOM 0 H GLU A 18 74.346 7.814 -16.064 1.00 0.00 H new ATOM 0 HA GLU A 18 74.971 8.285 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.405 7.731 -15.903 1.00 0.00 H new ATOM 0 HB3 GLU A 18 77.338 8.688 -14.770 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.179 7.015 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 18 75.868 6.182 -13.857 1.00 0.00 H new ATOM 282 N GLY A 19 75.860 10.552 -13.044 1.00 0.00 N ATOM 283 CA GLY A 19 76.115 11.946 -12.733 1.00 0.00 C ATOM 284 C GLY A 19 74.897 12.574 -12.072 1.00 0.00 C ATOM 285 O GLY A 19 74.955 13.700 -11.579 1.00 0.00 O ATOM 0 H GLY A 19 76.072 9.910 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.977 12.026 -12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 19 76.362 12.489 -13.645 1.00 0.00 H new ATOM 289 N GLN A 20 73.798 11.822 -12.053 1.00 0.00 N ATOM 290 CA GLN A 20 72.553 12.286 -11.436 1.00 0.00 C ATOM 291 C GLN A 20 72.491 11.817 -9.987 1.00 0.00 C ATOM 292 O GLN A 20 73.205 10.891 -9.598 1.00 0.00 O ATOM 293 CB GLN A 20 71.350 11.726 -12.199 1.00 0.00 C ATOM 294 CG GLN A 20 71.249 12.383 -13.576 1.00 0.00 C ATOM 295 CD GLN A 20 70.074 11.781 -14.345 1.00 0.00 C ATOM 296 OE1 GLN A 20 69.311 10.991 -13.787 1.00 0.00 O ATOM 297 NE2 GLN A 20 69.882 12.105 -15.595 1.00 0.00 N ATOM 0 H GLN A 20 73.743 10.887 -12.458 1.00 0.00 H new ATOM 0 HA GLN A 20 72.527 13.375 -11.470 1.00 0.00 H new ATOM 0 HB2 GLN A 20 71.450 10.646 -12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 20 70.435 11.905 -11.634 1.00 0.00 H new ATOM 0 HG2 GLN A 20 71.113 13.459 -13.468 1.00 0.00 H new ATOM 0 HG3 GLN A 20 72.175 12.233 -14.131 1.00 0.00 H new ATOM 0 HE21 GLN A 20 70.515 12.759 -16.055 1.00 0.00 H new ATOM 0 HE22 GLN A 20 69.099 11.704 -16.111 1.00 0.00 H new ATOM 306 N ASP A 21 71.638 12.452 -9.189 1.00 0.00 N ATOM 307 CA ASP A 21 71.504 12.074 -7.787 1.00 0.00 C ATOM 308 C ASP A 21 70.693 10.788 -7.653 1.00 0.00 C ATOM 309 O ASP A 21 69.977 10.392 -8.574 1.00 0.00 O ATOM 310 CB ASP A 21 70.832 13.203 -7.001 1.00 0.00 C ATOM 311 CG ASP A 21 71.790 14.387 -6.870 1.00 0.00 C ATOM 312 OD1 ASP A 21 71.315 15.487 -6.641 1.00 0.00 O ATOM 313 OD2 ASP A 21 72.986 14.172 -6.989 1.00 0.00 O1- ATOM 0 H ASP A 21 71.036 13.221 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 21 72.499 11.899 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.919 13.517 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.542 12.847 -6.012 1.00 0.00 H new ATOM 318 N ALA A 22 70.821 10.136 -6.501 1.00 0.00 N ATOM 319 CA ALA A 22 70.111 8.886 -6.240 1.00 0.00 C ATOM 320 C ALA A 22 69.803 8.750 -4.750 1.00 0.00 C ATOM 321 O ALA A 22 70.465 9.356 -3.913 1.00 0.00 O ATOM 322 CB ALA A 22 70.963 7.699 -6.689 1.00 0.00 C ATOM 0 H ALA A 22 71.411 10.453 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 22 69.175 8.897 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.427 6.771 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.166 7.780 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.904 7.698 -6.140 1.00 0.00 H new ATOM 328 N SER A 23 68.790 7.952 -4.430 1.00 0.00 N ATOM 329 CA SER A 23 68.405 7.747 -3.037 1.00 0.00 C ATOM 330 C SER A 23 67.584 6.476 -2.881 1.00 0.00 C ATOM 331 O SER A 23 67.046 5.949 -3.856 1.00 0.00 O ATOM 332 CB SER A 23 67.591 8.941 -2.546 1.00 0.00 C ATOM 333 OG SER A 23 66.496 9.149 -3.426 1.00 0.00 O ATOM 0 H SER A 23 68.225 7.441 -5.108 1.00 0.00 H new ATOM 0 HA SER A 23 69.313 7.649 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.231 8.760 -1.533 1.00 0.00 H new ATOM 0 HB3 SER A 23 68.217 9.833 -2.507 1.00 0.00 H new ATOM 0 HG SER A 23 65.968 9.914 -3.116 1.00 0.00 H new ATOM 339 N PHE A 24 67.481 5.990 -1.644 1.00 0.00 N ATOM 340 CA PHE A 24 66.712 4.778 -1.361 1.00 0.00 C ATOM 341 C PHE A 24 65.804 4.974 -0.153 1.00 0.00 C ATOM 342 O PHE A 24 66.146 5.683 0.791 1.00 0.00 O ATOM 343 CB PHE A 24 67.653 3.612 -1.070 1.00 0.00 C ATOM 344 CG PHE A 24 68.427 3.240 -2.306 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.662 3.841 -2.580 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.905 2.283 -3.176 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.378 3.465 -3.725 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.615 1.910 -4.317 1.00 0.00 C ATOM 349 CZ PHE A 24 69.848 2.504 -4.595 1.00 0.00 C ATOM 0 H PHE A 24 67.918 6.414 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 24 66.104 4.563 -2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.342 3.883 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.080 2.753 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 24 70.061 4.590 -1.912 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.948 1.829 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.337 3.916 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.212 1.163 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.394 2.222 -5.483 1.00 0.00 H new ATOM 359 N GLN A 25 64.652 4.309 -0.190 1.00 0.00 N ATOM 360 CA GLN A 25 63.685 4.369 0.902 1.00 0.00 C ATOM 361 C GLN A 25 63.109 2.985 1.143 1.00 0.00 C ATOM 362 O GLN A 25 62.596 2.349 0.223 1.00 0.00 O ATOM 363 CB GLN A 25 62.548 5.324 0.552 1.00 0.00 C ATOM 364 CG GLN A 25 63.072 6.754 0.521 1.00 0.00 C ATOM 365 CD GLN A 25 61.956 7.703 0.099 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.828 7.273 -0.141 1.00 0.00 O ATOM 367 NE2 GLN A 25 62.202 8.980 0.006 1.00 0.00 N ATOM 0 H GLN A 25 64.364 3.719 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 25 64.191 4.727 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.124 5.061 -0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.747 5.236 1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.448 7.035 1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 25 63.909 6.830 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 25 63.137 9.335 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 25 61.459 9.624 -0.266 1.00 0.00 H new ATOM 376 N CYS A 26 63.198 2.515 2.377 1.00 0.00 N ATOM 377 CA CYS A 26 62.683 1.192 2.718 1.00 0.00 C ATOM 378 C CYS A 26 62.147 1.181 4.141 1.00 0.00 C ATOM 379 O CYS A 26 62.450 2.065 4.939 1.00 0.00 O ATOM 380 CB CYS A 26 63.801 0.150 2.574 1.00 0.00 C ATOM 381 SG CYS A 26 63.298 -1.411 3.341 1.00 0.00 S ATOM 0 H CYS A 26 63.618 3.023 3.156 1.00 0.00 H new ATOM 0 HA CYS A 26 61.868 0.946 2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 26 64.026 -0.010 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.714 0.517 3.043 1.00 0.00 H new ATOM 0 HG CYS A 26 62.199 -1.831 2.789 1.00 0.00 H new ATOM 387 N ARG A 27 61.353 0.163 4.450 1.00 0.00 N ATOM 388 CA ARG A 27 60.774 0.011 5.782 1.00 0.00 C ATOM 389 C ARG A 27 61.225 -1.312 6.371 1.00 0.00 C ATOM 390 O ARG A 27 60.960 -2.369 5.799 1.00 0.00 O ATOM 391 CB ARG A 27 59.249 0.045 5.690 1.00 0.00 C ATOM 392 CG ARG A 27 58.647 -0.056 7.090 1.00 0.00 C ATOM 393 CD ARG A 27 57.125 0.048 6.990 1.00 0.00 C ATOM 394 NE ARG A 27 56.535 0.086 8.321 1.00 0.00 N ATOM 395 CZ ARG A 27 56.193 -1.033 8.949 1.00 0.00 C ATOM 396 NH1 ARG A 27 56.829 -1.400 10.026 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.226 -1.769 8.474 1.00 0.00 N ATOM 0 H ARG A 27 61.094 -0.574 3.794 1.00 0.00 H new ATOM 0 HA ARG A 27 61.107 0.828 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.924 0.968 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.894 -0.779 5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 27 58.929 -1.001 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.037 0.739 7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.850 0.946 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.731 -0.802 6.434 1.00 0.00 H new ATOM 0 HE ARG A 27 56.382 0.985 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 27 57.591 -0.827 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 27 56.564 -2.260 10.507 1.00 0.00 H new ATOM 0 HH21 ARG A 27 54.738 -1.484 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.958 -2.630 8.952 1.00 0.00 H new ATOM 411 N LEU A 28 61.925 -1.260 7.503 1.00 0.00 N ATOM 412 CA LEU A 28 62.418 -2.486 8.129 1.00 0.00 C ATOM 413 C LEU A 28 62.184 -2.449 9.636 1.00 0.00 C ATOM 414 O LEU A 28 62.891 -1.752 10.358 1.00 0.00 O ATOM 415 CB LEU A 28 63.923 -2.624 7.829 1.00 0.00 C ATOM 416 CG LEU A 28 64.347 -4.097 7.864 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.821 -4.211 7.470 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.147 -4.662 9.271 1.00 0.00 C ATOM 0 H LEU A 28 62.160 -0.400 7.998 1.00 0.00 H new ATOM 0 HA LEU A 28 61.879 -3.343 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.145 -2.199 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.499 -2.057 8.560 1.00 0.00 H new ATOM 0 HG LEU A 28 63.736 -4.664 7.162 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.124 -5.258 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 28 65.960 -3.816 6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.430 -3.640 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.450 -5.709 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.752 -4.097 9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.096 -4.584 9.548 1.00 0.00 H new ATOM 430 N SER A 29 61.202 -3.214 10.108 1.00 0.00 N ATOM 431 CA SER A 29 60.919 -3.250 11.539 1.00 0.00 C ATOM 432 C SER A 29 62.127 -3.791 12.268 1.00 0.00 C ATOM 433 O SER A 29 62.949 -4.496 11.686 1.00 0.00 O ATOM 434 CB SER A 29 59.706 -4.124 11.858 1.00 0.00 C ATOM 435 OG SER A 29 60.027 -5.479 11.583 1.00 0.00 O ATOM 0 H SER A 29 60.601 -3.805 9.534 1.00 0.00 H new ATOM 0 HA SER A 29 60.695 -2.234 11.864 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.424 -4.009 12.905 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.849 -3.811 11.261 1.00 0.00 H new ATOM 0 HG SER A 29 59.203 -5.985 11.426 1.00 0.00 H new ATOM 441 N ARG A 30 62.232 -3.445 13.538 1.00 0.00 N ATOM 442 CA ARG A 30 63.366 -3.856 14.345 1.00 0.00 C ATOM 443 C ARG A 30 63.623 -5.351 14.256 1.00 0.00 C ATOM 444 O ARG A 30 62.759 -6.127 13.846 1.00 0.00 O ATOM 445 CB ARG A 30 63.099 -3.466 15.792 1.00 0.00 C ATOM 446 CG ARG A 30 61.880 -4.230 16.321 1.00 0.00 C ATOM 447 CD ARG A 30 61.562 -3.743 17.735 1.00 0.00 C ATOM 448 NE ARG A 30 60.483 -4.535 18.314 1.00 0.00 N ATOM 449 CZ ARG A 30 59.209 -4.221 18.112 1.00 0.00 C ATOM 450 NH1 ARG A 30 58.571 -3.493 18.986 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 58.597 -4.642 17.039 1.00 0.00 N ATOM 0 H ARG A 30 61.544 -2.879 14.034 1.00 0.00 H new ATOM 0 HA ARG A 30 64.256 -3.354 13.965 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.973 -3.688 16.405 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.925 -2.392 15.862 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.023 -4.071 15.666 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.081 -5.301 16.328 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.452 -3.816 18.361 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.276 -2.691 17.709 1.00 0.00 H new ATOM 0 HE ARG A 30 60.712 -5.348 18.886 1.00 0.00 H new ATOM 0 HH11 ARG A 30 59.051 -3.165 19.824 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.592 -3.251 18.831 1.00 0.00 H new ATOM 0 HH21 ARG A 30 59.097 -5.212 16.357 1.00 0.00 H new ATOM 0 HH22 ARG A 30 57.618 -4.401 16.883 1.00 0.00 H new ATOM 465 N ALA A 31 64.845 -5.733 14.624 1.00 0.00 N ATOM 466 CA ALA A 31 65.262 -7.124 14.571 1.00 0.00 C ATOM 467 C ALA A 31 64.570 -7.947 15.647 1.00 0.00 C ATOM 468 O ALA A 31 63.859 -7.410 16.496 1.00 0.00 O ATOM 469 CB ALA A 31 66.776 -7.217 14.746 1.00 0.00 C ATOM 0 H ALA A 31 65.563 -5.092 14.963 1.00 0.00 H new ATOM 0 HA ALA A 31 64.979 -7.527 13.598 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.083 -8.262 14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.269 -6.662 13.948 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.058 -6.793 15.710 1.00 0.00 H new ATOM 475 N SER A 32 64.797 -9.259 15.608 1.00 0.00 N ATOM 476 CA SER A 32 64.208 -10.176 16.590 1.00 0.00 C ATOM 477 C SER A 32 65.329 -10.891 17.322 1.00 0.00 C ATOM 478 O SER A 32 65.101 -11.752 18.170 1.00 0.00 O ATOM 479 CB SER A 32 63.310 -11.199 15.887 1.00 0.00 C ATOM 480 OG SER A 32 62.934 -12.212 16.809 1.00 0.00 O ATOM 0 H SER A 32 65.384 -9.713 14.908 1.00 0.00 H new ATOM 0 HA SER A 32 63.601 -9.613 17.298 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.422 -10.707 15.489 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.836 -11.640 15.041 1.00 0.00 H new ATOM 0 HG SER A 32 63.404 -12.073 17.658 1.00 0.00 H new ATOM 486 N GLY A 33 66.546 -10.514 16.957 1.00 0.00 N ATOM 487 CA GLY A 33 67.749 -11.089 17.535 1.00 0.00 C ATOM 488 C GLY A 33 68.869 -11.019 16.515 1.00 0.00 C ATOM 489 O GLY A 33 70.050 -11.006 16.863 1.00 0.00 O ATOM 0 H GLY A 33 66.726 -9.800 16.251 1.00 0.00 H new ATOM 0 HA2 GLY A 33 68.028 -10.547 18.439 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.569 -12.124 17.826 1.00 0.00 H new ATOM 493 N GLN A 34 68.479 -10.960 15.238 1.00 0.00 N ATOM 494 CA GLN A 34 69.437 -10.876 14.137 1.00 0.00 C ATOM 495 C GLN A 34 69.199 -9.616 13.321 1.00 0.00 C ATOM 496 O GLN A 34 68.123 -9.422 12.757 1.00 0.00 O ATOM 497 CB GLN A 34 69.308 -12.106 13.241 1.00 0.00 C ATOM 498 CG GLN A 34 69.824 -13.332 13.994 1.00 0.00 C ATOM 499 CD GLN A 34 69.547 -14.595 13.191 1.00 0.00 C ATOM 500 OE1 GLN A 34 68.393 -14.897 12.889 1.00 0.00 O ATOM 501 NE2 GLN A 34 70.542 -15.359 12.832 1.00 0.00 N ATOM 0 H GLN A 34 67.503 -10.969 14.943 1.00 0.00 H new ATOM 0 HA GLN A 34 70.444 -10.838 14.553 1.00 0.00 H new ATOM 0 HB2 GLN A 34 68.267 -12.253 12.952 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.877 -11.963 12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 34 70.895 -13.234 14.174 1.00 0.00 H new ATOM 0 HG3 GLN A 34 69.342 -13.399 14.969 1.00 0.00 H new ATOM 0 HE21 GLN A 34 71.497 -15.105 13.084 1.00 0.00 H new ATOM 0 HE22 GLN A 34 70.365 -16.210 12.299 1.00 0.00 H new ATOM 510 N GLU A 35 70.212 -8.753 13.272 1.00 0.00 N ATOM 511 CA GLU A 35 70.106 -7.497 12.532 1.00 0.00 C ATOM 512 C GLU A 35 70.646 -7.648 11.111 1.00 0.00 C ATOM 513 O GLU A 35 71.544 -8.452 10.858 1.00 0.00 O ATOM 514 CB GLU A 35 70.874 -6.396 13.263 1.00 0.00 C ATOM 515 CG GLU A 35 70.665 -5.065 12.539 1.00 0.00 C ATOM 516 CD GLU A 35 71.352 -3.938 13.299 1.00 0.00 C ATOM 517 OE1 GLU A 35 72.099 -4.237 14.217 1.00 0.00 O ATOM 518 OE2 GLU A 35 71.127 -2.791 12.946 1.00 0.00 O1- ATOM 0 H GLU A 35 71.110 -8.899 13.733 1.00 0.00 H new ATOM 0 HA GLU A 35 69.052 -7.227 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 35 70.529 -6.320 14.294 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.936 -6.640 13.299 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.065 -5.127 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.599 -4.855 12.449 1.00 0.00 H new ATOM 525 N ALA A 36 70.080 -6.866 10.193 1.00 0.00 N ATOM 526 CA ALA A 36 70.486 -6.900 8.791 1.00 0.00 C ATOM 527 C ALA A 36 71.753 -6.086 8.562 1.00 0.00 C ATOM 528 O ALA A 36 72.192 -5.339 9.436 1.00 0.00 O ATOM 529 CB ALA A 36 69.373 -6.310 7.928 1.00 0.00 C ATOM 0 H ALA A 36 69.336 -6.199 10.397 1.00 0.00 H new ATOM 0 HA ALA A 36 70.679 -7.938 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.673 -6.334 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.463 -6.895 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 36 69.187 -5.279 8.229 1.00 0.00 H new ATOM 535 N ARG A 37 72.330 -6.233 7.368 1.00 0.00 N ATOM 536 CA ARG A 37 73.544 -5.504 7.004 1.00 0.00 C ATOM 537 C ARG A 37 73.513 -5.121 5.522 1.00 0.00 C ATOM 538 O ARG A 37 72.972 -5.856 4.694 1.00 0.00 O ATOM 539 CB ARG A 37 74.771 -6.368 7.302 1.00 0.00 C ATOM 540 CG ARG A 37 74.735 -7.637 6.449 1.00 0.00 C ATOM 541 CD ARG A 37 75.921 -8.523 6.821 1.00 0.00 C ATOM 542 NE ARG A 37 77.171 -7.833 6.519 1.00 0.00 N ATOM 543 CZ ARG A 37 77.654 -7.796 5.282 1.00 0.00 C ATOM 544 NH1 ARG A 37 78.741 -8.456 4.987 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 77.044 -7.093 4.362 1.00 0.00 N ATOM 0 H ARG A 37 71.975 -6.850 6.638 1.00 0.00 H new ATOM 0 HA ARG A 37 73.599 -4.589 7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 37 75.681 -5.806 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.793 -6.631 8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.800 -8.173 6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.775 -7.380 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.881 -8.773 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.872 -9.462 6.270 1.00 0.00 H new ATOM 0 HE ARG A 37 77.683 -7.371 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 37 79.219 -8.999 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 37 79.113 -8.428 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.198 -6.573 4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.415 -7.065 3.412 1.00 0.00 H new ATOM 559 N TRP A 38 74.087 -3.964 5.201 1.00 0.00 N ATOM 560 CA TRP A 38 74.118 -3.481 3.821 1.00 0.00 C ATOM 561 C TRP A 38 75.198 -4.199 3.020 1.00 0.00 C ATOM 562 O TRP A 38 75.958 -5.002 3.562 1.00 0.00 O ATOM 563 CB TRP A 38 74.409 -1.979 3.805 1.00 0.00 C ATOM 564 CG TRP A 38 73.212 -1.219 4.273 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.151 -0.497 5.414 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.906 -1.090 3.639 1.00 0.00 C ATOM 567 NE1 TRP A 38 71.900 0.078 5.513 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.096 -0.258 4.446 1.00 0.00 C ATOM 569 CE3 TRP A 38 71.355 -1.604 2.451 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.782 0.047 4.091 1.00 0.00 C ATOM 571 CZ3 TRP A 38 70.033 -1.298 2.091 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.249 -0.471 2.907 1.00 0.00 C ATOM 0 H TRP A 38 74.536 -3.344 5.875 1.00 0.00 H new ATOM 0 HA TRP A 38 73.146 -3.681 3.369 1.00 0.00 H new ATOM 0 HB2 TRP A 38 75.262 -1.759 4.446 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.678 -1.664 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.951 -0.388 6.131 1.00 0.00 H new ATOM 0 HE1 TRP A 38 71.606 0.679 6.283 1.00 0.00 H new ATOM 0 HE3 TRP A 38 71.952 -2.238 1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.180 0.679 4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 69.618 -1.702 1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.235 -0.234 2.622 1.00 0.00 H new ATOM 583 N ALA A 39 75.271 -3.891 1.729 1.00 0.00 N ATOM 584 CA ALA A 39 76.275 -4.503 0.870 1.00 0.00 C ATOM 585 C ALA A 39 76.407 -3.728 -0.438 1.00 0.00 C ATOM 586 O ALA A 39 75.533 -3.790 -1.301 1.00 0.00 O ATOM 587 CB ALA A 39 75.900 -5.961 0.586 1.00 0.00 C ATOM 0 H ALA A 39 74.654 -3.228 1.260 1.00 0.00 H new ATOM 0 HA ALA A 39 77.236 -4.476 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 39 76.655 -6.412 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 39 75.846 -6.512 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 39 74.931 -5.997 0.088 1.00 0.00 H new ATOM 593 N LEU A 40 77.514 -2.997 -0.577 1.00 0.00 N ATOM 594 CA LEU A 40 77.770 -2.205 -1.780 1.00 0.00 C ATOM 595 C LEU A 40 79.007 -2.744 -2.485 1.00 0.00 C ATOM 596 O LEU A 40 80.119 -2.667 -1.961 1.00 0.00 O ATOM 597 CB LEU A 40 77.991 -0.740 -1.371 1.00 0.00 C ATOM 598 CG LEU A 40 77.805 0.231 -2.558 1.00 0.00 C ATOM 599 CD1 LEU A 40 78.729 -0.149 -3.721 1.00 0.00 C ATOM 600 CD2 LEU A 40 76.343 0.235 -3.036 1.00 0.00 C ATOM 0 H LEU A 40 78.248 -2.937 0.129 1.00 0.00 H new ATOM 0 HA LEU A 40 76.920 -2.268 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.293 -0.477 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.996 -0.626 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 40 78.065 1.232 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 40 78.581 0.548 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 40 79.767 -0.105 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.497 -1.160 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 40 76.236 0.926 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 40 76.062 -0.768 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 40 75.694 0.551 -2.219 1.00 0.00 H new ATOM 612 N GLY A 41 78.809 -3.288 -3.679 1.00 0.00 N ATOM 613 CA GLY A 41 79.919 -3.834 -4.445 1.00 0.00 C ATOM 614 C GLY A 41 80.441 -5.122 -3.813 1.00 0.00 C ATOM 615 O GLY A 41 81.551 -5.564 -4.114 1.00 0.00 O ATOM 0 H GLY A 41 77.899 -3.362 -4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.597 -4.031 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.723 -3.100 -4.500 1.00 0.00 H new ATOM 619 N GLY A 42 79.633 -5.725 -2.939 1.00 0.00 N ATOM 620 CA GLY A 42 80.020 -6.970 -2.269 1.00 0.00 C ATOM 621 C GLY A 42 80.568 -6.700 -0.869 1.00 0.00 C ATOM 622 O GLY A 42 80.562 -7.581 -0.009 1.00 0.00 O ATOM 0 H GLY A 42 78.711 -5.375 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.157 -7.633 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.774 -7.486 -2.864 1.00 0.00 H new ATOM 626 N VAL A 43 81.038 -5.472 -0.644 1.00 0.00 N ATOM 627 CA VAL A 43 81.584 -5.079 0.660 1.00 0.00 C ATOM 628 C VAL A 43 80.656 -4.047 1.326 1.00 0.00 C ATOM 629 O VAL A 43 80.006 -3.270 0.626 1.00 0.00 O ATOM 630 CB VAL A 43 82.983 -4.486 0.471 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.868 -5.496 -0.265 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.885 -3.203 -0.356 1.00 0.00 C ATOM 0 H VAL A 43 81.052 -4.732 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 43 81.652 -5.956 1.304 1.00 0.00 H new ATOM 0 HB VAL A 43 83.417 -4.260 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.865 -5.076 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.937 -6.413 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.433 -5.719 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.881 -2.780 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.452 -3.430 -1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.252 -2.483 0.163 1.00 0.00 H new ATOM 642 N PRO A 44 80.562 -4.011 2.645 1.00 0.00 N ATOM 643 CA PRO A 44 79.666 -3.032 3.332 1.00 0.00 C ATOM 644 C PRO A 44 80.040 -1.588 2.989 1.00 0.00 C ATOM 645 O PRO A 44 81.217 -1.259 2.841 1.00 0.00 O ATOM 646 CB PRO A 44 79.846 -3.296 4.847 1.00 0.00 C ATOM 647 CG PRO A 44 80.820 -4.439 4.995 1.00 0.00 C ATOM 648 CD PRO A 44 81.274 -4.885 3.591 1.00 0.00 C ATOM 0 HA PRO A 44 78.631 -3.159 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.221 -2.405 5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.891 -3.544 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.679 -4.129 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.351 -5.270 5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.354 -4.786 3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.030 -5.933 3.415 1.00 0.00 H new ATOM 656 N LEU A 45 79.026 -0.731 2.885 1.00 0.00 N ATOM 657 CA LEU A 45 79.248 0.679 2.582 1.00 0.00 C ATOM 658 C LEU A 45 79.430 1.448 3.887 1.00 0.00 C ATOM 659 O LEU A 45 79.112 0.944 4.965 1.00 0.00 O ATOM 660 CB LEU A 45 78.058 1.261 1.783 1.00 0.00 C ATOM 661 CG LEU A 45 76.766 0.516 2.144 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.501 0.646 3.649 1.00 0.00 C ATOM 663 CD2 LEU A 45 75.588 1.122 1.368 1.00 0.00 C ATOM 0 H LEU A 45 78.046 -0.988 3.006 1.00 0.00 H new ATOM 0 HA LEU A 45 80.145 0.775 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.948 2.323 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.251 1.174 0.714 1.00 0.00 H new ATOM 0 HG LEU A 45 76.873 -0.537 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.583 0.116 3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.334 0.215 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.397 1.699 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 74.671 0.592 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.484 2.175 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 75.772 1.030 0.298 1.00 0.00 H new ATOM 675 N GLN A 46 79.946 2.668 3.786 1.00 0.00 N ATOM 676 CA GLN A 46 80.172 3.501 4.967 1.00 0.00 C ATOM 677 C GLN A 46 79.709 4.930 4.703 1.00 0.00 C ATOM 678 O GLN A 46 79.637 5.371 3.556 1.00 0.00 O ATOM 679 CB GLN A 46 81.659 3.495 5.330 1.00 0.00 C ATOM 680 CG GLN A 46 82.066 2.107 5.832 1.00 0.00 C ATOM 681 CD GLN A 46 83.561 2.094 6.154 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.069 3.024 6.780 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.299 1.086 5.767 1.00 0.00 N ATOM 0 H GLN A 46 80.215 3.103 2.904 1.00 0.00 H new ATOM 0 HA GLN A 46 79.597 3.094 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.256 3.766 4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 46 81.858 4.242 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 46 81.490 1.848 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.840 1.355 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 46 83.878 0.315 5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.296 1.071 5.984 1.00 0.00 H new ATOM 692 N ALA A 47 79.381 5.642 5.775 1.00 0.00 N ATOM 693 CA ALA A 47 78.903 7.015 5.658 1.00 0.00 C ATOM 694 C ALA A 47 79.968 7.932 5.052 1.00 0.00 C ATOM 695 O ALA A 47 80.571 8.746 5.752 1.00 0.00 O ATOM 696 CB ALA A 47 78.495 7.536 7.039 1.00 0.00 C ATOM 0 H ALA A 47 79.437 5.293 6.732 1.00 0.00 H new ATOM 0 HA ALA A 47 78.041 7.017 4.991 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.138 8.562 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.701 6.909 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.356 7.508 7.707 1.00 0.00 H new ATOM 702 N ASN A 48 80.179 7.808 3.740 1.00 0.00 N ATOM 703 CA ASN A 48 81.158 8.644 3.047 1.00 0.00 C ATOM 704 C ASN A 48 80.631 10.064 2.916 1.00 0.00 C ATOM 705 O ASN A 48 79.427 10.297 3.018 1.00 0.00 O ATOM 706 CB ASN A 48 81.443 8.089 1.647 1.00 0.00 C ATOM 707 CG ASN A 48 82.284 6.823 1.737 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.948 6.587 2.746 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.292 5.987 0.735 1.00 0.00 N ATOM 0 H ASN A 48 79.689 7.143 3.142 1.00 0.00 H new ATOM 0 HA ASN A 48 82.079 8.644 3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 48 80.504 7.874 1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.965 8.838 1.052 1.00 0.00 H new ATOM 0 HD21 ASN A 48 82.850 5.135 0.786 1.00 0.00 H new ATOM 0 HD22 ASN A 48 81.740 6.186 -0.100 1.00 0.00 H new ATOM 716 N GLU A 49 81.529 11.014 2.687 1.00 0.00 N ATOM 717 CA GLU A 49 81.113 12.400 2.543 1.00 0.00 C ATOM 718 C GLU A 49 80.044 12.524 1.454 1.00 0.00 C ATOM 719 O GLU A 49 79.001 13.141 1.672 1.00 0.00 O ATOM 720 CB GLU A 49 82.311 13.276 2.178 1.00 0.00 C ATOM 721 CG GLU A 49 83.277 13.367 3.362 1.00 0.00 C ATOM 722 CD GLU A 49 84.502 14.176 2.954 1.00 0.00 C ATOM 723 OE1 GLU A 49 85.460 14.186 3.710 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.458 14.781 1.894 1.00 0.00 O1- ATOM 0 H GLU A 49 82.532 10.853 2.598 1.00 0.00 H new ATOM 0 HA GLU A 49 80.698 12.734 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.824 12.860 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.971 14.273 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.784 13.837 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.576 12.368 3.679 1.00 0.00 H new ATOM 731 N MET A 50 80.303 11.934 0.286 1.00 0.00 N ATOM 732 CA MET A 50 79.338 11.987 -0.815 1.00 0.00 C ATOM 733 C MET A 50 78.104 11.152 -0.492 1.00 0.00 C ATOM 734 O MET A 50 76.980 11.549 -0.801 1.00 0.00 O ATOM 735 CB MET A 50 79.969 11.490 -2.122 1.00 0.00 C ATOM 736 CG MET A 50 81.048 12.474 -2.592 1.00 0.00 C ATOM 737 SD MET A 50 81.604 12.020 -4.257 1.00 0.00 S ATOM 738 CE MET A 50 82.399 10.448 -3.842 1.00 0.00 C ATOM 0 H MET A 50 81.160 11.421 0.079 1.00 0.00 H new ATOM 0 HA MET A 50 79.039 13.027 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.406 10.503 -1.972 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.202 11.386 -2.889 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.652 13.489 -2.595 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.891 12.462 -1.901 1.00 0.00 H new ATOM 0 HE1 MET A 50 83.358 10.378 -4.356 1.00 0.00 H new ATOM 0 HE2 MET A 50 82.559 10.395 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.759 9.623 -4.155 1.00 0.00 H new ATOM 748 N ASN A 51 78.318 9.986 0.126 1.00 0.00 N ATOM 749 CA ASN A 51 77.211 9.089 0.487 1.00 0.00 C ATOM 750 C ASN A 51 76.972 9.096 1.991 1.00 0.00 C ATOM 751 O ASN A 51 77.796 8.612 2.764 1.00 0.00 O ATOM 752 CB ASN A 51 77.525 7.660 0.045 1.00 0.00 C ATOM 753 CG ASN A 51 76.294 6.776 0.234 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.165 7.245 0.098 1.00 0.00 O ATOM 755 ND2 ASN A 51 76.449 5.519 0.543 1.00 0.00 N ATOM 0 H ASN A 51 79.242 9.641 0.386 1.00 0.00 H new ATOM 0 HA ASN A 51 76.315 9.447 -0.019 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.832 7.653 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 51 78.359 7.266 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.633 4.921 0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.387 5.133 0.655 1.00 0.00 H new ATOM 762 N ASP A 52 75.827 9.639 2.397 1.00 0.00 N ATOM 763 CA ASP A 52 75.458 9.704 3.810 1.00 0.00 C ATOM 764 C ASP A 52 74.300 8.745 4.084 1.00 0.00 C ATOM 765 O ASP A 52 73.418 8.583 3.246 1.00 0.00 O ATOM 766 CB ASP A 52 75.038 11.132 4.161 1.00 0.00 C ATOM 767 CG ASP A 52 74.784 11.256 5.655 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.799 10.239 6.325 1.00 0.00 O ATOM 769 OD2 ASP A 52 74.577 12.369 6.106 1.00 0.00 O1- ATOM 0 H ASP A 52 75.135 10.042 1.765 1.00 0.00 H new ATOM 0 HA ASP A 52 76.313 9.417 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 52 75.817 11.832 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.137 11.399 3.609 1.00 0.00 H new ATOM 774 N ILE A 53 74.307 8.116 5.258 1.00 0.00 N ATOM 775 CA ILE A 53 73.251 7.173 5.635 1.00 0.00 C ATOM 776 C ILE A 53 72.692 7.565 6.991 1.00 0.00 C ATOM 777 O ILE A 53 73.442 7.924 7.900 1.00 0.00 O ATOM 778 CB ILE A 53 73.816 5.750 5.685 1.00 0.00 C ATOM 779 CG1 ILE A 53 72.688 4.732 5.934 1.00 0.00 C ATOM 780 CG2 ILE A 53 74.831 5.642 6.817 1.00 0.00 C ATOM 781 CD1 ILE A 53 73.185 3.293 5.664 1.00 0.00 C ATOM 0 H ILE A 53 75.031 8.241 5.965 1.00 0.00 H new ATOM 0 HA ILE A 53 72.452 7.203 4.894 1.00 0.00 H new ATOM 0 HB ILE A 53 74.294 5.534 4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 53 72.337 4.814 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 53 71.839 4.957 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 53 75.232 4.629 6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 53 75.644 6.348 6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 53 74.345 5.872 7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 53 72.374 2.588 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.513 3.210 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.019 3.065 6.328 1.00 0.00 H new ATOM 793 N THR A 54 71.370 7.533 7.117 1.00 0.00 N ATOM 794 CA THR A 54 70.729 7.924 8.369 1.00 0.00 C ATOM 795 C THR A 54 69.547 7.020 8.699 1.00 0.00 C ATOM 796 O THR A 54 68.966 6.385 7.817 1.00 0.00 O ATOM 797 CB THR A 54 70.240 9.369 8.253 1.00 0.00 C ATOM 798 OG1 THR A 54 68.966 9.385 7.623 1.00 0.00 O ATOM 799 CG2 THR A 54 71.229 10.181 7.417 1.00 0.00 C ATOM 0 H THR A 54 70.728 7.245 6.379 1.00 0.00 H new ATOM 0 HA THR A 54 71.462 7.831 9.170 1.00 0.00 H new ATOM 0 HB THR A 54 70.163 9.807 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 54 68.649 10.309 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 54 70.878 11.210 7.336 1.00 0.00 H new ATOM 0 HG22 THR A 54 72.208 10.168 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 54 71.307 9.745 6.421 1.00 0.00 H new ATOM 807 N VAL A 55 69.184 6.990 9.982 1.00 0.00 N ATOM 808 CA VAL A 55 68.050 6.190 10.454 1.00 0.00 C ATOM 809 C VAL A 55 67.018 7.109 11.111 1.00 0.00 C ATOM 810 O VAL A 55 67.359 7.942 11.950 1.00 0.00 O ATOM 811 CB VAL A 55 68.530 5.124 11.449 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.244 3.996 10.696 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.511 5.750 12.445 1.00 0.00 C ATOM 0 H VAL A 55 69.661 7.513 10.717 1.00 0.00 H new ATOM 0 HA VAL A 55 67.588 5.683 9.607 1.00 0.00 H new ATOM 0 HB VAL A 55 67.667 4.725 11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 55 69.583 3.242 11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 55 68.555 3.541 9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 55 70.102 4.402 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.849 4.990 13.149 1.00 0.00 H new ATOM 0 HG22 VAL A 55 70.369 6.153 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 55 69.014 6.553 12.989 1.00 0.00 H new ATOM 823 N GLU A 56 65.755 6.965 10.703 1.00 0.00 N ATOM 824 CA GLU A 56 64.666 7.797 11.230 1.00 0.00 C ATOM 825 C GLU A 56 63.585 6.937 11.878 1.00 0.00 C ATOM 826 O GLU A 56 63.532 5.725 11.679 1.00 0.00 O ATOM 827 CB GLU A 56 64.043 8.596 10.084 1.00 0.00 C ATOM 828 CG GLU A 56 65.085 9.542 9.480 1.00 0.00 C ATOM 829 CD GLU A 56 65.410 10.660 10.464 1.00 0.00 C ATOM 830 OE1 GLU A 56 66.344 11.400 10.206 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.707 10.770 11.456 1.00 0.00 O1- ATOM 0 H GLU A 56 65.459 6.279 10.008 1.00 0.00 H new ATOM 0 HA GLU A 56 65.079 8.468 11.984 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.668 7.917 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.189 9.167 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.991 8.988 9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.707 9.965 8.549 1.00 0.00 H new ATOM 838 N GLN A 57 62.718 7.588 12.643 1.00 0.00 N ATOM 839 CA GLN A 57 61.622 6.899 13.315 1.00 0.00 C ATOM 840 C GLN A 57 60.973 5.872 12.390 1.00 0.00 C ATOM 841 O GLN A 57 61.001 6.019 11.170 1.00 0.00 O ATOM 842 CB GLN A 57 60.582 7.930 13.756 1.00 0.00 C ATOM 843 CG GLN A 57 61.142 8.733 14.930 1.00 0.00 C ATOM 844 CD GLN A 57 60.167 9.832 15.333 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.460 10.379 14.486 1.00 0.00 O ATOM 846 NE2 GLN A 57 60.095 10.193 16.587 1.00 0.00 N ATOM 0 H GLN A 57 62.752 8.593 12.814 1.00 0.00 H new ATOM 0 HA GLN A 57 62.016 6.370 14.183 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.337 8.595 12.928 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.658 7.431 14.048 1.00 0.00 H new ATOM 0 HG2 GLN A 57 61.325 8.072 15.777 1.00 0.00 H new ATOM 0 HG3 GLN A 57 62.101 9.172 14.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 60.683 9.736 17.284 1.00 0.00 H new ATOM 0 HE22 GLN A 57 59.451 10.932 16.869 1.00 0.00 H new ATOM 855 N GLY A 58 60.391 4.830 12.983 1.00 0.00 N ATOM 856 CA GLY A 58 59.740 3.785 12.202 1.00 0.00 C ATOM 857 C GLY A 58 60.775 2.920 11.490 1.00 0.00 C ATOM 858 O GLY A 58 60.460 2.235 10.519 1.00 0.00 O ATOM 0 H GLY A 58 60.358 4.690 13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.127 3.164 12.856 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.070 4.235 11.470 1.00 0.00 H new ATOM 862 N THR A 59 62.012 2.974 11.974 1.00 0.00 N ATOM 863 CA THR A 59 63.097 2.206 11.372 1.00 0.00 C ATOM 864 C THR A 59 63.136 2.433 9.871 1.00 0.00 C ATOM 865 O THR A 59 63.482 1.532 9.102 1.00 0.00 O ATOM 866 CB THR A 59 62.933 0.718 11.654 1.00 0.00 C ATOM 867 OG1 THR A 59 61.768 0.238 11.000 1.00 0.00 O ATOM 868 CG2 THR A 59 62.811 0.491 13.156 1.00 0.00 C ATOM 0 H THR A 59 62.288 3.539 12.778 1.00 0.00 H new ATOM 0 HA THR A 59 64.033 2.547 11.815 1.00 0.00 H new ATOM 0 HB THR A 59 63.804 0.180 11.281 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.394 0.947 10.436 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.694 -0.574 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 63.710 0.856 13.653 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.942 1.029 13.536 1.00 0.00 H new ATOM 876 N LEU A 60 62.778 3.639 9.456 1.00 0.00 N ATOM 877 CA LEU A 60 62.786 3.968 8.042 1.00 0.00 C ATOM 878 C LEU A 60 64.214 4.274 7.592 1.00 0.00 C ATOM 879 O LEU A 60 64.852 5.190 8.108 1.00 0.00 O ATOM 880 CB LEU A 60 61.897 5.188 7.790 1.00 0.00 C ATOM 881 CG LEU A 60 60.465 4.902 8.265 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.632 6.185 8.155 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.828 3.791 7.407 1.00 0.00 C ATOM 0 H LEU A 60 62.482 4.397 10.071 1.00 0.00 H new ATOM 0 HA LEU A 60 62.403 3.119 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.297 6.055 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 60 61.894 5.433 6.728 1.00 0.00 H new ATOM 0 HG LEU A 60 60.491 4.568 9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.614 5.988 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.076 6.961 8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.613 6.519 7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.813 3.599 7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.800 4.107 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.420 2.880 7.494 1.00 0.00 H new ATOM 895 N HIS A 61 64.710 3.507 6.626 1.00 0.00 N ATOM 896 CA HIS A 61 66.059 3.716 6.110 1.00 0.00 C ATOM 897 C HIS A 61 66.035 4.809 5.052 1.00 0.00 C ATOM 898 O HIS A 61 65.086 4.894 4.269 1.00 0.00 O ATOM 899 CB HIS A 61 66.587 2.425 5.489 1.00 0.00 C ATOM 900 CG HIS A 61 66.687 1.358 6.543 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.785 1.243 7.381 1.00 0.00 N ATOM 902 CD2 HIS A 61 65.828 0.352 6.908 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.562 0.198 8.200 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.382 -0.380 7.953 1.00 0.00 N ATOM 0 H HIS A 61 64.202 2.739 6.187 1.00 0.00 H new ATOM 0 HA HIS A 61 66.711 4.013 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.924 2.098 4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.565 2.599 5.041 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.611 1.841 7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 61 64.868 0.158 6.453 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.251 -0.133 8.963 1.00 0.00 H new ATOM 912 N LEU A 62 67.073 5.643 5.018 1.00 0.00 N ATOM 913 CA LEU A 62 67.133 6.723 4.036 1.00 0.00 C ATOM 914 C LEU A 62 68.577 6.947 3.616 1.00 0.00 C ATOM 915 O LEU A 62 69.318 7.679 4.269 1.00 0.00 O ATOM 916 CB LEU A 62 66.532 8.004 4.648 1.00 0.00 C ATOM 917 CG LEU A 62 66.725 9.207 3.715 1.00 0.00 C ATOM 918 CD1 LEU A 62 66.005 8.959 2.381 1.00 0.00 C ATOM 919 CD2 LEU A 62 66.135 10.452 4.385 1.00 0.00 C ATOM 0 H LEU A 62 67.873 5.593 5.649 1.00 0.00 H new ATOM 0 HA LEU A 62 66.554 6.456 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.469 7.855 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.003 8.207 5.610 1.00 0.00 H new ATOM 0 HG LEU A 62 67.788 9.351 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.148 9.818 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 62 66.416 8.068 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.940 8.815 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.266 11.314 3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.072 10.296 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.646 10.633 5.331 1.00 0.00 H new ATOM 931 N LEU A 63 68.972 6.299 2.523 1.00 0.00 N ATOM 932 CA LEU A 63 70.334 6.425 2.019 1.00 0.00 C ATOM 933 C LEU A 63 70.394 7.537 0.983 1.00 0.00 C ATOM 934 O LEU A 63 69.889 7.391 -0.132 1.00 0.00 O ATOM 935 CB LEU A 63 70.749 5.078 1.424 1.00 0.00 C ATOM 936 CG LEU A 63 72.224 5.057 1.009 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.133 5.399 2.203 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.537 3.644 0.520 1.00 0.00 C ATOM 0 H LEU A 63 68.371 5.685 1.973 1.00 0.00 H new ATOM 0 HA LEU A 63 71.025 6.686 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.568 4.289 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 63 70.126 4.859 0.557 1.00 0.00 H new ATOM 0 HG LEU A 63 72.403 5.797 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.175 5.378 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 63 72.887 6.394 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.981 4.668 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.582 3.588 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.356 2.932 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.897 3.403 -0.329 1.00 0.00 H new ATOM 950 N THR A 64 70.996 8.661 1.373 1.00 0.00 N ATOM 951 CA THR A 64 71.102 9.820 0.489 1.00 0.00 C ATOM 952 C THR A 64 72.450 9.854 -0.213 1.00 0.00 C ATOM 953 O THR A 64 73.438 10.323 0.348 1.00 0.00 O ATOM 954 CB THR A 64 70.941 11.103 1.309 1.00 0.00 C ATOM 955 OG1 THR A 64 69.700 11.075 1.997 1.00 0.00 O ATOM 956 CG2 THR A 64 70.988 12.318 0.379 1.00 0.00 C ATOM 0 H THR A 64 71.416 8.793 2.293 1.00 0.00 H new ATOM 0 HA THR A 64 70.316 9.745 -0.263 1.00 0.00 H new ATOM 0 HB THR A 64 71.753 11.173 2.033 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.599 11.896 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.873 13.230 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.945 12.340 -0.143 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.179 12.251 -0.349 1.00 0.00 H new ATOM 964 N LEU A 65 72.480 9.378 -1.454 1.00 0.00 N ATOM 965 CA LEU A 65 73.715 9.375 -2.240 1.00 0.00 C ATOM 966 C LEU A 65 73.679 10.546 -3.226 1.00 0.00 C ATOM 967 O LEU A 65 72.788 10.616 -4.068 1.00 0.00 O ATOM 968 CB LEU A 65 73.817 8.046 -3.008 1.00 0.00 C ATOM 969 CG LEU A 65 75.270 7.763 -3.411 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.351 6.369 -4.041 1.00 0.00 C ATOM 971 CD2 LEU A 65 75.761 8.810 -4.417 1.00 0.00 C ATOM 0 H LEU A 65 71.670 8.991 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 65 74.580 9.480 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.441 7.232 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.189 8.085 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 65 75.902 7.810 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.381 6.160 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.018 5.623 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 74.711 6.330 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 65 76.793 8.594 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.134 8.780 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.705 9.801 -3.967 1.00 0.00 H new ATOM 983 N HIS A 66 74.644 11.469 -3.115 1.00 0.00 N ATOM 984 CA HIS A 66 74.695 12.635 -4.013 1.00 0.00 C ATOM 985 C HIS A 66 75.909 12.552 -4.926 1.00 0.00 C ATOM 986 O HIS A 66 76.913 11.926 -4.584 1.00 0.00 O ATOM 987 CB HIS A 66 74.779 13.938 -3.205 1.00 0.00 C ATOM 988 CG HIS A 66 73.484 14.174 -2.473 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.309 15.254 -1.622 1.00 0.00 N ATOM 990 CD2 HIS A 66 72.299 13.484 -2.451 1.00 0.00 C ATOM 991 CE1 HIS A 66 72.059 15.181 -1.127 1.00 0.00 C ATOM 992 NE2 HIS A 66 71.401 14.120 -1.601 1.00 0.00 N ATOM 0 H HIS A 66 75.392 11.434 -2.422 1.00 0.00 H new ATOM 0 HA HIS A 66 73.783 12.633 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 66 75.603 13.882 -2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 66 74.988 14.776 -3.871 1.00 0.00 H new ATOM 0 HD1 HIS A 66 74.001 15.973 -1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 66 72.094 12.583 -3.010 1.00 0.00 H new ATOM 0 HE1 HIS A 66 71.640 15.893 -0.432 1.00 0.00 H new ATOM 1000 N LYS A 67 75.815 13.191 -6.086 1.00 0.00 N ATOM 1001 CA LYS A 67 76.921 13.185 -7.029 1.00 0.00 C ATOM 1002 C LYS A 67 77.356 11.751 -7.325 1.00 0.00 C ATOM 1003 O LYS A 67 78.507 11.382 -7.088 1.00 0.00 O ATOM 1004 CB LYS A 67 78.096 13.967 -6.437 1.00 0.00 C ATOM 1005 CG LYS A 67 77.702 15.438 -6.278 1.00 0.00 C ATOM 1006 CD LYS A 67 78.870 16.211 -5.666 1.00 0.00 C ATOM 1007 CE LYS A 67 78.496 17.688 -5.545 1.00 0.00 C ATOM 1008 NZ LYS A 67 77.332 17.828 -4.631 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.994 13.713 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 67 76.599 13.653 -7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.375 13.548 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 67 78.968 13.881 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.438 15.862 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 67 76.821 15.524 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.114 15.805 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 67 79.759 16.100 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 67 79.343 18.259 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 67 78.253 18.095 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 77.273 18.809 -4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 76.459 17.585 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 77.449 17.188 -3.820 1.00 0.00 H new ATOM 1022 N VAL A 68 76.430 10.945 -7.839 1.00 0.00 N ATOM 1023 CA VAL A 68 76.739 9.551 -8.153 1.00 0.00 C ATOM 1024 C VAL A 68 78.010 9.454 -8.999 1.00 0.00 C ATOM 1025 O VAL A 68 78.409 10.416 -9.655 1.00 0.00 O ATOM 1026 CB VAL A 68 75.552 8.891 -8.901 1.00 0.00 C ATOM 1027 CG1 VAL A 68 75.663 9.139 -10.413 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.551 7.377 -8.648 1.00 0.00 C ATOM 0 H VAL A 68 75.472 11.227 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 68 76.906 9.020 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 68 74.627 9.332 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 68 74.822 8.669 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 68 75.651 10.211 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 68 76.595 8.713 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.714 6.920 -9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 68 76.486 6.947 -9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.452 7.187 -7.579 1.00 0.00 H new ATOM 1038 N THR A 69 78.628 8.279 -8.986 1.00 0.00 N ATOM 1039 CA THR A 69 79.845 8.040 -9.760 1.00 0.00 C ATOM 1040 C THR A 69 79.748 6.717 -10.500 1.00 0.00 C ATOM 1041 O THR A 69 78.881 5.892 -10.207 1.00 0.00 O ATOM 1042 CB THR A 69 81.057 7.992 -8.829 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.944 6.866 -7.971 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.120 9.268 -7.990 1.00 0.00 C ATOM 0 H THR A 69 78.307 7.474 -8.448 1.00 0.00 H new ATOM 0 HA THR A 69 79.959 8.853 -10.477 1.00 0.00 H new ATOM 0 HB THR A 69 81.966 7.912 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.720 6.831 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.986 9.227 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.207 10.132 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.212 9.356 -7.393 1.00 0.00 H new ATOM 1052 N LEU A 70 80.660 6.507 -11.439 1.00 0.00 N ATOM 1053 CA LEU A 70 80.680 5.264 -12.187 1.00 0.00 C ATOM 1054 C LEU A 70 80.924 4.124 -11.203 1.00 0.00 C ATOM 1055 O LEU A 70 80.337 3.047 -11.312 1.00 0.00 O ATOM 1056 CB LEU A 70 81.807 5.286 -13.233 1.00 0.00 C ATOM 1057 CG LEU A 70 81.366 6.046 -14.487 1.00 0.00 C ATOM 1058 CD1 LEU A 70 81.101 7.516 -14.152 1.00 0.00 C ATOM 1059 CD2 LEU A 70 82.480 5.966 -15.531 1.00 0.00 C ATOM 0 H LEU A 70 81.387 7.175 -11.697 1.00 0.00 H new ATOM 0 HA LEU A 70 79.731 5.130 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 70 82.694 5.757 -12.809 1.00 0.00 H new ATOM 0 HB3 LEU A 70 82.084 4.266 -13.498 1.00 0.00 H new ATOM 0 HG LEU A 70 80.450 5.599 -14.873 1.00 0.00 H new ATOM 0 HD11 LEU A 70 80.788 8.044 -15.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.314 7.582 -13.401 1.00 0.00 H new ATOM 0 HD13 LEU A 70 82.012 7.970 -13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 70 82.176 6.504 -16.429 1.00 0.00 H new ATOM 0 HD22 LEU A 70 83.388 6.414 -15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 70 82.670 4.922 -15.781 1.00 0.00 H new ATOM 1071 N GLU A 71 81.802 4.389 -10.240 1.00 0.00 N ATOM 1072 CA GLU A 71 82.146 3.401 -9.220 1.00 0.00 C ATOM 1073 C GLU A 71 80.961 3.127 -8.296 1.00 0.00 C ATOM 1074 O GLU A 71 80.772 2.002 -7.842 1.00 0.00 O ATOM 1075 CB GLU A 71 83.341 3.897 -8.391 1.00 0.00 C ATOM 1076 CG GLU A 71 84.592 3.977 -9.271 1.00 0.00 C ATOM 1077 CD GLU A 71 84.997 2.583 -9.735 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.581 1.626 -9.101 1.00 0.00 O ATOM 1079 OE2 GLU A 71 85.715 2.493 -10.717 1.00 0.00 O1- ATOM 0 H GLU A 71 82.289 5.280 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 71 82.411 2.472 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 71 83.120 4.877 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 71 83.518 3.222 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 71 84.399 4.614 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 71 85.409 4.435 -8.714 1.00 0.00 H new ATOM 1086 N ASP A 72 80.172 4.160 -8.011 1.00 0.00 N ATOM 1087 CA ASP A 72 79.020 4.003 -7.127 1.00 0.00 C ATOM 1088 C ASP A 72 78.013 3.014 -7.704 1.00 0.00 C ATOM 1089 O ASP A 72 77.481 2.173 -6.982 1.00 0.00 O ATOM 1090 CB ASP A 72 78.337 5.354 -6.915 1.00 0.00 C ATOM 1091 CG ASP A 72 79.205 6.245 -6.036 1.00 0.00 C ATOM 1092 OD1 ASP A 72 78.944 7.437 -5.997 1.00 0.00 O ATOM 1093 OD2 ASP A 72 80.120 5.726 -5.416 1.00 0.00 O1- ATOM 0 H ASP A 72 80.306 5.104 -8.374 1.00 0.00 H new ATOM 0 HA ASP A 72 79.379 3.616 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.162 5.837 -7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.362 5.209 -6.449 1.00 0.00 H new ATOM 1098 N ALA A 73 77.754 3.115 -9.004 1.00 0.00 N ATOM 1099 CA ALA A 73 76.805 2.211 -9.638 1.00 0.00 C ATOM 1100 C ALA A 73 77.256 0.773 -9.441 1.00 0.00 C ATOM 1101 O ALA A 73 78.448 0.472 -9.491 1.00 0.00 O ATOM 1102 CB ALA A 73 76.690 2.512 -11.131 1.00 0.00 C ATOM 0 H ALA A 73 78.180 3.801 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 73 75.828 2.354 -9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.976 1.826 -11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.347 3.537 -11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.665 2.388 -11.603 1.00 0.00 H new ATOM 1108 N GLY A 74 76.301 -0.113 -9.202 1.00 0.00 N ATOM 1109 CA GLY A 74 76.628 -1.512 -8.982 1.00 0.00 C ATOM 1110 C GLY A 74 75.429 -2.278 -8.450 1.00 0.00 C ATOM 1111 O GLY A 74 74.283 -1.966 -8.774 1.00 0.00 O ATOM 0 H GLY A 74 75.306 0.108 -9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.965 -1.961 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.455 -1.589 -8.276 1.00 0.00 H new ATOM 1115 N THR A 75 75.707 -3.292 -7.638 1.00 0.00 N ATOM 1116 CA THR A 75 74.660 -4.127 -7.057 1.00 0.00 C ATOM 1117 C THR A 75 74.541 -3.877 -5.553 1.00 0.00 C ATOM 1118 O THR A 75 75.525 -4.001 -4.821 1.00 0.00 O ATOM 1119 CB THR A 75 75.010 -5.597 -7.304 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.218 -5.801 -8.696 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.869 -6.495 -6.827 1.00 0.00 C ATOM 0 H THR A 75 76.654 -3.557 -7.366 1.00 0.00 H new ATOM 0 HA THR A 75 73.706 -3.880 -7.523 1.00 0.00 H new ATOM 0 HB THR A 75 75.916 -5.847 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.444 -6.741 -8.859 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.128 -7.538 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.706 -6.340 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.959 -6.247 -7.373 1.00 0.00 H new ATOM 1129 N VAL A 76 73.329 -3.537 -5.092 1.00 0.00 N ATOM 1130 CA VAL A 76 73.095 -3.291 -3.663 1.00 0.00 C ATOM 1131 C VAL A 76 72.205 -4.391 -3.092 1.00 0.00 C ATOM 1132 O VAL A 76 71.157 -4.705 -3.657 1.00 0.00 O ATOM 1133 CB VAL A 76 72.415 -1.926 -3.454 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.713 -1.409 -2.043 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.937 -0.932 -4.491 1.00 0.00 C ATOM 0 H VAL A 76 72.504 -3.427 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 76 74.056 -3.289 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 76 71.337 -2.037 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.230 -0.443 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.332 -2.118 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.790 -1.298 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.455 0.035 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.015 -0.821 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.713 -1.300 -5.492 1.00 0.00 H new ATOM 1145 N SER A 77 72.619 -4.970 -1.972 1.00 0.00 N ATOM 1146 CA SER A 77 71.841 -6.029 -1.343 1.00 0.00 C ATOM 1147 C SER A 77 72.108 -6.078 0.154 1.00 0.00 C ATOM 1148 O SER A 77 73.047 -5.457 0.654 1.00 0.00 O ATOM 1149 CB SER A 77 72.197 -7.377 -1.966 1.00 0.00 C ATOM 1150 OG SER A 77 71.331 -8.375 -1.439 1.00 0.00 O ATOM 0 H SER A 77 73.481 -4.727 -1.484 1.00 0.00 H new ATOM 0 HA SER A 77 70.784 -5.818 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.099 -7.328 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.236 -7.628 -1.751 1.00 0.00 H new ATOM 0 HG SER A 77 70.447 -7.987 -1.274 1.00 0.00 H new ATOM 1156 N PHE A 78 71.271 -6.823 0.867 1.00 0.00 N ATOM 1157 CA PHE A 78 71.409 -6.959 2.313 1.00 0.00 C ATOM 1158 C PHE A 78 70.969 -8.356 2.753 1.00 0.00 C ATOM 1159 O PHE A 78 70.123 -8.978 2.111 1.00 0.00 O ATOM 1160 CB PHE A 78 70.573 -5.881 3.002 1.00 0.00 C ATOM 1161 CG PHE A 78 69.127 -6.008 2.588 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.664 -5.343 1.441 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.246 -6.777 3.353 1.00 0.00 C ATOM 1164 CE1 PHE A 78 67.322 -5.458 1.060 1.00 0.00 C ATOM 1165 CE2 PHE A 78 66.904 -6.893 2.970 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.442 -6.229 1.827 1.00 0.00 C ATOM 0 H PHE A 78 70.489 -7.342 0.468 1.00 0.00 H new ATOM 0 HA PHE A 78 72.453 -6.830 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.660 -5.978 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 78 70.950 -4.893 2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 78 69.343 -4.743 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.600 -7.282 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.966 -4.952 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.225 -7.495 3.556 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.405 -6.312 1.537 1.00 0.00 H new ATOM 1176 N HIS A 79 71.563 -8.858 3.841 1.00 0.00 N ATOM 1177 CA HIS A 79 71.240 -10.203 4.336 1.00 0.00 C ATOM 1178 C HIS A 79 70.893 -10.186 5.823 1.00 0.00 C ATOM 1179 O HIS A 79 71.524 -9.484 6.616 1.00 0.00 O ATOM 1180 CB HIS A 79 72.442 -11.123 4.118 1.00 0.00 C ATOM 1181 CG HIS A 79 72.782 -11.171 2.652 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.058 -11.932 1.752 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.768 -10.559 1.918 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.612 -11.765 0.538 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.658 -10.935 0.583 1.00 0.00 N ATOM 0 H HIS A 79 72.263 -8.360 4.392 1.00 0.00 H new ATOM 0 HA HIS A 79 70.372 -10.565 3.785 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.298 -10.761 4.688 1.00 0.00 H new ATOM 0 HB3 HIS A 79 72.216 -12.125 4.482 1.00 0.00 H new ATOM 0 HD2 HIS A 79 74.515 -9.888 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 79 72.255 -12.243 -0.362 1.00 0.00 H new ATOM 0 HE2 HIS A 79 74.249 -10.640 -0.194 1.00 0.00 H new ATOM 1193 N VAL A 80 69.887 -10.983 6.189 1.00 0.00 N ATOM 1194 CA VAL A 80 69.442 -11.094 7.583 1.00 0.00 C ATOM 1195 C VAL A 80 69.361 -12.563 7.989 1.00 0.00 C ATOM 1196 O VAL A 80 68.835 -13.394 7.249 1.00 0.00 O ATOM 1197 CB VAL A 80 68.072 -10.424 7.760 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.856 -10.041 9.235 1.00 0.00 C ATOM 1199 CG2 VAL A 80 68.005 -9.175 6.879 1.00 0.00 C ATOM 0 H VAL A 80 69.361 -11.565 5.536 1.00 0.00 H new ATOM 0 HA VAL A 80 70.164 -10.587 8.223 1.00 0.00 H new ATOM 0 HB VAL A 80 67.288 -11.121 7.464 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.881 -9.567 9.349 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.898 -10.938 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.636 -9.347 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.034 -8.695 7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.792 -8.480 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.141 -9.458 5.835 1.00 0.00 H new ATOM 1209 N GLY A 81 69.895 -12.877 9.158 1.00 0.00 N ATOM 1210 CA GLY A 81 69.892 -14.252 9.644 1.00 0.00 C ATOM 1211 C GLY A 81 68.506 -14.889 9.541 1.00 0.00 C ATOM 1212 O GLY A 81 68.352 -16.088 9.780 1.00 0.00 O ATOM 0 H GLY A 81 70.334 -12.205 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.606 -14.842 9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.224 -14.271 10.682 1.00 0.00 H new ATOM 1216 N THR A 82 67.496 -14.089 9.187 1.00 0.00 N ATOM 1217 CA THR A 82 66.124 -14.602 9.063 1.00 0.00 C ATOM 1218 C THR A 82 65.704 -14.688 7.597 1.00 0.00 C ATOM 1219 O THR A 82 65.100 -15.673 7.172 1.00 0.00 O ATOM 1220 CB THR A 82 65.155 -13.690 9.816 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.047 -12.448 9.138 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.675 -13.458 11.234 1.00 0.00 C ATOM 0 H THR A 82 67.598 -13.095 8.983 1.00 0.00 H new ATOM 0 HA THR A 82 66.096 -15.603 9.494 1.00 0.00 H new ATOM 0 HB THR A 82 64.173 -14.161 9.862 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.116 -12.303 8.868 1.00 0.00 H new ATOM 0 HG21 THR A 82 64.985 -12.808 11.773 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.754 -14.413 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 82 66.657 -12.987 11.189 1.00 0.00 H new ATOM 1230 N CYS A 83 66.023 -13.651 6.827 1.00 0.00 N ATOM 1231 CA CYS A 83 65.673 -13.627 5.407 1.00 0.00 C ATOM 1232 C CYS A 83 66.635 -12.730 4.640 1.00 0.00 C ATOM 1233 O CYS A 83 67.232 -11.821 5.213 1.00 0.00 O ATOM 1234 CB CYS A 83 64.241 -13.124 5.229 1.00 0.00 C ATOM 1235 SG CYS A 83 63.686 -13.471 3.543 1.00 0.00 S ATOM 0 H CYS A 83 66.519 -12.823 7.157 1.00 0.00 H new ATOM 0 HA CYS A 83 65.747 -14.641 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.581 -13.610 5.948 1.00 0.00 H new ATOM 0 HB3 CYS A 83 64.193 -12.053 5.426 1.00 0.00 H new ATOM 0 HG CYS A 83 62.467 -13.046 3.391 1.00 0.00 H new ATOM 1241 N SER A 84 66.791 -12.997 3.340 1.00 0.00 N ATOM 1242 CA SER A 84 67.703 -12.216 2.501 1.00 0.00 C ATOM 1243 C SER A 84 67.024 -11.754 1.212 1.00 0.00 C ATOM 1244 O SER A 84 66.038 -12.344 0.768 1.00 0.00 O ATOM 1245 CB SER A 84 68.925 -13.061 2.164 1.00 0.00 C ATOM 1246 OG SER A 84 69.709 -13.229 3.339 1.00 0.00 O ATOM 0 H SER A 84 66.300 -13.744 2.848 1.00 0.00 H new ATOM 0 HA SER A 84 68.002 -11.328 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.616 -14.031 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.514 -12.578 1.384 1.00 0.00 H new ATOM 0 HG SER A 84 70.615 -12.890 3.179 1.00 0.00 H new ATOM 1252 N SER A 85 67.563 -10.686 0.626 1.00 0.00 N ATOM 1253 CA SER A 85 67.014 -10.127 -0.607 1.00 0.00 C ATOM 1254 C SER A 85 68.091 -9.370 -1.389 1.00 0.00 C ATOM 1255 O SER A 85 69.087 -8.930 -0.815 1.00 0.00 O ATOM 1256 CB SER A 85 65.868 -9.176 -0.265 1.00 0.00 C ATOM 1257 OG SER A 85 65.509 -8.435 -1.424 1.00 0.00 O ATOM 0 H SER A 85 68.379 -10.191 0.986 1.00 0.00 H new ATOM 0 HA SER A 85 66.647 -10.945 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.010 -9.740 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.169 -8.499 0.535 1.00 0.00 H new ATOM 0 HG SER A 85 65.097 -7.587 -1.156 1.00 0.00 H new ATOM 1263 N GLU A 86 67.882 -9.220 -2.705 1.00 0.00 N ATOM 1264 CA GLU A 86 68.840 -8.511 -3.564 1.00 0.00 C ATOM 1265 C GLU A 86 68.162 -7.414 -4.380 1.00 0.00 C ATOM 1266 O GLU A 86 66.947 -7.422 -4.580 1.00 0.00 O ATOM 1267 CB GLU A 86 69.525 -9.489 -4.520 1.00 0.00 C ATOM 1268 CG GLU A 86 70.449 -10.415 -3.732 1.00 0.00 C ATOM 1269 CD GLU A 86 71.100 -11.428 -4.665 1.00 0.00 C ATOM 1270 OE1 GLU A 86 71.755 -12.327 -4.163 1.00 0.00 O ATOM 1271 OE2 GLU A 86 70.947 -11.284 -5.868 1.00 0.00 O1- ATOM 0 H GLU A 86 67.062 -9.578 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 86 69.580 -8.051 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 86 68.777 -10.074 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.096 -8.941 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 71.217 -9.830 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 86 69.882 -10.934 -2.959 1.00 0.00 H new ATOM 1278 N ALA A 87 68.977 -6.473 -4.850 1.00 0.00 N ATOM 1279 CA ALA A 87 68.492 -5.356 -5.653 1.00 0.00 C ATOM 1280 C ALA A 87 69.593 -4.904 -6.613 1.00 0.00 C ATOM 1281 O ALA A 87 70.780 -5.011 -6.296 1.00 0.00 O ATOM 1282 CB ALA A 87 68.081 -4.200 -4.736 1.00 0.00 C ATOM 0 H ALA A 87 69.984 -6.463 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 87 67.623 -5.671 -6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.719 -3.368 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.289 -4.532 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.942 -3.876 -4.150 1.00 0.00 H new ATOM 1288 N GLN A 88 69.204 -4.423 -7.798 1.00 0.00 N ATOM 1289 CA GLN A 88 70.180 -3.991 -8.810 1.00 0.00 C ATOM 1290 C GLN A 88 70.060 -2.510 -9.141 1.00 0.00 C ATOM 1291 O GLN A 88 68.960 -1.971 -9.280 1.00 0.00 O ATOM 1292 CB GLN A 88 69.979 -4.801 -10.091 1.00 0.00 C ATOM 1293 CG GLN A 88 70.424 -6.243 -9.844 1.00 0.00 C ATOM 1294 CD GLN A 88 70.209 -7.087 -11.093 1.00 0.00 C ATOM 1295 OE1 GLN A 88 70.596 -6.689 -12.191 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.617 -8.244 -10.987 1.00 0.00 N ATOM 0 H GLN A 88 68.229 -4.322 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 88 71.173 -4.161 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.931 -4.777 -10.391 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.555 -4.364 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.477 -6.262 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.863 -6.666 -9.011 1.00 0.00 H new ATOM 0 HE21 GLN A 88 69.297 -8.572 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.474 -8.821 -11.816 1.00 0.00 H new ATOM 1305 N LEU A 89 71.219 -1.868 -9.300 1.00 0.00 N ATOM 1306 CA LEU A 89 71.281 -0.450 -9.658 1.00 0.00 C ATOM 1307 C LEU A 89 72.023 -0.315 -10.984 1.00 0.00 C ATOM 1308 O LEU A 89 73.247 -0.478 -11.045 1.00 0.00 O ATOM 1309 CB LEU A 89 72.020 0.343 -8.565 1.00 0.00 C ATOM 1310 CG LEU A 89 71.641 1.832 -8.641 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.321 2.599 -7.494 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.083 2.424 -9.990 1.00 0.00 C ATOM 0 H LEU A 89 72.131 -2.310 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 89 70.271 -0.051 -9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.766 -0.055 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.097 0.228 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 89 70.559 1.926 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 89 72.051 3.653 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.992 2.191 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.403 2.497 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.809 3.478 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.164 2.325 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.590 1.889 -10.801 1.00 0.00 H new ATOM 1324 N LYS A 90 71.274 -0.020 -12.044 1.00 0.00 N ATOM 1325 CA LYS A 90 71.853 0.133 -13.379 1.00 0.00 C ATOM 1326 C LYS A 90 71.790 1.583 -13.829 1.00 0.00 C ATOM 1327 O LYS A 90 71.009 2.375 -13.300 1.00 0.00 O ATOM 1328 CB LYS A 90 71.108 -0.756 -14.386 1.00 0.00 C ATOM 1329 CG LYS A 90 69.623 -0.380 -14.431 1.00 0.00 C ATOM 1330 CD LYS A 90 68.899 -1.303 -15.416 1.00 0.00 C ATOM 1331 CE LYS A 90 67.412 -0.943 -15.465 1.00 0.00 C ATOM 1332 NZ LYS A 90 66.716 -1.830 -16.444 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.264 0.118 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 90 72.898 -0.174 -13.334 1.00 0.00 H new ATOM 0 HB2 LYS A 90 71.549 -0.643 -15.377 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.216 -1.804 -14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 90 69.182 -0.471 -13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 90 69.508 0.660 -14.737 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.339 -1.208 -16.409 1.00 0.00 H new ATOM 0 HD3 LYS A 90 69.021 -2.343 -15.112 1.00 0.00 H new ATOM 0 HE2 LYS A 90 66.967 -1.055 -14.476 1.00 0.00 H new ATOM 0 HE3 LYS A 90 67.289 0.101 -15.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 65.706 -1.585 -16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 67.134 -1.702 -17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 66.822 -2.822 -16.150 1.00 0.00 H new ATOM 1346 N VAL A 91 72.624 1.924 -14.809 1.00 0.00 N ATOM 1347 CA VAL A 91 72.676 3.284 -15.338 1.00 0.00 C ATOM 1348 C VAL A 91 72.119 3.310 -16.760 1.00 0.00 C ATOM 1349 O VAL A 91 72.487 2.483 -17.591 1.00 0.00 O ATOM 1350 CB VAL A 91 74.128 3.772 -15.344 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.696 3.700 -13.921 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.964 2.881 -16.271 1.00 0.00 C ATOM 0 H VAL A 91 73.274 1.275 -15.253 1.00 0.00 H new ATOM 0 HA VAL A 91 72.074 3.939 -14.708 1.00 0.00 H new ATOM 0 HB VAL A 91 74.163 4.802 -15.700 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.729 4.047 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.103 4.332 -13.260 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.660 2.670 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.997 3.228 -16.275 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.929 1.851 -15.915 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.561 2.929 -17.283 1.00 0.00 H new ATOM 1362 N THR A 92 71.216 4.259 -17.024 1.00 0.00 N ATOM 1363 CA THR A 92 70.592 4.389 -18.345 1.00 0.00 C ATOM 1364 C THR A 92 71.042 5.682 -19.017 1.00 0.00 C ATOM 1365 O THR A 92 70.948 6.762 -18.430 1.00 0.00 O ATOM 1366 CB THR A 92 69.068 4.395 -18.193 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.648 3.171 -17.609 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.407 4.557 -19.564 1.00 0.00 C ATOM 0 H THR A 92 70.901 4.948 -16.341 1.00 0.00 H new ATOM 0 HA THR A 92 70.896 3.545 -18.964 1.00 0.00 H new ATOM 0 HB THR A 92 68.775 5.228 -17.554 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.673 3.174 -17.509 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.323 4.560 -19.447 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.726 5.497 -20.013 1.00 0.00 H new ATOM 0 HG23 THR A 92 68.700 3.729 -20.209 1.00 0.00 H new