USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 50 GLN : amide:sc= -0.215 X(o=-1.3,f=-0.92) USER MOD Set 1.2: A 81 MET CE :methyl 138:sc= -1.07 (180deg=-2.37!) USER MOD Set 2.1: A 35 CYS SG : rot -125:sc= 0.241 USER MOD Set 2.2: A 69 SER OG : rot -82:sc= 0.792 USER MOD Set 2.3: A 71 THR OG1 : rot 145:sc= 1.35 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.487 K(o=-0.49,f=0.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 16 GLN : amide:sc= -0.0604 K(o=-0.06,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.293 (180deg=-0.772) USER MOD Single : A 18 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.061) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00609 X(o=-0.0061,f=-0.0036) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -92:sc= 0.293 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 152:sc= -3.18! (180deg=-5.52!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0557 K(o=-0.056,f=-2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.813 USER MOD Single : A 58 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.52) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 145:sc= -2.41! (180deg=-7.16!) USER MOD Single : A 84 CYS SG : rot 66:sc= 0.0322 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.712 -2.347 -18.129 1.00 0.00 N ATOM 47 CA ILE A 4 7.908 -3.432 -17.557 1.00 0.00 C ATOM 48 C ILE A 4 6.444 -3.000 -17.412 1.00 0.00 C ATOM 49 O ILE A 4 5.542 -3.834 -17.421 1.00 0.00 O ATOM 50 CB ILE A 4 8.445 -3.883 -16.182 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.070 -2.858 -15.089 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.969 -4.064 -16.242 1.00 0.00 C ATOM 53 CD1 ILE A 4 8.943 -1.599 -15.187 1.00 0.00 C ATOM 0 HA ILE A 4 7.976 -4.275 -18.245 1.00 0.00 H new ATOM 0 HB ILE A 4 7.987 -4.839 -15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.020 -2.584 -15.188 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.190 -3.311 -14.105 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.336 -4.382 -15.266 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.217 -4.820 -16.987 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.437 -3.118 -16.515 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.656 -0.896 -14.405 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.991 -1.872 -15.063 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.803 -1.134 -16.163 1.00 0.00 H new ATOM 65 N TYR A 5 6.226 -1.686 -17.281 1.00 0.00 N ATOM 66 CA TYR A 5 4.871 -1.145 -17.140 1.00 0.00 C ATOM 67 C TYR A 5 4.079 -1.339 -18.431 1.00 0.00 C ATOM 68 O TYR A 5 2.867 -1.543 -18.402 1.00 0.00 O ATOM 69 CB TYR A 5 4.918 0.352 -16.813 1.00 0.00 C ATOM 70 CG TYR A 5 5.847 0.590 -15.645 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.587 -0.016 -14.412 1.00 0.00 C ATOM 72 CD2 TYR A 5 6.969 1.411 -15.798 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.448 0.197 -13.331 1.00 0.00 C ATOM 74 CE2 TYR A 5 7.830 1.625 -14.717 1.00 0.00 C ATOM 75 CZ TYR A 5 7.570 1.018 -13.482 1.00 0.00 C ATOM 76 OH TYR A 5 8.420 1.230 -12.416 1.00 0.00 O ATOM 0 H TYR A 5 6.965 -0.983 -17.270 1.00 0.00 H new ATOM 0 HA TYR A 5 4.383 -1.682 -16.326 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.260 0.913 -17.682 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.918 0.713 -16.574 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.720 -0.649 -14.294 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.170 1.879 -16.750 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.247 -0.273 -12.379 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.696 2.259 -14.835 1.00 0.00 H new ATOM 0 HH TYR A 5 9.149 1.824 -12.692 1.00 0.00 H new ATOM 86 N LYS A 6 4.785 -1.279 -19.562 1.00 0.00 N ATOM 87 CA LYS A 6 4.144 -1.455 -20.871 1.00 0.00 C ATOM 88 C LYS A 6 3.912 -2.935 -21.148 1.00 0.00 C ATOM 89 O LYS A 6 2.902 -3.323 -21.736 1.00 0.00 O ATOM 90 CB LYS A 6 5.013 -0.864 -21.992 1.00 0.00 C ATOM 91 CG LYS A 6 5.561 0.505 -21.571 1.00 0.00 C ATOM 92 CD LYS A 6 4.437 1.351 -20.961 1.00 0.00 C ATOM 93 CE LYS A 6 5.026 2.628 -20.355 1.00 0.00 C ATOM 94 NZ LYS A 6 4.014 3.723 -20.410 1.00 0.00 N ATOM 0 H LYS A 6 5.790 -1.112 -19.601 1.00 0.00 H new ATOM 0 HA LYS A 6 3.189 -0.930 -20.849 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.838 -1.540 -22.218 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.424 -0.764 -22.904 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.366 0.377 -20.847 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.986 1.017 -22.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.703 1.604 -21.726 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.914 0.780 -20.194 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.325 2.448 -19.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.923 2.921 -20.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.417 4.589 -19.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.749 3.901 -21.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.170 3.443 -19.871 1.00 0.00 H new ATOM 108 N ALA A 7 4.860 -3.756 -20.704 1.00 0.00 N ATOM 109 CA ALA A 7 4.760 -5.203 -20.889 1.00 0.00 C ATOM 110 C ALA A 7 3.764 -5.811 -19.892 1.00 0.00 C ATOM 111 O ALA A 7 3.168 -6.856 -20.159 1.00 0.00 O ATOM 112 CB ALA A 7 6.127 -5.860 -20.688 1.00 0.00 C ATOM 0 H ALA A 7 5.701 -3.448 -20.217 1.00 0.00 H new ATOM 0 HA ALA A 7 4.410 -5.387 -21.905 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.037 -6.937 -20.829 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.834 -5.457 -21.413 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.485 -5.655 -19.679 1.00 0.00 H new ATOM 118 N ALA A 8 3.596 -5.148 -18.739 1.00 0.00 N ATOM 119 CA ALA A 8 2.677 -5.633 -17.709 1.00 0.00 C ATOM 120 C ALA A 8 1.258 -5.119 -17.944 1.00 0.00 C ATOM 121 O ALA A 8 0.290 -5.850 -17.731 1.00 0.00 O ATOM 122 CB ALA A 8 3.138 -5.186 -16.322 1.00 0.00 C ATOM 0 H ALA A 8 4.081 -4.283 -18.501 1.00 0.00 H new ATOM 0 HA ALA A 8 2.676 -6.722 -17.765 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.441 -5.557 -15.570 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.133 -5.585 -16.123 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.169 -4.097 -16.282 1.00 0.00 H new ATOM 128 N VAL A 9 1.140 -3.857 -18.381 1.00 0.00 N ATOM 129 CA VAL A 9 -0.179 -3.264 -18.637 1.00 0.00 C ATOM 130 C VAL A 9 -0.971 -4.104 -19.646 1.00 0.00 C ATOM 131 O VAL A 9 -2.198 -4.197 -19.561 1.00 0.00 O ATOM 132 CB VAL A 9 -0.037 -1.820 -19.145 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.395 -1.809 -20.614 1.00 0.00 C ATOM 134 CG2 VAL A 9 -1.379 -1.099 -19.008 1.00 0.00 C ATOM 0 H VAL A 9 1.929 -3.236 -18.562 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.727 -3.250 -17.695 1.00 0.00 H new ATOM 0 HB VAL A 9 0.722 -1.312 -18.550 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.491 -0.779 -20.957 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.355 -2.316 -20.715 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.353 -2.324 -21.217 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.280 -0.075 -19.368 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.134 -1.620 -19.598 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.681 -1.088 -17.961 1.00 0.00 H new ATOM 144 N GLU A 10 -0.254 -4.728 -20.590 1.00 0.00 N ATOM 145 CA GLU A 10 -0.896 -5.574 -21.596 1.00 0.00 C ATOM 146 C GLU A 10 -1.511 -6.814 -20.938 1.00 0.00 C ATOM 147 O GLU A 10 -2.503 -7.359 -21.426 1.00 0.00 O ATOM 148 CB GLU A 10 0.120 -6.023 -22.650 1.00 0.00 C ATOM 149 CG GLU A 10 0.314 -4.910 -23.683 1.00 0.00 C ATOM 150 CD GLU A 10 1.505 -5.243 -24.577 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.610 -4.859 -24.229 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.294 -5.879 -25.597 1.00 0.00 O ATOM 0 H GLU A 10 0.760 -4.662 -20.675 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.680 -4.988 -22.075 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.071 -6.261 -22.174 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.228 -6.932 -23.141 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.587 -4.799 -24.287 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.479 -3.958 -23.179 1.00 0.00 H new ATOM 159 N GLN A 11 -0.914 -7.249 -19.819 1.00 0.00 N ATOM 160 CA GLN A 11 -1.413 -8.420 -19.096 1.00 0.00 C ATOM 161 C GLN A 11 -2.605 -8.041 -18.215 1.00 0.00 C ATOM 162 O GLN A 11 -3.535 -8.829 -18.039 1.00 0.00 O ATOM 163 CB GLN A 11 -0.316 -9.036 -18.210 1.00 0.00 C ATOM 164 CG GLN A 11 1.038 -9.041 -18.941 1.00 0.00 C ATOM 165 CD GLN A 11 0.873 -9.551 -20.374 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.356 -8.926 -21.319 1.00 0.00 O ATOM 167 NE2 GLN A 11 0.215 -10.655 -20.595 1.00 0.00 N ATOM 0 H GLN A 11 -0.093 -6.811 -19.401 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.724 -9.153 -19.841 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.231 -8.470 -17.282 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.591 -10.055 -17.938 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.455 -8.034 -18.953 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.746 -9.672 -18.403 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.186 -11.175 -19.814 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.101 -10.999 -21.549 1.00 0.00 H new ATOM 176 N LEU A 12 -2.563 -6.823 -17.663 1.00 0.00 N ATOM 177 CA LEU A 12 -3.642 -6.340 -16.800 1.00 0.00 C ATOM 178 C LEU A 12 -4.880 -5.999 -17.631 1.00 0.00 C ATOM 179 O LEU A 12 -4.781 -5.679 -18.818 1.00 0.00 O ATOM 180 CB LEU A 12 -3.211 -5.089 -16.022 1.00 0.00 C ATOM 181 CG LEU A 12 -1.773 -5.088 -15.485 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.625 -3.995 -14.424 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.445 -6.449 -14.860 1.00 0.00 C ATOM 0 H LEU A 12 -1.800 -6.160 -17.798 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.877 -7.137 -16.095 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.335 -4.222 -16.671 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.891 -4.957 -15.181 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.086 -4.897 -16.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.604 -3.994 -14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.847 -3.025 -14.868 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.318 -4.187 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.423 -6.439 -14.482 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.134 -6.648 -14.039 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.545 -7.229 -15.614 1.00 0.00 H new ATOM 195 N THR A 13 -6.045 -6.072 -16.988 1.00 0.00 N ATOM 196 CA THR A 13 -7.309 -5.770 -17.667 1.00 0.00 C ATOM 197 C THR A 13 -7.881 -4.440 -17.183 1.00 0.00 C ATOM 198 O THR A 13 -7.420 -3.868 -16.192 1.00 0.00 O ATOM 199 CB THR A 13 -8.349 -6.874 -17.409 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.057 -7.541 -16.187 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.326 -7.880 -18.561 1.00 0.00 C ATOM 0 H THR A 13 -6.142 -6.335 -16.007 1.00 0.00 H new ATOM 0 HA THR A 13 -7.097 -5.711 -18.734 1.00 0.00 H new ATOM 0 HB THR A 13 -9.339 -6.422 -17.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.724 -8.241 -16.029 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.063 -8.661 -18.377 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.564 -7.370 -19.494 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.334 -8.327 -18.634 1.00 0.00 H new ATOM 209 N ASP A 14 -8.908 -3.966 -17.893 1.00 0.00 N ATOM 210 CA ASP A 14 -9.571 -2.709 -17.534 1.00 0.00 C ATOM 211 C ASP A 14 -10.188 -2.813 -16.139 1.00 0.00 C ATOM 212 O ASP A 14 -10.264 -1.824 -15.410 1.00 0.00 O ATOM 213 CB ASP A 14 -10.679 -2.379 -18.539 1.00 0.00 C ATOM 214 CG ASP A 14 -10.058 -1.968 -19.871 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.750 -0.796 -20.023 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.900 -2.830 -20.720 1.00 0.00 O ATOM 0 H ASP A 14 -9.297 -4.430 -18.714 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.820 -1.919 -17.547 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.326 -3.245 -18.680 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.304 -1.574 -18.154 1.00 0.00 H new ATOM 221 N GLU A 15 -10.624 -4.028 -15.781 1.00 0.00 N ATOM 222 CA GLU A 15 -11.233 -4.269 -14.467 1.00 0.00 C ATOM 223 C GLU A 15 -10.263 -3.904 -13.340 1.00 0.00 C ATOM 224 O GLU A 15 -10.662 -3.315 -12.335 1.00 0.00 O ATOM 225 CB GLU A 15 -11.626 -5.743 -14.321 1.00 0.00 C ATOM 226 CG GLU A 15 -13.089 -5.930 -14.730 1.00 0.00 C ATOM 227 CD GLU A 15 -13.996 -5.667 -13.529 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.334 -4.516 -13.307 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.338 -6.622 -12.851 1.00 0.00 O ATOM 0 H GLU A 15 -10.567 -4.853 -16.378 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.121 -3.642 -14.396 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.982 -6.364 -14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.482 -6.067 -13.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.339 -5.249 -15.543 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.246 -6.942 -15.102 1.00 0.00 H new ATOM 236 N GLN A 16 -8.987 -4.262 -13.521 1.00 0.00 N ATOM 237 CA GLN A 16 -7.962 -3.971 -12.513 1.00 0.00 C ATOM 238 C GLN A 16 -7.836 -2.464 -12.280 1.00 0.00 C ATOM 239 O GLN A 16 -7.861 -2.000 -11.140 1.00 0.00 O ATOM 240 CB GLN A 16 -6.598 -4.515 -12.956 1.00 0.00 C ATOM 241 CG GLN A 16 -6.415 -5.940 -12.429 1.00 0.00 C ATOM 242 CD GLN A 16 -4.951 -6.355 -12.571 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.048 -5.617 -12.175 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.660 -7.505 -13.116 1.00 0.00 N ATOM 0 H GLN A 16 -8.642 -4.749 -14.348 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.269 -4.457 -11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.529 -4.508 -14.044 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.801 -3.873 -12.581 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.719 -5.994 -11.384 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.054 -6.628 -12.983 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.407 -8.117 -13.444 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.686 -7.791 -13.213 1.00 0.00 H new ATOM 253 N LYS A 17 -7.703 -1.710 -13.374 1.00 0.00 N ATOM 254 CA LYS A 17 -7.572 -0.253 -13.282 1.00 0.00 C ATOM 255 C LYS A 17 -8.884 0.397 -12.831 1.00 0.00 C ATOM 256 O LYS A 17 -8.874 1.467 -12.219 1.00 0.00 O ATOM 257 CB LYS A 17 -7.157 0.338 -14.633 1.00 0.00 C ATOM 258 CG LYS A 17 -5.630 0.455 -14.687 1.00 0.00 C ATOM 259 CD LYS A 17 -5.033 -0.838 -15.256 1.00 0.00 C ATOM 260 CE LYS A 17 -4.946 -0.737 -16.782 1.00 0.00 C ATOM 261 NZ LYS A 17 -3.804 0.144 -17.163 1.00 0.00 N ATOM 0 H LYS A 17 -7.683 -2.079 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.802 -0.043 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.514 -0.296 -15.445 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.613 1.318 -14.770 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.342 1.304 -15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.234 0.641 -13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.042 -1.008 -14.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.650 -1.691 -14.973 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.813 -1.729 -17.215 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.877 -0.336 -17.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.597 0.026 -18.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.052 1.136 -16.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.965 -0.115 -16.606 1.00 0.00 H new ATOM 275 N ASN A 18 -10.013 -0.263 -13.124 1.00 0.00 N ATOM 276 CA ASN A 18 -11.320 0.259 -12.727 1.00 0.00 C ATOM 277 C ASN A 18 -11.463 0.175 -11.205 1.00 0.00 C ATOM 278 O ASN A 18 -11.917 1.121 -10.558 1.00 0.00 O ATOM 279 CB ASN A 18 -12.440 -0.532 -13.431 1.00 0.00 C ATOM 280 CG ASN A 18 -13.605 -0.804 -12.481 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.477 0.045 -12.293 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.667 -1.954 -11.870 1.00 0.00 N ATOM 0 H ASN A 18 -10.044 -1.149 -13.629 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.403 1.304 -13.027 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.796 0.028 -14.296 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.043 -1.476 -13.804 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.439 -2.153 -11.234 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.943 -2.655 -12.028 1.00 0.00 H new ATOM 289 N GLU A 19 -11.050 -0.967 -10.645 1.00 0.00 N ATOM 290 CA GLU A 19 -11.110 -1.169 -9.194 1.00 0.00 C ATOM 291 C GLU A 19 -10.090 -0.267 -8.508 1.00 0.00 C ATOM 292 O GLU A 19 -10.376 0.342 -7.480 1.00 0.00 O ATOM 293 CB GLU A 19 -10.801 -2.624 -8.824 1.00 0.00 C ATOM 294 CG GLU A 19 -11.821 -3.554 -9.482 1.00 0.00 C ATOM 295 CD GLU A 19 -13.113 -3.565 -8.668 1.00 0.00 C ATOM 296 OE1 GLU A 19 -13.212 -4.376 -7.762 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.984 -2.761 -8.964 1.00 0.00 O ATOM 0 H GLU A 19 -10.674 -1.758 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.120 -0.925 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.794 -2.885 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.828 -2.747 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.025 -3.223 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.415 -4.563 -9.551 1.00 0.00 H new ATOM 304 N PHE A 20 -8.895 -0.195 -9.103 1.00 0.00 N ATOM 305 CA PHE A 20 -7.811 0.632 -8.568 1.00 0.00 C ATOM 306 C PHE A 20 -8.227 2.102 -8.489 1.00 0.00 C ATOM 307 O PHE A 20 -7.952 2.780 -7.499 1.00 0.00 O ATOM 308 CB PHE A 20 -6.569 0.521 -9.462 1.00 0.00 C ATOM 309 CG PHE A 20 -5.730 -0.675 -9.062 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.317 -1.782 -8.431 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.358 -0.671 -9.326 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.531 -2.878 -8.067 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.571 -1.767 -8.963 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.157 -2.872 -8.333 1.00 0.00 C ATOM 0 H PHE A 20 -8.655 -0.700 -9.956 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.584 0.270 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.872 0.427 -10.505 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.975 1.432 -9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.377 -1.787 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.905 0.181 -9.812 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.983 -3.730 -7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.511 -1.762 -9.168 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.549 -3.719 -8.053 1.00 0.00 H new ATOM 324 N LYS A 21 -8.889 2.585 -9.547 1.00 0.00 N ATOM 325 CA LYS A 21 -9.335 3.981 -9.594 1.00 0.00 C ATOM 326 C LYS A 21 -10.330 4.274 -8.471 1.00 0.00 C ATOM 327 O LYS A 21 -10.139 5.208 -7.692 1.00 0.00 O ATOM 328 CB LYS A 21 -9.988 4.294 -10.946 1.00 0.00 C ATOM 329 CG LYS A 21 -10.296 5.794 -11.041 1.00 0.00 C ATOM 330 CD LYS A 21 -9.017 6.602 -10.804 1.00 0.00 C ATOM 331 CE LYS A 21 -9.204 8.027 -11.332 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.920 8.520 -11.910 1.00 0.00 N ATOM 0 H LYS A 21 -9.125 2.036 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.457 4.613 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.324 3.998 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.906 3.717 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.709 6.028 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.051 6.067 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.782 6.626 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.175 6.125 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.986 8.045 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.528 8.685 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.049 9.488 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.185 8.518 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.629 7.898 -12.691 1.00 0.00 H new ATOM 346 N ALA A 22 -11.392 3.467 -8.396 1.00 0.00 N ATOM 347 CA ALA A 22 -12.411 3.651 -7.359 1.00 0.00 C ATOM 348 C ALA A 22 -11.809 3.442 -5.968 1.00 0.00 C ATOM 349 O ALA A 22 -12.076 4.209 -5.045 1.00 0.00 O ATOM 350 CB ALA A 22 -13.562 2.664 -7.554 1.00 0.00 C ATOM 0 H ALA A 22 -11.568 2.689 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.788 4.670 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.308 2.817 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.019 2.826 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.181 1.644 -7.497 1.00 0.00 H new ATOM 356 N ALA A 23 -10.985 2.396 -5.840 1.00 0.00 N ATOM 357 CA ALA A 23 -10.330 2.082 -4.565 1.00 0.00 C ATOM 358 C ALA A 23 -9.419 3.228 -4.117 1.00 0.00 C ATOM 359 O ALA A 23 -9.162 3.395 -2.925 1.00 0.00 O ATOM 360 CB ALA A 23 -9.492 0.806 -4.691 1.00 0.00 C ATOM 0 H ALA A 23 -10.756 1.755 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.114 1.936 -3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.014 0.589 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.137 -0.027 -4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.728 0.947 -5.456 1.00 0.00 H new ATOM 366 N PHE A 24 -8.934 4.017 -5.082 1.00 0.00 N ATOM 367 CA PHE A 24 -8.060 5.142 -4.766 1.00 0.00 C ATOM 368 C PHE A 24 -8.893 6.378 -4.420 1.00 0.00 C ATOM 369 O PHE A 24 -8.718 6.978 -3.361 1.00 0.00 O ATOM 370 CB PHE A 24 -7.146 5.464 -5.959 1.00 0.00 C ATOM 371 CG PHE A 24 -5.883 6.142 -5.477 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.810 5.373 -5.009 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.784 7.539 -5.498 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.640 6.001 -4.563 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.614 8.166 -5.052 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.544 7.397 -4.584 1.00 0.00 C ATOM 0 H PHE A 24 -9.131 3.896 -6.075 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.446 4.866 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.895 4.547 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.669 6.110 -6.664 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.885 4.296 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.611 8.133 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.812 5.408 -4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.538 9.243 -5.069 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.642 7.881 -4.238 1.00 0.00 H new ATOM 386 N ASP A 25 -9.798 6.747 -5.334 1.00 0.00 N ATOM 387 CA ASP A 25 -10.658 7.925 -5.145 1.00 0.00 C ATOM 388 C ASP A 25 -11.405 7.902 -3.809 1.00 0.00 C ATOM 389 O ASP A 25 -11.541 8.940 -3.158 1.00 0.00 O ATOM 390 CB ASP A 25 -11.683 8.025 -6.279 1.00 0.00 C ATOM 391 CG ASP A 25 -11.061 8.752 -7.466 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.416 8.096 -8.267 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.238 9.956 -7.557 1.00 0.00 O ATOM 0 H ASP A 25 -9.955 6.249 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.997 8.792 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.007 7.029 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.569 8.559 -5.936 1.00 0.00 H new ATOM 398 N ILE A 26 -11.897 6.723 -3.404 1.00 0.00 N ATOM 399 CA ILE A 26 -12.635 6.610 -2.136 1.00 0.00 C ATOM 400 C ILE A 26 -11.794 7.123 -0.961 1.00 0.00 C ATOM 401 O ILE A 26 -12.321 7.730 -0.027 1.00 0.00 O ATOM 402 CB ILE A 26 -13.053 5.159 -1.864 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.821 4.243 -1.909 1.00 0.00 C ATOM 404 CG2 ILE A 26 -14.068 4.718 -2.924 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.234 2.799 -1.625 1.00 0.00 C ATOM 0 H ILE A 26 -11.801 5.850 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.530 7.225 -2.230 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.507 5.091 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.344 4.308 -2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.086 4.571 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.368 3.687 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.944 5.365 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.615 4.788 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.355 2.156 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.690 2.739 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.952 2.471 -2.377 1.00 0.00 H new ATOM 417 N PHE A 27 -10.480 6.879 -1.025 1.00 0.00 N ATOM 418 CA PHE A 27 -9.571 7.325 0.032 1.00 0.00 C ATOM 419 C PHE A 27 -9.095 8.762 -0.220 1.00 0.00 C ATOM 420 O PHE A 27 -8.783 9.492 0.723 1.00 0.00 O ATOM 421 CB PHE A 27 -8.351 6.403 0.118 1.00 0.00 C ATOM 422 CG PHE A 27 -8.696 5.179 0.938 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.710 5.253 2.337 1.00 0.00 C ATOM 424 CD2 PHE A 27 -9.001 3.970 0.300 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.030 4.120 3.095 1.00 0.00 C ATOM 426 CE2 PHE A 27 -9.321 2.836 1.059 1.00 0.00 C ATOM 427 CZ PHE A 27 -9.335 2.912 2.456 1.00 0.00 C ATOM 0 H PHE A 27 -10.027 6.380 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.121 7.291 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.036 6.106 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.513 6.933 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.474 6.184 2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.990 3.911 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.042 4.178 4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.557 1.904 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.581 2.039 3.042 1.00 0.00 H new ATOM 437 N ILE A 28 -9.039 9.161 -1.500 1.00 0.00 N ATOM 438 CA ILE A 28 -8.594 10.517 -1.857 1.00 0.00 C ATOM 439 C ILE A 28 -9.789 11.475 -1.964 1.00 0.00 C ATOM 440 O ILE A 28 -9.812 12.370 -2.813 1.00 0.00 O ATOM 441 CB ILE A 28 -7.830 10.506 -3.196 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.834 9.341 -3.246 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.055 11.812 -3.372 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.169 9.136 -1.879 1.00 0.00 C ATOM 0 H ILE A 28 -9.292 8.574 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.929 10.864 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.563 10.393 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.349 8.428 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.072 9.539 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.520 11.792 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.750 12.651 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.342 11.925 -2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.466 8.305 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.635 10.043 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.932 8.915 -1.133 1.00 0.00 H new ATOM 456 N GLN A 29 -10.774 11.291 -1.081 1.00 0.00 N ATOM 457 CA GLN A 29 -11.957 12.161 -1.076 1.00 0.00 C ATOM 458 C GLN A 29 -11.590 13.553 -0.552 1.00 0.00 C ATOM 459 O GLN A 29 -12.165 14.559 -0.972 1.00 0.00 O ATOM 460 CB GLN A 29 -13.092 11.574 -0.218 1.00 0.00 C ATOM 461 CG GLN A 29 -12.543 11.008 1.099 1.00 0.00 C ATOM 462 CD GLN A 29 -13.697 10.731 2.062 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.656 11.142 3.220 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.733 10.048 1.650 1.00 0.00 N ATOM 0 H GLN A 29 -10.779 10.560 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.310 12.236 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.831 12.347 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.603 10.787 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.988 10.090 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.845 11.715 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.769 9.706 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.505 9.857 2.289 1.00 0.00 H new ATOM 473 N ASP A 30 -10.612 13.596 0.360 1.00 0.00 N ATOM 474 CA ASP A 30 -10.150 14.864 0.932 1.00 0.00 C ATOM 475 C ASP A 30 -8.696 14.731 1.396 1.00 0.00 C ATOM 476 O ASP A 30 -8.328 15.178 2.486 1.00 0.00 O ATOM 477 CB ASP A 30 -11.034 15.295 2.115 1.00 0.00 C ATOM 478 CG ASP A 30 -11.484 14.076 2.923 1.00 0.00 C ATOM 479 OD1 ASP A 30 -10.644 13.467 3.565 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.666 13.777 2.888 1.00 0.00 O ATOM 0 H ASP A 30 -10.128 12.772 0.716 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.217 15.628 0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.482 15.981 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.906 15.836 1.747 1.00 0.00 H new ATOM 485 N ALA A 31 -7.873 14.105 0.548 1.00 0.00 N ATOM 486 CA ALA A 31 -6.457 13.904 0.863 1.00 0.00 C ATOM 487 C ALA A 31 -5.692 15.224 0.783 1.00 0.00 C ATOM 488 O ALA A 31 -6.057 16.130 0.028 1.00 0.00 O ATOM 489 CB ALA A 31 -5.830 12.904 -0.108 1.00 0.00 C ATOM 0 H ALA A 31 -8.162 13.731 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.394 13.514 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.778 12.766 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.349 11.948 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.916 13.283 -1.126 1.00 0.00 H new ATOM 495 N GLU A 32 -4.627 15.319 1.581 1.00 0.00 N ATOM 496 CA GLU A 32 -3.801 16.529 1.618 1.00 0.00 C ATOM 497 C GLU A 32 -2.966 16.685 0.343 1.00 0.00 C ATOM 498 O GLU A 32 -2.798 17.796 -0.163 1.00 0.00 O ATOM 499 CB GLU A 32 -2.861 16.507 2.832 1.00 0.00 C ATOM 500 CG GLU A 32 -1.950 15.274 2.781 1.00 0.00 C ATOM 501 CD GLU A 32 -1.109 15.207 4.052 1.00 0.00 C ATOM 502 OE1 GLU A 32 -0.032 15.782 4.058 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.553 14.581 5.001 1.00 0.00 O ATOM 0 H GLU A 32 -4.316 14.577 2.208 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.482 17.376 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.256 17.414 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.445 16.498 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.550 14.370 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.302 15.324 1.906 1.00 0.00 H new ATOM 510 N ASP A 33 -2.438 15.568 -0.166 1.00 0.00 N ATOM 511 CA ASP A 33 -1.616 15.608 -1.378 1.00 0.00 C ATOM 512 C ASP A 33 -2.179 14.691 -2.475 1.00 0.00 C ATOM 513 O ASP A 33 -1.465 14.316 -3.409 1.00 0.00 O ATOM 514 CB ASP A 33 -0.178 15.184 -1.053 1.00 0.00 C ATOM 515 CG ASP A 33 0.559 16.344 -0.387 1.00 0.00 C ATOM 516 OD1 ASP A 33 1.030 17.211 -1.105 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.639 16.349 0.831 1.00 0.00 O ATOM 0 H ASP A 33 -2.562 14.638 0.235 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.627 16.633 -1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.184 14.317 -0.393 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.339 14.887 -1.965 1.00 0.00 H new ATOM 522 N GLY A 34 -3.466 14.337 -2.361 1.00 0.00 N ATOM 523 CA GLY A 34 -4.108 13.468 -3.352 1.00 0.00 C ATOM 524 C GLY A 34 -3.480 12.073 -3.357 1.00 0.00 C ATOM 525 O GLY A 34 -3.172 11.524 -4.416 1.00 0.00 O ATOM 0 H GLY A 34 -4.076 14.636 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.173 13.389 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.018 13.914 -4.343 1.00 0.00 H new ATOM 529 N CYS A 35 -3.293 11.509 -2.161 1.00 0.00 N ATOM 530 CA CYS A 35 -2.698 10.175 -2.034 1.00 0.00 C ATOM 531 C CYS A 35 -3.109 9.519 -0.717 1.00 0.00 C ATOM 532 O CYS A 35 -3.722 10.150 0.147 1.00 0.00 O ATOM 533 CB CYS A 35 -1.166 10.244 -2.094 1.00 0.00 C ATOM 534 SG CYS A 35 -0.594 11.858 -1.503 1.00 0.00 S ATOM 0 H CYS A 35 -3.542 11.949 -1.275 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.065 9.579 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.734 9.450 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.826 10.081 -3.117 1.00 0.00 H new ATOM 0 HG CYS A 35 0.164 12.407 -2.406 1.00 0.00 H new ATOM 540 N ILE A 36 -2.750 8.241 -0.576 1.00 0.00 N ATOM 541 CA ILE A 36 -3.071 7.491 0.640 1.00 0.00 C ATOM 542 C ILE A 36 -1.817 7.302 1.493 1.00 0.00 C ATOM 543 O ILE A 36 -0.731 7.754 1.130 1.00 0.00 O ATOM 544 CB ILE A 36 -3.670 6.116 0.299 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.702 5.324 -0.592 1.00 0.00 C ATOM 546 CG2 ILE A 36 -5.000 6.300 -0.435 1.00 0.00 C ATOM 547 CD1 ILE A 36 -2.160 4.121 0.181 1.00 0.00 C ATOM 0 H ILE A 36 -2.242 7.708 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.809 8.065 1.201 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.836 5.565 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.214 4.989 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.880 5.964 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.421 5.324 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.694 6.848 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.833 6.859 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.473 3.560 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.632 4.467 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.987 3.477 0.478 1.00 0.00 H new ATOM 559 N SER A 37 -1.978 6.630 2.633 1.00 0.00 N ATOM 560 CA SER A 37 -0.853 6.383 3.531 1.00 0.00 C ATOM 561 C SER A 37 -0.227 5.023 3.231 1.00 0.00 C ATOM 562 O SER A 37 -0.933 4.044 2.979 1.00 0.00 O ATOM 563 CB SER A 37 -1.315 6.414 4.991 1.00 0.00 C ATOM 564 OG SER A 37 -0.178 6.459 5.845 1.00 0.00 O ATOM 0 H SER A 37 -2.869 6.250 2.953 1.00 0.00 H new ATOM 0 HA SER A 37 -0.113 7.167 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.949 7.283 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.916 5.532 5.213 1.00 0.00 H new ATOM 0 HG SER A 37 -0.472 6.481 6.780 1.00 0.00 H new ATOM 570 N THR A 38 1.106 4.973 3.274 1.00 0.00 N ATOM 571 CA THR A 38 1.827 3.720 3.021 1.00 0.00 C ATOM 572 C THR A 38 1.378 2.643 4.012 1.00 0.00 C ATOM 573 O THR A 38 1.256 1.469 3.658 1.00 0.00 O ATOM 574 CB THR A 38 3.344 3.919 3.150 1.00 0.00 C ATOM 575 OG1 THR A 38 3.634 4.651 4.333 1.00 0.00 O ATOM 576 CG2 THR A 38 3.866 4.684 1.932 1.00 0.00 C ATOM 0 H THR A 38 1.704 5.774 3.479 1.00 0.00 H new ATOM 0 HA THR A 38 1.598 3.405 2.003 1.00 0.00 H new ATOM 0 HB THR A 38 3.831 2.945 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.673 5.608 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.943 4.825 2.025 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.651 4.117 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.377 5.656 1.876 1.00 0.00 H new ATOM 584 N LYS A 39 1.116 3.066 5.254 1.00 0.00 N ATOM 585 CA LYS A 39 0.656 2.149 6.297 1.00 0.00 C ATOM 586 C LYS A 39 -0.727 1.587 5.957 1.00 0.00 C ATOM 587 O LYS A 39 -1.047 0.443 6.286 1.00 0.00 O ATOM 588 CB LYS A 39 0.570 2.881 7.640 1.00 0.00 C ATOM 589 CG LYS A 39 1.833 2.600 8.446 1.00 0.00 C ATOM 590 CD LYS A 39 1.895 1.107 8.768 1.00 0.00 C ATOM 591 CE LYS A 39 1.613 0.884 10.257 1.00 0.00 C ATOM 592 NZ LYS A 39 0.153 0.650 10.459 1.00 0.00 N ATOM 0 H LYS A 39 1.215 4.035 5.558 1.00 0.00 H new ATOM 0 HA LYS A 39 1.372 1.330 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.459 3.953 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.309 2.550 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.715 2.900 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.830 3.184 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.166 0.565 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.878 0.711 8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.183 0.029 10.622 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.936 1.751 10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.038 0.499 11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.381 1.478 10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.142 -0.190 9.922 1.00 0.00 H new ATOM 606 N GLU A 40 -1.535 2.414 5.294 1.00 0.00 N ATOM 607 CA GLU A 40 -2.892 2.021 4.901 1.00 0.00 C ATOM 608 C GLU A 40 -2.892 1.138 3.642 1.00 0.00 C ATOM 609 O GLU A 40 -3.954 0.706 3.192 1.00 0.00 O ATOM 610 CB GLU A 40 -3.745 3.264 4.625 1.00 0.00 C ATOM 611 CG GLU A 40 -4.439 3.714 5.915 1.00 0.00 C ATOM 612 CD GLU A 40 -5.753 4.411 5.570 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.725 5.611 5.350 1.00 0.00 O ATOM 614 OE2 GLU A 40 -6.767 3.734 5.529 1.00 0.00 O ATOM 0 H GLU A 40 -1.275 3.361 5.017 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.310 1.449 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.118 4.068 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.488 3.043 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.629 2.854 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.791 4.391 6.472 1.00 0.00 H new ATOM 621 N LEU A 41 -1.703 0.864 3.078 1.00 0.00 N ATOM 622 CA LEU A 41 -1.612 0.022 1.882 1.00 0.00 C ATOM 623 C LEU A 41 -2.162 -1.377 2.171 1.00 0.00 C ATOM 624 O LEU A 41 -2.963 -1.910 1.408 1.00 0.00 O ATOM 625 CB LEU A 41 -0.162 -0.100 1.401 1.00 0.00 C ATOM 626 CG LEU A 41 0.009 -0.290 -0.110 1.00 0.00 C ATOM 627 CD1 LEU A 41 1.481 -0.558 -0.429 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.840 -1.476 -0.579 1.00 0.00 C ATOM 0 H LEU A 41 -0.808 1.208 3.427 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.206 0.496 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.381 0.796 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.304 -0.942 1.912 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.316 0.614 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.602 -0.693 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.085 0.288 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.807 -1.460 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.717 -1.609 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.519 -2.380 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.889 -1.283 -0.355 1.00 0.00 H new ATOM 640 N GLY A 42 -1.735 -1.959 3.293 1.00 0.00 N ATOM 641 CA GLY A 42 -2.208 -3.292 3.678 1.00 0.00 C ATOM 642 C GLY A 42 -3.724 -3.299 3.921 1.00 0.00 C ATOM 643 O GLY A 42 -4.354 -4.358 3.916 1.00 0.00 O ATOM 0 H GLY A 42 -1.072 -1.537 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.960 -4.008 2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.692 -3.616 4.581 1.00 0.00 H new ATOM 647 N LYS A 43 -4.300 -2.107 4.135 1.00 0.00 N ATOM 648 CA LYS A 43 -5.737 -1.984 4.380 1.00 0.00 C ATOM 649 C LYS A 43 -6.519 -1.899 3.065 1.00 0.00 C ATOM 650 O LYS A 43 -7.652 -2.377 2.981 1.00 0.00 O ATOM 651 CB LYS A 43 -6.032 -0.728 5.212 1.00 0.00 C ATOM 652 CG LYS A 43 -5.186 -0.733 6.492 1.00 0.00 C ATOM 653 CD LYS A 43 -5.710 -1.800 7.458 1.00 0.00 C ATOM 654 CE LYS A 43 -4.750 -2.993 7.478 1.00 0.00 C ATOM 655 NZ LYS A 43 -5.443 -4.182 8.052 1.00 0.00 N ATOM 0 H LYS A 43 -3.793 -1.222 4.143 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.052 -2.874 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.814 0.165 4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.091 -0.692 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.142 -0.932 6.248 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.221 0.248 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.807 -1.382 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.704 -2.126 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.406 -3.213 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.867 -2.753 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.790 -4.992 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.751 -3.970 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.272 -4.415 7.469 1.00 0.00 H new ATOM 669 N VAL A 44 -5.911 -1.285 2.039 1.00 0.00 N ATOM 670 CA VAL A 44 -6.579 -1.148 0.740 1.00 0.00 C ATOM 671 C VAL A 44 -6.527 -2.463 -0.042 1.00 0.00 C ATOM 672 O VAL A 44 -7.456 -2.783 -0.786 1.00 0.00 O ATOM 673 CB VAL A 44 -5.953 -0.019 -0.096 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.207 1.325 0.590 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.443 -0.232 -0.241 1.00 0.00 C ATOM 0 H VAL A 44 -4.975 -0.883 2.083 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.621 -0.894 0.936 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.409 -0.025 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.763 2.125 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.281 1.491 0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.758 1.317 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.017 0.576 -0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.980 -0.240 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.256 -1.185 -0.737 1.00 0.00 H new ATOM 685 N MET A 45 -5.443 -3.231 0.144 1.00 0.00 N ATOM 686 CA MET A 45 -5.305 -4.519 -0.543 1.00 0.00 C ATOM 687 C MET A 45 -6.439 -5.456 -0.135 1.00 0.00 C ATOM 688 O MET A 45 -6.964 -6.206 -0.958 1.00 0.00 O ATOM 689 CB MET A 45 -3.964 -5.195 -0.215 1.00 0.00 C ATOM 690 CG MET A 45 -2.799 -4.228 -0.456 1.00 0.00 C ATOM 691 SD MET A 45 -2.121 -4.498 -2.111 1.00 0.00 S ATOM 692 CE MET A 45 -3.545 -3.863 -3.025 1.00 0.00 C ATOM 0 H MET A 45 -4.663 -2.987 0.754 1.00 0.00 H new ATOM 0 HA MET A 45 -5.345 -4.321 -1.614 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.961 -5.524 0.824 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.839 -6.085 -0.832 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.141 -3.198 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.024 -4.381 0.295 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.214 -3.466 -3.985 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.259 -4.669 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.022 -3.070 -2.450 1.00 0.00 H new ATOM 702 N ARG A 46 -6.816 -5.394 1.148 1.00 0.00 N ATOM 703 CA ARG A 46 -7.901 -6.233 1.671 1.00 0.00 C ATOM 704 C ARG A 46 -9.219 -5.901 0.970 1.00 0.00 C ATOM 705 O ARG A 46 -10.015 -6.794 0.672 1.00 0.00 O ATOM 706 CB ARG A 46 -8.068 -6.022 3.180 1.00 0.00 C ATOM 707 CG ARG A 46 -7.171 -7.010 3.932 1.00 0.00 C ATOM 708 CD ARG A 46 -7.348 -6.822 5.442 1.00 0.00 C ATOM 709 NE ARG A 46 -7.572 -8.111 6.102 1.00 0.00 N ATOM 710 CZ ARG A 46 -7.443 -8.257 7.428 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.115 -7.240 8.188 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.649 -9.431 7.972 1.00 0.00 N ATOM 0 H ARG A 46 -6.389 -4.776 1.839 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.641 -7.274 1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.805 -4.998 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.110 -6.168 3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.424 -8.032 3.651 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.128 -6.852 3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.463 -6.343 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.191 -6.158 5.634 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.833 -8.919 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.954 -6.323 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.020 -7.366 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.906 -10.226 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.553 -9.550 8.980 1.00 0.00 H new ATOM 726 N MET A 47 -9.430 -4.609 0.700 1.00 0.00 N ATOM 727 CA MET A 47 -10.647 -4.160 0.018 1.00 0.00 C ATOM 728 C MET A 47 -10.705 -4.724 -1.406 1.00 0.00 C ATOM 729 O MET A 47 -11.786 -4.990 -1.935 1.00 0.00 O ATOM 730 CB MET A 47 -10.697 -2.628 -0.047 1.00 0.00 C ATOM 731 CG MET A 47 -10.905 -2.057 1.359 1.00 0.00 C ATOM 732 SD MET A 47 -12.617 -2.335 1.878 1.00 0.00 S ATOM 733 CE MET A 47 -12.253 -3.040 3.505 1.00 0.00 C ATOM 0 H MET A 47 -8.779 -3.861 0.941 1.00 0.00 H new ATOM 0 HA MET A 47 -11.502 -4.525 0.587 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.771 -2.242 -0.473 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.507 -2.309 -0.703 1.00 0.00 H new ATOM 0 HG2 MET A 47 -10.220 -2.532 2.061 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.680 -0.990 1.367 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.186 -3.289 4.010 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.653 -3.942 3.385 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.700 -2.314 4.101 1.00 0.00 H new ATOM 743 N LEU A 48 -9.526 -4.907 -2.016 1.00 0.00 N ATOM 744 CA LEU A 48 -9.447 -5.444 -3.377 1.00 0.00 C ATOM 745 C LEU A 48 -9.584 -6.970 -3.371 1.00 0.00 C ATOM 746 O LEU A 48 -10.337 -7.534 -4.167 1.00 0.00 O ATOM 747 CB LEU A 48 -8.112 -5.068 -4.028 1.00 0.00 C ATOM 748 CG LEU A 48 -8.048 -3.655 -4.622 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.590 -3.283 -4.898 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.842 -3.614 -5.931 1.00 0.00 C ATOM 0 H LEU A 48 -8.623 -4.693 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.267 -5.011 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.322 -5.167 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.897 -5.787 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.477 -2.945 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.544 -2.279 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.025 -3.311 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.161 -3.993 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.796 -2.610 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.414 -4.325 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.881 -3.878 -5.735 1.00 0.00 H new ATOM 762 N GLY A 49 -8.849 -7.633 -2.468 1.00 0.00 N ATOM 763 CA GLY A 49 -8.902 -9.095 -2.378 1.00 0.00 C ATOM 764 C GLY A 49 -7.638 -9.681 -1.734 1.00 0.00 C ATOM 765 O GLY A 49 -7.691 -10.740 -1.107 1.00 0.00 O ATOM 0 H GLY A 49 -8.220 -7.187 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.775 -9.390 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.028 -9.515 -3.376 1.00 0.00 H new ATOM 769 N GLN A 50 -6.502 -8.991 -1.901 1.00 0.00 N ATOM 770 CA GLN A 50 -5.233 -9.470 -1.336 1.00 0.00 C ATOM 771 C GLN A 50 -5.101 -9.070 0.134 1.00 0.00 C ATOM 772 O GLN A 50 -5.780 -8.162 0.610 1.00 0.00 O ATOM 773 CB GLN A 50 -4.049 -8.883 -2.111 1.00 0.00 C ATOM 774 CG GLN A 50 -3.698 -9.800 -3.284 1.00 0.00 C ATOM 775 CD GLN A 50 -2.650 -9.123 -4.164 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.519 -9.598 -4.268 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.960 -8.030 -4.811 1.00 0.00 N ATOM 0 H GLN A 50 -6.435 -8.112 -2.415 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.228 -10.557 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.299 -7.887 -2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.188 -8.774 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.317 -10.752 -2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.592 -10.019 -3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.897 -7.635 -4.726 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.265 -7.572 -5.401 1.00 0.00 H new ATOM 786 N ASN A 51 -4.216 -9.768 0.849 1.00 0.00 N ATOM 787 CA ASN A 51 -3.997 -9.484 2.268 1.00 0.00 C ATOM 788 C ASN A 51 -2.599 -9.939 2.705 1.00 0.00 C ATOM 789 O ASN A 51 -2.422 -11.056 3.196 1.00 0.00 O ATOM 790 CB ASN A 51 -5.056 -10.191 3.122 1.00 0.00 C ATOM 791 CG ASN A 51 -5.017 -9.658 4.556 1.00 0.00 C ATOM 792 OD1 ASN A 51 -4.610 -8.520 4.797 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.422 -10.424 5.534 1.00 0.00 N ATOM 0 H ASN A 51 -3.645 -10.526 0.474 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.078 -8.407 2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.045 -10.032 2.693 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.877 -11.266 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.401 -10.080 6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.759 -11.366 5.338 1.00 0.00 H new ATOM 800 N PRO A 52 -1.596 -9.069 2.534 1.00 0.00 N ATOM 801 CA PRO A 52 -0.203 -9.376 2.917 1.00 0.00 C ATOM 802 C PRO A 52 0.064 -9.118 4.405 1.00 0.00 C ATOM 803 O PRO A 52 -0.865 -8.931 5.194 1.00 0.00 O ATOM 804 CB PRO A 52 0.588 -8.402 2.049 1.00 0.00 C ATOM 805 CG PRO A 52 -0.345 -7.245 1.714 1.00 0.00 C ATOM 806 CD PRO A 52 -1.782 -7.729 1.943 1.00 0.00 C ATOM 0 HA PRO A 52 0.056 -10.425 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.471 -8.044 2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.937 -8.892 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.126 -6.382 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.207 -6.929 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.328 -7.066 2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.345 -7.775 1.011 1.00 0.00 H new ATOM 814 N THR A 53 1.347 -9.105 4.771 1.00 0.00 N ATOM 815 CA THR A 53 1.744 -8.861 6.162 1.00 0.00 C ATOM 816 C THR A 53 2.395 -7.478 6.270 1.00 0.00 C ATOM 817 O THR A 53 2.636 -6.823 5.256 1.00 0.00 O ATOM 818 CB THR A 53 2.734 -9.942 6.644 1.00 0.00 C ATOM 819 OG1 THR A 53 4.058 -9.594 6.263 1.00 0.00 O ATOM 820 CG2 THR A 53 2.374 -11.297 6.032 1.00 0.00 C ATOM 0 H THR A 53 2.125 -9.259 4.130 1.00 0.00 H new ATOM 0 HA THR A 53 0.856 -8.901 6.793 1.00 0.00 H new ATOM 0 HB THR A 53 2.673 -10.008 7.730 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.680 -10.284 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.079 -12.052 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.365 -11.577 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.421 -11.229 4.945 1.00 0.00 H new ATOM 828 N PRO A 54 2.704 -7.019 7.489 1.00 0.00 N ATOM 829 CA PRO A 54 3.346 -5.703 7.683 1.00 0.00 C ATOM 830 C PRO A 54 4.817 -5.704 7.259 1.00 0.00 C ATOM 831 O PRO A 54 5.358 -4.675 6.852 1.00 0.00 O ATOM 832 CB PRO A 54 3.193 -5.476 9.181 1.00 0.00 C ATOM 833 CG PRO A 54 3.013 -6.845 9.820 1.00 0.00 C ATOM 834 CD PRO A 54 2.451 -7.771 8.739 1.00 0.00 C ATOM 0 HA PRO A 54 2.896 -4.918 7.075 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.071 -4.973 9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.335 -4.837 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.964 -7.223 10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.334 -6.788 10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.953 -8.739 8.736 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.388 -7.964 8.886 1.00 0.00 H new ATOM 842 N GLU A 55 5.446 -6.878 7.341 1.00 0.00 N ATOM 843 CA GLU A 55 6.846 -7.023 6.944 1.00 0.00 C ATOM 844 C GLU A 55 6.947 -7.234 5.431 1.00 0.00 C ATOM 845 O GLU A 55 7.862 -6.726 4.780 1.00 0.00 O ATOM 846 CB GLU A 55 7.493 -8.218 7.658 1.00 0.00 C ATOM 847 CG GLU A 55 7.109 -8.209 9.141 1.00 0.00 C ATOM 848 CD GLU A 55 8.156 -8.971 9.951 1.00 0.00 C ATOM 849 OE1 GLU A 55 8.015 -10.176 10.082 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.083 -8.337 10.429 1.00 0.00 O ATOM 0 H GLU A 55 5.010 -7.737 7.677 1.00 0.00 H new ATOM 0 HA GLU A 55 7.371 -6.110 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.168 -9.149 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.577 -8.172 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.034 -7.183 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.129 -8.666 9.275 1.00 0.00 H new ATOM 857 N GLU A 56 5.989 -7.994 4.881 1.00 0.00 N ATOM 858 CA GLU A 56 5.966 -8.281 3.445 1.00 0.00 C ATOM 859 C GLU A 56 5.573 -7.039 2.642 1.00 0.00 C ATOM 860 O GLU A 56 6.262 -6.663 1.691 1.00 0.00 O ATOM 861 CB GLU A 56 4.969 -9.407 3.142 1.00 0.00 C ATOM 862 CG GLU A 56 5.270 -10.009 1.765 1.00 0.00 C ATOM 863 CD GLU A 56 4.253 -9.498 0.748 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.180 -10.076 0.671 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.562 -8.537 0.060 1.00 0.00 O ATOM 0 H GLU A 56 5.225 -8.418 5.408 1.00 0.00 H new ATOM 0 HA GLU A 56 6.970 -8.589 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.034 -10.179 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.950 -9.020 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.279 -9.740 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.232 -11.097 1.817 1.00 0.00 H new ATOM 872 N LEU A 57 4.457 -6.410 3.030 1.00 0.00 N ATOM 873 CA LEU A 57 3.980 -5.211 2.332 1.00 0.00 C ATOM 874 C LEU A 57 5.009 -4.075 2.412 1.00 0.00 C ATOM 875 O LEU A 57 5.034 -3.197 1.548 1.00 0.00 O ATOM 876 CB LEU A 57 2.630 -4.748 2.914 1.00 0.00 C ATOM 877 CG LEU A 57 2.616 -3.375 3.603 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.170 -2.928 3.820 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.330 -3.464 4.956 1.00 0.00 C ATOM 0 H LEU A 57 3.874 -6.707 3.813 1.00 0.00 H new ATOM 0 HA LEU A 57 3.841 -5.470 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.898 -4.732 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.295 -5.495 3.634 1.00 0.00 H new ATOM 0 HG LEU A 57 3.132 -2.652 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.160 -1.954 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.663 -2.856 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.655 -3.655 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.317 -2.487 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.820 -4.189 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.362 -3.779 4.803 1.00 0.00 H new ATOM 891 N GLN A 58 5.856 -4.101 3.451 1.00 0.00 N ATOM 892 CA GLN A 58 6.882 -3.067 3.623 1.00 0.00 C ATOM 893 C GLN A 58 7.767 -2.975 2.378 1.00 0.00 C ATOM 894 O GLN A 58 8.080 -1.879 1.907 1.00 0.00 O ATOM 895 CB GLN A 58 7.761 -3.369 4.842 1.00 0.00 C ATOM 896 CG GLN A 58 8.493 -2.094 5.279 1.00 0.00 C ATOM 897 CD GLN A 58 7.485 -1.080 5.814 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.180 -1.070 7.006 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.941 -0.220 4.995 1.00 0.00 N ATOM 0 H GLN A 58 5.851 -4.818 4.176 1.00 0.00 H new ATOM 0 HA GLN A 58 6.371 -2.116 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.148 -3.747 5.660 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.482 -4.149 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.228 -2.331 6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.038 -1.669 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.193 -0.227 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.264 0.459 5.344 1.00 0.00 H new ATOM 908 N GLU A 59 8.154 -4.139 1.846 1.00 0.00 N ATOM 909 CA GLU A 59 8.992 -4.187 0.645 1.00 0.00 C ATOM 910 C GLU A 59 8.248 -3.589 -0.552 1.00 0.00 C ATOM 911 O GLU A 59 8.852 -2.936 -1.402 1.00 0.00 O ATOM 912 CB GLU A 59 9.386 -5.631 0.318 1.00 0.00 C ATOM 913 CG GLU A 59 10.645 -6.010 1.100 1.00 0.00 C ATOM 914 CD GLU A 59 11.474 -7.000 0.286 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.243 -8.190 0.423 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.330 -6.552 -0.461 1.00 0.00 O ATOM 0 H GLU A 59 7.903 -5.052 2.224 1.00 0.00 H new ATOM 0 HA GLU A 59 9.891 -3.604 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.570 -6.308 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.565 -5.736 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.234 -5.118 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.371 -6.451 2.058 1.00 0.00 H new ATOM 923 N MET A 60 6.930 -3.814 -0.600 1.00 0.00 N ATOM 924 CA MET A 60 6.105 -3.289 -1.692 1.00 0.00 C ATOM 925 C MET A 60 6.038 -1.763 -1.622 1.00 0.00 C ATOM 926 O MET A 60 6.212 -1.080 -2.629 1.00 0.00 O ATOM 927 CB MET A 60 4.679 -3.852 -1.620 1.00 0.00 C ATOM 928 CG MET A 60 4.716 -5.381 -1.728 1.00 0.00 C ATOM 929 SD MET A 60 5.162 -5.861 -3.417 1.00 0.00 S ATOM 930 CE MET A 60 5.698 -7.548 -3.041 1.00 0.00 C ATOM 0 H MET A 60 6.416 -4.351 0.098 1.00 0.00 H new ATOM 0 HA MET A 60 6.565 -3.595 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.209 -3.556 -0.682 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.073 -3.436 -2.425 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.439 -5.788 -1.021 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.744 -5.798 -1.466 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.022 -8.040 -3.958 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.527 -7.517 -2.333 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.869 -8.105 -2.605 1.00 0.00 H new ATOM 940 N ILE A 61 5.786 -1.242 -0.413 1.00 0.00 N ATOM 941 CA ILE A 61 5.695 0.204 -0.197 1.00 0.00 C ATOM 942 C ILE A 61 6.938 0.919 -0.736 1.00 0.00 C ATOM 943 O ILE A 61 6.860 1.674 -1.703 1.00 0.00 O ATOM 944 CB ILE A 61 5.549 0.489 1.301 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.163 0.039 1.760 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.726 1.984 1.576 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.251 -0.502 3.185 1.00 0.00 C ATOM 0 H ILE A 61 5.642 -1.802 0.428 1.00 0.00 H new ATOM 0 HA ILE A 61 4.823 0.579 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 61 6.316 -0.058 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.465 0.875 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.778 -0.730 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.620 2.173 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.717 2.299 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.968 2.546 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.263 -0.823 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.936 -1.350 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.618 0.281 3.849 1.00 0.00 H new ATOM 959 N ASP A 62 8.077 0.674 -0.086 1.00 0.00 N ATOM 960 CA ASP A 62 9.344 1.297 -0.489 1.00 0.00 C ATOM 961 C ASP A 62 9.630 1.088 -1.983 1.00 0.00 C ATOM 962 O ASP A 62 10.184 1.969 -2.644 1.00 0.00 O ATOM 963 CB ASP A 62 10.503 0.710 0.325 1.00 0.00 C ATOM 964 CG ASP A 62 10.473 1.278 1.742 1.00 0.00 C ATOM 965 OD1 ASP A 62 9.759 0.727 2.567 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.164 2.256 1.982 1.00 0.00 O ATOM 0 H ASP A 62 8.151 0.052 0.719 1.00 0.00 H new ATOM 0 HA ASP A 62 9.254 2.367 -0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.425 -0.377 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.453 0.948 -0.153 1.00 0.00 H new ATOM 971 N GLU A 63 9.252 -0.087 -2.507 1.00 0.00 N ATOM 972 CA GLU A 63 9.481 -0.401 -3.924 1.00 0.00 C ATOM 973 C GLU A 63 8.668 0.520 -4.840 1.00 0.00 C ATOM 974 O GLU A 63 9.207 1.100 -5.785 1.00 0.00 O ATOM 975 CB GLU A 63 9.097 -1.854 -4.223 1.00 0.00 C ATOM 976 CG GLU A 63 10.331 -2.752 -4.084 1.00 0.00 C ATOM 977 CD GLU A 63 11.053 -2.843 -5.425 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.902 -2.002 -5.677 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.746 -3.750 -6.183 1.00 0.00 O ATOM 0 H GLU A 63 8.792 -0.828 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 63 10.543 -0.250 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.317 -2.183 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.689 -1.933 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.002 -2.350 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.034 -3.747 -3.752 1.00 0.00 H new ATOM 986 N VAL A 64 7.366 0.637 -4.560 1.00 0.00 N ATOM 987 CA VAL A 64 6.485 1.481 -5.378 1.00 0.00 C ATOM 988 C VAL A 64 6.686 2.971 -5.082 1.00 0.00 C ATOM 989 O VAL A 64 6.320 3.819 -5.897 1.00 0.00 O ATOM 990 CB VAL A 64 5.007 1.131 -5.146 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.783 -0.367 -5.380 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.600 1.491 -3.712 1.00 0.00 C ATOM 0 H VAL A 64 6.902 0.165 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 64 6.751 1.285 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 64 4.397 1.702 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.733 -0.608 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.056 -0.620 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.401 -0.940 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.551 1.239 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.215 0.931 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.744 2.559 -3.550 1.00 0.00 H new ATOM 1002 N ASP A 65 7.259 3.286 -3.911 1.00 0.00 N ATOM 1003 CA ASP A 65 7.484 4.681 -3.537 1.00 0.00 C ATOM 1004 C ASP A 65 8.593 5.277 -4.406 1.00 0.00 C ATOM 1005 O ASP A 65 9.773 5.262 -4.044 1.00 0.00 O ATOM 1006 CB ASP A 65 7.866 4.796 -2.054 1.00 0.00 C ATOM 1007 CG ASP A 65 7.151 5.992 -1.419 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.129 7.049 -2.031 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.633 5.833 -0.326 1.00 0.00 O ATOM 0 H ASP A 65 7.569 2.603 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 65 6.558 5.234 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.596 3.880 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.945 4.913 -1.956 1.00 0.00 H new ATOM 1014 N GLU A 66 8.192 5.783 -5.573 1.00 0.00 N ATOM 1015 CA GLU A 66 9.137 6.372 -6.526 1.00 0.00 C ATOM 1016 C GLU A 66 9.721 7.685 -6.000 1.00 0.00 C ATOM 1017 O GLU A 66 10.902 7.973 -6.206 1.00 0.00 O ATOM 1018 CB GLU A 66 8.443 6.635 -7.867 1.00 0.00 C ATOM 1019 CG GLU A 66 8.162 5.300 -8.570 1.00 0.00 C ATOM 1020 CD GLU A 66 6.769 5.328 -9.197 1.00 0.00 C ATOM 1021 OE1 GLU A 66 5.819 5.004 -8.502 1.00 0.00 O ATOM 1022 OE2 GLU A 66 6.673 5.672 -10.364 1.00 0.00 O ATOM 0 H GLU A 66 7.220 5.797 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 66 9.950 5.659 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.511 7.176 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.072 7.264 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.913 5.118 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.233 4.480 -7.855 1.00 0.00 H new ATOM 1029 N ASP A 67 8.886 8.480 -5.323 1.00 0.00 N ATOM 1030 CA ASP A 67 9.345 9.764 -4.777 1.00 0.00 C ATOM 1031 C ASP A 67 9.992 9.576 -3.401 1.00 0.00 C ATOM 1032 O ASP A 67 10.978 10.240 -3.077 1.00 0.00 O ATOM 1033 CB ASP A 67 8.191 10.784 -4.664 1.00 0.00 C ATOM 1034 CG ASP A 67 6.893 10.101 -4.227 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.772 9.787 -3.054 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.034 9.910 -5.074 1.00 0.00 O ATOM 0 H ASP A 67 7.906 8.264 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 67 10.086 10.155 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.457 11.560 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.041 11.276 -5.625 1.00 0.00 H new ATOM 1041 N GLY A 68 9.426 8.671 -2.597 1.00 0.00 N ATOM 1042 CA GLY A 68 9.951 8.406 -1.258 1.00 0.00 C ATOM 1043 C GLY A 68 9.547 9.519 -0.294 1.00 0.00 C ATOM 1044 O GLY A 68 10.372 10.025 0.470 1.00 0.00 O ATOM 0 H GLY A 68 8.610 8.114 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.574 7.449 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.037 8.327 -1.296 1.00 0.00 H new ATOM 1048 N SER A 69 8.267 9.898 -0.347 1.00 0.00 N ATOM 1049 CA SER A 69 7.750 10.962 0.514 1.00 0.00 C ATOM 1050 C SER A 69 7.157 10.387 1.802 1.00 0.00 C ATOM 1051 O SER A 69 7.503 10.817 2.904 1.00 0.00 O ATOM 1052 CB SER A 69 6.670 11.765 -0.222 1.00 0.00 C ATOM 1053 OG SER A 69 5.654 10.884 -0.692 1.00 0.00 O ATOM 0 H SER A 69 7.575 9.486 -0.973 1.00 0.00 H new ATOM 0 HA SER A 69 8.583 11.616 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.238 12.510 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.112 12.306 -1.059 1.00 0.00 H new ATOM 0 HG SER A 69 5.939 10.476 -1.536 1.00 0.00 H new ATOM 1059 N GLY A 70 6.253 9.419 1.645 1.00 0.00 N ATOM 1060 CA GLY A 70 5.595 8.789 2.791 1.00 0.00 C ATOM 1061 C GLY A 70 4.183 8.333 2.421 1.00 0.00 C ATOM 1062 O GLY A 70 3.652 7.388 3.007 1.00 0.00 O ATOM 0 H GLY A 70 5.960 9.055 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.181 7.935 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.549 9.493 3.622 1.00 0.00 H new ATOM 1066 N THR A 71 3.586 9.017 1.438 1.00 0.00 N ATOM 1067 CA THR A 71 2.238 8.684 0.979 1.00 0.00 C ATOM 1068 C THR A 71 2.309 7.905 -0.335 1.00 0.00 C ATOM 1069 O THR A 71 3.320 7.947 -1.040 1.00 0.00 O ATOM 1070 CB THR A 71 1.422 9.965 0.756 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.057 10.768 -0.231 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.331 10.747 2.067 1.00 0.00 C ATOM 0 H THR A 71 4.016 9.802 0.948 1.00 0.00 H new ATOM 0 HA THR A 71 1.756 8.073 1.742 1.00 0.00 H new ATOM 0 HB THR A 71 0.419 9.701 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.377 11.221 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.752 11.657 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.843 10.133 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.334 11.010 2.404 1.00 0.00 H new ATOM 1080 N VAL A 72 1.222 7.200 -0.660 1.00 0.00 N ATOM 1081 CA VAL A 72 1.171 6.422 -1.896 1.00 0.00 C ATOM 1082 C VAL A 72 0.216 7.075 -2.891 1.00 0.00 C ATOM 1083 O VAL A 72 -0.987 7.175 -2.644 1.00 0.00 O ATOM 1084 CB VAL A 72 0.705 4.987 -1.628 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.852 4.153 -2.906 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.556 4.368 -0.516 1.00 0.00 C ATOM 0 H VAL A 72 0.377 7.153 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 72 2.179 6.395 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.340 5.000 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.520 3.132 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.243 4.590 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.897 4.143 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.222 3.348 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.602 4.357 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.450 4.958 0.394 1.00 0.00 H new ATOM 1096 N ASP A 73 0.765 7.504 -4.027 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.046 8.136 -5.067 1.00 0.00 C ATOM 1098 C ASP A 73 -0.664 7.065 -5.964 1.00 0.00 C ATOM 1099 O ASP A 73 -0.394 5.874 -5.798 1.00 0.00 O ATOM 1100 CB ASP A 73 0.812 9.078 -5.922 1.00 0.00 C ATOM 1101 CG ASP A 73 1.407 10.177 -5.043 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.739 11.180 -4.848 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.522 10.000 -4.578 1.00 0.00 O ATOM 0 H ASP A 73 1.757 7.427 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.835 8.714 -4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.610 8.517 -6.409 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.206 9.520 -6.712 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.496 7.494 -6.913 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.143 6.551 -7.828 1.00 0.00 C ATOM 1110 C PHE A 74 -1.097 5.828 -8.682 1.00 0.00 C ATOM 1111 O PHE A 74 -1.251 4.648 -8.994 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.141 7.275 -8.742 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.109 6.280 -9.350 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.594 5.205 -8.591 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.523 6.440 -10.676 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.488 4.294 -9.160 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.419 5.527 -11.245 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.901 4.453 -10.487 1.00 0.00 C ATOM 0 H PHE A 74 -1.736 8.473 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.683 5.819 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.689 8.025 -8.172 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.606 7.802 -9.532 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.276 5.081 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.151 7.268 -11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.860 3.466 -8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.739 5.651 -12.269 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.591 3.748 -10.926 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.024 6.546 -9.036 1.00 0.00 N ATOM 1129 CA ASP A 75 1.054 5.960 -9.834 1.00 0.00 C ATOM 1130 C ASP A 75 1.795 4.895 -9.028 1.00 0.00 C ATOM 1131 O ASP A 75 2.160 3.844 -9.556 1.00 0.00 O ATOM 1132 CB ASP A 75 2.052 7.041 -10.263 1.00 0.00 C ATOM 1133 CG ASP A 75 1.615 7.640 -11.595 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.813 8.559 -11.575 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.089 7.171 -12.617 1.00 0.00 O ATOM 0 H ASP A 75 0.118 7.524 -8.784 1.00 0.00 H new ATOM 0 HA ASP A 75 0.608 5.505 -10.718 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.108 7.820 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.050 6.613 -10.355 1.00 0.00 H new ATOM 1140 N GLU A 76 1.994 5.176 -7.735 1.00 0.00 N ATOM 1141 CA GLU A 76 2.676 4.236 -6.841 1.00 0.00 C ATOM 1142 C GLU A 76 1.723 3.102 -6.441 1.00 0.00 C ATOM 1143 O GLU A 76 2.155 2.010 -6.067 1.00 0.00 O ATOM 1144 CB GLU A 76 3.173 4.948 -5.573 1.00 0.00 C ATOM 1145 CG GLU A 76 3.735 6.331 -5.936 1.00 0.00 C ATOM 1146 CD GLU A 76 4.420 6.955 -4.719 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.719 7.362 -3.811 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.636 7.024 -4.717 1.00 0.00 O ATOM 0 H GLU A 76 1.694 6.042 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 76 3.533 3.825 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.355 5.054 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.943 4.349 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.447 6.239 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.931 6.980 -6.283 1.00 0.00 H new ATOM 1155 N PHE A 77 0.420 3.377 -6.531 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.605 2.390 -6.191 1.00 0.00 C ATOM 1157 C PHE A 77 -0.776 1.370 -7.325 1.00 0.00 C ATOM 1158 O PHE A 77 -0.990 0.182 -7.078 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.944 3.102 -5.930 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.022 2.100 -5.583 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.056 1.516 -4.309 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.994 1.764 -6.534 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.060 0.594 -3.990 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.998 0.842 -6.213 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.031 0.257 -4.941 1.00 0.00 C ATOM 0 H PHE A 77 0.050 4.277 -6.837 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.290 1.860 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.829 3.817 -5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.238 3.669 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.309 1.777 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.969 2.216 -7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.086 0.142 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.747 0.582 -6.946 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.805 -0.454 -4.694 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.689 1.850 -8.572 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.851 0.979 -9.740 1.00 0.00 C ATOM 1177 C LEU A 78 0.396 0.128 -10.004 1.00 0.00 C ATOM 1178 O LEU A 78 0.284 -1.013 -10.460 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.136 1.817 -10.984 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.463 2.577 -10.964 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.289 3.910 -11.692 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.543 1.746 -11.660 1.00 0.00 C ATOM 0 H LEU A 78 -0.509 2.829 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.687 0.313 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.326 2.535 -11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.123 1.162 -11.855 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.764 2.761 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.232 4.456 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.522 4.500 -11.191 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.989 3.725 -12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.487 2.290 -11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.249 1.559 -12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.663 0.796 -11.139 1.00 0.00 H new ATOM 1194 N VAL A 79 1.581 0.689 -9.731 1.00 0.00 N ATOM 1195 CA VAL A 79 2.836 -0.042 -9.967 1.00 0.00 C ATOM 1196 C VAL A 79 2.879 -1.349 -9.173 1.00 0.00 C ATOM 1197 O VAL A 79 3.512 -2.308 -9.596 1.00 0.00 O ATOM 1198 CB VAL A 79 4.069 0.798 -9.608 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.264 1.899 -10.653 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.899 1.429 -8.225 1.00 0.00 C ATOM 0 H VAL A 79 1.699 1.629 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 79 2.861 -0.264 -11.034 1.00 0.00 H new ATOM 0 HB VAL A 79 4.944 0.148 -9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.140 2.494 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.408 1.448 -11.635 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.383 2.541 -10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.782 2.022 -7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.019 2.072 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.775 0.644 -7.479 1.00 0.00 H new ATOM 1210 N MET A 80 2.200 -1.378 -8.022 1.00 0.00 N ATOM 1211 CA MET A 80 2.167 -2.584 -7.181 1.00 0.00 C ATOM 1212 C MET A 80 1.902 -3.848 -8.011 1.00 0.00 C ATOM 1213 O MET A 80 2.469 -4.908 -7.737 1.00 0.00 O ATOM 1214 CB MET A 80 1.070 -2.452 -6.120 1.00 0.00 C ATOM 1215 CG MET A 80 1.686 -1.997 -4.797 1.00 0.00 C ATOM 1216 SD MET A 80 1.019 -0.377 -4.341 1.00 0.00 S ATOM 1217 CE MET A 80 -0.670 -0.913 -3.971 1.00 0.00 C ATOM 0 H MET A 80 1.670 -0.589 -7.652 1.00 0.00 H new ATOM 0 HA MET A 80 3.144 -2.677 -6.707 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.318 -1.735 -6.448 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.563 -3.407 -5.987 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.469 -2.724 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.771 -1.942 -4.889 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.066 -0.323 -3.144 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.298 -0.772 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.665 -1.967 -3.695 1.00 0.00 H new ATOM 1227 N MET A 81 1.036 -3.726 -9.022 1.00 0.00 N ATOM 1228 CA MET A 81 0.702 -4.868 -9.884 1.00 0.00 C ATOM 1229 C MET A 81 1.846 -5.189 -10.852 1.00 0.00 C ATOM 1230 O MET A 81 2.363 -6.307 -10.867 1.00 0.00 O ATOM 1231 CB MET A 81 -0.568 -4.577 -10.695 1.00 0.00 C ATOM 1232 CG MET A 81 -1.799 -4.714 -9.796 1.00 0.00 C ATOM 1233 SD MET A 81 -2.243 -6.463 -9.639 1.00 0.00 S ATOM 1234 CE MET A 81 -1.547 -6.732 -7.990 1.00 0.00 C ATOM 0 H MET A 81 0.557 -2.858 -9.263 1.00 0.00 H new ATOM 0 HA MET A 81 0.536 -5.727 -9.234 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.521 -3.571 -11.113 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.641 -5.268 -11.535 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.593 -4.291 -8.813 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.633 -4.153 -10.216 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.235 -7.337 -7.399 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.592 -7.250 -8.078 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.395 -5.771 -7.498 1.00 0.00 H new ATOM 1244 N VAL A 82 2.227 -4.195 -11.664 1.00 0.00 N ATOM 1245 CA VAL A 82 3.307 -4.374 -12.650 1.00 0.00 C ATOM 1246 C VAL A 82 4.651 -4.690 -11.979 1.00 0.00 C ATOM 1247 O VAL A 82 5.505 -5.347 -12.575 1.00 0.00 O ATOM 1248 CB VAL A 82 3.471 -3.116 -13.513 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.201 -2.883 -14.335 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.727 -1.905 -12.612 1.00 0.00 C ATOM 0 H VAL A 82 1.809 -3.265 -11.661 1.00 0.00 H new ATOM 0 HA VAL A 82 3.020 -5.220 -13.275 1.00 0.00 H new ATOM 0 HB VAL A 82 4.316 -3.252 -14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.322 -1.989 -14.946 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.023 -3.743 -14.981 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.352 -2.752 -13.664 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.843 -1.012 -13.227 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.884 -1.771 -11.934 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.636 -2.068 -12.033 1.00 0.00 H new ATOM 1260 N ARG A 83 4.830 -4.218 -10.736 1.00 0.00 N ATOM 1261 CA ARG A 83 6.073 -4.463 -9.991 1.00 0.00 C ATOM 1262 C ARG A 83 6.338 -5.962 -9.862 1.00 0.00 C ATOM 1263 O ARG A 83 7.490 -6.395 -9.792 1.00 0.00 O ATOM 1264 CB ARG A 83 5.990 -3.858 -8.586 1.00 0.00 C ATOM 1265 CG ARG A 83 6.212 -2.346 -8.663 1.00 0.00 C ATOM 1266 CD ARG A 83 7.684 -2.028 -8.391 1.00 0.00 C ATOM 1267 NE ARG A 83 8.044 -0.723 -8.949 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.282 -0.225 -8.832 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.219 -0.896 -8.204 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.560 0.945 -9.350 1.00 0.00 N ATOM 0 H ARG A 83 4.136 -3.669 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 83 6.886 -3.993 -10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.016 -4.071 -8.145 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.740 -4.313 -7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.926 -1.976 -9.647 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.579 -1.838 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.870 -2.033 -7.317 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.315 -2.802 -8.828 1.00 0.00 H new ATOM 0 HE ARG A 83 7.334 -0.179 -9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.008 -1.808 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.158 -0.506 -8.122 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.836 1.471 -9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.501 1.330 -9.265 1.00 0.00 H new ATOM 1284 N CYS A 84 5.256 -6.747 -9.845 1.00 0.00 N ATOM 1285 CA CYS A 84 5.372 -8.205 -9.739 1.00 0.00 C ATOM 1286 C CYS A 84 6.124 -8.776 -10.947 1.00 0.00 C ATOM 1287 O CYS A 84 6.787 -9.809 -10.845 1.00 0.00 O ATOM 1288 CB CYS A 84 3.986 -8.854 -9.666 1.00 0.00 C ATOM 1289 SG CYS A 84 3.192 -8.413 -8.099 1.00 0.00 S ATOM 0 H CYS A 84 4.298 -6.401 -9.903 1.00 0.00 H new ATOM 0 HA CYS A 84 5.926 -8.428 -8.827 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.372 -8.521 -10.503 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.076 -9.937 -9.748 1.00 0.00 H new ATOM 0 HG CYS A 84 2.957 -7.135 -8.076 1.00 0.00 H new