USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot 180:sc= 0.0994 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -75:sc= 0.0202 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.109 X(o=-0.089,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 79:sc= 0.0349 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 170:sc= -1.09 (180deg=-1.35) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.055) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0.967 (180deg=0.778) USER MOD Single : A 32 SER OG : rot -34:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 40 GLN : amide:sc=-0.00516 X(o=-0.0052,f=-0.0052) USER MOD Single : A 45 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.02) USER MOD Single : A 49 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.85) USER MOD Single : A 50 MET CE :methyl 171:sc= -0.55 (180deg=-0.698) USER MOD Single : A 55 THR OG1 : rot 39:sc= 1.41 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-0.96) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -71:sc= 1.16 USER MOD Single : A 72 GLN : amide:sc= -0.499 K(o=-0.5,f=-2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.266 3.850 14.323 1.00 1.83 N ATOM 2 CA GLY A 9 -9.071 3.864 13.494 1.00 0.89 C ATOM 3 C GLY A 9 -8.295 5.173 13.692 1.00 0.76 C ATOM 4 O GLY A 9 -8.872 6.266 13.663 1.00 1.30 O ATOM 0 HA2 GLY A 9 -8.435 3.016 13.748 1.00 0.89 H new ATOM 0 HA3 GLY A 9 -9.347 3.753 12.445 1.00 0.89 H new ATOM 8 N THR A 10 -6.985 5.059 13.898 1.00 0.70 N ATOM 9 CA THR A 10 -6.034 6.154 14.146 1.00 0.52 C ATOM 10 C THR A 10 -4.743 5.977 13.355 1.00 0.46 C ATOM 11 O THR A 10 -4.364 4.864 12.992 1.00 0.57 O ATOM 12 CB THR A 10 -5.750 6.313 15.642 1.00 0.61 C ATOM 13 OG1 THR A 10 -5.128 7.544 15.932 1.00 0.65 O ATOM 14 CG2 THR A 10 -4.852 5.229 16.239 1.00 0.83 C ATOM 0 H THR A 10 -6.526 4.148 13.897 1.00 0.70 H new ATOM 0 HA THR A 10 -6.503 7.073 13.794 1.00 0.52 H new ATOM 0 HB THR A 10 -6.741 6.242 16.090 1.00 0.61 H new ATOM 0 HG1 THR A 10 -4.965 7.609 16.896 1.00 0.65 H new ATOM 0 HG21 THR A 10 -4.705 5.423 17.302 1.00 0.83 H new ATOM 0 HG22 THR A 10 -5.323 4.254 16.109 1.00 0.83 H new ATOM 0 HG23 THR A 10 -3.887 5.236 15.732 1.00 0.83 H new ATOM 22 N LEU A 11 -4.084 7.091 13.053 1.00 0.44 N ATOM 23 CA LEU A 11 -3.032 7.149 12.030 1.00 0.47 C ATOM 24 C LEU A 11 -1.760 6.411 12.476 1.00 0.60 C ATOM 25 O LEU A 11 -1.158 6.743 13.503 1.00 0.83 O ATOM 26 CB LEU A 11 -2.728 8.611 11.659 1.00 0.53 C ATOM 27 CG LEU A 11 -2.318 8.929 10.210 1.00 0.78 C ATOM 28 CD1 LEU A 11 -1.069 8.204 9.731 1.00 1.90 C ATOM 29 CD2 LEU A 11 -3.444 8.629 9.220 1.00 1.27 C ATOM 0 H LEU A 11 -4.261 7.986 13.510 1.00 0.44 H new ATOM 0 HA LEU A 11 -3.400 6.636 11.141 1.00 0.47 H new ATOM 0 HB2 LEU A 11 -3.613 9.203 11.891 1.00 0.53 H new ATOM 0 HB3 LEU A 11 -1.930 8.961 12.314 1.00 0.53 H new ATOM 0 HG LEU A 11 -2.097 9.996 10.235 1.00 0.78 H new ATOM 0 HD11 LEU A 11 -0.856 8.488 8.701 1.00 1.90 H new ATOM 0 HD12 LEU A 11 -0.225 8.476 10.365 1.00 1.90 H new ATOM 0 HD13 LEU A 11 -1.230 7.127 9.784 1.00 1.90 H new ATOM 0 HD21 LEU A 11 -3.113 8.867 8.209 1.00 1.27 H new ATOM 0 HD22 LEU A 11 -3.706 7.572 9.276 1.00 1.27 H new ATOM 0 HD23 LEU A 11 -4.317 9.233 9.468 1.00 1.27 H new ATOM 41 N CYS A 12 -1.392 5.434 11.654 1.00 0.48 N ATOM 42 CA CYS A 12 -0.337 4.424 11.814 1.00 0.47 C ATOM 43 C CYS A 12 0.222 4.007 10.434 1.00 0.30 C ATOM 44 O CYS A 12 -0.487 4.104 9.430 1.00 0.30 O ATOM 45 CB CYS A 12 -0.929 3.179 12.506 1.00 0.64 C ATOM 46 SG CYS A 12 -1.554 3.532 14.176 1.00 1.94 S ATOM 0 H CYS A 12 -1.873 5.312 10.763 1.00 0.48 H new ATOM 0 HA CYS A 12 0.468 4.847 12.415 1.00 0.47 H new ATOM 0 HB2 CYS A 12 -1.740 2.781 11.896 1.00 0.64 H new ATOM 0 HB3 CYS A 12 -0.165 2.404 12.565 1.00 0.64 H new ATOM 0 HG CYS A 12 -2.721 4.099 14.092 1.00 1.94 H new ATOM 52 N THR A 13 1.460 3.497 10.365 1.00 0.28 N ATOM 53 CA THR A 13 2.091 3.030 9.111 1.00 0.21 C ATOM 54 C THR A 13 1.988 1.513 8.975 1.00 0.26 C ATOM 55 O THR A 13 2.546 0.771 9.785 1.00 0.52 O ATOM 56 CB THR A 13 3.567 3.440 9.038 1.00 0.34 C ATOM 57 OG1 THR A 13 3.712 4.840 9.059 1.00 0.56 O ATOM 58 CG2 THR A 13 4.271 2.959 7.765 1.00 0.36 C ATOM 0 H THR A 13 2.061 3.394 11.183 1.00 0.28 H new ATOM 0 HA THR A 13 1.551 3.504 8.291 1.00 0.21 H new ATOM 0 HB THR A 13 4.021 2.971 9.911 1.00 0.34 H new ATOM 0 HG1 THR A 13 3.455 5.209 8.188 1.00 0.56 H new ATOM 0 HG21 THR A 13 5.311 3.284 7.780 1.00 0.36 H new ATOM 0 HG22 THR A 13 4.232 1.871 7.716 1.00 0.36 H new ATOM 0 HG23 THR A 13 3.772 3.379 6.892 1.00 0.36 H new ATOM 66 N LEU A 14 1.336 1.053 7.907 1.00 0.19 N ATOM 67 CA LEU A 14 1.297 -0.347 7.471 1.00 0.20 C ATOM 68 C LEU A 14 2.387 -0.576 6.407 1.00 0.25 C ATOM 69 O LEU A 14 2.477 0.209 5.464 1.00 0.30 O ATOM 70 CB LEU A 14 -0.122 -0.657 6.949 1.00 0.27 C ATOM 71 CG LEU A 14 -1.192 -0.985 8.016 1.00 0.43 C ATOM 72 CD1 LEU A 14 -1.220 -0.082 9.243 1.00 0.92 C ATOM 73 CD2 LEU A 14 -2.595 -0.900 7.408 1.00 1.66 C ATOM 0 H LEU A 14 0.799 1.668 7.296 1.00 0.19 H new ATOM 0 HA LEU A 14 1.506 -1.029 8.296 1.00 0.20 H new ATOM 0 HB2 LEU A 14 -0.468 0.200 6.371 1.00 0.27 H new ATOM 0 HB3 LEU A 14 -0.056 -1.500 6.261 1.00 0.27 H new ATOM 0 HG LEU A 14 -0.910 -1.986 8.344 1.00 0.43 H new ATOM 0 HD11 LEU A 14 -2.010 -0.410 9.918 1.00 0.92 H new ATOM 0 HD12 LEU A 14 -0.260 -0.135 9.756 1.00 0.92 H new ATOM 0 HD13 LEU A 14 -1.410 0.946 8.934 1.00 0.92 H new ATOM 0 HD21 LEU A 14 -3.337 -1.134 8.171 1.00 1.66 H new ATOM 0 HD22 LEU A 14 -2.767 0.108 7.030 1.00 1.66 H new ATOM 0 HD23 LEU A 14 -2.680 -1.614 6.589 1.00 1.66 H new ATOM 85 N GLU A 15 3.193 -1.637 6.541 1.00 0.32 N ATOM 86 CA GLU A 15 4.216 -2.048 5.556 1.00 0.30 C ATOM 87 C GLU A 15 3.832 -3.368 4.861 1.00 0.23 C ATOM 88 O GLU A 15 4.063 -4.461 5.383 1.00 0.29 O ATOM 89 CB GLU A 15 5.616 -2.157 6.195 1.00 0.53 C ATOM 90 CG GLU A 15 6.370 -0.819 6.230 1.00 1.40 C ATOM 91 CD GLU A 15 7.858 -1.001 6.569 1.00 1.70 C ATOM 92 OE1 GLU A 15 8.601 -1.591 5.753 1.00 2.74 O ATOM 93 OE2 GLU A 15 8.312 -0.563 7.654 1.00 1.87 O ATOM 0 H GLU A 15 3.155 -2.251 7.354 1.00 0.32 H new ATOM 0 HA GLU A 15 4.257 -1.266 4.798 1.00 0.30 H new ATOM 0 HB2 GLU A 15 5.516 -2.537 7.212 1.00 0.53 H new ATOM 0 HB3 GLU A 15 6.207 -2.885 5.639 1.00 0.53 H new ATOM 0 HG2 GLU A 15 6.277 -0.326 5.262 1.00 1.40 H new ATOM 0 HG3 GLU A 15 5.908 -0.163 6.968 1.00 1.40 H new ATOM 100 N PHE A 16 3.264 -3.283 3.655 1.00 0.22 N ATOM 101 CA PHE A 16 2.763 -4.446 2.911 1.00 0.23 C ATOM 102 C PHE A 16 3.757 -4.939 1.856 1.00 0.25 C ATOM 103 O PHE A 16 4.442 -4.149 1.207 1.00 0.29 O ATOM 104 CB PHE A 16 1.455 -4.099 2.188 1.00 0.26 C ATOM 105 CG PHE A 16 0.194 -4.010 3.011 1.00 0.26 C ATOM 106 CD1 PHE A 16 -0.176 -2.785 3.586 1.00 2.07 C ATOM 107 CD2 PHE A 16 -0.659 -5.129 3.107 1.00 2.00 C ATOM 108 CE1 PHE A 16 -1.418 -2.664 4.229 1.00 2.11 C ATOM 109 CE2 PHE A 16 -1.911 -5.000 3.735 1.00 1.97 C ATOM 110 CZ PHE A 16 -2.291 -3.767 4.290 1.00 0.35 C ATOM 0 H PHE A 16 3.137 -2.399 3.162 1.00 0.22 H new ATOM 0 HA PHE A 16 2.607 -5.232 3.650 1.00 0.23 H new ATOM 0 HB2 PHE A 16 1.595 -3.142 1.686 1.00 0.26 H new ATOM 0 HB3 PHE A 16 1.295 -4.846 1.411 1.00 0.26 H new ATOM 0 HD1 PHE A 16 0.492 -1.938 3.534 1.00 2.07 H new ATOM 0 HD2 PHE A 16 -0.352 -6.081 2.700 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -1.704 -1.724 4.677 1.00 2.11 H new ATOM 0 HE2 PHE A 16 -2.579 -5.847 3.790 1.00 1.97 H new ATOM 0 HZ PHE A 16 -3.256 -3.665 4.765 1.00 0.35 H new ATOM 120 N ALA A 17 3.756 -6.250 1.635 1.00 0.33 N ATOM 121 CA ALA A 17 4.436 -6.934 0.532 1.00 0.37 C ATOM 122 C ALA A 17 3.500 -7.116 -0.677 1.00 0.34 C ATOM 123 O ALA A 17 2.406 -7.662 -0.522 1.00 0.42 O ATOM 124 CB ALA A 17 4.941 -8.292 1.032 1.00 0.54 C ATOM 0 H ALA A 17 3.259 -6.897 2.247 1.00 0.33 H new ATOM 0 HA ALA A 17 5.277 -6.325 0.199 1.00 0.37 H new ATOM 0 HB1 ALA A 17 5.450 -8.812 0.220 1.00 0.54 H new ATOM 0 HB2 ALA A 17 5.636 -8.140 1.858 1.00 0.54 H new ATOM 0 HB3 ALA A 17 4.097 -8.891 1.374 1.00 0.54 H new ATOM 130 N VAL A 18 3.919 -6.675 -1.871 1.00 0.34 N ATOM 131 CA VAL A 18 3.073 -6.637 -3.085 1.00 0.36 C ATOM 132 C VAL A 18 3.851 -6.924 -4.376 1.00 0.52 C ATOM 133 O VAL A 18 4.942 -6.398 -4.588 1.00 1.05 O ATOM 134 CB VAL A 18 2.338 -5.289 -3.214 1.00 0.55 C ATOM 135 CG1 VAL A 18 1.337 -5.001 -2.088 1.00 0.60 C ATOM 136 CG2 VAL A 18 3.299 -4.115 -3.187 1.00 0.73 C ATOM 0 H VAL A 18 4.865 -6.329 -2.029 1.00 0.34 H new ATOM 0 HA VAL A 18 2.345 -7.438 -2.958 1.00 0.36 H new ATOM 0 HB VAL A 18 1.816 -5.388 -4.166 1.00 0.55 H new ATOM 0 HG11 VAL A 18 0.866 -4.033 -2.259 1.00 0.60 H new ATOM 0 HG12 VAL A 18 0.573 -5.778 -2.073 1.00 0.60 H new ATOM 0 HG13 VAL A 18 1.859 -4.987 -1.131 1.00 0.60 H new ATOM 0 HG21 VAL A 18 2.739 -3.184 -3.281 1.00 0.73 H new ATOM 0 HG22 VAL A 18 3.847 -4.115 -2.245 1.00 0.73 H new ATOM 0 HG23 VAL A 18 4.002 -4.201 -4.016 1.00 0.73 H new ATOM 146 N GLN A 19 3.283 -7.720 -5.286 1.00 0.32 N ATOM 147 CA GLN A 19 3.974 -8.159 -6.507 1.00 0.40 C ATOM 148 C GLN A 19 3.973 -7.070 -7.609 1.00 0.37 C ATOM 149 O GLN A 19 3.043 -6.980 -8.416 1.00 0.38 O ATOM 150 CB GLN A 19 3.340 -9.487 -6.964 1.00 0.56 C ATOM 151 CG GLN A 19 4.091 -10.179 -8.116 1.00 1.81 C ATOM 152 CD GLN A 19 3.369 -11.441 -8.589 1.00 2.15 C ATOM 153 OE1 GLN A 19 2.616 -11.434 -9.558 1.00 3.09 O ATOM 154 NE2 GLN A 19 3.513 -12.559 -7.918 1.00 2.47 N ATOM 0 H GLN A 19 2.332 -8.079 -5.200 1.00 0.32 H new ATOM 0 HA GLN A 19 5.030 -8.326 -6.295 1.00 0.40 H new ATOM 0 HB2 GLN A 19 3.295 -10.167 -6.114 1.00 0.56 H new ATOM 0 HB3 GLN A 19 2.313 -9.298 -7.276 1.00 0.56 H new ATOM 0 HG2 GLN A 19 4.195 -9.485 -8.950 1.00 1.81 H new ATOM 0 HG3 GLN A 19 5.098 -10.438 -7.789 1.00 1.81 H new ATOM 0 HE21 GLN A 19 4.133 -12.592 -7.109 1.00 2.47 H new ATOM 0 HE22 GLN A 19 3.005 -13.395 -8.206 1.00 2.47 H new ATOM 163 N MET A 20 5.040 -6.267 -7.684 1.00 0.42 N ATOM 164 CA MET A 20 5.316 -5.316 -8.780 1.00 0.51 C ATOM 165 C MET A 20 6.800 -5.284 -9.190 1.00 0.56 C ATOM 166 O MET A 20 7.664 -5.617 -8.379 1.00 0.63 O ATOM 167 CB MET A 20 4.804 -3.910 -8.432 1.00 0.53 C ATOM 168 CG MET A 20 5.186 -3.429 -7.030 1.00 0.47 C ATOM 169 SD MET A 20 4.969 -1.639 -6.841 1.00 0.69 S ATOM 170 CE MET A 20 4.801 -1.590 -5.048 1.00 0.52 C ATOM 0 H MET A 20 5.762 -6.257 -6.963 1.00 0.42 H new ATOM 0 HA MET A 20 4.767 -5.678 -9.649 1.00 0.51 H new ATOM 0 HB2 MET A 20 5.193 -3.203 -9.164 1.00 0.53 H new ATOM 0 HB3 MET A 20 3.718 -3.899 -8.524 1.00 0.53 H new ATOM 0 HG2 MET A 20 4.576 -3.948 -6.290 1.00 0.47 H new ATOM 0 HG3 MET A 20 6.224 -3.691 -6.828 1.00 0.47 H new ATOM 0 HE1 MET A 20 4.835 -0.555 -4.708 1.00 0.52 H new ATOM 0 HE2 MET A 20 3.849 -2.036 -4.759 1.00 0.52 H new ATOM 0 HE3 MET A 20 5.617 -2.149 -4.591 1.00 0.52 H new ATOM 180 N THR A 21 7.092 -4.924 -10.453 1.00 0.75 N ATOM 181 CA THR A 21 8.394 -5.241 -11.090 1.00 0.94 C ATOM 182 C THR A 21 9.114 -4.133 -11.873 1.00 0.65 C ATOM 183 O THR A 21 10.340 -4.205 -11.966 1.00 0.68 O ATOM 184 CB THR A 21 8.257 -6.464 -12.014 1.00 1.73 C ATOM 185 OG1 THR A 21 7.222 -6.283 -12.962 1.00 3.53 O ATOM 186 CG2 THR A 21 7.938 -7.751 -11.250 1.00 1.43 C ATOM 0 H THR A 21 6.448 -4.413 -11.057 1.00 0.75 H new ATOM 0 HA THR A 21 9.029 -5.420 -10.222 1.00 0.94 H new ATOM 0 HB THR A 21 9.226 -6.557 -12.504 1.00 1.73 H new ATOM 0 HG1 THR A 21 7.161 -7.076 -13.535 1.00 3.53 H new ATOM 0 HG21 THR A 21 7.853 -8.580 -11.953 1.00 1.43 H new ATOM 0 HG22 THR A 21 8.737 -7.959 -10.538 1.00 1.43 H new ATOM 0 HG23 THR A 21 6.997 -7.632 -10.714 1.00 1.43 H new ATOM 194 N CYS A 22 8.429 -3.122 -12.421 1.00 0.64 N ATOM 195 CA CYS A 22 9.054 -2.012 -13.158 1.00 0.68 C ATOM 196 C CYS A 22 8.343 -0.647 -12.930 1.00 0.70 C ATOM 197 O CYS A 22 7.286 -0.583 -12.299 1.00 0.73 O ATOM 198 CB CYS A 22 9.188 -2.437 -14.637 1.00 0.92 C ATOM 199 SG CYS A 22 7.713 -2.199 -15.671 1.00 1.15 S ATOM 0 H CYS A 22 7.413 -3.049 -12.366 1.00 0.64 H new ATOM 0 HA CYS A 22 10.054 -1.821 -12.768 1.00 0.68 H new ATOM 0 HB2 CYS A 22 10.013 -1.880 -15.081 1.00 0.92 H new ATOM 0 HB3 CYS A 22 9.463 -3.491 -14.668 1.00 0.92 H new ATOM 204 N GLN A 23 8.936 0.441 -13.441 1.00 0.74 N ATOM 205 CA GLN A 23 8.606 1.852 -13.138 1.00 0.81 C ATOM 206 C GLN A 23 7.125 2.253 -13.345 1.00 0.76 C ATOM 207 O GLN A 23 6.609 3.108 -12.617 1.00 0.78 O ATOM 208 CB GLN A 23 9.542 2.735 -13.983 1.00 0.89 C ATOM 209 CG GLN A 23 9.642 4.207 -13.551 1.00 2.24 C ATOM 210 CD GLN A 23 10.022 4.413 -12.085 1.00 2.17 C ATOM 211 OE1 GLN A 23 9.355 5.129 -11.350 1.00 2.80 O ATOM 212 NE2 GLN A 23 11.083 3.823 -11.585 1.00 2.12 N ATOM 0 H GLN A 23 9.700 0.363 -14.113 1.00 0.74 H new ATOM 0 HA GLN A 23 8.757 1.997 -12.068 1.00 0.81 H new ATOM 0 HB2 GLN A 23 10.541 2.300 -13.959 1.00 0.89 H new ATOM 0 HB3 GLN A 23 9.205 2.702 -15.019 1.00 0.89 H new ATOM 0 HG2 GLN A 23 10.380 4.707 -14.178 1.00 2.24 H new ATOM 0 HG3 GLN A 23 8.684 4.693 -13.737 1.00 2.24 H new ATOM 0 HE21 GLN A 23 11.657 3.221 -12.175 1.00 2.12 H new ATOM 0 HE22 GLN A 23 11.333 3.967 -10.607 1.00 2.12 H new ATOM 221 N SER A 24 6.424 1.607 -14.280 1.00 0.74 N ATOM 222 CA SER A 24 4.989 1.812 -14.556 1.00 0.71 C ATOM 223 C SER A 24 4.063 1.234 -13.481 1.00 0.63 C ATOM 224 O SER A 24 2.979 1.780 -13.257 1.00 0.66 O ATOM 225 CB SER A 24 4.617 1.170 -15.903 1.00 0.78 C ATOM 226 OG SER A 24 5.435 1.636 -16.964 1.00 1.20 O ATOM 0 H SER A 24 6.846 0.905 -14.887 1.00 0.74 H new ATOM 0 HA SER A 24 4.843 2.892 -14.571 1.00 0.71 H new ATOM 0 HB2 SER A 24 4.709 0.087 -15.825 1.00 0.78 H new ATOM 0 HB3 SER A 24 3.573 1.386 -16.130 1.00 0.78 H new ATOM 0 HG SER A 24 5.165 1.201 -17.800 1.00 1.20 H new ATOM 232 N CYS A 25 4.488 0.166 -12.798 1.00 0.61 N ATOM 233 CA CYS A 25 3.723 -0.503 -11.757 1.00 0.57 C ATOM 234 C CYS A 25 3.790 0.292 -10.433 1.00 0.52 C ATOM 235 O CYS A 25 2.805 0.407 -9.714 1.00 0.49 O ATOM 236 CB CYS A 25 4.290 -1.929 -11.629 1.00 0.69 C ATOM 237 SG CYS A 25 4.174 -2.979 -13.109 1.00 0.85 S ATOM 0 H CYS A 25 5.398 -0.263 -12.963 1.00 0.61 H new ATOM 0 HA CYS A 25 2.664 -0.557 -12.010 1.00 0.57 H new ATOM 0 HB2 CYS A 25 5.339 -1.855 -11.343 1.00 0.69 H new ATOM 0 HB3 CYS A 25 3.772 -2.431 -10.812 1.00 0.69 H new ATOM 242 N VAL A 26 4.946 0.893 -10.153 1.00 0.59 N ATOM 243 CA VAL A 26 5.217 1.790 -9.021 1.00 0.56 C ATOM 244 C VAL A 26 4.207 2.934 -9.014 1.00 0.49 C ATOM 245 O VAL A 26 3.507 3.123 -8.023 1.00 0.47 O ATOM 246 CB VAL A 26 6.647 2.367 -9.118 1.00 0.67 C ATOM 247 CG1 VAL A 26 7.289 2.638 -7.765 1.00 0.62 C ATOM 248 CG2 VAL A 26 7.605 1.413 -9.802 1.00 0.94 C ATOM 0 H VAL A 26 5.768 0.762 -10.742 1.00 0.59 H new ATOM 0 HA VAL A 26 5.129 1.218 -8.097 1.00 0.56 H new ATOM 0 HB VAL A 26 6.503 3.291 -9.678 1.00 0.67 H new ATOM 0 HG11 VAL A 26 8.291 3.042 -7.912 1.00 0.62 H new ATOM 0 HG12 VAL A 26 6.685 3.358 -7.213 1.00 0.62 H new ATOM 0 HG13 VAL A 26 7.352 1.708 -7.199 1.00 0.62 H new ATOM 0 HG21 VAL A 26 8.597 1.863 -9.846 1.00 0.94 H new ATOM 0 HG22 VAL A 26 7.654 0.481 -9.239 1.00 0.94 H new ATOM 0 HG23 VAL A 26 7.254 1.208 -10.813 1.00 0.94 H new ATOM 258 N ASP A 27 4.051 3.622 -10.153 1.00 0.48 N ATOM 259 CA ASP A 27 3.050 4.679 -10.340 1.00 0.45 C ATOM 260 C ASP A 27 1.630 4.138 -10.150 1.00 0.36 C ATOM 261 O ASP A 27 0.799 4.783 -9.518 1.00 0.41 O ATOM 262 CB ASP A 27 3.181 5.278 -11.751 1.00 0.58 C ATOM 263 CG ASP A 27 2.661 6.719 -11.838 1.00 1.19 C ATOM 264 OD1 ASP A 27 3.182 7.589 -11.100 1.00 1.91 O ATOM 265 OD2 ASP A 27 1.792 7.020 -12.694 1.00 2.37 O ATOM 0 H ASP A 27 4.624 3.457 -10.981 1.00 0.48 H new ATOM 0 HA ASP A 27 3.230 5.449 -9.590 1.00 0.45 H new ATOM 0 HB2 ASP A 27 4.228 5.256 -12.054 1.00 0.58 H new ATOM 0 HB3 ASP A 27 2.632 4.655 -12.457 1.00 0.58 H new ATOM 270 N ALA A 28 1.364 2.925 -10.641 1.00 0.35 N ATOM 271 CA ALA A 28 0.016 2.356 -10.634 1.00 0.38 C ATOM 272 C ALA A 28 -0.438 1.934 -9.229 1.00 0.40 C ATOM 273 O ALA A 28 -1.598 2.140 -8.859 1.00 0.52 O ATOM 274 CB ALA A 28 -0.026 1.170 -11.593 1.00 0.44 C ATOM 0 H ALA A 28 2.071 2.315 -11.051 1.00 0.35 H new ATOM 0 HA ALA A 28 -0.680 3.128 -10.962 1.00 0.38 H new ATOM 0 HB1 ALA A 28 -1.027 0.739 -11.595 1.00 0.44 H new ATOM 0 HB2 ALA A 28 0.226 1.506 -12.599 1.00 0.44 H new ATOM 0 HB3 ALA A 28 0.693 0.416 -11.271 1.00 0.44 H new ATOM 280 N VAL A 29 0.469 1.368 -8.425 1.00 0.40 N ATOM 281 CA VAL A 29 0.184 0.951 -7.065 1.00 0.48 C ATOM 282 C VAL A 29 0.190 2.162 -6.128 1.00 0.51 C ATOM 283 O VAL A 29 -0.692 2.250 -5.281 1.00 0.64 O ATOM 284 CB VAL A 29 1.145 -0.181 -6.652 1.00 0.60 C ATOM 285 CG1 VAL A 29 0.769 -0.739 -5.285 1.00 0.76 C ATOM 286 CG2 VAL A 29 1.076 -1.400 -7.592 1.00 0.55 C ATOM 0 H VAL A 29 1.431 1.188 -8.713 1.00 0.40 H new ATOM 0 HA VAL A 29 -0.820 0.532 -6.995 1.00 0.48 H new ATOM 0 HB VAL A 29 2.134 0.276 -6.673 1.00 0.60 H new ATOM 0 HG11 VAL A 29 1.461 -1.537 -5.015 1.00 0.76 H new ATOM 0 HG12 VAL A 29 0.822 0.055 -4.541 1.00 0.76 H new ATOM 0 HG13 VAL A 29 -0.246 -1.136 -5.320 1.00 0.76 H new ATOM 0 HG21 VAL A 29 1.775 -2.163 -7.250 1.00 0.55 H new ATOM 0 HG22 VAL A 29 0.064 -1.806 -7.588 1.00 0.55 H new ATOM 0 HG23 VAL A 29 1.340 -1.094 -8.604 1.00 0.55 H new ATOM 296 N ARG A 30 1.057 3.168 -6.352 1.00 0.43 N ATOM 297 CA ARG A 30 0.986 4.476 -5.671 1.00 0.44 C ATOM 298 C ARG A 30 -0.369 5.143 -5.911 1.00 0.49 C ATOM 299 O ARG A 30 -1.007 5.619 -4.973 1.00 0.59 O ATOM 300 CB ARG A 30 2.111 5.395 -6.207 1.00 0.41 C ATOM 301 CG ARG A 30 3.488 5.099 -5.588 1.00 0.39 C ATOM 302 CD ARG A 30 4.650 5.740 -6.373 1.00 0.46 C ATOM 303 NE ARG A 30 5.904 5.831 -5.599 1.00 1.04 N ATOM 304 CZ ARG A 30 6.173 6.563 -4.532 1.00 1.87 C ATOM 305 NH1 ARG A 30 5.342 7.399 -3.983 1.00 3.05 N ATOM 306 NH2 ARG A 30 7.340 6.432 -3.983 1.00 2.40 N ATOM 0 H ARG A 30 1.830 3.096 -7.013 1.00 0.43 H new ATOM 0 HA ARG A 30 1.110 4.316 -4.600 1.00 0.44 H new ATOM 0 HB2 ARG A 30 2.176 5.284 -7.289 1.00 0.41 H new ATOM 0 HB3 ARG A 30 1.847 6.434 -6.008 1.00 0.41 H new ATOM 0 HG2 ARG A 30 3.505 5.464 -4.561 1.00 0.39 H new ATOM 0 HG3 ARG A 30 3.637 4.020 -5.545 1.00 0.39 H new ATOM 0 HD2 ARG A 30 4.832 5.159 -7.277 1.00 0.46 H new ATOM 0 HD3 ARG A 30 4.355 6.740 -6.691 1.00 0.46 H new ATOM 0 HE ARG A 30 6.670 5.247 -5.935 1.00 1.04 H new ATOM 0 HH11 ARG A 30 4.409 7.524 -4.377 1.00 3.05 H new ATOM 0 HH12 ARG A 30 5.623 7.930 -3.159 1.00 3.05 H new ATOM 0 HH21 ARG A 30 8.018 5.779 -4.376 1.00 2.40 H new ATOM 0 HH22 ARG A 30 7.580 6.982 -3.158 1.00 2.40 H new ATOM 320 N LYS A 31 -0.856 5.137 -7.156 1.00 0.49 N ATOM 321 CA LYS A 31 -2.062 5.890 -7.542 1.00 0.53 C ATOM 322 C LYS A 31 -3.367 5.241 -7.101 1.00 0.57 C ATOM 323 O LYS A 31 -4.385 5.924 -6.998 1.00 0.59 O ATOM 324 CB LYS A 31 -2.007 6.264 -9.020 1.00 0.59 C ATOM 325 CG LYS A 31 -0.959 7.380 -9.083 1.00 0.57 C ATOM 326 CD LYS A 31 -0.657 7.837 -10.492 1.00 0.72 C ATOM 327 CE LYS A 31 0.345 8.971 -10.313 1.00 0.78 C ATOM 328 NZ LYS A 31 0.805 9.464 -11.628 1.00 1.07 N ATOM 0 H LYS A 31 -0.431 4.615 -7.923 1.00 0.49 H new ATOM 0 HA LYS A 31 -2.059 6.824 -6.979 1.00 0.53 H new ATOM 0 HB2 LYS A 31 -1.720 5.412 -9.637 1.00 0.59 H new ATOM 0 HB3 LYS A 31 -2.977 6.607 -9.381 1.00 0.59 H new ATOM 0 HG2 LYS A 31 -1.309 8.231 -8.499 1.00 0.57 H new ATOM 0 HG3 LYS A 31 -0.038 7.031 -8.616 1.00 0.57 H new ATOM 0 HD2 LYS A 31 -0.240 7.028 -11.092 1.00 0.72 H new ATOM 0 HD3 LYS A 31 -1.558 8.179 -11.001 1.00 0.72 H new ATOM 0 HE2 LYS A 31 -0.114 9.785 -9.752 1.00 0.78 H new ATOM 0 HE3 LYS A 31 1.197 8.623 -9.729 1.00 0.78 H new ATOM 0 HZ1 LYS A 31 1.648 10.060 -11.500 1.00 1.07 H new ATOM 0 HZ2 LYS A 31 1.042 8.656 -12.238 1.00 1.07 H new ATOM 0 HZ3 LYS A 31 0.050 10.024 -12.072 1.00 1.07 H new ATOM 342 N SER A 32 -3.342 3.953 -6.773 1.00 0.59 N ATOM 343 CA SER A 32 -4.436 3.278 -6.067 1.00 0.62 C ATOM 344 C SER A 32 -4.649 3.807 -4.634 1.00 0.54 C ATOM 345 O SER A 32 -5.781 3.842 -4.153 1.00 0.71 O ATOM 346 CB SER A 32 -4.135 1.783 -6.061 1.00 0.77 C ATOM 347 OG SER A 32 -5.333 1.051 -5.924 1.00 1.09 O ATOM 0 H SER A 32 -2.557 3.339 -6.990 1.00 0.59 H new ATOM 0 HA SER A 32 -5.370 3.483 -6.591 1.00 0.62 H new ATOM 0 HB2 SER A 32 -3.631 1.501 -6.985 1.00 0.77 H new ATOM 0 HB3 SER A 32 -3.457 1.543 -5.242 1.00 0.77 H new ATOM 0 HG SER A 32 -5.958 1.549 -5.357 1.00 1.09 H new ATOM 353 N LEU A 33 -3.580 4.282 -3.981 1.00 0.44 N ATOM 354 CA LEU A 33 -3.580 4.849 -2.621 1.00 0.44 C ATOM 355 C LEU A 33 -3.888 6.357 -2.614 1.00 0.40 C ATOM 356 O LEU A 33 -4.523 6.880 -1.699 1.00 0.48 O ATOM 357 CB LEU A 33 -2.184 4.650 -1.988 1.00 0.52 C ATOM 358 CG LEU A 33 -1.516 3.271 -2.140 1.00 0.42 C ATOM 359 CD1 LEU A 33 -0.006 3.346 -1.911 1.00 0.62 C ATOM 360 CD2 LEU A 33 -2.079 2.255 -1.162 1.00 0.49 C ATOM 0 H LEU A 33 -2.651 4.283 -4.402 1.00 0.44 H new ATOM 0 HA LEU A 33 -4.358 4.333 -2.058 1.00 0.44 H new ATOM 0 HB2 LEU A 33 -1.513 5.396 -2.415 1.00 0.52 H new ATOM 0 HB3 LEU A 33 -2.265 4.867 -0.923 1.00 0.52 H new ATOM 0 HG LEU A 33 -1.725 2.955 -3.162 1.00 0.42 H new ATOM 0 HD11 LEU A 33 0.429 2.353 -2.027 1.00 0.62 H new ATOM 0 HD12 LEU A 33 0.439 4.025 -2.639 1.00 0.62 H new ATOM 0 HD13 LEU A 33 0.191 3.713 -0.904 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -1.579 1.297 -1.305 1.00 0.49 H new ATOM 0 HD22 LEU A 33 -1.914 2.602 -0.142 1.00 0.49 H new ATOM 0 HD23 LEU A 33 -3.148 2.136 -1.336 1.00 0.49 H new ATOM 372 N GLN A 34 -3.397 7.069 -3.630 1.00 0.38 N ATOM 373 CA GLN A 34 -3.424 8.514 -3.737 1.00 0.45 C ATOM 374 C GLN A 34 -4.859 9.006 -3.982 1.00 0.52 C ATOM 375 O GLN A 34 -5.537 8.563 -4.914 1.00 0.62 O ATOM 376 CB GLN A 34 -2.414 8.831 -4.841 1.00 0.61 C ATOM 377 CG GLN A 34 -2.225 10.296 -5.199 1.00 1.34 C ATOM 378 CD GLN A 34 -1.089 10.463 -6.184 1.00 1.25 C ATOM 379 OE1 GLN A 34 -1.268 10.571 -7.389 1.00 1.76 O ATOM 380 NE2 GLN A 34 0.125 10.430 -5.718 1.00 1.14 N ATOM 0 H GLN A 34 -2.951 6.626 -4.433 1.00 0.38 H new ATOM 0 HA GLN A 34 -3.137 9.043 -2.828 1.00 0.45 H new ATOM 0 HB2 GLN A 34 -1.447 8.427 -4.542 1.00 0.61 H new ATOM 0 HB3 GLN A 34 -2.717 8.298 -5.742 1.00 0.61 H new ATOM 0 HG2 GLN A 34 -3.146 10.693 -5.627 1.00 1.34 H new ATOM 0 HG3 GLN A 34 -2.019 10.872 -4.297 1.00 1.34 H new ATOM 0 HE21 GLN A 34 0.284 10.340 -4.714 1.00 1.14 H new ATOM 0 HE22 GLN A 34 0.918 10.494 -6.356 1.00 1.14 H new ATOM 389 N GLY A 35 -5.329 9.904 -3.117 1.00 0.60 N ATOM 390 CA GLY A 35 -6.714 10.385 -3.085 1.00 0.76 C ATOM 391 C GLY A 35 -7.709 9.490 -2.326 1.00 0.72 C ATOM 392 O GLY A 35 -8.914 9.636 -2.540 1.00 0.96 O ATOM 0 H GLY A 35 -4.743 10.330 -2.399 1.00 0.60 H new ATOM 0 HA2 GLY A 35 -6.725 11.376 -2.632 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -7.064 10.499 -4.111 1.00 0.76 H new ATOM 396 N VAL A 36 -7.268 8.567 -1.460 1.00 0.52 N ATOM 397 CA VAL A 36 -8.144 7.774 -0.582 1.00 0.55 C ATOM 398 C VAL A 36 -8.317 8.506 0.750 1.00 0.51 C ATOM 399 O VAL A 36 -7.348 8.976 1.354 1.00 0.52 O ATOM 400 CB VAL A 36 -7.603 6.343 -0.380 1.00 0.63 C ATOM 401 CG1 VAL A 36 -8.450 5.524 0.604 1.00 0.84 C ATOM 402 CG2 VAL A 36 -7.591 5.576 -1.710 1.00 0.81 C ATOM 0 H VAL A 36 -6.279 8.346 -1.347 1.00 0.52 H new ATOM 0 HA VAL A 36 -9.119 7.669 -1.057 1.00 0.55 H new ATOM 0 HB VAL A 36 -6.596 6.462 0.021 1.00 0.63 H new ATOM 0 HG11 VAL A 36 -8.024 4.526 0.708 1.00 0.84 H new ATOM 0 HG12 VAL A 36 -8.458 6.018 1.576 1.00 0.84 H new ATOM 0 HG13 VAL A 36 -9.470 5.445 0.228 1.00 0.84 H new ATOM 0 HG21 VAL A 36 -7.206 4.569 -1.546 1.00 0.81 H new ATOM 0 HG22 VAL A 36 -8.605 5.517 -2.105 1.00 0.81 H new ATOM 0 HG23 VAL A 36 -6.953 6.096 -2.424 1.00 0.81 H new ATOM 412 N ALA A 37 -9.561 8.595 1.209 1.00 0.67 N ATOM 413 CA ALA A 37 -9.919 9.217 2.482 1.00 0.82 C ATOM 414 C ALA A 37 -9.407 8.387 3.678 1.00 0.75 C ATOM 415 O ALA A 37 -9.733 7.205 3.823 1.00 0.80 O ATOM 416 CB ALA A 37 -11.437 9.430 2.528 1.00 1.13 C ATOM 0 H ALA A 37 -10.365 8.230 0.698 1.00 0.67 H new ATOM 0 HA ALA A 37 -9.432 10.189 2.560 1.00 0.82 H new ATOM 0 HB1 ALA A 37 -11.711 9.894 3.476 1.00 1.13 H new ATOM 0 HB2 ALA A 37 -11.738 10.079 1.706 1.00 1.13 H new ATOM 0 HB3 ALA A 37 -11.942 8.469 2.435 1.00 1.13 H new ATOM 422 N GLY A 38 -8.599 9.011 4.538 1.00 0.70 N ATOM 423 CA GLY A 38 -7.944 8.367 5.682 1.00 0.64 C ATOM 424 C GLY A 38 -6.558 7.797 5.363 1.00 0.38 C ATOM 425 O GLY A 38 -5.982 7.104 6.203 1.00 0.32 O ATOM 0 H GLY A 38 -8.376 10.003 4.457 1.00 0.70 H new ATOM 0 HA2 GLY A 38 -7.851 9.092 6.490 1.00 0.64 H new ATOM 0 HA3 GLY A 38 -8.582 7.562 6.048 1.00 0.64 H new ATOM 429 N VAL A 39 -6.004 8.068 4.175 1.00 0.38 N ATOM 430 CA VAL A 39 -4.605 7.799 3.810 1.00 0.50 C ATOM 431 C VAL A 39 -3.872 9.141 3.742 1.00 0.80 C ATOM 432 O VAL A 39 -4.051 9.900 2.791 1.00 1.54 O ATOM 433 CB VAL A 39 -4.543 7.036 2.473 1.00 0.72 C ATOM 434 CG1 VAL A 39 -3.099 6.829 1.994 1.00 2.01 C ATOM 435 CG2 VAL A 39 -5.192 5.649 2.592 1.00 2.12 C ATOM 0 H VAL A 39 -6.534 8.495 3.415 1.00 0.38 H new ATOM 0 HA VAL A 39 -4.121 7.167 4.554 1.00 0.50 H new ATOM 0 HB VAL A 39 -5.085 7.651 1.755 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -3.104 6.287 1.048 1.00 2.01 H new ATOM 0 HG12 VAL A 39 -2.619 7.798 1.855 1.00 2.01 H new ATOM 0 HG13 VAL A 39 -2.547 6.255 2.739 1.00 2.01 H new ATOM 0 HG21 VAL A 39 -5.132 5.136 1.632 1.00 2.12 H new ATOM 0 HG22 VAL A 39 -4.668 5.066 3.349 1.00 2.12 H new ATOM 0 HG23 VAL A 39 -6.237 5.760 2.880 1.00 2.12 H new ATOM 445 N GLN A 40 -3.073 9.453 4.763 1.00 0.40 N ATOM 446 CA GLN A 40 -2.396 10.749 4.909 1.00 0.46 C ATOM 447 C GLN A 40 -1.103 10.823 4.083 1.00 0.39 C ATOM 448 O GLN A 40 -0.834 11.826 3.414 1.00 0.49 O ATOM 449 CB GLN A 40 -2.090 10.975 6.398 1.00 0.61 C ATOM 450 CG GLN A 40 -3.323 11.328 7.251 1.00 0.86 C ATOM 451 CD GLN A 40 -3.922 12.697 6.975 1.00 2.16 C ATOM 452 OE1 GLN A 40 -5.046 12.838 6.512 1.00 3.97 O ATOM 453 NE2 GLN A 40 -3.235 13.757 7.320 1.00 2.18 N ATOM 0 H GLN A 40 -2.873 8.805 5.525 1.00 0.40 H new ATOM 0 HA GLN A 40 -3.056 11.530 4.532 1.00 0.46 H new ATOM 0 HB2 GLN A 40 -1.628 10.075 6.803 1.00 0.61 H new ATOM 0 HB3 GLN A 40 -1.358 11.777 6.489 1.00 0.61 H new ATOM 0 HG2 GLN A 40 -4.090 10.572 7.085 1.00 0.86 H new ATOM 0 HG3 GLN A 40 -3.046 11.275 8.304 1.00 0.86 H new ATOM 0 HE21 GLN A 40 -2.297 13.653 7.707 1.00 2.18 H new ATOM 0 HE22 GLN A 40 -3.638 14.687 7.202 1.00 2.18 H new ATOM 462 N ASP A 41 -0.311 9.750 4.088 1.00 0.33 N ATOM 463 CA ASP A 41 0.930 9.631 3.319 1.00 0.34 C ATOM 464 C ASP A 41 1.186 8.187 2.877 1.00 0.28 C ATOM 465 O ASP A 41 0.608 7.226 3.386 1.00 0.24 O ATOM 466 CB ASP A 41 2.142 10.172 4.105 1.00 0.40 C ATOM 467 CG ASP A 41 2.297 11.692 4.007 1.00 0.72 C ATOM 468 OD1 ASP A 41 2.530 12.192 2.879 1.00 1.74 O ATOM 469 OD2 ASP A 41 2.199 12.414 5.029 1.00 1.62 O ATOM 0 H ASP A 41 -0.519 8.918 4.641 1.00 0.33 H new ATOM 0 HA ASP A 41 0.804 10.243 2.426 1.00 0.34 H new ATOM 0 HB2 ASP A 41 2.041 9.891 5.153 1.00 0.40 H new ATOM 0 HB3 ASP A 41 3.049 9.696 3.733 1.00 0.40 H new ATOM 474 N VAL A 42 2.087 8.054 1.913 1.00 0.29 N ATOM 475 CA VAL A 42 2.537 6.797 1.307 1.00 0.29 C ATOM 476 C VAL A 42 4.017 6.862 0.929 1.00 0.30 C ATOM 477 O VAL A 42 4.547 7.944 0.652 1.00 0.36 O ATOM 478 CB VAL A 42 1.714 6.444 0.051 1.00 0.39 C ATOM 479 CG1 VAL A 42 0.238 6.217 0.385 1.00 0.83 C ATOM 480 CG2 VAL A 42 1.787 7.467 -1.097 1.00 0.55 C ATOM 0 H VAL A 42 2.554 8.864 1.506 1.00 0.29 H new ATOM 0 HA VAL A 42 2.389 6.020 2.057 1.00 0.29 H new ATOM 0 HB VAL A 42 2.186 5.527 -0.302 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -0.307 5.971 -0.526 1.00 0.83 H new ATOM 0 HG12 VAL A 42 0.148 5.395 1.095 1.00 0.83 H new ATOM 0 HG13 VAL A 42 -0.179 7.123 0.824 1.00 0.83 H new ATOM 0 HG21 VAL A 42 1.174 7.123 -1.930 1.00 0.55 H new ATOM 0 HG22 VAL A 42 1.418 8.432 -0.749 1.00 0.55 H new ATOM 0 HG23 VAL A 42 2.821 7.571 -1.426 1.00 0.55 H new ATOM 490 N GLU A 43 4.683 5.712 0.846 1.00 0.32 N ATOM 491 CA GLU A 43 5.964 5.573 0.154 1.00 0.41 C ATOM 492 C GLU A 43 6.146 4.153 -0.405 1.00 0.41 C ATOM 493 O GLU A 43 5.875 3.163 0.272 1.00 0.54 O ATOM 494 CB GLU A 43 7.119 5.991 1.081 1.00 0.57 C ATOM 495 CG GLU A 43 8.448 5.954 0.319 1.00 0.79 C ATOM 496 CD GLU A 43 9.446 7.012 0.807 1.00 1.47 C ATOM 497 OE1 GLU A 43 10.065 6.839 1.885 1.00 2.20 O ATOM 498 OE2 GLU A 43 9.639 8.046 0.118 1.00 2.76 O ATOM 0 H GLU A 43 4.346 4.843 1.260 1.00 0.32 H new ATOM 0 HA GLU A 43 5.972 6.245 -0.704 1.00 0.41 H new ATOM 0 HB2 GLU A 43 6.940 6.995 1.467 1.00 0.57 H new ATOM 0 HB3 GLU A 43 7.165 5.322 1.941 1.00 0.57 H new ATOM 0 HG2 GLU A 43 8.894 4.965 0.425 1.00 0.79 H new ATOM 0 HG3 GLU A 43 8.256 6.105 -0.743 1.00 0.79 H new ATOM 505 N VAL A 44 6.610 4.040 -1.652 1.00 0.33 N ATOM 506 CA VAL A 44 6.843 2.752 -2.320 1.00 0.29 C ATOM 507 C VAL A 44 8.326 2.426 -2.410 1.00 0.32 C ATOM 508 O VAL A 44 9.153 3.278 -2.741 1.00 0.48 O ATOM 509 CB VAL A 44 6.135 2.696 -3.687 1.00 0.46 C ATOM 510 CG1 VAL A 44 6.624 1.584 -4.616 1.00 1.39 C ATOM 511 CG2 VAL A 44 4.654 2.419 -3.444 1.00 1.52 C ATOM 0 H VAL A 44 6.837 4.846 -2.234 1.00 0.33 H new ATOM 0 HA VAL A 44 6.397 1.970 -1.705 1.00 0.29 H new ATOM 0 HB VAL A 44 6.344 3.651 -4.168 1.00 0.46 H new ATOM 0 HG11 VAL A 44 6.069 1.623 -5.553 1.00 1.39 H new ATOM 0 HG12 VAL A 44 7.687 1.719 -4.818 1.00 1.39 H new ATOM 0 HG13 VAL A 44 6.465 0.616 -4.140 1.00 1.39 H new ATOM 0 HG21 VAL A 44 4.131 2.375 -4.399 1.00 1.52 H new ATOM 0 HG22 VAL A 44 4.542 1.467 -2.925 1.00 1.52 H new ATOM 0 HG23 VAL A 44 4.230 3.217 -2.834 1.00 1.52 H new ATOM 521 N HIS A 45 8.632 1.159 -2.138 1.00 0.30 N ATOM 522 CA HIS A 45 9.948 0.553 -2.293 1.00 0.30 C ATOM 523 C HIS A 45 9.885 -0.626 -3.270 1.00 0.28 C ATOM 524 O HIS A 45 9.765 -1.789 -2.877 1.00 0.31 O ATOM 525 CB HIS A 45 10.465 0.115 -0.925 1.00 0.39 C ATOM 526 CG HIS A 45 10.748 1.238 0.037 1.00 0.48 C ATOM 527 ND1 HIS A 45 11.998 1.656 0.422 1.00 0.62 N ATOM 528 CD2 HIS A 45 9.842 2.010 0.712 1.00 0.56 C ATOM 529 CE1 HIS A 45 11.861 2.642 1.317 1.00 0.76 C ATOM 530 NE2 HIS A 45 10.558 2.914 1.507 1.00 0.72 N ATOM 0 H HIS A 45 7.937 0.500 -1.788 1.00 0.30 H new ATOM 0 HA HIS A 45 10.640 1.285 -2.710 1.00 0.30 H new ATOM 0 HB2 HIS A 45 9.733 -0.554 -0.474 1.00 0.39 H new ATOM 0 HB3 HIS A 45 11.379 -0.462 -1.066 1.00 0.39 H new ATOM 0 HD2 HIS A 45 8.767 1.936 0.644 1.00 0.56 H new ATOM 0 HE1 HIS A 45 12.677 3.145 1.814 1.00 0.76 H new ATOM 0 HE2 HIS A 45 10.168 3.637 2.111 1.00 0.72 H new ATOM 538 N LEU A 46 9.977 -0.315 -4.561 1.00 0.29 N ATOM 539 CA LEU A 46 10.017 -1.279 -5.662 1.00 0.34 C ATOM 540 C LEU A 46 11.162 -2.294 -5.503 1.00 0.37 C ATOM 541 O LEU A 46 10.986 -3.483 -5.764 1.00 0.50 O ATOM 542 CB LEU A 46 10.159 -0.437 -6.945 1.00 0.43 C ATOM 543 CG LEU A 46 9.942 -1.116 -8.312 1.00 0.65 C ATOM 544 CD1 LEU A 46 11.207 -1.786 -8.830 1.00 1.36 C ATOM 545 CD2 LEU A 46 8.782 -2.113 -8.334 1.00 0.93 C ATOM 0 H LEU A 46 10.028 0.652 -4.883 1.00 0.29 H new ATOM 0 HA LEU A 46 9.113 -1.888 -5.688 1.00 0.34 H new ATOM 0 HB2 LEU A 46 9.455 0.392 -6.874 1.00 0.43 H new ATOM 0 HB3 LEU A 46 11.160 -0.006 -6.947 1.00 0.43 H new ATOM 0 HG LEU A 46 9.674 -0.298 -8.980 1.00 0.65 H new ATOM 0 HD11 LEU A 46 11.004 -2.250 -9.795 1.00 1.36 H new ATOM 0 HD12 LEU A 46 11.993 -1.040 -8.945 1.00 1.36 H new ATOM 0 HD13 LEU A 46 11.531 -2.549 -8.122 1.00 1.36 H new ATOM 0 HD21 LEU A 46 8.694 -2.547 -9.330 1.00 0.93 H new ATOM 0 HD22 LEU A 46 8.969 -2.904 -7.608 1.00 0.93 H new ATOM 0 HD23 LEU A 46 7.855 -1.599 -8.080 1.00 0.93 H new ATOM 557 N GLU A 47 12.310 -1.843 -5.000 1.00 0.38 N ATOM 558 CA GLU A 47 13.514 -2.670 -4.783 1.00 0.55 C ATOM 559 C GLU A 47 13.402 -3.669 -3.616 1.00 0.58 C ATOM 560 O GLU A 47 14.182 -4.625 -3.559 1.00 0.85 O ATOM 561 CB GLU A 47 14.738 -1.755 -4.606 1.00 0.68 C ATOM 562 CG GLU A 47 15.390 -1.398 -5.948 1.00 1.24 C ATOM 563 CD GLU A 47 16.295 -2.527 -6.461 1.00 3.43 C ATOM 564 OE1 GLU A 47 17.332 -2.811 -5.810 1.00 4.27 O ATOM 565 OE2 GLU A 47 15.973 -3.145 -7.506 1.00 4.91 O ATOM 0 H GLU A 47 12.440 -0.870 -4.723 1.00 0.38 H new ATOM 0 HA GLU A 47 13.627 -3.290 -5.672 1.00 0.55 H new ATOM 0 HB2 GLU A 47 14.436 -0.841 -4.096 1.00 0.68 H new ATOM 0 HB3 GLU A 47 15.470 -2.249 -3.968 1.00 0.68 H new ATOM 0 HG2 GLU A 47 14.614 -1.191 -6.685 1.00 1.24 H new ATOM 0 HG3 GLU A 47 15.975 -0.485 -5.836 1.00 1.24 H new ATOM 572 N ASP A 48 12.435 -3.490 -2.713 1.00 0.36 N ATOM 573 CA ASP A 48 12.108 -4.396 -1.615 1.00 0.33 C ATOM 574 C ASP A 48 10.719 -5.060 -1.782 1.00 0.40 C ATOM 575 O ASP A 48 10.299 -5.834 -0.912 1.00 0.59 O ATOM 576 CB ASP A 48 12.201 -3.581 -0.313 1.00 0.54 C ATOM 577 CG ASP A 48 13.554 -3.759 0.388 1.00 1.37 C ATOM 578 OD1 ASP A 48 13.740 -4.813 1.048 1.00 1.66 O ATOM 579 OD2 ASP A 48 14.438 -2.874 0.270 1.00 2.45 O ATOM 0 H ASP A 48 11.831 -2.668 -2.731 1.00 0.36 H new ATOM 0 HA ASP A 48 12.814 -5.227 -1.599 1.00 0.33 H new ATOM 0 HB2 ASP A 48 12.045 -2.525 -0.536 1.00 0.54 H new ATOM 0 HB3 ASP A 48 11.401 -3.886 0.362 1.00 0.54 H new ATOM 584 N GLN A 49 10.006 -4.729 -2.873 1.00 0.39 N ATOM 585 CA GLN A 49 8.579 -5.001 -3.126 1.00 0.47 C ATOM 586 C GLN A 49 7.692 -4.674 -1.909 1.00 0.51 C ATOM 587 O GLN A 49 6.817 -5.458 -1.528 1.00 0.67 O ATOM 588 CB GLN A 49 8.350 -6.424 -3.668 1.00 0.55 C ATOM 589 CG GLN A 49 9.267 -6.849 -4.828 1.00 0.58 C ATOM 590 CD GLN A 49 10.630 -7.370 -4.375 1.00 1.47 C ATOM 591 OE1 GLN A 49 10.783 -8.021 -3.345 1.00 2.02 O ATOM 592 NE2 GLN A 49 11.679 -7.105 -5.112 1.00 2.35 N ATOM 0 H GLN A 49 10.438 -4.232 -3.652 1.00 0.39 H new ATOM 0 HA GLN A 49 8.264 -4.318 -3.915 1.00 0.47 H new ATOM 0 HB2 GLN A 49 8.479 -7.131 -2.848 1.00 0.55 H new ATOM 0 HB3 GLN A 49 7.315 -6.505 -3.999 1.00 0.55 H new ATOM 0 HG2 GLN A 49 8.767 -7.624 -5.410 1.00 0.58 H new ATOM 0 HG3 GLN A 49 9.416 -5.998 -5.492 1.00 0.58 H new ATOM 0 HE21 GLN A 49 11.575 -6.566 -5.972 1.00 2.35 H new ATOM 0 HE22 GLN A 49 12.600 -7.438 -4.827 1.00 2.35 H new ATOM 601 N MET A 50 7.971 -3.539 -1.260 1.00 0.43 N ATOM 602 CA MET A 50 7.330 -3.113 -0.014 1.00 0.46 C ATOM 603 C MET A 50 6.599 -1.779 -0.198 1.00 0.46 C ATOM 604 O MET A 50 7.082 -0.900 -0.917 1.00 0.55 O ATOM 605 CB MET A 50 8.379 -2.985 1.106 1.00 0.49 C ATOM 606 CG MET A 50 7.780 -3.000 2.525 1.00 0.71 C ATOM 607 SD MET A 50 8.106 -4.520 3.463 1.00 1.51 S ATOM 608 CE MET A 50 7.454 -5.767 2.329 1.00 1.56 C ATOM 0 H MET A 50 8.668 -2.874 -1.597 1.00 0.43 H new ATOM 0 HA MET A 50 6.597 -3.870 0.264 1.00 0.46 H new ATOM 0 HB2 MET A 50 9.095 -3.802 1.015 1.00 0.49 H new ATOM 0 HB3 MET A 50 8.934 -2.058 0.966 1.00 0.49 H new ATOM 0 HG2 MET A 50 8.177 -2.152 3.082 1.00 0.71 H new ATOM 0 HG3 MET A 50 6.702 -2.857 2.452 1.00 0.71 H new ATOM 0 HE1 MET A 50 7.723 -6.761 2.687 1.00 1.56 H new ATOM 0 HE2 MET A 50 6.369 -5.681 2.279 1.00 1.56 H new ATOM 0 HE3 MET A 50 7.877 -5.613 1.336 1.00 1.56 H new ATOM 618 N VAL A 51 5.460 -1.593 0.473 1.00 0.37 N ATOM 619 CA VAL A 51 4.701 -0.335 0.429 1.00 0.37 C ATOM 620 C VAL A 51 4.316 0.149 1.822 1.00 0.33 C ATOM 621 O VAL A 51 3.649 -0.569 2.563 1.00 0.41 O ATOM 622 CB VAL A 51 3.456 -0.469 -0.466 1.00 0.41 C ATOM 623 CG1 VAL A 51 2.863 0.915 -0.722 1.00 0.70 C ATOM 624 CG2 VAL A 51 3.828 -1.060 -1.826 1.00 0.86 C ATOM 0 H VAL A 51 5.035 -2.309 1.063 1.00 0.37 H new ATOM 0 HA VAL A 51 5.357 0.418 -0.007 1.00 0.37 H new ATOM 0 HB VAL A 51 2.745 -1.119 0.044 1.00 0.41 H new ATOM 0 HG11 VAL A 51 1.981 0.821 -1.356 1.00 0.70 H new ATOM 0 HG12 VAL A 51 2.581 1.371 0.227 1.00 0.70 H new ATOM 0 HG13 VAL A 51 3.603 1.541 -1.220 1.00 0.70 H new ATOM 0 HG21 VAL A 51 2.933 -1.146 -2.442 1.00 0.86 H new ATOM 0 HG22 VAL A 51 4.548 -0.409 -2.321 1.00 0.86 H new ATOM 0 HG23 VAL A 51 4.268 -2.047 -1.686 1.00 0.86 H new ATOM 634 N LEU A 52 4.717 1.382 2.138 1.00 0.37 N ATOM 635 CA LEU A 52 4.312 2.144 3.315 1.00 0.37 C ATOM 636 C LEU A 52 3.008 2.880 3.024 1.00 0.26 C ATOM 637 O LEU A 52 2.905 3.617 2.041 1.00 0.25 O ATOM 638 CB LEU A 52 5.398 3.171 3.701 1.00 0.46 C ATOM 639 CG LEU A 52 6.664 2.589 4.352 1.00 0.60 C ATOM 640 CD1 LEU A 52 7.657 2.029 3.335 1.00 0.99 C ATOM 641 CD2 LEU A 52 7.384 3.689 5.134 1.00 1.19 C ATOM 0 H LEU A 52 5.367 1.901 1.547 1.00 0.37 H new ATOM 0 HA LEU A 52 4.172 1.450 4.144 1.00 0.37 H new ATOM 0 HB2 LEU A 52 5.691 3.717 2.804 1.00 0.46 H new ATOM 0 HB3 LEU A 52 4.959 3.896 4.387 1.00 0.46 H new ATOM 0 HG LEU A 52 6.332 1.774 4.996 1.00 0.60 H new ATOM 0 HD11 LEU A 52 8.528 1.633 3.857 1.00 0.99 H new ATOM 0 HD12 LEU A 52 7.182 1.231 2.765 1.00 0.99 H new ATOM 0 HD13 LEU A 52 7.970 2.823 2.657 1.00 0.99 H new ATOM 0 HD21 LEU A 52 8.282 3.279 5.596 1.00 1.19 H new ATOM 0 HD22 LEU A 52 7.662 4.496 4.455 1.00 1.19 H new ATOM 0 HD23 LEU A 52 6.722 4.078 5.908 1.00 1.19 H new ATOM 653 N VAL A 53 2.034 2.709 3.912 1.00 0.20 N ATOM 654 CA VAL A 53 0.733 3.377 3.864 1.00 0.17 C ATOM 655 C VAL A 53 0.430 3.930 5.257 1.00 0.16 C ATOM 656 O VAL A 53 0.180 3.170 6.192 1.00 0.15 O ATOM 657 CB VAL A 53 -0.351 2.404 3.359 1.00 0.19 C ATOM 658 CG1 VAL A 53 -1.696 3.123 3.198 1.00 0.22 C ATOM 659 CG2 VAL A 53 0.001 1.773 2.005 1.00 0.25 C ATOM 0 H VAL A 53 2.129 2.082 4.711 1.00 0.20 H new ATOM 0 HA VAL A 53 0.747 4.208 3.159 1.00 0.17 H new ATOM 0 HB VAL A 53 -0.414 1.618 4.112 1.00 0.19 H new ATOM 0 HG11 VAL A 53 -2.446 2.417 2.841 1.00 0.22 H new ATOM 0 HG12 VAL A 53 -2.009 3.529 4.160 1.00 0.22 H new ATOM 0 HG13 VAL A 53 -1.591 3.935 2.479 1.00 0.22 H new ATOM 0 HG21 VAL A 53 -0.798 1.097 1.700 1.00 0.25 H new ATOM 0 HG22 VAL A 53 0.118 2.558 1.257 1.00 0.25 H new ATOM 0 HG23 VAL A 53 0.933 1.215 2.095 1.00 0.25 H new ATOM 669 N HIS A 54 0.480 5.254 5.398 1.00 0.19 N ATOM 670 CA HIS A 54 0.204 5.990 6.633 1.00 0.19 C ATOM 671 C HIS A 54 -1.307 6.277 6.705 1.00 0.21 C ATOM 672 O HIS A 54 -1.809 7.177 6.025 1.00 0.25 O ATOM 673 CB HIS A 54 1.035 7.289 6.650 1.00 0.25 C ATOM 674 CG HIS A 54 2.534 7.144 6.538 1.00 0.31 C ATOM 675 ND1 HIS A 54 3.444 7.578 7.472 1.00 0.55 N ATOM 676 CD2 HIS A 54 3.256 6.690 5.463 1.00 0.30 C ATOM 677 CE1 HIS A 54 4.677 7.365 6.989 1.00 0.64 C ATOM 678 NE2 HIS A 54 4.617 6.831 5.756 1.00 0.47 N ATOM 0 H HIS A 54 0.724 5.870 4.622 1.00 0.19 H new ATOM 0 HA HIS A 54 0.487 5.404 7.508 1.00 0.19 H new ATOM 0 HB2 HIS A 54 0.693 7.921 5.830 1.00 0.25 H new ATOM 0 HB3 HIS A 54 0.814 7.821 7.576 1.00 0.25 H new ATOM 0 HD2 HIS A 54 2.844 6.292 4.547 1.00 0.30 H new ATOM 0 HE1 HIS A 54 5.592 7.591 7.517 1.00 0.64 H new ATOM 0 HE2 HIS A 54 5.403 6.580 5.157 1.00 0.47 H new ATOM 686 N THR A 55 -2.063 5.479 7.468 1.00 0.21 N ATOM 687 CA THR A 55 -3.535 5.449 7.379 1.00 0.23 C ATOM 688 C THR A 55 -4.253 5.099 8.690 1.00 0.25 C ATOM 689 O THR A 55 -3.706 4.413 9.556 1.00 0.27 O ATOM 690 CB THR A 55 -3.967 4.478 6.264 1.00 0.26 C ATOM 691 OG1 THR A 55 -5.361 4.496 6.088 1.00 0.30 O ATOM 692 CG2 THR A 55 -3.583 3.019 6.515 1.00 0.27 C ATOM 0 H THR A 55 -1.678 4.838 8.162 1.00 0.21 H new ATOM 0 HA THR A 55 -3.839 6.470 7.147 1.00 0.23 H new ATOM 0 HB THR A 55 -3.435 4.837 5.383 1.00 0.26 H new ATOM 0 HG1 THR A 55 -5.691 5.414 6.181 1.00 0.30 H new ATOM 0 HG21 THR A 55 -3.925 2.404 5.682 1.00 0.27 H new ATOM 0 HG22 THR A 55 -2.500 2.938 6.605 1.00 0.27 H new ATOM 0 HG23 THR A 55 -4.051 2.673 7.437 1.00 0.27 H new ATOM 700 N THR A 56 -5.507 5.548 8.830 1.00 0.26 N ATOM 701 CA THR A 56 -6.424 5.182 9.930 1.00 0.27 C ATOM 702 C THR A 56 -7.195 3.878 9.678 1.00 0.30 C ATOM 703 O THR A 56 -7.835 3.362 10.594 1.00 0.38 O ATOM 704 CB THR A 56 -7.434 6.311 10.208 1.00 0.34 C ATOM 705 OG1 THR A 56 -8.229 6.543 9.067 1.00 0.42 O ATOM 706 CG2 THR A 56 -6.754 7.638 10.530 1.00 0.36 C ATOM 0 H THR A 56 -5.929 6.195 8.164 1.00 0.26 H new ATOM 0 HA THR A 56 -5.783 5.025 10.798 1.00 0.27 H new ATOM 0 HB THR A 56 -8.024 5.980 11.063 1.00 0.34 H new ATOM 0 HG1 THR A 56 -8.869 7.261 9.255 1.00 0.42 H new ATOM 0 HG21 THR A 56 -7.512 8.399 10.718 1.00 0.36 H new ATOM 0 HG22 THR A 56 -6.130 7.521 11.416 1.00 0.36 H new ATOM 0 HG23 THR A 56 -6.134 7.943 9.687 1.00 0.36 H new ATOM 714 N LEU A 57 -7.144 3.325 8.460 1.00 0.31 N ATOM 715 CA LEU A 57 -7.913 2.147 8.030 1.00 0.35 C ATOM 716 C LEU A 57 -7.471 0.835 8.724 1.00 0.42 C ATOM 717 O LEU A 57 -6.353 0.768 9.256 1.00 0.60 O ATOM 718 CB LEU A 57 -7.796 2.031 6.495 1.00 0.36 C ATOM 719 CG LEU A 57 -8.441 3.186 5.703 1.00 0.37 C ATOM 720 CD1 LEU A 57 -8.172 2.988 4.211 1.00 0.44 C ATOM 721 CD2 LEU A 57 -9.952 3.263 5.921 1.00 0.47 C ATOM 0 H LEU A 57 -6.547 3.696 7.721 1.00 0.31 H new ATOM 0 HA LEU A 57 -8.952 2.290 8.328 1.00 0.35 H new ATOM 0 HB2 LEU A 57 -6.740 1.973 6.230 1.00 0.36 H new ATOM 0 HB3 LEU A 57 -8.255 1.094 6.180 1.00 0.36 H new ATOM 0 HG LEU A 57 -7.999 4.115 6.062 1.00 0.37 H new ATOM 0 HD11 LEU A 57 -8.627 3.803 3.648 1.00 0.44 H new ATOM 0 HD12 LEU A 57 -7.097 2.980 4.033 1.00 0.44 H new ATOM 0 HD13 LEU A 57 -8.601 2.040 3.887 1.00 0.44 H new ATOM 0 HD21 LEU A 57 -10.361 4.092 5.343 1.00 0.47 H new ATOM 0 HD22 LEU A 57 -10.414 2.331 5.596 1.00 0.47 H new ATOM 0 HD23 LEU A 57 -10.159 3.422 6.979 1.00 0.47 H new ATOM 733 N PRO A 58 -8.297 -0.234 8.698 1.00 0.37 N ATOM 734 CA PRO A 58 -7.909 -1.573 9.139 1.00 0.40 C ATOM 735 C PRO A 58 -7.092 -2.244 8.034 1.00 0.34 C ATOM 736 O PRO A 58 -7.466 -2.180 6.862 1.00 0.34 O ATOM 737 CB PRO A 58 -9.218 -2.341 9.400 1.00 0.46 C ATOM 738 CG PRO A 58 -10.340 -1.343 9.089 1.00 0.51 C ATOM 739 CD PRO A 58 -9.655 -0.334 8.178 1.00 0.36 C ATOM 0 HA PRO A 58 -7.296 -1.550 10.040 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -9.290 -3.224 8.765 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -9.273 -2.686 10.433 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -11.184 -1.825 8.596 1.00 0.51 H new ATOM 0 HG3 PRO A 58 -10.725 -0.874 9.994 1.00 0.51 H new ATOM 0 HD2 PRO A 58 -9.659 -0.669 7.141 1.00 0.36 H new ATOM 0 HD3 PRO A 58 -10.161 0.631 8.203 1.00 0.36 H new ATOM 747 N SER A 59 -6.021 -2.965 8.357 1.00 0.32 N ATOM 748 CA SER A 59 -5.203 -3.633 7.326 1.00 0.32 C ATOM 749 C SER A 59 -5.938 -4.761 6.588 1.00 0.41 C ATOM 750 O SER A 59 -5.520 -5.139 5.491 1.00 0.60 O ATOM 751 CB SER A 59 -3.868 -4.148 7.869 1.00 0.34 C ATOM 752 OG SER A 59 -3.757 -4.047 9.281 1.00 0.65 O ATOM 0 H SER A 59 -5.695 -3.106 9.313 1.00 0.32 H new ATOM 0 HA SER A 59 -4.999 -2.847 6.599 1.00 0.32 H new ATOM 0 HB2 SER A 59 -3.743 -5.190 7.576 1.00 0.34 H new ATOM 0 HB3 SER A 59 -3.056 -3.587 7.407 1.00 0.34 H new ATOM 0 HG SER A 59 -2.885 -4.392 9.566 1.00 0.65 H new ATOM 758 N GLN A 60 -7.059 -5.249 7.129 1.00 0.42 N ATOM 759 CA GLN A 60 -8.014 -6.087 6.392 1.00 0.50 C ATOM 760 C GLN A 60 -8.562 -5.363 5.150 1.00 0.51 C ATOM 761 O GLN A 60 -8.705 -5.966 4.087 1.00 0.61 O ATOM 762 CB GLN A 60 -9.209 -6.467 7.286 1.00 0.55 C ATOM 763 CG GLN A 60 -8.859 -7.058 8.663 1.00 0.78 C ATOM 764 CD GLN A 60 -10.086 -7.591 9.393 1.00 1.93 C ATOM 765 OE1 GLN A 60 -11.075 -8.002 8.800 1.00 3.45 O ATOM 766 NE2 GLN A 60 -10.059 -7.677 10.701 1.00 2.33 N ATOM 0 H GLN A 60 -7.332 -5.073 8.096 1.00 0.42 H new ATOM 0 HA GLN A 60 -7.472 -6.981 6.083 1.00 0.50 H new ATOM 0 HB2 GLN A 60 -9.820 -5.578 7.439 1.00 0.55 H new ATOM 0 HB3 GLN A 60 -9.825 -7.188 6.749 1.00 0.55 H new ATOM 0 HG2 GLN A 60 -8.136 -7.864 8.537 1.00 0.78 H new ATOM 0 HG3 GLN A 60 -8.380 -6.292 9.273 1.00 0.78 H new ATOM 0 HE21 GLN A 60 -9.246 -7.341 11.217 1.00 2.33 H new ATOM 0 HE22 GLN A 60 -10.851 -8.080 11.202 1.00 2.33 H new ATOM 775 N GLU A 61 -8.844 -4.063 5.276 1.00 0.48 N ATOM 776 CA GLU A 61 -9.446 -3.227 4.239 1.00 0.55 C ATOM 777 C GLU A 61 -8.402 -2.802 3.201 1.00 0.54 C ATOM 778 O GLU A 61 -8.598 -2.982 2.000 1.00 0.67 O ATOM 779 CB GLU A 61 -10.084 -2.009 4.928 1.00 0.61 C ATOM 780 CG GLU A 61 -11.156 -1.356 4.069 1.00 0.87 C ATOM 781 CD GLU A 61 -11.737 -0.081 4.688 1.00 1.26 C ATOM 782 OE1 GLU A 61 -12.183 -0.103 5.859 1.00 2.10 O ATOM 783 OE2 GLU A 61 -11.824 0.931 3.952 1.00 2.29 O ATOM 0 H GLU A 61 -8.652 -3.547 6.135 1.00 0.48 H new ATOM 0 HA GLU A 61 -10.209 -3.787 3.699 1.00 0.55 H new ATOM 0 HB2 GLU A 61 -10.521 -2.319 5.877 1.00 0.61 H new ATOM 0 HB3 GLU A 61 -9.310 -1.277 5.157 1.00 0.61 H new ATOM 0 HG2 GLU A 61 -10.734 -1.118 3.093 1.00 0.87 H new ATOM 0 HG3 GLU A 61 -11.962 -2.070 3.902 1.00 0.87 H new ATOM 790 N VAL A 62 -7.241 -2.318 3.659 1.00 0.43 N ATOM 791 CA VAL A 62 -6.154 -1.860 2.798 1.00 0.43 C ATOM 792 C VAL A 62 -5.616 -3.006 1.942 1.00 0.40 C ATOM 793 O VAL A 62 -5.328 -2.779 0.776 1.00 0.41 O ATOM 794 CB VAL A 62 -5.018 -1.225 3.623 1.00 0.39 C ATOM 795 CG1 VAL A 62 -4.095 -0.407 2.723 1.00 0.45 C ATOM 796 CG2 VAL A 62 -5.490 -0.284 4.734 1.00 0.43 C ATOM 0 H VAL A 62 -7.031 -2.234 4.654 1.00 0.43 H new ATOM 0 HA VAL A 62 -6.559 -1.095 2.135 1.00 0.43 H new ATOM 0 HB VAL A 62 -4.511 -2.074 4.082 1.00 0.39 H new ATOM 0 HG11 VAL A 62 -3.299 0.034 3.323 1.00 0.45 H new ATOM 0 HG12 VAL A 62 -3.660 -1.056 1.963 1.00 0.45 H new ATOM 0 HG13 VAL A 62 -4.667 0.386 2.240 1.00 0.45 H new ATOM 0 HG21 VAL A 62 -4.625 0.117 5.263 1.00 0.43 H new ATOM 0 HG22 VAL A 62 -6.061 0.536 4.298 1.00 0.43 H new ATOM 0 HG23 VAL A 62 -6.120 -0.834 5.433 1.00 0.43 H new ATOM 806 N GLN A 63 -5.574 -4.244 2.451 1.00 0.38 N ATOM 807 CA GLN A 63 -5.282 -5.434 1.637 1.00 0.39 C ATOM 808 C GLN A 63 -6.214 -5.537 0.420 1.00 0.45 C ATOM 809 O GLN A 63 -5.721 -5.710 -0.686 1.00 0.46 O ATOM 810 CB GLN A 63 -5.358 -6.675 2.540 1.00 0.36 C ATOM 811 CG GLN A 63 -5.192 -8.001 1.783 1.00 0.53 C ATOM 812 CD GLN A 63 -5.443 -9.217 2.669 1.00 0.67 C ATOM 813 OE1 GLN A 63 -4.550 -10.002 2.963 1.00 1.35 O ATOM 814 NE2 GLN A 63 -6.660 -9.443 3.114 1.00 2.17 N ATOM 0 H GLN A 63 -5.741 -4.450 3.436 1.00 0.38 H new ATOM 0 HA GLN A 63 -4.275 -5.357 1.226 1.00 0.39 H new ATOM 0 HB2 GLN A 63 -4.585 -6.604 3.305 1.00 0.36 H new ATOM 0 HB3 GLN A 63 -6.318 -6.679 3.056 1.00 0.36 H new ATOM 0 HG2 GLN A 63 -5.882 -8.022 0.939 1.00 0.53 H new ATOM 0 HG3 GLN A 63 -4.184 -8.057 1.372 1.00 0.53 H new ATOM 0 HE21 GLN A 63 -7.416 -8.800 2.879 1.00 2.17 H new ATOM 0 HE22 GLN A 63 -6.847 -10.261 3.694 1.00 2.17 H new ATOM 823 N ALA A 64 -7.530 -5.376 0.569 1.00 0.51 N ATOM 824 CA ALA A 64 -8.460 -5.483 -0.557 1.00 0.55 C ATOM 825 C ALA A 64 -8.422 -4.234 -1.461 1.00 0.56 C ATOM 826 O ALA A 64 -8.733 -4.327 -2.652 1.00 0.63 O ATOM 827 CB ALA A 64 -9.860 -5.727 0.013 1.00 0.62 C ATOM 0 H ALA A 64 -7.977 -5.170 1.462 1.00 0.51 H new ATOM 0 HA ALA A 64 -8.167 -6.316 -1.196 1.00 0.55 H new ATOM 0 HB1 ALA A 64 -10.576 -5.811 -0.804 1.00 0.62 H new ATOM 0 HB2 ALA A 64 -9.861 -6.650 0.593 1.00 0.62 H new ATOM 0 HB3 ALA A 64 -10.141 -4.894 0.657 1.00 0.62 H new ATOM 833 N LEU A 65 -8.000 -3.080 -0.927 1.00 0.54 N ATOM 834 CA LEU A 65 -7.721 -1.882 -1.713 1.00 0.57 C ATOM 835 C LEU A 65 -6.475 -2.056 -2.600 1.00 0.55 C ATOM 836 O LEU A 65 -6.520 -1.747 -3.791 1.00 0.67 O ATOM 837 CB LEU A 65 -7.596 -0.670 -0.785 1.00 0.58 C ATOM 838 CG LEU A 65 -8.927 -0.189 -0.174 1.00 0.67 C ATOM 839 CD1 LEU A 65 -8.638 0.947 0.803 1.00 0.63 C ATOM 840 CD2 LEU A 65 -9.907 0.338 -1.228 1.00 0.93 C ATOM 0 H LEU A 65 -7.843 -2.956 0.073 1.00 0.54 H new ATOM 0 HA LEU A 65 -8.557 -1.712 -2.392 1.00 0.57 H new ATOM 0 HB2 LEU A 65 -6.909 -0.918 0.024 1.00 0.58 H new ATOM 0 HB3 LEU A 65 -7.149 0.153 -1.342 1.00 0.58 H new ATOM 0 HG LEU A 65 -9.384 -1.048 0.317 1.00 0.67 H new ATOM 0 HD11 LEU A 65 -9.573 1.296 1.242 1.00 0.63 H new ATOM 0 HD12 LEU A 65 -7.978 0.589 1.593 1.00 0.63 H new ATOM 0 HD13 LEU A 65 -8.157 1.769 0.273 1.00 0.63 H new ATOM 0 HD21 LEU A 65 -10.826 0.663 -0.740 1.00 0.93 H new ATOM 0 HD22 LEU A 65 -9.458 1.181 -1.753 1.00 0.93 H new ATOM 0 HD23 LEU A 65 -10.135 -0.454 -1.941 1.00 0.93 H new ATOM 852 N LEU A 66 -5.397 -2.596 -2.026 1.00 0.45 N ATOM 853 CA LEU A 66 -4.141 -2.971 -2.687 1.00 0.43 C ATOM 854 C LEU A 66 -4.351 -4.086 -3.721 1.00 0.41 C ATOM 855 O LEU A 66 -3.834 -4.005 -4.829 1.00 0.42 O ATOM 856 CB LEU A 66 -3.135 -3.433 -1.612 1.00 0.43 C ATOM 857 CG LEU A 66 -2.568 -2.301 -0.731 1.00 0.42 C ATOM 858 CD1 LEU A 66 -2.052 -2.860 0.597 1.00 0.41 C ATOM 859 CD2 LEU A 66 -1.408 -1.592 -1.434 1.00 0.45 C ATOM 0 H LEU A 66 -5.375 -2.796 -1.026 1.00 0.45 H new ATOM 0 HA LEU A 66 -3.757 -2.102 -3.221 1.00 0.43 H new ATOM 0 HB2 LEU A 66 -3.622 -4.166 -0.969 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -2.306 -3.942 -2.104 1.00 0.43 H new ATOM 0 HG LEU A 66 -3.377 -1.594 -0.550 1.00 0.42 H new ATOM 0 HD11 LEU A 66 -1.656 -2.047 1.205 1.00 0.41 H new ATOM 0 HD12 LEU A 66 -2.870 -3.346 1.129 1.00 0.41 H new ATOM 0 HD13 LEU A 66 -1.262 -3.586 0.404 1.00 0.41 H new ATOM 0 HD21 LEU A 66 -1.025 -0.798 -0.793 1.00 0.45 H new ATOM 0 HD22 LEU A 66 -0.613 -2.309 -1.638 1.00 0.45 H new ATOM 0 HD23 LEU A 66 -1.759 -1.163 -2.373 1.00 0.45 H new ATOM 871 N GLU A 67 -5.152 -5.102 -3.408 1.00 0.42 N ATOM 872 CA GLU A 67 -5.506 -6.203 -4.316 1.00 0.45 C ATOM 873 C GLU A 67 -6.237 -5.733 -5.591 1.00 0.42 C ATOM 874 O GLU A 67 -6.079 -6.334 -6.659 1.00 0.50 O ATOM 875 CB GLU A 67 -6.332 -7.220 -3.507 1.00 0.63 C ATOM 876 CG GLU A 67 -5.414 -8.181 -2.736 1.00 0.44 C ATOM 877 CD GLU A 67 -6.155 -9.420 -2.244 1.00 1.06 C ATOM 878 OE1 GLU A 67 -6.532 -10.289 -3.071 1.00 1.90 O ATOM 879 OE2 GLU A 67 -6.358 -9.577 -1.020 1.00 2.44 O ATOM 0 H GLU A 67 -5.588 -5.189 -2.490 1.00 0.42 H new ATOM 0 HA GLU A 67 -4.595 -6.668 -4.691 1.00 0.45 H new ATOM 0 HB2 GLU A 67 -6.982 -6.693 -2.809 1.00 0.63 H new ATOM 0 HB3 GLU A 67 -6.977 -7.787 -4.178 1.00 0.63 H new ATOM 0 HG2 GLU A 67 -4.588 -8.486 -3.379 1.00 0.44 H new ATOM 0 HG3 GLU A 67 -4.978 -7.659 -1.884 1.00 0.44 H new ATOM 886 N GLY A 68 -6.933 -4.592 -5.517 1.00 0.42 N ATOM 887 CA GLY A 68 -7.514 -3.881 -6.664 1.00 0.51 C ATOM 888 C GLY A 68 -6.493 -3.335 -7.678 1.00 0.50 C ATOM 889 O GLY A 68 -6.865 -2.984 -8.797 1.00 0.72 O ATOM 0 H GLY A 68 -7.113 -4.123 -4.629 1.00 0.42 H new ATOM 0 HA2 GLY A 68 -8.194 -4.556 -7.184 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -8.113 -3.050 -6.291 1.00 0.51 H new ATOM 893 N THR A 69 -5.191 -3.331 -7.359 1.00 0.37 N ATOM 894 CA THR A 69 -4.099 -2.981 -8.302 1.00 0.46 C ATOM 895 C THR A 69 -3.793 -4.102 -9.306 1.00 0.50 C ATOM 896 O THR A 69 -2.927 -3.939 -10.171 1.00 0.64 O ATOM 897 CB THR A 69 -2.815 -2.537 -7.573 1.00 0.56 C ATOM 898 OG1 THR A 69 -2.250 -3.585 -6.829 1.00 0.77 O ATOM 899 CG2 THR A 69 -3.094 -1.347 -6.669 1.00 0.74 C ATOM 0 H THR A 69 -4.853 -3.573 -6.427 1.00 0.37 H new ATOM 0 HA THR A 69 -4.471 -2.130 -8.872 1.00 0.46 H new ATOM 0 HB THR A 69 -2.096 -2.242 -8.337 1.00 0.56 H new ATOM 0 HG1 THR A 69 -2.818 -3.780 -6.055 1.00 0.77 H new ATOM 0 HG21 THR A 69 -2.175 -1.050 -6.164 1.00 0.74 H new ATOM 0 HG22 THR A 69 -3.465 -0.515 -7.267 1.00 0.74 H new ATOM 0 HG23 THR A 69 -3.843 -1.622 -5.926 1.00 0.74 H new ATOM 907 N GLY A 70 -4.506 -5.231 -9.218 1.00 0.44 N ATOM 908 CA GLY A 70 -4.364 -6.388 -10.107 1.00 0.52 C ATOM 909 C GLY A 70 -3.351 -7.425 -9.613 1.00 0.50 C ATOM 910 O GLY A 70 -2.797 -8.160 -10.427 1.00 0.66 O ATOM 0 H GLY A 70 -5.220 -5.368 -8.503 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -5.336 -6.868 -10.221 1.00 0.52 H new ATOM 0 HA3 GLY A 70 -4.062 -6.041 -11.095 1.00 0.52 H new ATOM 914 N ARG A 71 -3.020 -7.423 -8.311 1.00 0.44 N ATOM 915 CA ARG A 71 -1.822 -8.054 -7.745 1.00 0.44 C ATOM 916 C ARG A 71 -2.093 -8.811 -6.442 1.00 0.52 C ATOM 917 O ARG A 71 -3.133 -8.652 -5.796 1.00 0.82 O ATOM 918 CB ARG A 71 -0.771 -6.955 -7.490 1.00 0.80 C ATOM 919 CG ARG A 71 -0.383 -6.187 -8.762 1.00 1.02 C ATOM 920 CD ARG A 71 0.451 -4.961 -8.407 1.00 0.63 C ATOM 921 NE ARG A 71 0.648 -4.108 -9.588 1.00 0.78 N ATOM 922 CZ ARG A 71 1.512 -4.253 -10.569 1.00 1.10 C ATOM 923 NH1 ARG A 71 2.405 -5.202 -10.591 1.00 2.51 N ATOM 924 NH2 ARG A 71 1.484 -3.388 -11.534 1.00 1.23 N ATOM 0 H ARG A 71 -3.598 -6.968 -7.604 1.00 0.44 H new ATOM 0 HA ARG A 71 -1.467 -8.793 -8.464 1.00 0.44 H new ATOM 0 HB2 ARG A 71 -1.160 -6.253 -6.753 1.00 0.80 H new ATOM 0 HB3 ARG A 71 0.122 -7.407 -7.059 1.00 0.80 H new ATOM 0 HG2 ARG A 71 0.181 -6.838 -9.430 1.00 1.02 H new ATOM 0 HG3 ARG A 71 -1.281 -5.881 -9.298 1.00 1.02 H new ATOM 0 HD2 ARG A 71 -0.045 -4.393 -7.620 1.00 0.63 H new ATOM 0 HD3 ARG A 71 1.418 -5.274 -8.013 1.00 0.63 H new ATOM 0 HE ARG A 71 0.034 -3.297 -9.656 1.00 0.78 H new ATOM 0 HH11 ARG A 71 2.455 -5.873 -9.825 1.00 2.51 H new ATOM 0 HH12 ARG A 71 3.054 -5.273 -11.375 1.00 2.51 H new ATOM 0 HH21 ARG A 71 0.806 -2.626 -11.516 1.00 1.23 H new ATOM 0 HH22 ARG A 71 2.140 -3.470 -12.311 1.00 1.23 H new ATOM 938 N GLN A 72 -1.091 -9.584 -6.044 1.00 0.40 N ATOM 939 CA GLN A 72 -0.866 -10.093 -4.695 1.00 0.51 C ATOM 940 C GLN A 72 -0.558 -8.939 -3.725 1.00 0.36 C ATOM 941 O GLN A 72 0.121 -7.972 -4.075 1.00 0.42 O ATOM 942 CB GLN A 72 0.254 -11.153 -4.768 1.00 0.76 C ATOM 943 CG GLN A 72 0.805 -11.699 -3.435 1.00 1.99 C ATOM 944 CD GLN A 72 1.847 -10.812 -2.752 1.00 3.83 C ATOM 945 OE1 GLN A 72 2.444 -9.916 -3.330 1.00 5.22 O ATOM 946 NE2 GLN A 72 2.152 -11.047 -1.498 1.00 4.57 N ATOM 0 H GLN A 72 -0.368 -9.892 -6.694 1.00 0.40 H new ATOM 0 HA GLN A 72 -1.762 -10.572 -4.299 1.00 0.51 H new ATOM 0 HB2 GLN A 72 -0.119 -11.997 -5.349 1.00 0.76 H new ATOM 0 HB3 GLN A 72 1.087 -10.725 -5.326 1.00 0.76 H new ATOM 0 HG2 GLN A 72 -0.029 -11.848 -2.749 1.00 1.99 H new ATOM 0 HG3 GLN A 72 1.247 -12.679 -3.616 1.00 1.99 H new ATOM 0 HE21 GLN A 72 1.672 -11.788 -0.987 1.00 4.57 H new ATOM 0 HE22 GLN A 72 2.869 -10.489 -1.034 1.00 4.57 H new ATOM 955 N ALA A 73 -1.068 -9.078 -2.503 1.00 0.43 N ATOM 956 CA ALA A 73 -0.851 -8.177 -1.364 1.00 0.41 C ATOM 957 C ALA A 73 -0.975 -8.940 -0.033 1.00 0.47 C ATOM 958 O ALA A 73 -2.038 -9.477 0.292 1.00 0.58 O ATOM 959 CB ALA A 73 -1.863 -7.024 -1.430 1.00 0.51 C ATOM 0 H ALA A 73 -1.676 -9.862 -2.264 1.00 0.43 H new ATOM 0 HA ALA A 73 0.158 -7.769 -1.416 1.00 0.41 H new ATOM 0 HB1 ALA A 73 -1.705 -6.353 -0.586 1.00 0.51 H new ATOM 0 HB2 ALA A 73 -1.728 -6.474 -2.361 1.00 0.51 H new ATOM 0 HB3 ALA A 73 -2.875 -7.426 -1.390 1.00 0.51 H new ATOM 965 N VAL A 74 0.107 -8.945 0.747 1.00 0.45 N ATOM 966 CA VAL A 74 0.212 -9.554 2.083 1.00 0.54 C ATOM 967 C VAL A 74 0.856 -8.555 3.029 1.00 0.49 C ATOM 968 O VAL A 74 1.895 -7.979 2.723 1.00 0.49 O ATOM 969 CB VAL A 74 1.060 -10.840 2.038 1.00 0.69 C ATOM 970 CG1 VAL A 74 1.486 -11.360 3.418 1.00 0.74 C ATOM 971 CG2 VAL A 74 0.283 -11.957 1.341 1.00 0.89 C ATOM 0 H VAL A 74 0.979 -8.504 0.454 1.00 0.45 H new ATOM 0 HA VAL A 74 -0.787 -9.816 2.431 1.00 0.54 H new ATOM 0 HB VAL A 74 1.963 -10.568 1.492 1.00 0.69 H new ATOM 0 HG11 VAL A 74 2.079 -12.267 3.298 1.00 0.74 H new ATOM 0 HG12 VAL A 74 2.082 -10.601 3.925 1.00 0.74 H new ATOM 0 HG13 VAL A 74 0.600 -11.582 4.013 1.00 0.74 H new ATOM 0 HG21 VAL A 74 0.891 -12.861 1.314 1.00 0.89 H new ATOM 0 HG22 VAL A 74 -0.639 -12.155 1.888 1.00 0.89 H new ATOM 0 HG23 VAL A 74 0.042 -11.652 0.323 1.00 0.89 H new ATOM 981 N LEU A 75 0.271 -8.339 4.199 1.00 0.49 N ATOM 982 CA LEU A 75 0.879 -7.501 5.221 1.00 0.41 C ATOM 983 C LEU A 75 1.999 -8.218 5.971 1.00 0.43 C ATOM 984 O LEU A 75 1.892 -9.393 6.330 1.00 0.54 O ATOM 985 CB LEU A 75 -0.202 -6.989 6.147 1.00 0.46 C ATOM 986 CG LEU A 75 0.275 -5.891 7.122 1.00 0.45 C ATOM 987 CD1 LEU A 75 1.173 -4.806 6.541 1.00 1.17 C ATOM 988 CD2 LEU A 75 -0.945 -5.089 7.422 1.00 0.89 C ATOM 0 H LEU A 75 -0.630 -8.736 4.464 1.00 0.49 H new ATOM 0 HA LEU A 75 1.359 -6.650 4.738 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -1.024 -6.597 5.548 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -0.599 -7.825 6.723 1.00 0.46 H new ATOM 0 HG LEU A 75 0.802 -6.419 7.917 1.00 0.45 H new ATOM 0 HD11 LEU A 75 1.439 -4.096 7.324 1.00 1.17 H new ATOM 0 HD12 LEU A 75 2.079 -5.260 6.139 1.00 1.17 H new ATOM 0 HD13 LEU A 75 0.644 -4.285 5.743 1.00 1.17 H new ATOM 0 HD21 LEU A 75 -0.691 -4.284 8.112 1.00 0.89 H new ATOM 0 HD22 LEU A 75 -1.338 -4.665 6.498 1.00 0.89 H new ATOM 0 HD23 LEU A 75 -1.700 -5.731 7.876 1.00 0.89 H new ATOM 1000 N LYS A 76 3.055 -7.455 6.245 1.00 0.36 N ATOM 1001 CA LYS A 76 4.224 -7.902 7.017 1.00 0.40 C ATOM 1002 C LYS A 76 4.169 -7.436 8.475 1.00 0.47 C ATOM 1003 O LYS A 76 4.455 -8.203 9.399 1.00 0.67 O ATOM 1004 CB LYS A 76 5.512 -7.477 6.295 1.00 0.41 C ATOM 1005 CG LYS A 76 5.647 -8.026 4.860 1.00 0.41 C ATOM 1006 CD LYS A 76 5.676 -9.558 4.724 1.00 0.48 C ATOM 1007 CE LYS A 76 6.871 -10.187 5.449 1.00 1.27 C ATOM 1008 NZ LYS A 76 6.925 -11.645 5.206 1.00 1.56 N ATOM 0 H LYS A 76 3.128 -6.487 5.932 1.00 0.36 H new ATOM 0 HA LYS A 76 4.215 -8.991 7.070 1.00 0.40 H new ATOM 0 HB2 LYS A 76 5.552 -6.388 6.260 1.00 0.41 H new ATOM 0 HB3 LYS A 76 6.369 -7.809 6.881 1.00 0.41 H new ATOM 0 HG2 LYS A 76 4.816 -7.644 4.267 1.00 0.41 H new ATOM 0 HG3 LYS A 76 6.562 -7.625 4.423 1.00 0.41 H new ATOM 0 HD2 LYS A 76 4.752 -9.973 5.125 1.00 0.48 H new ATOM 0 HD3 LYS A 76 5.713 -9.826 3.668 1.00 0.48 H new ATOM 0 HE2 LYS A 76 7.796 -9.722 5.106 1.00 1.27 H new ATOM 0 HE3 LYS A 76 6.795 -9.995 6.519 1.00 1.27 H new ATOM 0 HZ1 LYS A 76 7.742 -12.050 5.706 1.00 1.56 H new ATOM 0 HZ2 LYS A 76 6.051 -12.088 5.555 1.00 1.56 H new ATOM 0 HZ3 LYS A 76 7.020 -11.824 4.186 1.00 1.56 H new ATOM 1022 N GLY A 77 3.723 -6.204 8.690 1.00 0.34 N ATOM 1023 CA GLY A 77 3.391 -5.629 9.987 1.00 0.32 C ATOM 1024 C GLY A 77 3.243 -4.113 9.896 1.00 0.34 C ATOM 1025 O GLY A 77 3.149 -3.538 8.809 1.00 0.42 O ATOM 0 H GLY A 77 3.576 -5.546 7.925 1.00 0.34 H new ATOM 0 HA2 GLY A 77 2.463 -6.066 10.355 1.00 0.32 H new ATOM 0 HA3 GLY A 77 4.169 -5.879 10.708 1.00 0.32 H new ATOM 1029 N MET A 78 3.252 -3.461 11.051 1.00 0.49 N ATOM 1030 CA MET A 78 3.332 -2.020 11.182 1.00 0.64 C ATOM 1031 C MET A 78 4.801 -1.603 11.296 1.00 0.83 C ATOM 1032 O MET A 78 5.634 -2.340 11.843 1.00 1.16 O ATOM 1033 CB MET A 78 2.473 -1.555 12.361 1.00 0.86 C ATOM 1034 CG MET A 78 0.980 -1.741 12.052 1.00 0.99 C ATOM 1035 SD MET A 78 0.333 -3.422 12.267 1.00 1.20 S ATOM 1036 CE MET A 78 -1.329 -3.183 11.606 1.00 1.45 C ATOM 0 H MET A 78 3.202 -3.941 11.950 1.00 0.49 H new ATOM 0 HA MET A 78 2.929 -1.529 10.296 1.00 0.64 H new ATOM 0 HB2 MET A 78 2.737 -2.120 13.255 1.00 0.86 H new ATOM 0 HB3 MET A 78 2.677 -0.506 12.575 1.00 0.86 H new ATOM 0 HG2 MET A 78 0.409 -1.068 12.692 1.00 0.99 H new ATOM 0 HG3 MET A 78 0.800 -1.432 11.022 1.00 0.99 H new ATOM 0 HE1 MET A 78 -1.880 -4.122 11.658 1.00 1.45 H new ATOM 0 HE2 MET A 78 -1.848 -2.425 12.192 1.00 1.45 H new ATOM 0 HE3 MET A 78 -1.264 -2.857 10.568 1.00 1.45 H new ATOM 1046 N GLY A 79 5.140 -0.456 10.716 1.00 0.92 N ATOM 1047 CA GLY A 79 6.529 -0.156 10.358 1.00 1.45 C ATOM 1048 C GLY A 79 6.884 1.319 10.161 1.00 2.21 C ATOM 1049 O GLY A 79 6.198 2.213 10.658 1.00 2.94 O ATOM 0 H GLY A 79 4.476 0.282 10.483 1.00 0.92 H new ATOM 0 HA2 GLY A 79 7.176 -0.561 11.136 1.00 1.45 H new ATOM 0 HA3 GLY A 79 6.766 -0.689 9.437 1.00 1.45 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.840 -2.636 -14.565 1.00 0.91 CU