USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 914 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 95 MET CE :methyl -112:sc= -0.0414 (180deg=-0.347) USER MOD Set 1.2: A 99 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.2: A 41 SER OG : rot 74:sc= 1.04 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0304 (180deg=-0.392) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.18) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.29) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= -1.42 (180deg=-1.99) USER MOD Single : A 52 SER OG : rot 170:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.546 K(o=-0.55,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 74:sc= 0.984 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 142:sc= -1.05 (180deg=-4.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 71:sc= 1.03 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 87 CYS SG : rot -9:sc= -1.78 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 149:sc= -0.147 (180deg=-0.987) USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00141 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.153 USER MOD Single : A 112 GLN : amide:sc= -1.73! C(o=-1.7!,f=-1.7!) USER MOD Single : A 117 LYS NZ :NH3+ -140:sc= 0.00738 (180deg=0) USER MOD Single : A 118 SER OG : rot 8:sc= 0.0782 USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 9.537 5.256 -6.030 1.00 0.67 N ATOM 129 CA PRO A 8 9.243 4.521 -7.276 1.00 0.58 C ATOM 130 C PRO A 8 7.813 4.828 -7.748 1.00 0.52 C ATOM 131 O PRO A 8 7.059 5.509 -7.082 1.00 0.58 O ATOM 132 CB PRO A 8 9.404 3.027 -6.909 1.00 0.62 C ATOM 133 CG PRO A 8 9.777 2.953 -5.401 1.00 0.71 C ATOM 134 CD PRO A 8 9.946 4.400 -4.892 1.00 0.75 C ATOM 0 HA PRO A 8 9.906 4.804 -8.094 1.00 0.58 H new ATOM 0 HB2 PRO A 8 8.479 2.483 -7.102 1.00 0.62 H new ATOM 0 HB3 PRO A 8 10.180 2.564 -7.519 1.00 0.62 H new ATOM 0 HG2 PRO A 8 8.999 2.437 -4.839 1.00 0.71 H new ATOM 0 HG3 PRO A 8 10.698 2.388 -5.261 1.00 0.71 H new ATOM 0 HD2 PRO A 8 9.325 4.585 -4.015 1.00 0.75 H new ATOM 0 HD3 PRO A 8 10.977 4.598 -4.600 1.00 0.75 H new ATOM 142 N THR A 9 7.440 4.311 -8.888 1.00 0.48 N ATOM 143 CA THR A 9 6.060 4.546 -9.414 1.00 0.46 C ATOM 144 C THR A 9 5.174 3.369 -8.998 1.00 0.43 C ATOM 145 O THR A 9 5.658 2.301 -8.681 1.00 0.44 O ATOM 146 CB THR A 9 6.112 4.641 -10.954 1.00 0.47 C ATOM 147 OG1 THR A 9 7.246 3.929 -11.427 1.00 0.72 O ATOM 148 CG2 THR A 9 6.216 6.104 -11.391 1.00 0.73 C ATOM 0 H THR A 9 8.034 3.732 -9.482 1.00 0.48 H new ATOM 0 HA THR A 9 5.654 5.475 -9.012 1.00 0.46 H new ATOM 0 HB THR A 9 5.200 4.211 -11.369 1.00 0.47 H new ATOM 0 HG1 THR A 9 7.283 3.985 -12.405 1.00 0.72 H new ATOM 0 HG21 THR A 9 6.252 6.157 -12.479 1.00 0.73 H new ATOM 0 HG22 THR A 9 5.347 6.654 -11.029 1.00 0.73 H new ATOM 0 HG23 THR A 9 7.123 6.544 -10.976 1.00 0.73 H new ATOM 156 N LEU A 10 3.882 3.546 -9.010 1.00 0.41 N ATOM 157 CA LEU A 10 2.994 2.418 -8.626 1.00 0.40 C ATOM 158 C LEU A 10 3.126 1.325 -9.678 1.00 0.39 C ATOM 159 O LEU A 10 3.002 0.151 -9.389 1.00 0.39 O ATOM 160 CB LEU A 10 1.536 2.885 -8.549 1.00 0.41 C ATOM 161 CG LEU A 10 0.603 1.675 -8.365 1.00 0.37 C ATOM 162 CD1 LEU A 10 1.022 0.867 -7.129 1.00 0.41 C ATOM 163 CD2 LEU A 10 -0.831 2.166 -8.182 1.00 0.41 C ATOM 0 H LEU A 10 3.409 4.413 -9.266 1.00 0.41 H new ATOM 0 HA LEU A 10 3.285 2.041 -7.646 1.00 0.40 H new ATOM 0 HB2 LEU A 10 1.412 3.580 -7.718 1.00 0.41 H new ATOM 0 HB3 LEU A 10 1.270 3.424 -9.458 1.00 0.41 H new ATOM 0 HG LEU A 10 0.669 1.038 -9.247 1.00 0.37 H new ATOM 0 HD11 LEU A 10 0.355 0.013 -7.009 1.00 0.41 H new ATOM 0 HD12 LEU A 10 2.045 0.513 -7.255 1.00 0.41 H new ATOM 0 HD13 LEU A 10 0.964 1.500 -6.244 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -1.494 1.311 -8.051 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -0.887 2.806 -7.302 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -1.137 2.732 -9.062 1.00 0.41 H new ATOM 175 N LYS A 11 3.394 1.684 -10.900 1.00 0.42 N ATOM 176 CA LYS A 11 3.545 0.650 -11.951 1.00 0.44 C ATOM 177 C LYS A 11 4.723 -0.244 -11.587 1.00 0.43 C ATOM 178 O LYS A 11 4.752 -1.415 -11.910 1.00 0.45 O ATOM 179 CB LYS A 11 3.817 1.337 -13.292 1.00 0.49 C ATOM 180 CG LYS A 11 3.762 0.311 -14.423 1.00 0.83 C ATOM 181 CD LYS A 11 4.173 0.984 -15.734 1.00 0.98 C ATOM 182 CE LYS A 11 3.937 0.024 -16.900 1.00 1.64 C ATOM 183 NZ LYS A 11 2.472 -0.133 -17.122 1.00 2.31 N ATOM 0 H LYS A 11 3.514 2.647 -11.214 1.00 0.42 H new ATOM 0 HA LYS A 11 2.637 0.052 -12.028 1.00 0.44 H new ATOM 0 HB2 LYS A 11 3.080 2.121 -13.465 1.00 0.49 H new ATOM 0 HB3 LYS A 11 4.795 1.817 -13.272 1.00 0.49 H new ATOM 0 HG2 LYS A 11 4.428 -0.524 -14.205 1.00 0.83 H new ATOM 0 HG3 LYS A 11 2.755 -0.098 -14.510 1.00 0.83 H new ATOM 0 HD2 LYS A 11 3.598 1.898 -15.881 1.00 0.98 H new ATOM 0 HD3 LYS A 11 5.224 1.271 -15.693 1.00 0.98 H new ATOM 0 HE2 LYS A 11 4.414 0.406 -17.803 1.00 1.64 H new ATOM 0 HE3 LYS A 11 4.390 -0.944 -16.686 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 2.302 -0.474 -18.090 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 2.089 -0.819 -16.441 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 2.001 0.785 -16.991 1.00 2.31 H new ATOM 197 N ASP A 12 5.706 0.303 -10.924 1.00 0.43 N ATOM 198 CA ASP A 12 6.886 -0.520 -10.554 1.00 0.45 C ATOM 199 C ASP A 12 6.414 -1.751 -9.779 1.00 0.44 C ATOM 200 O ASP A 12 7.068 -2.774 -9.757 1.00 0.46 O ATOM 201 CB ASP A 12 7.834 0.304 -9.681 1.00 0.48 C ATOM 202 CG ASP A 12 9.098 -0.509 -9.399 1.00 1.16 C ATOM 203 OD1 ASP A 12 9.407 -1.380 -10.196 1.00 1.88 O ATOM 204 OD2 ASP A 12 9.734 -0.249 -8.391 1.00 1.94 O ATOM 0 H ASP A 12 5.741 1.278 -10.626 1.00 0.43 H new ATOM 0 HA ASP A 12 7.412 -0.833 -11.456 1.00 0.45 H new ATOM 0 HB2 ASP A 12 8.092 1.236 -10.184 1.00 0.48 H new ATOM 0 HB3 ASP A 12 7.344 0.572 -8.745 1.00 0.48 H new ATOM 209 N ALA A 13 5.278 -1.652 -9.131 1.00 0.43 N ATOM 210 CA ALA A 13 4.763 -2.809 -8.345 1.00 0.45 C ATOM 211 C ALA A 13 4.548 -4.008 -9.271 1.00 0.49 C ATOM 212 O ALA A 13 4.617 -5.146 -8.853 1.00 0.57 O ATOM 213 CB ALA A 13 3.433 -2.426 -7.691 1.00 0.44 C ATOM 0 H ALA A 13 4.688 -0.820 -9.115 1.00 0.43 H new ATOM 0 HA ALA A 13 5.488 -3.074 -7.575 1.00 0.45 H new ATOM 0 HB1 ALA A 13 3.054 -3.271 -7.115 1.00 0.44 H new ATOM 0 HB2 ALA A 13 3.585 -1.574 -7.028 1.00 0.44 H new ATOM 0 HB3 ALA A 13 2.711 -2.160 -8.463 1.00 0.44 H new ATOM 219 N TYR A 14 4.284 -3.762 -10.526 1.00 0.54 N ATOM 220 CA TYR A 14 4.060 -4.888 -11.479 1.00 0.60 C ATOM 221 C TYR A 14 5.406 -5.413 -11.987 1.00 0.67 C ATOM 222 O TYR A 14 5.472 -6.093 -12.991 1.00 1.15 O ATOM 223 CB TYR A 14 3.229 -4.392 -12.664 1.00 0.61 C ATOM 224 CG TYR A 14 1.819 -4.093 -12.205 1.00 0.58 C ATOM 225 CD1 TYR A 14 1.551 -2.922 -11.485 1.00 1.32 C ATOM 226 CD2 TYR A 14 0.780 -4.985 -12.501 1.00 1.37 C ATOM 227 CE1 TYR A 14 0.246 -2.643 -11.061 1.00 1.33 C ATOM 228 CE2 TYR A 14 -0.525 -4.706 -12.077 1.00 1.41 C ATOM 229 CZ TYR A 14 -0.792 -3.535 -11.357 1.00 0.70 C ATOM 230 OH TYR A 14 -2.078 -3.259 -10.941 1.00 0.82 O ATOM 0 H TYR A 14 4.214 -2.829 -10.933 1.00 0.54 H new ATOM 0 HA TYR A 14 3.529 -5.692 -10.968 1.00 0.60 H new ATOM 0 HB2 TYR A 14 3.682 -3.496 -13.089 1.00 0.61 H new ATOM 0 HB3 TYR A 14 3.214 -5.146 -13.451 1.00 0.61 H new ATOM 0 HD1 TYR A 14 2.351 -2.234 -11.257 1.00 1.32 H new ATOM 0 HD2 TYR A 14 0.986 -5.888 -13.056 1.00 1.37 H new ATOM 0 HE1 TYR A 14 0.040 -1.740 -10.506 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -1.326 -5.394 -12.305 1.00 1.41 H new ATOM 0 HH TYR A 14 -2.677 -3.979 -11.230 1.00 0.82 H new ATOM 240 N GLU A 15 6.479 -5.098 -11.300 1.00 0.57 N ATOM 241 CA GLU A 15 7.838 -5.571 -11.729 1.00 0.60 C ATOM 242 C GLU A 15 8.348 -6.613 -10.708 1.00 0.53 C ATOM 243 O GLU A 15 8.822 -6.232 -9.656 1.00 0.57 O ATOM 244 CB GLU A 15 8.795 -4.368 -11.747 1.00 0.68 C ATOM 245 CG GLU A 15 10.004 -4.674 -12.639 1.00 0.89 C ATOM 246 CD GLU A 15 10.764 -5.881 -12.083 1.00 1.59 C ATOM 247 OE1 GLU A 15 11.354 -5.748 -11.024 1.00 2.12 O ATOM 248 OE2 GLU A 15 10.742 -6.917 -12.726 1.00 2.32 O ATOM 0 H GLU A 15 6.473 -4.529 -10.453 1.00 0.57 H new ATOM 0 HA GLU A 15 7.788 -6.020 -12.721 1.00 0.60 H new ATOM 0 HB2 GLU A 15 8.275 -3.484 -12.116 1.00 0.68 H new ATOM 0 HB3 GLU A 15 9.128 -4.142 -10.734 1.00 0.68 H new ATOM 0 HG2 GLU A 15 9.674 -4.878 -13.658 1.00 0.89 H new ATOM 0 HG3 GLU A 15 10.663 -3.807 -12.685 1.00 0.89 H new ATOM 255 N PRO A 16 8.229 -7.894 -11.008 1.00 0.51 N ATOM 256 CA PRO A 16 8.674 -8.935 -10.065 1.00 0.48 C ATOM 257 C PRO A 16 10.182 -8.835 -9.762 1.00 0.51 C ATOM 258 O PRO A 16 10.913 -8.049 -10.331 1.00 0.76 O ATOM 259 CB PRO A 16 8.326 -10.278 -10.750 1.00 0.53 C ATOM 260 CG PRO A 16 7.613 -9.947 -12.090 1.00 0.64 C ATOM 261 CD PRO A 16 7.650 -8.415 -12.270 1.00 0.60 C ATOM 0 HA PRO A 16 8.182 -8.830 -9.098 1.00 0.48 H new ATOM 0 HB2 PRO A 16 9.229 -10.862 -10.930 1.00 0.53 H new ATOM 0 HB3 PRO A 16 7.680 -10.879 -10.110 1.00 0.53 H new ATOM 0 HG2 PRO A 16 8.112 -10.443 -12.922 1.00 0.64 H new ATOM 0 HG3 PRO A 16 6.584 -10.306 -12.076 1.00 0.64 H new ATOM 0 HD2 PRO A 16 8.259 -8.133 -13.129 1.00 0.60 H new ATOM 0 HD3 PRO A 16 6.651 -8.014 -12.441 1.00 0.60 H new ATOM 269 N LEU A 17 10.609 -9.647 -8.842 1.00 0.63 N ATOM 270 CA LEU A 17 12.028 -9.701 -8.386 1.00 0.74 C ATOM 271 C LEU A 17 12.523 -11.147 -8.440 1.00 0.79 C ATOM 272 O LEU A 17 11.748 -12.082 -8.448 1.00 1.03 O ATOM 273 CB LEU A 17 12.082 -9.225 -6.928 1.00 0.79 C ATOM 274 CG LEU A 17 11.783 -7.716 -6.850 1.00 1.26 C ATOM 275 CD1 LEU A 17 11.806 -7.279 -5.383 1.00 1.12 C ATOM 276 CD2 LEU A 17 12.835 -6.908 -7.642 1.00 2.28 C ATOM 0 H LEU A 17 10.001 -10.311 -8.362 1.00 0.63 H new ATOM 0 HA LEU A 17 12.649 -9.073 -9.024 1.00 0.74 H new ATOM 0 HB2 LEU A 17 11.358 -9.778 -6.330 1.00 0.79 H new ATOM 0 HB3 LEU A 17 13.066 -9.430 -6.507 1.00 0.79 H new ATOM 0 HG LEU A 17 10.802 -7.527 -7.285 1.00 1.26 H new ATOM 0 HD11 LEU A 17 11.595 -6.212 -5.318 1.00 1.12 H new ATOM 0 HD12 LEU A 17 11.050 -7.833 -4.827 1.00 1.12 H new ATOM 0 HD13 LEU A 17 12.789 -7.481 -4.959 1.00 1.12 H new ATOM 0 HD21 LEU A 17 12.604 -5.845 -7.573 1.00 2.28 H new ATOM 0 HD22 LEU A 17 13.825 -7.092 -7.225 1.00 2.28 H new ATOM 0 HD23 LEU A 17 12.819 -7.216 -8.687 1.00 2.28 H new ATOM 288 N TYR A 18 13.819 -11.332 -8.480 1.00 0.78 N ATOM 289 CA TYR A 18 14.389 -12.713 -8.536 1.00 0.88 C ATOM 290 C TYR A 18 14.574 -13.226 -7.091 1.00 0.76 C ATOM 291 O TYR A 18 14.717 -12.426 -6.188 1.00 0.63 O ATOM 292 CB TYR A 18 15.755 -12.664 -9.259 1.00 1.09 C ATOM 293 CG TYR A 18 15.779 -11.505 -10.234 1.00 0.78 C ATOM 294 CD1 TYR A 18 14.669 -11.252 -11.049 1.00 1.41 C ATOM 295 CD2 TYR A 18 16.913 -10.686 -10.323 1.00 1.46 C ATOM 296 CE1 TYR A 18 14.693 -10.182 -11.952 1.00 1.67 C ATOM 297 CE2 TYR A 18 16.936 -9.617 -11.225 1.00 1.64 C ATOM 298 CZ TYR A 18 15.826 -9.364 -12.041 1.00 1.40 C ATOM 299 OH TYR A 18 15.849 -8.311 -12.932 1.00 1.95 O ATOM 0 H TYR A 18 14.510 -10.582 -8.476 1.00 0.78 H new ATOM 0 HA TYR A 18 13.721 -13.382 -9.079 1.00 0.88 H new ATOM 0 HB2 TYR A 18 16.558 -12.555 -8.531 1.00 1.09 H new ATOM 0 HB3 TYR A 18 15.930 -13.600 -9.789 1.00 1.09 H new ATOM 0 HD1 TYR A 18 13.794 -11.882 -10.981 1.00 1.41 H new ATOM 0 HD2 TYR A 18 17.770 -10.880 -9.695 1.00 1.46 H new ATOM 0 HE1 TYR A 18 13.837 -9.987 -12.581 1.00 1.67 H new ATOM 0 HE2 TYR A 18 17.810 -8.986 -11.292 1.00 1.64 H new ATOM 0 HH TYR A 18 16.708 -7.845 -12.865 1.00 1.95 H new ATOM 309 N PRO A 19 14.578 -14.532 -6.891 1.00 0.88 N ATOM 310 CA PRO A 19 14.758 -15.091 -5.537 1.00 0.87 C ATOM 311 C PRO A 19 16.104 -14.634 -4.949 1.00 0.80 C ATOM 312 O PRO A 19 16.289 -14.615 -3.748 1.00 0.77 O ATOM 313 CB PRO A 19 14.725 -16.626 -5.726 1.00 1.11 C ATOM 314 CG PRO A 19 14.557 -16.906 -7.247 1.00 1.24 C ATOM 315 CD PRO A 19 14.404 -15.544 -7.959 1.00 1.09 C ATOM 0 HA PRO A 19 13.986 -14.757 -4.844 1.00 0.87 H new ATOM 0 HB2 PRO A 19 15.644 -17.078 -5.352 1.00 1.11 H new ATOM 0 HB3 PRO A 19 13.901 -17.064 -5.162 1.00 1.11 H new ATOM 0 HG2 PRO A 19 15.421 -17.446 -7.635 1.00 1.24 H new ATOM 0 HG3 PRO A 19 13.683 -17.532 -7.427 1.00 1.24 H new ATOM 0 HD2 PRO A 19 15.151 -15.423 -8.743 1.00 1.09 H new ATOM 0 HD3 PRO A 19 13.427 -15.454 -8.433 1.00 1.09 H new ATOM 323 N GLN A 20 17.046 -14.283 -5.783 1.00 0.80 N ATOM 324 CA GLN A 20 18.370 -13.852 -5.263 1.00 0.77 C ATOM 325 C GLN A 20 18.270 -12.436 -4.688 1.00 0.68 C ATOM 326 O GLN A 20 18.699 -12.177 -3.581 1.00 0.67 O ATOM 327 CB GLN A 20 19.392 -13.874 -6.401 1.00 0.85 C ATOM 328 CG GLN A 20 20.739 -13.379 -5.881 1.00 1.41 C ATOM 329 CD GLN A 20 21.832 -13.685 -6.907 1.00 1.86 C ATOM 330 OE1 GLN A 20 22.501 -14.696 -6.817 1.00 2.60 O ATOM 331 NE2 GLN A 20 22.042 -12.848 -7.886 1.00 2.30 N ATOM 0 H GLN A 20 16.954 -14.277 -6.799 1.00 0.80 H new ATOM 0 HA GLN A 20 18.687 -14.534 -4.473 1.00 0.77 H new ATOM 0 HB2 GLN A 20 19.491 -14.885 -6.796 1.00 0.85 H new ATOM 0 HB3 GLN A 20 19.052 -13.243 -7.222 1.00 0.85 H new ATOM 0 HG2 GLN A 20 20.695 -12.307 -5.692 1.00 1.41 H new ATOM 0 HG3 GLN A 20 20.973 -13.861 -4.932 1.00 1.41 H new ATOM 0 HE21 GLN A 20 21.480 -12.000 -7.961 1.00 2.30 H new ATOM 0 HE22 GLN A 20 22.768 -13.042 -8.576 1.00 2.30 H new ATOM 340 N GLN A 21 17.714 -11.516 -5.427 1.00 0.64 N ATOM 341 CA GLN A 21 17.599 -10.121 -4.914 1.00 0.59 C ATOM 342 C GLN A 21 16.807 -10.116 -3.605 1.00 0.50 C ATOM 343 O GLN A 21 17.164 -9.448 -2.654 1.00 0.47 O ATOM 344 CB GLN A 21 16.878 -9.255 -5.948 1.00 0.64 C ATOM 345 CG GLN A 21 17.757 -9.107 -7.190 1.00 1.02 C ATOM 346 CD GLN A 21 18.954 -8.210 -6.865 1.00 1.57 C ATOM 347 OE1 GLN A 21 20.088 -8.590 -7.078 1.00 2.34 O ATOM 348 NE2 GLN A 21 18.747 -7.028 -6.355 1.00 1.94 N ATOM 0 H GLN A 21 17.335 -11.669 -6.362 1.00 0.64 H new ATOM 0 HA GLN A 21 18.597 -9.720 -4.734 1.00 0.59 H new ATOM 0 HB2 GLN A 21 15.924 -9.709 -6.216 1.00 0.64 H new ATOM 0 HB3 GLN A 21 16.657 -8.274 -5.527 1.00 0.64 H new ATOM 0 HG2 GLN A 21 18.102 -10.086 -7.523 1.00 1.02 H new ATOM 0 HG3 GLN A 21 17.179 -8.678 -8.008 1.00 1.02 H new ATOM 0 HE21 GLN A 21 17.795 -6.709 -6.176 1.00 1.94 H new ATOM 0 HE22 GLN A 21 19.537 -6.422 -6.135 1.00 1.94 H new ATOM 357 N LEU A 22 15.733 -10.852 -3.550 1.00 0.52 N ATOM 358 CA LEU A 22 14.917 -10.887 -2.307 1.00 0.46 C ATOM 359 C LEU A 22 15.747 -11.472 -1.164 1.00 0.42 C ATOM 360 O LEU A 22 15.542 -11.152 -0.008 1.00 0.40 O ATOM 361 CB LEU A 22 13.684 -11.763 -2.551 1.00 0.52 C ATOM 362 CG LEU A 22 12.685 -11.621 -1.391 1.00 0.59 C ATOM 363 CD1 LEU A 22 11.901 -10.304 -1.510 1.00 0.52 C ATOM 364 CD2 LEU A 22 11.704 -12.796 -1.433 1.00 0.93 C ATOM 0 H LEU A 22 15.385 -11.432 -4.314 1.00 0.52 H new ATOM 0 HA LEU A 22 14.606 -9.877 -2.039 1.00 0.46 H new ATOM 0 HB2 LEU A 22 13.206 -11.476 -3.488 1.00 0.52 H new ATOM 0 HB3 LEU A 22 13.986 -12.805 -2.654 1.00 0.52 H new ATOM 0 HG LEU A 22 13.234 -11.618 -0.449 1.00 0.59 H new ATOM 0 HD11 LEU A 22 11.199 -10.222 -0.680 1.00 0.52 H new ATOM 0 HD12 LEU A 22 12.595 -9.464 -1.483 1.00 0.52 H new ATOM 0 HD13 LEU A 22 11.352 -10.291 -2.452 1.00 0.52 H new ATOM 0 HD21 LEU A 22 10.991 -12.704 -0.614 1.00 0.93 H new ATOM 0 HD22 LEU A 22 11.169 -12.789 -2.382 1.00 0.93 H new ATOM 0 HD23 LEU A 22 12.253 -13.732 -1.333 1.00 0.93 H new ATOM 376 N GLU A 23 16.684 -12.327 -1.471 1.00 0.44 N ATOM 377 CA GLU A 23 17.516 -12.928 -0.392 1.00 0.42 C ATOM 378 C GLU A 23 18.519 -11.887 0.114 1.00 0.38 C ATOM 379 O GLU A 23 18.920 -11.904 1.260 1.00 0.37 O ATOM 380 CB GLU A 23 18.264 -14.147 -0.937 1.00 0.47 C ATOM 381 CG GLU A 23 18.915 -14.911 0.218 1.00 1.13 C ATOM 382 CD GLU A 23 19.578 -16.180 -0.321 1.00 1.66 C ATOM 383 OE1 GLU A 23 19.835 -16.230 -1.513 1.00 2.28 O ATOM 384 OE2 GLU A 23 19.818 -17.080 0.467 1.00 2.30 O ATOM 0 H GLU A 23 16.908 -12.634 -2.418 1.00 0.44 H new ATOM 0 HA GLU A 23 16.874 -13.243 0.431 1.00 0.42 H new ATOM 0 HB2 GLU A 23 17.575 -14.799 -1.474 1.00 0.47 H new ATOM 0 HB3 GLU A 23 19.025 -13.830 -1.651 1.00 0.47 H new ATOM 0 HG2 GLU A 23 19.656 -14.283 0.712 1.00 1.13 H new ATOM 0 HG3 GLU A 23 18.165 -15.169 0.966 1.00 1.13 H new ATOM 391 N ILE A 24 18.926 -10.979 -0.734 1.00 0.39 N ATOM 392 CA ILE A 24 19.898 -9.941 -0.305 1.00 0.39 C ATOM 393 C ILE A 24 19.260 -9.064 0.776 1.00 0.36 C ATOM 394 O ILE A 24 19.874 -8.759 1.780 1.00 0.37 O ATOM 395 CB ILE A 24 20.288 -9.084 -1.515 1.00 0.44 C ATOM 396 CG1 ILE A 24 21.086 -9.947 -2.501 1.00 0.52 C ATOM 397 CG2 ILE A 24 21.143 -7.902 -1.049 1.00 0.48 C ATOM 398 CD1 ILE A 24 21.393 -9.152 -3.775 1.00 0.89 C ATOM 0 H ILE A 24 18.624 -10.915 -1.706 1.00 0.39 H new ATOM 0 HA ILE A 24 20.791 -10.415 0.102 1.00 0.39 H new ATOM 0 HB ILE A 24 19.392 -8.704 -2.005 1.00 0.44 H new ATOM 0 HG12 ILE A 24 22.016 -10.277 -2.037 1.00 0.52 H new ATOM 0 HG13 ILE A 24 20.519 -10.844 -2.751 1.00 0.52 H new ATOM 0 HG21 ILE A 24 21.421 -7.292 -1.909 1.00 0.48 H new ATOM 0 HG22 ILE A 24 20.574 -7.297 -0.344 1.00 0.48 H new ATOM 0 HG23 ILE A 24 22.044 -8.274 -0.562 1.00 0.48 H new ATOM 0 HD11 ILE A 24 21.960 -9.776 -4.466 1.00 0.89 H new ATOM 0 HD12 ILE A 24 20.459 -8.845 -4.246 1.00 0.89 H new ATOM 0 HD13 ILE A 24 21.979 -8.269 -3.520 1.00 0.89 H new ATOM 410 N LEU A 25 18.033 -8.660 0.589 1.00 0.34 N ATOM 411 CA LEU A 25 17.369 -7.811 1.618 1.00 0.34 C ATOM 412 C LEU A 25 17.194 -8.630 2.899 1.00 0.32 C ATOM 413 O LEU A 25 17.216 -8.103 3.994 1.00 0.34 O ATOM 414 CB LEU A 25 16.000 -7.353 1.105 1.00 0.36 C ATOM 415 CG LEU A 25 16.141 -6.761 -0.303 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.757 -6.379 -0.834 1.00 0.44 C ATOM 417 CD2 LEU A 25 17.036 -5.513 -0.259 1.00 0.41 C ATOM 0 H LEU A 25 17.464 -8.880 -0.228 1.00 0.34 H new ATOM 0 HA LEU A 25 17.982 -6.933 1.823 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.308 -8.195 1.087 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.579 -6.609 1.781 1.00 0.36 H new ATOM 0 HG LEU A 25 16.595 -7.502 -0.961 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.855 -5.958 -1.835 1.00 0.44 H new ATOM 0 HD12 LEU A 25 14.125 -7.266 -0.874 1.00 0.44 H new ATOM 0 HD13 LEU A 25 14.305 -5.640 -0.172 1.00 0.44 H new ATOM 0 HD21 LEU A 25 17.131 -5.098 -1.262 1.00 0.41 H new ATOM 0 HD22 LEU A 25 16.590 -4.769 0.401 1.00 0.41 H new ATOM 0 HD23 LEU A 25 18.022 -5.786 0.116 1.00 0.41 H new ATOM 429 N ARG A 26 17.031 -9.918 2.768 1.00 0.31 N ATOM 430 CA ARG A 26 16.867 -10.780 3.972 1.00 0.33 C ATOM 431 C ARG A 26 18.236 -10.998 4.619 1.00 0.31 C ATOM 432 O ARG A 26 18.380 -10.955 5.824 1.00 0.32 O ATOM 433 CB ARG A 26 16.274 -12.129 3.557 1.00 0.38 C ATOM 434 CG ARG A 26 16.041 -12.987 4.802 1.00 0.69 C ATOM 435 CD ARG A 26 15.167 -14.189 4.440 1.00 1.00 C ATOM 436 NE ARG A 26 15.204 -15.182 5.550 1.00 1.36 N ATOM 437 CZ ARG A 26 14.312 -16.132 5.606 1.00 1.86 C ATOM 438 NH1 ARG A 26 13.383 -16.207 4.693 1.00 2.36 N ATOM 439 NH2 ARG A 26 14.348 -17.005 6.575 1.00 2.46 N ATOM 0 H ARG A 26 17.004 -10.412 1.876 1.00 0.31 H new ATOM 0 HA ARG A 26 16.197 -10.297 4.684 1.00 0.33 H new ATOM 0 HB2 ARG A 26 15.335 -11.978 3.025 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.950 -12.640 2.871 1.00 0.38 H new ATOM 0 HG2 ARG A 26 16.995 -13.326 5.206 1.00 0.69 H new ATOM 0 HG3 ARG A 26 15.558 -12.395 5.579 1.00 0.69 H new ATOM 0 HD2 ARG A 26 14.142 -13.866 4.261 1.00 1.00 H new ATOM 0 HD3 ARG A 26 15.523 -14.646 3.517 1.00 1.00 H new ATOM 0 HE ARG A 26 15.927 -15.119 6.267 1.00 1.36 H new ATOM 0 HH11 ARG A 26 13.355 -15.523 3.937 1.00 2.36 H new ATOM 0 HH12 ARG A 26 12.685 -16.949 4.736 1.00 2.36 H new ATOM 0 HH21 ARG A 26 15.074 -16.945 7.289 1.00 2.46 H new ATOM 0 HH22 ARG A 26 13.650 -17.748 6.618 1.00 2.46 H new ATOM 453 N GLN A 27 19.248 -11.204 3.821 1.00 0.31 N ATOM 454 CA GLN A 27 20.618 -11.394 4.375 1.00 0.32 C ATOM 455 C GLN A 27 20.983 -10.192 5.244 1.00 0.31 C ATOM 456 O GLN A 27 21.513 -10.328 6.329 1.00 0.33 O ATOM 457 CB GLN A 27 21.613 -11.474 3.211 1.00 0.33 C ATOM 458 CG GLN A 27 22.966 -11.969 3.734 1.00 0.99 C ATOM 459 CD GLN A 27 24.005 -11.910 2.613 1.00 1.48 C ATOM 460 OE1 GLN A 27 24.157 -12.852 1.860 1.00 2.02 O ATOM 461 NE2 GLN A 27 24.734 -10.837 2.472 1.00 2.23 N ATOM 0 H GLN A 27 19.184 -11.249 2.804 1.00 0.31 H new ATOM 0 HA GLN A 27 20.652 -12.307 4.970 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.238 -12.150 2.443 1.00 0.33 H new ATOM 0 HB3 GLN A 27 21.726 -10.495 2.746 1.00 0.33 H new ATOM 0 HG2 GLN A 27 23.289 -11.355 4.575 1.00 0.99 H new ATOM 0 HG3 GLN A 27 22.873 -12.990 4.103 1.00 0.99 H new ATOM 0 HE21 GLN A 27 24.606 -10.047 3.104 1.00 2.23 H new ATOM 0 HE22 GLN A 27 25.432 -10.788 1.730 1.00 2.23 H new ATOM 470 N GLN A 28 20.701 -9.012 4.762 1.00 0.30 N ATOM 471 CA GLN A 28 21.027 -7.785 5.539 1.00 0.31 C ATOM 472 C GLN A 28 20.160 -7.738 6.795 1.00 0.30 C ATOM 473 O GLN A 28 20.600 -7.323 7.849 1.00 0.34 O ATOM 474 CB GLN A 28 20.746 -6.549 4.676 1.00 0.33 C ATOM 475 CG GLN A 28 21.369 -5.306 5.326 1.00 1.10 C ATOM 476 CD GLN A 28 22.871 -5.261 5.033 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.520 -4.263 5.278 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.456 -6.307 4.516 1.00 2.28 N ATOM 0 H GLN A 28 20.257 -8.846 3.859 1.00 0.30 H new ATOM 0 HA GLN A 28 22.079 -7.799 5.823 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.156 -6.692 3.676 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.671 -6.411 4.563 1.00 0.33 H new ATOM 0 HG2 GLN A 28 20.888 -4.406 4.944 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.200 -5.325 6.403 1.00 1.10 H new ATOM 0 HE21 GLN A 28 22.913 -7.145 4.310 1.00 2.28 H new ATOM 0 HE22 GLN A 28 24.456 -6.286 4.318 1.00 2.28 H new ATOM 487 N VAL A 29 18.930 -8.162 6.696 1.00 0.27 N ATOM 488 CA VAL A 29 18.047 -8.138 7.894 1.00 0.28 C ATOM 489 C VAL A 29 18.532 -9.199 8.890 1.00 0.30 C ATOM 490 O VAL A 29 18.749 -8.919 10.052 1.00 0.33 O ATOM 491 CB VAL A 29 16.602 -8.428 7.454 1.00 0.27 C ATOM 492 CG1 VAL A 29 15.742 -8.832 8.659 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.012 -7.171 6.805 1.00 0.27 C ATOM 0 H VAL A 29 18.501 -8.522 5.843 1.00 0.27 H new ATOM 0 HA VAL A 29 18.080 -7.161 8.376 1.00 0.28 H new ATOM 0 HB VAL A 29 16.608 -9.251 6.739 1.00 0.27 H new ATOM 0 HG11 VAL A 29 14.723 -9.033 8.328 1.00 0.30 H new ATOM 0 HG12 VAL A 29 16.158 -9.729 9.119 1.00 0.30 H new ATOM 0 HG13 VAL A 29 15.733 -8.022 9.388 1.00 0.30 H new ATOM 0 HG21 VAL A 29 14.987 -7.370 6.491 1.00 0.27 H new ATOM 0 HG22 VAL A 29 16.018 -6.353 7.525 1.00 0.27 H new ATOM 0 HG23 VAL A 29 16.610 -6.895 5.937 1.00 0.27 H new ATOM 503 N VAL A 30 18.698 -10.412 8.443 1.00 0.31 N ATOM 504 CA VAL A 30 19.163 -11.491 9.357 1.00 0.35 C ATOM 505 C VAL A 30 20.588 -11.197 9.829 1.00 0.37 C ATOM 506 O VAL A 30 20.924 -11.390 10.980 1.00 0.42 O ATOM 507 CB VAL A 30 19.147 -12.819 8.603 1.00 0.35 C ATOM 508 CG1 VAL A 30 19.599 -13.943 9.532 1.00 0.40 C ATOM 509 CG2 VAL A 30 17.730 -13.103 8.108 1.00 0.35 C ATOM 0 H VAL A 30 18.531 -10.703 7.480 1.00 0.31 H new ATOM 0 HA VAL A 30 18.503 -11.542 10.223 1.00 0.35 H new ATOM 0 HB VAL A 30 19.826 -12.762 7.752 1.00 0.35 H new ATOM 0 HG11 VAL A 30 19.586 -14.889 8.991 1.00 0.40 H new ATOM 0 HG12 VAL A 30 20.610 -13.740 9.884 1.00 0.40 H new ATOM 0 HG13 VAL A 30 18.923 -14.004 10.385 1.00 0.40 H new ATOM 0 HG21 VAL A 30 17.716 -14.051 7.569 1.00 0.35 H new ATOM 0 HG22 VAL A 30 17.052 -13.159 8.959 1.00 0.35 H new ATOM 0 HG23 VAL A 30 17.410 -12.302 7.442 1.00 0.35 H new ATOM 519 N SER A 31 21.431 -10.749 8.943 1.00 0.36 N ATOM 520 CA SER A 31 22.841 -10.463 9.335 1.00 0.39 C ATOM 521 C SER A 31 22.883 -9.395 10.434 1.00 0.42 C ATOM 522 O SER A 31 23.766 -9.392 11.269 1.00 0.47 O ATOM 523 CB SER A 31 23.620 -9.969 8.114 1.00 0.38 C ATOM 524 OG SER A 31 24.946 -9.638 8.505 1.00 1.36 O ATOM 0 H SER A 31 21.207 -10.568 7.965 1.00 0.36 H new ATOM 0 HA SER A 31 23.294 -11.379 9.715 1.00 0.39 H new ATOM 0 HB2 SER A 31 23.638 -10.740 7.343 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.128 -9.098 7.682 1.00 0.38 H new ATOM 0 HG SER A 31 25.448 -9.323 7.725 1.00 1.36 H new ATOM 530 N GLU A 32 21.947 -8.482 10.442 1.00 0.42 N ATOM 531 CA GLU A 32 21.957 -7.417 11.489 1.00 0.47 C ATOM 532 C GLU A 32 21.322 -7.944 12.780 1.00 0.49 C ATOM 533 O GLU A 32 21.372 -7.301 13.809 1.00 0.54 O ATOM 534 CB GLU A 32 21.169 -6.204 10.990 1.00 0.48 C ATOM 535 CG GLU A 32 21.912 -5.544 9.822 1.00 0.79 C ATOM 536 CD GLU A 32 23.076 -4.705 10.359 1.00 1.50 C ATOM 537 OE1 GLU A 32 22.819 -3.807 11.144 1.00 2.23 O ATOM 538 OE2 GLU A 32 24.202 -4.976 9.977 1.00 2.22 O ATOM 0 H GLU A 32 21.179 -8.427 9.772 1.00 0.42 H new ATOM 0 HA GLU A 32 22.988 -7.126 11.692 1.00 0.47 H new ATOM 0 HB2 GLU A 32 20.173 -6.512 10.671 1.00 0.48 H new ATOM 0 HB3 GLU A 32 21.037 -5.487 11.800 1.00 0.48 H new ATOM 0 HG2 GLU A 32 22.286 -6.307 9.139 1.00 0.79 H new ATOM 0 HG3 GLU A 32 21.229 -4.914 9.253 1.00 0.79 H new ATOM 545 N GLY A 33 20.735 -9.117 12.733 1.00 0.47 N ATOM 546 CA GLY A 33 20.098 -9.708 13.957 1.00 0.50 C ATOM 547 C GLY A 33 18.616 -9.989 13.691 1.00 0.50 C ATOM 548 O GLY A 33 17.891 -10.395 14.572 1.00 0.66 O ATOM 0 H GLY A 33 20.669 -9.695 11.895 1.00 0.47 H new ATOM 0 HA2 GLY A 33 20.608 -10.631 14.233 1.00 0.50 H new ATOM 0 HA3 GLY A 33 20.202 -9.023 14.798 1.00 0.50 H new ATOM 552 N GLY A 34 18.172 -9.792 12.479 1.00 0.43 N ATOM 553 CA GLY A 34 16.741 -10.064 12.147 1.00 0.43 C ATOM 554 C GLY A 34 15.842 -8.915 12.668 1.00 0.43 C ATOM 555 O GLY A 34 15.979 -7.803 12.198 1.00 0.41 O ATOM 0 H GLY A 34 18.739 -9.454 11.702 1.00 0.43 H new ATOM 0 HA2 GLY A 34 16.624 -10.166 11.068 1.00 0.43 H new ATOM 0 HA3 GLY A 34 16.430 -11.009 12.593 1.00 0.43 H new ATOM 559 N PRO A 35 14.939 -9.179 13.609 1.00 0.47 N ATOM 560 CA PRO A 35 14.052 -8.114 14.127 1.00 0.51 C ATOM 561 C PRO A 35 14.878 -6.928 14.643 1.00 0.52 C ATOM 562 O PRO A 35 14.524 -5.781 14.453 1.00 0.64 O ATOM 563 CB PRO A 35 13.254 -8.778 15.276 1.00 0.57 C ATOM 564 CG PRO A 35 13.643 -10.282 15.310 1.00 0.58 C ATOM 565 CD PRO A 35 14.722 -10.511 14.231 1.00 0.52 C ATOM 0 HA PRO A 35 13.393 -7.716 13.356 1.00 0.51 H new ATOM 0 HB2 PRO A 35 13.485 -8.301 16.228 1.00 0.57 H new ATOM 0 HB3 PRO A 35 12.182 -8.663 15.114 1.00 0.57 H new ATOM 0 HG2 PRO A 35 14.022 -10.557 16.294 1.00 0.58 H new ATOM 0 HG3 PRO A 35 12.771 -10.907 15.118 1.00 0.58 H new ATOM 0 HD2 PRO A 35 15.643 -10.895 14.670 1.00 0.52 H new ATOM 0 HD3 PRO A 35 14.392 -11.241 13.492 1.00 0.52 H new ATOM 573 N THR A 36 15.970 -7.201 15.299 1.00 0.50 N ATOM 574 CA THR A 36 16.822 -6.104 15.837 1.00 0.50 C ATOM 575 C THR A 36 17.533 -5.383 14.690 1.00 0.48 C ATOM 576 O THR A 36 18.419 -4.581 14.905 1.00 0.48 O ATOM 577 CB THR A 36 17.870 -6.707 16.775 1.00 0.51 C ATOM 578 OG1 THR A 36 18.573 -7.739 16.096 1.00 0.69 O ATOM 579 CG2 THR A 36 17.175 -7.286 18.009 1.00 0.80 C ATOM 0 H THR A 36 16.312 -8.143 15.487 1.00 0.50 H new ATOM 0 HA THR A 36 16.197 -5.391 16.375 1.00 0.50 H new ATOM 0 HB THR A 36 18.572 -5.933 17.085 1.00 0.51 H new ATOM 0 HG1 THR A 36 19.246 -8.125 16.695 1.00 0.69 H new ATOM 0 HG21 THR A 36 17.920 -7.716 18.678 1.00 0.80 H new ATOM 0 HG22 THR A 36 16.635 -6.494 18.528 1.00 0.80 H new ATOM 0 HG23 THR A 36 16.473 -8.061 17.701 1.00 0.80 H new ATOM 587 N ALA A 37 17.164 -5.670 13.472 1.00 0.48 N ATOM 588 CA ALA A 37 17.837 -5.006 12.319 1.00 0.48 C ATOM 589 C ALA A 37 17.437 -3.531 12.256 1.00 0.55 C ATOM 590 O ALA A 37 16.435 -3.122 12.809 1.00 1.10 O ATOM 591 CB ALA A 37 17.433 -5.700 11.018 1.00 0.42 C ATOM 0 H ALA A 37 16.429 -6.333 13.225 1.00 0.48 H new ATOM 0 HA ALA A 37 18.917 -5.078 12.450 1.00 0.48 H new ATOM 0 HB1 ALA A 37 17.926 -5.212 10.177 1.00 0.42 H new ATOM 0 HB2 ALA A 37 17.732 -6.748 11.056 1.00 0.42 H new ATOM 0 HB3 ALA A 37 16.352 -5.635 10.892 1.00 0.42 H new ATOM 597 N THR A 38 18.219 -2.728 11.585 1.00 0.45 N ATOM 598 CA THR A 38 17.892 -1.279 11.481 1.00 0.46 C ATOM 599 C THR A 38 16.548 -1.110 10.777 1.00 0.40 C ATOM 600 O THR A 38 15.967 -2.059 10.288 1.00 0.36 O ATOM 601 CB THR A 38 18.979 -0.563 10.676 1.00 0.48 C ATOM 602 OG1 THR A 38 19.192 -1.254 9.453 1.00 0.66 O ATOM 603 CG2 THR A 38 20.278 -0.534 11.481 1.00 0.66 C ATOM 0 H THR A 38 19.071 -3.015 11.104 1.00 0.45 H new ATOM 0 HA THR A 38 17.838 -0.849 12.481 1.00 0.46 H new ATOM 0 HB THR A 38 18.663 0.459 10.466 1.00 0.48 H new ATOM 0 HG1 THR A 38 19.887 -0.796 8.935 1.00 0.66 H new ATOM 0 HG21 THR A 38 21.051 -0.024 10.906 1.00 0.66 H new ATOM 0 HG22 THR A 38 20.113 -0.003 12.419 1.00 0.66 H new ATOM 0 HG23 THR A 38 20.598 -1.554 11.693 1.00 0.66 H new ATOM 611 N ILE A 39 16.048 0.092 10.719 1.00 0.47 N ATOM 612 CA ILE A 39 14.743 0.329 10.046 1.00 0.45 C ATOM 613 C ILE A 39 14.917 0.230 8.529 1.00 0.40 C ATOM 614 O ILE A 39 14.123 -0.379 7.840 1.00 0.38 O ATOM 615 CB ILE A 39 14.244 1.733 10.410 1.00 0.55 C ATOM 616 CG1 ILE A 39 13.977 1.811 11.931 1.00 0.73 C ATOM 617 CG2 ILE A 39 12.971 2.066 9.610 1.00 0.53 C ATOM 618 CD1 ILE A 39 12.640 1.153 12.315 1.00 0.73 C ATOM 0 H ILE A 39 16.490 0.924 11.111 1.00 0.47 H new ATOM 0 HA ILE A 39 14.022 -0.420 10.373 1.00 0.45 H new ATOM 0 HB ILE A 39 15.007 2.468 10.153 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.790 1.321 12.468 1.00 0.73 H new ATOM 0 HG13 ILE A 39 13.971 2.855 12.245 1.00 0.73 H new ATOM 0 HG21 ILE A 39 12.625 3.065 9.876 1.00 0.53 H new ATOM 0 HG22 ILE A 39 13.192 2.031 8.543 1.00 0.53 H new ATOM 0 HG23 ILE A 39 12.194 1.339 9.844 1.00 0.53 H new ATOM 0 HD11 ILE A 39 12.493 1.230 13.392 1.00 0.73 H new ATOM 0 HD12 ILE A 39 11.824 1.660 11.800 1.00 0.73 H new ATOM 0 HD13 ILE A 39 12.655 0.102 12.025 1.00 0.73 H new ATOM 630 N GLN A 40 15.948 0.831 8.006 1.00 0.42 N ATOM 631 CA GLN A 40 16.175 0.781 6.535 1.00 0.43 C ATOM 632 C GLN A 40 16.299 -0.674 6.085 1.00 0.35 C ATOM 633 O GLN A 40 16.008 -1.013 4.955 1.00 0.37 O ATOM 634 CB GLN A 40 17.463 1.532 6.192 1.00 0.53 C ATOM 635 CG GLN A 40 17.375 2.965 6.719 1.00 1.38 C ATOM 636 CD GLN A 40 18.678 3.704 6.406 1.00 1.91 C ATOM 637 OE1 GLN A 40 19.704 3.088 6.199 1.00 2.54 O ATOM 638 NE2 GLN A 40 18.680 5.008 6.363 1.00 2.43 N ATOM 0 H GLN A 40 16.645 1.356 8.535 1.00 0.42 H new ATOM 0 HA GLN A 40 15.334 1.248 6.023 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.321 1.024 6.632 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.616 1.539 5.113 1.00 0.53 H new ATOM 0 HG2 GLN A 40 16.532 3.482 6.260 1.00 1.38 H new ATOM 0 HG3 GLN A 40 17.197 2.958 7.794 1.00 1.38 H new ATOM 0 HE21 GLN A 40 17.818 5.525 6.537 1.00 2.43 H new ATOM 0 HE22 GLN A 40 19.543 5.510 6.156 1.00 2.43 H new ATOM 647 N SER A 41 16.739 -1.535 6.958 1.00 0.31 N ATOM 648 CA SER A 41 16.895 -2.967 6.580 1.00 0.28 C ATOM 649 C SER A 41 15.519 -3.608 6.387 1.00 0.24 C ATOM 650 O SER A 41 15.272 -4.281 5.406 1.00 0.25 O ATOM 651 CB SER A 41 17.645 -3.705 7.687 1.00 0.29 C ATOM 652 OG SER A 41 18.928 -3.118 7.857 1.00 1.32 O ATOM 0 H SER A 41 16.998 -1.309 7.918 1.00 0.31 H new ATOM 0 HA SER A 41 17.456 -3.032 5.648 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.083 -3.654 8.619 1.00 0.29 H new ATOM 0 HB3 SER A 41 17.746 -4.760 7.433 1.00 0.29 H new ATOM 0 HG SER A 41 18.835 -2.252 8.307 1.00 1.32 H new ATOM 658 N ARG A 42 14.623 -3.410 7.313 1.00 0.22 N ATOM 659 CA ARG A 42 13.270 -4.017 7.173 1.00 0.21 C ATOM 660 C ARG A 42 12.462 -3.231 6.138 1.00 0.20 C ATOM 661 O ARG A 42 11.663 -3.786 5.410 1.00 0.20 O ATOM 662 CB ARG A 42 12.555 -3.996 8.531 1.00 0.24 C ATOM 663 CG ARG A 42 13.204 -5.026 9.467 1.00 0.52 C ATOM 664 CD ARG A 42 12.317 -5.254 10.695 1.00 0.82 C ATOM 665 NE ARG A 42 11.857 -3.943 11.260 1.00 1.50 N ATOM 666 CZ ARG A 42 12.701 -3.015 11.628 1.00 1.92 C ATOM 667 NH1 ARG A 42 13.984 -3.254 11.663 1.00 1.83 N ATOM 668 NH2 ARG A 42 12.251 -1.856 12.023 1.00 2.91 N ATOM 0 H ARG A 42 14.768 -2.857 8.157 1.00 0.22 H new ATOM 0 HA ARG A 42 13.364 -5.050 6.839 1.00 0.21 H new ATOM 0 HB2 ARG A 42 12.615 -3.000 8.971 1.00 0.24 H new ATOM 0 HB3 ARG A 42 11.497 -4.223 8.401 1.00 0.24 H new ATOM 0 HG2 ARG A 42 13.354 -5.967 8.937 1.00 0.52 H new ATOM 0 HG3 ARG A 42 14.188 -4.676 9.779 1.00 0.52 H new ATOM 0 HD2 ARG A 42 11.455 -5.861 10.420 1.00 0.82 H new ATOM 0 HD3 ARG A 42 12.870 -5.809 11.453 1.00 0.82 H new ATOM 0 HE ARG A 42 10.857 -3.771 11.360 1.00 1.50 H new ATOM 0 HH11 ARG A 42 14.339 -4.174 11.401 1.00 1.83 H new ATOM 0 HH12 ARG A 42 14.632 -2.521 11.952 1.00 1.83 H new ATOM 0 HH21 ARG A 42 11.247 -1.679 12.043 1.00 2.91 H new ATOM 0 HH22 ARG A 42 12.903 -1.127 12.312 1.00 2.91 H new ATOM 682 N PHE A 43 12.659 -1.943 6.065 1.00 0.22 N ATOM 683 CA PHE A 43 11.897 -1.128 5.076 1.00 0.24 C ATOM 684 C PHE A 43 12.026 -1.746 3.681 1.00 0.23 C ATOM 685 O PHE A 43 11.045 -1.952 2.994 1.00 0.23 O ATOM 686 CB PHE A 43 12.450 0.298 5.052 1.00 0.28 C ATOM 687 CG PHE A 43 11.593 1.155 4.149 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.484 1.831 4.672 1.00 1.40 C ATOM 689 CD2 PHE A 43 11.908 1.274 2.790 1.00 1.18 C ATOM 690 CE1 PHE A 43 9.690 2.625 3.836 1.00 1.48 C ATOM 691 CE2 PHE A 43 11.114 2.069 1.954 1.00 1.22 C ATOM 692 CZ PHE A 43 10.005 2.744 2.477 1.00 0.70 C ATOM 0 H PHE A 43 13.314 -1.420 6.647 1.00 0.22 H new ATOM 0 HA PHE A 43 10.846 -1.108 5.365 1.00 0.24 H new ATOM 0 HB2 PHE A 43 12.462 0.712 6.060 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.481 0.294 4.697 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.241 1.740 5.720 1.00 1.40 H new ATOM 0 HD2 PHE A 43 12.763 0.753 2.386 1.00 1.18 H new ATOM 0 HE1 PHE A 43 8.834 3.146 4.239 1.00 1.48 H new ATOM 0 HE2 PHE A 43 11.357 2.161 0.906 1.00 1.22 H new ATOM 0 HZ PHE A 43 9.392 3.357 1.832 1.00 0.70 H new ATOM 702 N ASN A 44 13.223 -2.035 3.246 1.00 0.24 N ATOM 703 CA ASN A 44 13.401 -2.629 1.889 1.00 0.24 C ATOM 704 C ASN A 44 12.861 -4.061 1.869 1.00 0.22 C ATOM 705 O ASN A 44 12.239 -4.486 0.916 1.00 0.23 O ATOM 706 CB ASN A 44 14.891 -2.644 1.535 1.00 0.25 C ATOM 707 CG ASN A 44 15.436 -1.214 1.555 1.00 0.95 C ATOM 708 OD1 ASN A 44 14.781 -0.296 1.106 1.00 1.73 O ATOM 709 ND2 ASN A 44 16.618 -0.986 2.062 1.00 1.67 N ATOM 0 H ASN A 44 14.085 -1.886 3.771 1.00 0.24 H new ATOM 0 HA ASN A 44 12.853 -2.030 1.161 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.438 -3.263 2.246 1.00 0.25 H new ATOM 0 HB3 ASN A 44 15.037 -3.086 0.549 1.00 0.25 H new ATOM 0 HD21 ASN A 44 16.990 -0.037 2.081 1.00 1.67 H new ATOM 0 HD22 ASN A 44 17.169 -1.757 2.439 1.00 1.67 H new ATOM 716 N TYR A 45 13.097 -4.812 2.910 1.00 0.21 N ATOM 717 CA TYR A 45 12.600 -6.217 2.945 1.00 0.20 C ATOM 718 C TYR A 45 11.086 -6.230 2.723 1.00 0.21 C ATOM 719 O TYR A 45 10.553 -7.102 2.067 1.00 0.22 O ATOM 720 CB TYR A 45 12.926 -6.832 4.307 1.00 0.20 C ATOM 721 CG TYR A 45 12.438 -8.265 4.356 1.00 0.21 C ATOM 722 CD1 TYR A 45 12.988 -9.223 3.493 1.00 1.33 C ATOM 723 CD2 TYR A 45 11.438 -8.640 5.267 1.00 1.12 C ATOM 724 CE1 TYR A 45 12.540 -10.548 3.540 1.00 1.43 C ATOM 725 CE2 TYR A 45 10.992 -9.966 5.312 1.00 1.05 C ATOM 726 CZ TYR A 45 11.543 -10.920 4.449 1.00 0.43 C ATOM 727 OH TYR A 45 11.102 -12.227 4.494 1.00 0.57 O ATOM 0 H TYR A 45 13.613 -4.513 3.738 1.00 0.21 H new ATOM 0 HA TYR A 45 13.083 -6.797 2.158 1.00 0.20 H new ATOM 0 HB2 TYR A 45 14.001 -6.799 4.483 1.00 0.20 H new ATOM 0 HB3 TYR A 45 12.455 -6.251 5.100 1.00 0.20 H new ATOM 0 HD1 TYR A 45 13.758 -8.938 2.791 1.00 1.33 H new ATOM 0 HD2 TYR A 45 11.012 -7.905 5.934 1.00 1.12 H new ATOM 0 HE1 TYR A 45 12.964 -11.285 2.874 1.00 1.43 H new ATOM 0 HE2 TYR A 45 10.222 -10.253 6.013 1.00 1.05 H new ATOM 0 HH TYR A 45 10.409 -12.315 5.181 1.00 0.57 H new ATOM 737 N ALA A 46 10.389 -5.268 3.264 1.00 0.22 N ATOM 738 CA ALA A 46 8.911 -5.225 3.083 1.00 0.24 C ATOM 739 C ALA A 46 8.583 -4.791 1.654 1.00 0.25 C ATOM 740 O ALA A 46 7.576 -5.176 1.093 1.00 0.28 O ATOM 741 CB ALA A 46 8.304 -4.225 4.069 1.00 0.26 C ATOM 0 H ALA A 46 10.780 -4.510 3.824 1.00 0.22 H new ATOM 0 HA ALA A 46 8.496 -6.216 3.267 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.223 -4.194 3.936 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.536 -4.533 5.089 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.721 -3.235 3.886 1.00 0.26 H new ATOM 747 N TRP A 47 9.422 -3.987 1.062 1.00 0.26 N ATOM 748 CA TRP A 47 9.154 -3.525 -0.328 1.00 0.29 C ATOM 749 C TRP A 47 9.226 -4.713 -1.291 1.00 0.29 C ATOM 750 O TRP A 47 8.367 -4.891 -2.132 1.00 0.29 O ATOM 751 CB TRP A 47 10.195 -2.468 -0.718 1.00 0.33 C ATOM 752 CG TRP A 47 10.055 -2.111 -2.168 1.00 0.34 C ATOM 753 CD1 TRP A 47 11.006 -2.314 -3.108 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.926 -1.492 -2.856 1.00 0.35 C ATOM 755 NE1 TRP A 47 10.536 -1.862 -4.328 1.00 0.40 N ATOM 756 CE2 TRP A 47 9.259 -1.348 -4.225 1.00 0.38 C ATOM 757 CE3 TRP A 47 7.659 -1.047 -2.433 1.00 0.36 C ATOM 758 CZ2 TRP A 47 8.368 -0.784 -5.141 1.00 0.42 C ATOM 759 CZ3 TRP A 47 6.762 -0.478 -3.353 1.00 0.42 C ATOM 760 CH2 TRP A 47 7.115 -0.348 -4.703 1.00 0.44 C ATOM 0 H TRP A 47 10.281 -3.630 1.481 1.00 0.26 H new ATOM 0 HA TRP A 47 8.157 -3.088 -0.383 1.00 0.29 H new ATOM 0 HB2 TRP A 47 10.067 -1.577 -0.103 1.00 0.33 H new ATOM 0 HB3 TRP A 47 11.199 -2.847 -0.525 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.975 -2.757 -2.934 1.00 0.38 H new ATOM 0 HE1 TRP A 47 11.068 -1.903 -5.197 1.00 0.40 H new ATOM 0 HE3 TRP A 47 7.375 -1.143 -1.396 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 8.646 -0.686 -6.180 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 5.793 -0.138 -3.017 1.00 0.42 H new ATOM 0 HH2 TRP A 47 6.419 0.089 -5.404 1.00 0.44 H new ATOM 771 N GLY A 48 10.248 -5.521 -1.194 1.00 0.29 N ATOM 772 CA GLY A 48 10.368 -6.678 -2.125 1.00 0.30 C ATOM 773 C GLY A 48 9.176 -7.617 -1.949 1.00 0.27 C ATOM 774 O GLY A 48 8.656 -8.158 -2.905 1.00 0.29 O ATOM 0 H GLY A 48 11.002 -5.430 -0.513 1.00 0.29 H new ATOM 0 HA2 GLY A 48 10.413 -6.323 -3.155 1.00 0.30 H new ATOM 0 HA3 GLY A 48 11.296 -7.216 -1.932 1.00 0.30 H new ATOM 778 N LEU A 49 8.740 -7.821 -0.739 1.00 0.25 N ATOM 779 CA LEU A 49 7.585 -8.732 -0.511 1.00 0.24 C ATOM 780 C LEU A 49 6.338 -8.166 -1.190 1.00 0.24 C ATOM 781 O LEU A 49 5.454 -8.899 -1.588 1.00 0.29 O ATOM 782 CB LEU A 49 7.333 -8.871 0.993 1.00 0.23 C ATOM 783 CG LEU A 49 8.501 -9.623 1.652 1.00 0.23 C ATOM 784 CD1 LEU A 49 8.413 -9.465 3.179 1.00 0.24 C ATOM 785 CD2 LEU A 49 8.452 -11.122 1.287 1.00 0.26 C ATOM 0 H LEU A 49 9.133 -7.397 0.102 1.00 0.25 H new ATOM 0 HA LEU A 49 7.810 -9.711 -0.934 1.00 0.24 H new ATOM 0 HB2 LEU A 49 7.223 -7.885 1.445 1.00 0.23 H new ATOM 0 HB3 LEU A 49 6.400 -9.407 1.166 1.00 0.23 H new ATOM 0 HG LEU A 49 9.439 -9.204 1.289 1.00 0.23 H new ATOM 0 HD11 LEU A 49 9.240 -9.998 3.648 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.468 -8.408 3.439 1.00 0.24 H new ATOM 0 HD13 LEU A 49 7.468 -9.877 3.534 1.00 0.24 H new ATOM 0 HD21 LEU A 49 9.286 -11.639 1.762 1.00 0.26 H new ATOM 0 HD22 LEU A 49 7.513 -11.551 1.636 1.00 0.26 H new ATOM 0 HD23 LEU A 49 8.523 -11.236 0.205 1.00 0.26 H new ATOM 797 N ILE A 50 6.252 -6.872 -1.330 1.00 0.24 N ATOM 798 CA ILE A 50 5.052 -6.281 -1.986 1.00 0.26 C ATOM 799 C ILE A 50 5.136 -6.495 -3.499 1.00 0.27 C ATOM 800 O ILE A 50 4.129 -6.598 -4.171 1.00 0.29 O ATOM 801 CB ILE A 50 4.970 -4.783 -1.670 1.00 0.28 C ATOM 802 CG1 ILE A 50 4.619 -4.606 -0.189 1.00 0.32 C ATOM 803 CG2 ILE A 50 3.883 -4.128 -2.533 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.774 -3.137 0.207 1.00 0.73 C ATOM 0 H ILE A 50 6.956 -6.202 -1.021 1.00 0.24 H new ATOM 0 HA ILE A 50 4.155 -6.771 -1.606 1.00 0.26 H new ATOM 0 HB ILE A 50 5.929 -4.311 -1.885 1.00 0.28 H new ATOM 0 HG12 ILE A 50 3.596 -4.936 -0.006 1.00 0.32 H new ATOM 0 HG13 ILE A 50 5.269 -5.229 0.425 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.829 -3.064 -2.304 1.00 0.32 H new ATOM 0 HG22 ILE A 50 4.126 -4.261 -3.587 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.921 -4.594 -2.321 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.523 -3.016 1.261 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.804 -2.822 0.040 1.00 0.73 H new ATOM 0 HD13 ILE A 50 4.105 -2.525 -0.398 1.00 0.73 H new ATOM 816 N LYS A 51 6.318 -6.568 -4.051 1.00 0.28 N ATOM 817 CA LYS A 51 6.438 -6.779 -5.523 1.00 0.31 C ATOM 818 C LYS A 51 6.094 -8.228 -5.860 1.00 0.31 C ATOM 819 O LYS A 51 5.899 -8.581 -7.006 1.00 0.36 O ATOM 820 CB LYS A 51 7.879 -6.484 -5.956 1.00 0.37 C ATOM 821 CG LYS A 51 8.263 -5.045 -5.554 1.00 0.72 C ATOM 822 CD LYS A 51 9.394 -4.514 -6.463 1.00 0.79 C ATOM 823 CE LYS A 51 8.801 -3.796 -7.684 1.00 0.87 C ATOM 824 NZ LYS A 51 7.616 -4.549 -8.184 1.00 1.58 N ATOM 0 H LYS A 51 7.202 -6.491 -3.549 1.00 0.28 H new ATOM 0 HA LYS A 51 5.752 -6.113 -6.046 1.00 0.31 H new ATOM 0 HB2 LYS A 51 8.561 -7.195 -5.490 1.00 0.37 H new ATOM 0 HB3 LYS A 51 7.977 -6.608 -7.034 1.00 0.37 H new ATOM 0 HG2 LYS A 51 7.391 -4.395 -5.630 1.00 0.72 H new ATOM 0 HG3 LYS A 51 8.585 -5.025 -4.513 1.00 0.72 H new ATOM 0 HD2 LYS A 51 10.029 -3.829 -5.902 1.00 0.79 H new ATOM 0 HD3 LYS A 51 10.026 -5.340 -6.789 1.00 0.79 H new ATOM 0 HE2 LYS A 51 8.511 -2.780 -7.415 1.00 0.87 H new ATOM 0 HE3 LYS A 51 9.551 -3.716 -8.471 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 7.157 -4.009 -8.945 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 7.921 -5.473 -8.551 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 6.941 -4.691 -7.405 1.00 1.58 H new ATOM 838 N SER A 52 6.021 -9.071 -4.870 1.00 0.32 N ATOM 839 CA SER A 52 5.690 -10.498 -5.129 1.00 0.34 C ATOM 840 C SER A 52 4.307 -10.593 -5.777 1.00 0.35 C ATOM 841 O SER A 52 3.491 -9.702 -5.657 1.00 0.36 O ATOM 842 CB SER A 52 5.685 -11.261 -3.807 1.00 0.36 C ATOM 843 OG SER A 52 6.977 -11.192 -3.219 1.00 1.14 O ATOM 0 H SER A 52 6.177 -8.833 -3.891 1.00 0.32 H new ATOM 0 HA SER A 52 6.434 -10.930 -5.799 1.00 0.34 H new ATOM 0 HB2 SER A 52 4.943 -10.836 -3.132 1.00 0.36 H new ATOM 0 HB3 SER A 52 5.405 -12.301 -3.975 1.00 0.36 H new ATOM 0 HG SER A 52 6.938 -11.538 -2.303 1.00 1.14 H new ATOM 849 N THR A 53 4.041 -11.669 -6.468 1.00 0.38 N ATOM 850 CA THR A 53 2.714 -11.827 -7.130 1.00 0.41 C ATOM 851 C THR A 53 1.716 -12.442 -6.147 1.00 0.40 C ATOM 852 O THR A 53 0.535 -12.156 -6.190 1.00 0.52 O ATOM 853 CB THR A 53 2.858 -12.742 -8.347 1.00 0.46 C ATOM 854 OG1 THR A 53 3.383 -13.997 -7.934 1.00 0.51 O ATOM 855 CG2 THR A 53 3.805 -12.097 -9.359 1.00 0.49 C ATOM 0 H THR A 53 4.687 -12.447 -6.603 1.00 0.38 H new ATOM 0 HA THR A 53 2.352 -10.849 -7.448 1.00 0.41 H new ATOM 0 HB THR A 53 1.882 -12.892 -8.810 1.00 0.46 H new ATOM 0 HG1 THR A 53 3.474 -14.585 -8.712 1.00 0.51 H new ATOM 0 HG21 THR A 53 3.908 -12.748 -10.227 1.00 0.49 H new ATOM 0 HG22 THR A 53 3.401 -11.135 -9.673 1.00 0.49 H new ATOM 0 HG23 THR A 53 4.782 -11.947 -8.899 1.00 0.49 H new ATOM 863 N ASP A 54 2.174 -13.284 -5.260 1.00 0.39 N ATOM 864 CA ASP A 54 1.239 -13.911 -4.283 1.00 0.38 C ATOM 865 C ASP A 54 0.848 -12.883 -3.214 1.00 0.37 C ATOM 866 O ASP A 54 1.588 -11.976 -2.889 1.00 0.36 O ATOM 867 CB ASP A 54 1.895 -15.135 -3.637 1.00 0.38 C ATOM 868 CG ASP A 54 0.830 -16.002 -2.962 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.025 -16.510 -3.668 1.00 1.86 O ATOM 870 OD2 ASP A 54 0.891 -16.146 -1.752 1.00 2.18 O ATOM 0 H ASP A 54 3.151 -13.564 -5.170 1.00 0.39 H new ATOM 0 HA ASP A 54 0.339 -14.239 -4.804 1.00 0.38 H new ATOM 0 HB2 ASP A 54 2.424 -15.716 -4.392 1.00 0.38 H new ATOM 0 HB3 ASP A 54 2.636 -14.817 -2.903 1.00 0.38 H new ATOM 875 N VAL A 55 -0.335 -13.038 -2.680 1.00 0.37 N ATOM 876 CA VAL A 55 -0.851 -12.106 -1.637 1.00 0.37 C ATOM 877 C VAL A 55 -0.255 -12.460 -0.268 1.00 0.35 C ATOM 878 O VAL A 55 -0.293 -11.674 0.658 1.00 0.35 O ATOM 879 CB VAL A 55 -2.385 -12.211 -1.596 1.00 0.39 C ATOM 880 CG1 VAL A 55 -2.818 -13.465 -0.824 1.00 0.42 C ATOM 881 CG2 VAL A 55 -2.973 -10.969 -0.922 1.00 0.40 C ATOM 0 H VAL A 55 -0.979 -13.789 -2.930 1.00 0.37 H new ATOM 0 HA VAL A 55 -0.560 -11.084 -1.879 1.00 0.37 H new ATOM 0 HB VAL A 55 -2.754 -12.281 -2.619 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -3.906 -13.523 -0.805 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -2.416 -14.351 -1.315 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -2.440 -13.412 0.197 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.060 -11.049 -0.896 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -2.590 -10.892 0.096 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -2.688 -10.080 -1.485 1.00 0.40 H new ATOM 891 N ASN A 56 0.300 -13.629 -0.140 1.00 0.34 N ATOM 892 CA ASN A 56 0.901 -14.026 1.163 1.00 0.34 C ATOM 893 C ASN A 56 2.031 -13.056 1.517 1.00 0.31 C ATOM 894 O ASN A 56 2.101 -12.536 2.614 1.00 0.31 O ATOM 895 CB ASN A 56 1.464 -15.444 1.056 1.00 0.36 C ATOM 896 CG ASN A 56 2.123 -15.830 2.382 1.00 1.34 C ATOM 897 OD1 ASN A 56 3.176 -15.327 2.719 1.00 2.14 O ATOM 898 ND2 ASN A 56 1.542 -16.706 3.155 1.00 2.11 N ATOM 0 H ASN A 56 0.364 -14.328 -0.880 1.00 0.34 H new ATOM 0 HA ASN A 56 0.137 -13.997 1.940 1.00 0.34 H new ATOM 0 HB2 ASN A 56 0.666 -16.147 0.815 1.00 0.36 H new ATOM 0 HB3 ASN A 56 2.192 -15.498 0.246 1.00 0.36 H new ATOM 0 HD21 ASN A 56 1.972 -16.968 4.042 1.00 2.11 H new ATOM 0 HD22 ASN A 56 0.658 -17.129 2.872 1.00 2.11 H new ATOM 905 N ASP A 57 2.919 -12.813 0.594 1.00 0.30 N ATOM 906 CA ASP A 57 4.051 -11.885 0.864 1.00 0.30 C ATOM 907 C ASP A 57 3.533 -10.446 0.973 1.00 0.29 C ATOM 908 O ASP A 57 4.066 -9.642 1.712 1.00 0.28 O ATOM 909 CB ASP A 57 5.057 -11.988 -0.287 1.00 0.33 C ATOM 910 CG ASP A 57 5.896 -13.259 -0.131 1.00 0.42 C ATOM 911 OD1 ASP A 57 5.359 -14.244 0.349 1.00 1.09 O ATOM 912 OD2 ASP A 57 7.059 -13.226 -0.497 1.00 1.23 O ATOM 0 H ASP A 57 2.909 -13.220 -0.341 1.00 0.30 H new ATOM 0 HA ASP A 57 4.533 -12.155 1.804 1.00 0.30 H new ATOM 0 HB2 ASP A 57 4.531 -12.004 -1.242 1.00 0.33 H new ATOM 0 HB3 ASP A 57 5.706 -11.112 -0.295 1.00 0.33 H new ATOM 917 N GLU A 58 2.504 -10.110 0.243 1.00 0.33 N ATOM 918 CA GLU A 58 1.967 -8.719 0.310 1.00 0.36 C ATOM 919 C GLU A 58 1.409 -8.449 1.710 1.00 0.34 C ATOM 920 O GLU A 58 1.528 -7.361 2.238 1.00 0.34 O ATOM 921 CB GLU A 58 0.850 -8.550 -0.722 1.00 0.42 C ATOM 922 CG GLU A 58 1.416 -8.756 -2.128 1.00 0.92 C ATOM 923 CD GLU A 58 0.271 -8.761 -3.144 1.00 1.66 C ATOM 924 OE1 GLU A 58 -0.841 -8.445 -2.754 1.00 2.21 O ATOM 925 OE2 GLU A 58 0.526 -9.082 -4.293 1.00 2.45 O ATOM 0 H GLU A 58 2.013 -10.736 -0.395 1.00 0.33 H new ATOM 0 HA GLU A 58 2.770 -8.014 0.097 1.00 0.36 H new ATOM 0 HB2 GLU A 58 0.053 -9.268 -0.531 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.410 -7.556 -0.638 1.00 0.42 H new ATOM 0 HG2 GLU A 58 2.124 -7.962 -2.366 1.00 0.92 H new ATOM 0 HG3 GLU A 58 1.964 -9.697 -2.177 1.00 0.92 H new ATOM 932 N ARG A 59 0.799 -9.431 2.314 1.00 0.33 N ATOM 933 CA ARG A 59 0.229 -9.235 3.678 1.00 0.34 C ATOM 934 C ARG A 59 1.359 -9.172 4.704 1.00 0.30 C ATOM 935 O ARG A 59 1.221 -8.579 5.756 1.00 0.31 O ATOM 936 CB ARG A 59 -0.697 -10.406 4.017 1.00 0.40 C ATOM 937 CG ARG A 59 -1.911 -10.388 3.082 1.00 0.68 C ATOM 938 CD ARG A 59 -2.622 -11.743 3.130 1.00 0.95 C ATOM 939 NE ARG A 59 -3.194 -11.955 4.490 1.00 1.62 N ATOM 940 CZ ARG A 59 -4.080 -12.893 4.685 1.00 2.13 C ATOM 941 NH1 ARG A 59 -4.456 -13.651 3.691 1.00 2.23 N ATOM 942 NH2 ARG A 59 -4.588 -13.074 5.873 1.00 3.12 N ATOM 0 H ARG A 59 0.670 -10.363 1.921 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.335 -8.302 3.702 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -0.160 -11.349 3.914 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.023 -10.336 5.055 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -2.598 -9.596 3.378 1.00 0.68 H new ATOM 0 HG3 ARG A 59 -1.593 -10.170 2.062 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -3.413 -11.777 2.381 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -1.921 -12.542 2.890 1.00 0.95 H new ATOM 0 HE ARG A 59 -2.893 -11.367 5.268 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -4.057 -13.510 2.763 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -5.148 -14.384 3.843 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -4.293 -12.482 6.650 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -5.281 -13.807 6.025 1.00 3.12 H new ATOM 956 N LEU A 60 2.479 -9.772 4.409 1.00 0.28 N ATOM 957 CA LEU A 60 3.614 -9.737 5.373 1.00 0.27 C ATOM 958 C LEU A 60 4.269 -8.354 5.323 1.00 0.25 C ATOM 959 O LEU A 60 4.627 -7.789 6.337 1.00 0.26 O ATOM 960 CB LEU A 60 4.635 -10.817 4.992 1.00 0.29 C ATOM 961 CG LEU A 60 5.865 -10.749 5.911 1.00 0.30 C ATOM 962 CD1 LEU A 60 5.441 -10.889 7.382 1.00 0.32 C ATOM 963 CD2 LEU A 60 6.821 -11.889 5.542 1.00 0.34 C ATOM 0 H LEU A 60 2.657 -10.284 3.545 1.00 0.28 H new ATOM 0 HA LEU A 60 3.253 -9.928 6.384 1.00 0.27 H new ATOM 0 HB2 LEU A 60 4.174 -11.802 5.065 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.942 -10.685 3.955 1.00 0.29 H new ATOM 0 HG LEU A 60 6.360 -9.787 5.782 1.00 0.30 H new ATOM 0 HD11 LEU A 60 6.323 -10.839 8.021 1.00 0.32 H new ATOM 0 HD12 LEU A 60 4.758 -10.081 7.642 1.00 0.32 H new ATOM 0 HD13 LEU A 60 4.942 -11.847 7.527 1.00 0.32 H new ATOM 0 HD21 LEU A 60 7.698 -11.851 6.188 1.00 0.34 H new ATOM 0 HD22 LEU A 60 6.315 -12.845 5.673 1.00 0.34 H new ATOM 0 HD23 LEU A 60 7.131 -11.782 4.502 1.00 0.34 H new ATOM 975 N GLY A 61 4.429 -7.806 4.149 1.00 0.22 N ATOM 976 CA GLY A 61 5.062 -6.461 4.030 1.00 0.21 C ATOM 977 C GLY A 61 4.179 -5.413 4.711 1.00 0.20 C ATOM 978 O GLY A 61 4.660 -4.542 5.408 1.00 0.21 O ATOM 0 H GLY A 61 4.148 -8.232 3.266 1.00 0.22 H new ATOM 0 HA2 GLY A 61 6.050 -6.472 4.489 1.00 0.21 H new ATOM 0 HA3 GLY A 61 5.202 -6.206 2.980 1.00 0.21 H new ATOM 982 N VAL A 62 2.891 -5.486 4.513 1.00 0.20 N ATOM 983 CA VAL A 62 1.981 -4.491 5.149 1.00 0.21 C ATOM 984 C VAL A 62 2.190 -4.519 6.669 1.00 0.22 C ATOM 985 O VAL A 62 2.336 -3.493 7.303 1.00 0.25 O ATOM 986 CB VAL A 62 0.517 -4.845 4.790 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.446 -4.401 5.905 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.127 -4.148 3.479 1.00 0.31 C ATOM 0 H VAL A 62 2.430 -6.191 3.939 1.00 0.20 H new ATOM 0 HA VAL A 62 2.199 -3.487 4.784 1.00 0.21 H new ATOM 0 HB VAL A 62 0.444 -5.927 4.676 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.468 -4.661 5.628 1.00 0.28 H new ATOM 0 HG12 VAL A 62 -0.183 -4.905 6.835 1.00 0.28 H new ATOM 0 HG13 VAL A 62 -0.371 -3.322 6.043 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.904 -4.398 3.227 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.220 -3.069 3.599 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.787 -4.482 2.679 1.00 0.31 H new ATOM 998 N LYS A 63 2.191 -5.682 7.256 1.00 0.24 N ATOM 999 CA LYS A 63 2.376 -5.770 8.731 1.00 0.28 C ATOM 1000 C LYS A 63 3.714 -5.137 9.125 1.00 0.26 C ATOM 1001 O LYS A 63 3.819 -4.471 10.136 1.00 0.29 O ATOM 1002 CB LYS A 63 2.346 -7.238 9.153 1.00 0.33 C ATOM 1003 CG LYS A 63 2.399 -7.335 10.680 1.00 0.47 C ATOM 1004 CD LYS A 63 2.348 -8.808 11.113 1.00 0.58 C ATOM 1005 CE LYS A 63 0.963 -9.408 10.823 1.00 1.60 C ATOM 1006 NZ LYS A 63 0.737 -10.577 11.719 1.00 2.36 N ATOM 0 H LYS A 63 2.072 -6.576 6.779 1.00 0.24 H new ATOM 0 HA LYS A 63 1.573 -5.232 9.234 1.00 0.28 H new ATOM 0 HB2 LYS A 63 1.440 -7.716 8.779 1.00 0.33 H new ATOM 0 HB3 LYS A 63 3.191 -7.770 8.715 1.00 0.33 H new ATOM 0 HG2 LYS A 63 3.312 -6.869 11.051 1.00 0.47 H new ATOM 0 HG3 LYS A 63 1.563 -6.789 11.117 1.00 0.47 H new ATOM 0 HD2 LYS A 63 3.114 -9.375 10.584 1.00 0.58 H new ATOM 0 HD3 LYS A 63 2.570 -8.888 12.177 1.00 0.58 H new ATOM 0 HE2 LYS A 63 0.188 -8.658 10.982 1.00 1.60 H new ATOM 0 HE3 LYS A 63 0.899 -9.717 9.780 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 -0.199 -10.986 11.526 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 1.470 -11.294 11.546 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 0.782 -10.268 12.711 1.00 2.36 H new ATOM 1020 N ILE A 64 4.735 -5.329 8.336 1.00 0.25 N ATOM 1021 CA ILE A 64 6.056 -4.727 8.670 1.00 0.25 C ATOM 1022 C ILE A 64 5.951 -3.202 8.550 1.00 0.22 C ATOM 1023 O ILE A 64 6.372 -2.469 9.424 1.00 0.22 O ATOM 1024 CB ILE A 64 7.117 -5.271 7.698 1.00 0.28 C ATOM 1025 CG1 ILE A 64 7.489 -6.704 8.101 1.00 0.33 C ATOM 1026 CG2 ILE A 64 8.374 -4.391 7.735 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.225 -7.390 6.948 1.00 0.35 C ATOM 0 H ILE A 64 4.712 -5.876 7.475 1.00 0.25 H new ATOM 0 HA ILE A 64 6.346 -4.985 9.689 1.00 0.25 H new ATOM 0 HB ILE A 64 6.708 -5.263 6.688 1.00 0.28 H new ATOM 0 HG12 ILE A 64 8.119 -6.690 8.990 1.00 0.33 H new ATOM 0 HG13 ILE A 64 6.590 -7.265 8.356 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.116 -4.788 7.042 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.114 -3.373 7.445 1.00 0.32 H new ATOM 0 HG23 ILE A 64 8.785 -4.386 8.744 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.488 -8.407 7.238 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.580 -7.418 6.070 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.133 -6.834 6.714 1.00 0.35 H new ATOM 1039 N LEU A 65 5.392 -2.722 7.475 1.00 0.20 N ATOM 1040 CA LEU A 65 5.256 -1.249 7.293 1.00 0.19 C ATOM 1041 C LEU A 65 4.458 -0.655 8.455 1.00 0.19 C ATOM 1042 O LEU A 65 4.651 0.485 8.828 1.00 0.20 O ATOM 1043 CB LEU A 65 4.526 -0.949 5.981 1.00 0.22 C ATOM 1044 CG LEU A 65 5.413 -1.310 4.779 1.00 0.29 C ATOM 1045 CD1 LEU A 65 4.560 -1.283 3.506 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.576 -0.306 4.639 1.00 0.42 C ATOM 0 H LEU A 65 5.022 -3.288 6.711 1.00 0.20 H new ATOM 0 HA LEU A 65 6.251 -0.806 7.266 1.00 0.19 H new ATOM 0 HB2 LEU A 65 3.596 -1.515 5.937 1.00 0.22 H new ATOM 0 HB3 LEU A 65 4.259 0.107 5.940 1.00 0.22 H new ATOM 0 HG LEU A 65 5.831 -2.305 4.932 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.180 -1.538 2.647 1.00 0.69 H new ATOM 0 HD12 LEU A 65 3.750 -2.006 3.596 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.143 -0.285 3.369 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.192 -0.580 3.782 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.175 0.697 4.492 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.184 -0.325 5.544 1.00 0.42 H new ATOM 1058 N THR A 66 3.572 -1.414 9.044 1.00 0.21 N ATOM 1059 CA THR A 66 2.780 -0.889 10.188 1.00 0.25 C ATOM 1060 C THR A 66 3.605 -0.991 11.469 1.00 0.28 C ATOM 1061 O THR A 66 3.447 -0.209 12.386 1.00 0.31 O ATOM 1062 CB THR A 66 1.507 -1.720 10.340 1.00 0.29 C ATOM 1063 OG1 THR A 66 0.879 -1.855 9.074 1.00 0.43 O ATOM 1064 CG2 THR A 66 0.562 -1.020 11.309 1.00 0.36 C ATOM 0 H THR A 66 3.364 -2.377 8.779 1.00 0.21 H new ATOM 0 HA THR A 66 2.521 0.154 10.005 1.00 0.25 H new ATOM 0 HB THR A 66 1.756 -2.708 10.727 1.00 0.29 H new ATOM 0 HG1 THR A 66 1.382 -2.493 8.526 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.348 -1.610 11.420 1.00 0.36 H new ATOM 0 HG22 THR A 66 1.048 -0.916 12.279 1.00 0.36 H new ATOM 0 HG23 THR A 66 0.309 -0.033 10.922 1.00 0.36 H new ATOM 1072 N ASP A 67 4.508 -1.932 11.529 1.00 0.29 N ATOM 1073 CA ASP A 67 5.360 -2.055 12.740 1.00 0.34 C ATOM 1074 C ASP A 67 6.388 -0.931 12.687 1.00 0.32 C ATOM 1075 O ASP A 67 6.607 -0.220 13.649 1.00 0.35 O ATOM 1076 CB ASP A 67 6.071 -3.411 12.743 1.00 0.40 C ATOM 1077 CG ASP A 67 5.035 -4.535 12.804 1.00 1.30 C ATOM 1078 OD1 ASP A 67 4.105 -4.416 13.585 1.00 1.94 O ATOM 1079 OD2 ASP A 67 5.189 -5.497 12.069 1.00 2.12 O ATOM 0 H ASP A 67 4.690 -2.616 10.795 1.00 0.29 H new ATOM 0 HA ASP A 67 4.756 -1.985 13.645 1.00 0.34 H new ATOM 0 HB2 ASP A 67 6.682 -3.514 11.846 1.00 0.40 H new ATOM 0 HB3 ASP A 67 6.745 -3.477 13.597 1.00 0.40 H new ATOM 1084 N ILE A 68 7.004 -0.754 11.551 1.00 0.30 N ATOM 1085 CA ILE A 68 8.005 0.333 11.392 1.00 0.29 C ATOM 1086 C ILE A 68 7.303 1.678 11.595 1.00 0.27 C ATOM 1087 O ILE A 68 7.859 2.610 12.131 1.00 0.31 O ATOM 1088 CB ILE A 68 8.580 0.260 9.971 1.00 0.30 C ATOM 1089 CG1 ILE A 68 9.259 -1.099 9.772 1.00 0.34 C ATOM 1090 CG2 ILE A 68 9.605 1.377 9.760 1.00 0.33 C ATOM 1091 CD1 ILE A 68 9.562 -1.313 8.288 1.00 0.35 C ATOM 0 H ILE A 68 6.853 -1.323 10.718 1.00 0.30 H new ATOM 0 HA ILE A 68 8.809 0.227 12.120 1.00 0.29 H new ATOM 0 HB ILE A 68 7.771 0.380 9.250 1.00 0.30 H new ATOM 0 HG12 ILE A 68 10.181 -1.144 10.351 1.00 0.34 H new ATOM 0 HG13 ILE A 68 8.613 -1.896 10.140 1.00 0.34 H new ATOM 0 HG21 ILE A 68 10.007 1.316 8.749 1.00 0.33 H new ATOM 0 HG22 ILE A 68 9.123 2.344 9.901 1.00 0.33 H new ATOM 0 HG23 ILE A 68 10.416 1.267 10.480 1.00 0.33 H new ATOM 0 HD11 ILE A 68 10.045 -2.281 8.151 1.00 0.35 H new ATOM 0 HD12 ILE A 68 8.632 -1.288 7.719 1.00 0.35 H new ATOM 0 HD13 ILE A 68 10.225 -0.523 7.934 1.00 0.35 H new ATOM 1103 N TYR A 69 6.068 1.765 11.192 1.00 0.26 N ATOM 1104 CA TYR A 69 5.317 3.037 11.376 1.00 0.26 C ATOM 1105 C TYR A 69 5.188 3.341 12.874 1.00 0.28 C ATOM 1106 O TYR A 69 5.362 4.461 13.310 1.00 0.34 O ATOM 1107 CB TYR A 69 3.920 2.904 10.763 1.00 0.29 C ATOM 1108 CG TYR A 69 3.124 4.161 11.040 1.00 0.27 C ATOM 1109 CD1 TYR A 69 2.502 4.336 12.283 1.00 1.22 C ATOM 1110 CD2 TYR A 69 3.008 5.152 10.056 1.00 1.25 C ATOM 1111 CE1 TYR A 69 1.767 5.499 12.543 1.00 1.23 C ATOM 1112 CE2 TYR A 69 2.273 6.316 10.317 1.00 1.28 C ATOM 1113 CZ TYR A 69 1.653 6.489 11.560 1.00 0.38 C ATOM 1114 OH TYR A 69 0.930 7.636 11.817 1.00 0.47 O ATOM 0 H TYR A 69 5.546 1.012 10.744 1.00 0.26 H new ATOM 0 HA TYR A 69 5.853 3.847 10.882 1.00 0.26 H new ATOM 0 HB2 TYR A 69 3.997 2.739 9.688 1.00 0.29 H new ATOM 0 HB3 TYR A 69 3.409 2.037 11.182 1.00 0.29 H new ATOM 0 HD1 TYR A 69 2.590 3.573 13.042 1.00 1.22 H new ATOM 0 HD2 TYR A 69 3.485 5.019 9.096 1.00 1.25 H new ATOM 0 HE1 TYR A 69 1.288 5.632 13.502 1.00 1.23 H new ATOM 0 HE2 TYR A 69 2.185 7.080 9.559 1.00 1.28 H new ATOM 0 HH TYR A 69 0.952 8.220 11.030 1.00 0.47 H new ATOM 1124 N LYS A 70 4.858 2.349 13.657 1.00 0.31 N ATOM 1125 CA LYS A 70 4.681 2.563 15.125 1.00 0.38 C ATOM 1126 C LYS A 70 6.019 2.698 15.855 1.00 0.38 C ATOM 1127 O LYS A 70 6.115 3.394 16.846 1.00 0.45 O ATOM 1128 CB LYS A 70 3.947 1.367 15.722 1.00 0.50 C ATOM 1129 CG LYS A 70 2.551 1.245 15.109 1.00 0.79 C ATOM 1130 CD LYS A 70 1.997 -0.158 15.387 1.00 0.88 C ATOM 1131 CE LYS A 70 0.478 -0.164 15.210 1.00 1.50 C ATOM 1132 NZ LYS A 70 0.110 0.632 14.005 1.00 2.26 N ATOM 0 H LYS A 70 4.702 1.392 13.341 1.00 0.31 H new ATOM 0 HA LYS A 70 4.117 3.488 15.251 1.00 0.38 H new ATOM 0 HB2 LYS A 70 4.514 0.454 15.538 1.00 0.50 H new ATOM 0 HB3 LYS A 70 3.869 1.482 16.803 1.00 0.50 H new ATOM 0 HG2 LYS A 70 1.888 2.001 15.531 1.00 0.79 H new ATOM 0 HG3 LYS A 70 2.596 1.425 14.035 1.00 0.79 H new ATOM 0 HD2 LYS A 70 2.453 -0.879 14.709 1.00 0.88 H new ATOM 0 HD3 LYS A 70 2.255 -0.466 16.400 1.00 0.88 H new ATOM 0 HE2 LYS A 70 0.118 -1.188 15.105 1.00 1.50 H new ATOM 0 HE3 LYS A 70 -0.003 0.254 16.095 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 -0.681 0.170 13.512 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 -0.175 1.589 14.295 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 0.928 0.693 13.366 1.00 2.26 H new ATOM 1146 N GLU A 71 7.052 2.042 15.396 1.00 0.40 N ATOM 1147 CA GLU A 71 8.368 2.143 16.099 1.00 0.52 C ATOM 1148 C GLU A 71 9.208 3.241 15.457 1.00 0.55 C ATOM 1149 O GLU A 71 10.022 3.870 16.103 1.00 1.13 O ATOM 1150 CB GLU A 71 9.110 0.806 15.987 1.00 0.63 C ATOM 1151 CG GLU A 71 10.340 0.827 16.899 1.00 0.99 C ATOM 1152 CD GLU A 71 11.072 -0.513 16.803 1.00 1.55 C ATOM 1153 OE1 GLU A 71 10.727 -1.409 17.556 1.00 2.27 O ATOM 1154 OE2 GLU A 71 11.965 -0.620 15.979 1.00 2.13 O ATOM 0 H GLU A 71 7.044 1.444 14.570 1.00 0.40 H new ATOM 0 HA GLU A 71 8.199 2.382 17.149 1.00 0.52 H new ATOM 0 HB2 GLU A 71 8.449 -0.014 16.269 1.00 0.63 H new ATOM 0 HB3 GLU A 71 9.412 0.631 14.955 1.00 0.63 H new ATOM 0 HG2 GLU A 71 11.007 1.639 16.609 1.00 0.99 H new ATOM 0 HG3 GLU A 71 10.038 1.015 17.929 1.00 0.99 H new ATOM 1161 N ALA A 72 9.024 3.475 14.186 1.00 0.59 N ATOM 1162 CA ALA A 72 9.822 4.532 13.504 1.00 0.57 C ATOM 1163 C ALA A 72 9.148 5.888 13.672 1.00 0.65 C ATOM 1164 O ALA A 72 8.194 6.048 14.407 1.00 1.23 O ATOM 1165 CB ALA A 72 9.937 4.221 12.008 1.00 0.60 C ATOM 0 H ALA A 72 8.358 2.981 13.592 1.00 0.59 H new ATOM 0 HA ALA A 72 10.815 4.557 13.953 1.00 0.57 H new ATOM 0 HB1 ALA A 72 10.522 5.000 11.518 1.00 0.60 H new ATOM 0 HB2 ALA A 72 10.430 3.258 11.873 1.00 0.60 H new ATOM 0 HB3 ALA A 72 8.941 4.184 11.566 1.00 0.60 H new ATOM 1171 N GLU A 73 9.662 6.863 12.986 1.00 0.71 N ATOM 1172 CA GLU A 73 9.094 8.242 13.073 1.00 0.77 C ATOM 1173 C GLU A 73 9.355 8.978 11.754 1.00 0.65 C ATOM 1174 O GLU A 73 8.643 8.774 10.793 1.00 1.06 O ATOM 1175 CB GLU A 73 9.758 8.977 14.240 1.00 1.08 C ATOM 1176 CG GLU A 73 9.098 10.343 14.438 1.00 1.79 C ATOM 1177 CD GLU A 73 9.482 10.900 15.810 1.00 2.15 C ATOM 1178 OE1 GLU A 73 10.535 11.508 15.908 1.00 2.62 O ATOM 1179 OE2 GLU A 73 8.717 10.706 16.741 1.00 2.60 O ATOM 0 H GLU A 73 10.461 6.768 12.359 1.00 0.71 H new ATOM 0 HA GLU A 73 8.018 8.201 13.244 1.00 0.77 H new ATOM 0 HB2 GLU A 73 9.670 8.385 15.151 1.00 1.08 H new ATOM 0 HB3 GLU A 73 10.823 9.103 14.043 1.00 1.08 H new ATOM 0 HG2 GLU A 73 9.415 11.029 13.653 1.00 1.79 H new ATOM 0 HG3 GLU A 73 8.015 10.250 14.361 1.00 1.79 H new ATOM 1186 N SER A 74 10.359 9.835 11.699 1.00 0.75 N ATOM 1187 CA SER A 74 10.668 10.586 10.435 1.00 0.62 C ATOM 1188 C SER A 74 10.320 9.747 9.193 1.00 0.55 C ATOM 1189 O SER A 74 9.891 10.270 8.184 1.00 0.63 O ATOM 1190 CB SER A 74 12.159 10.924 10.411 1.00 0.82 C ATOM 1191 OG SER A 74 12.497 11.474 9.145 1.00 1.55 O ATOM 0 H SER A 74 10.979 10.045 12.482 1.00 0.75 H new ATOM 0 HA SER A 74 10.068 11.496 10.415 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.395 11.634 11.203 1.00 0.82 H new ATOM 0 HB3 SER A 74 12.750 10.028 10.600 1.00 0.82 H new ATOM 0 HG SER A 74 13.452 11.693 9.128 1.00 1.55 H new ATOM 1197 N ARG A 75 10.483 8.451 9.266 1.00 0.48 N ATOM 1198 CA ARG A 75 10.142 7.586 8.097 1.00 0.45 C ATOM 1199 C ARG A 75 8.620 7.400 8.046 1.00 0.42 C ATOM 1200 O ARG A 75 8.122 6.401 7.566 1.00 0.50 O ATOM 1201 CB ARG A 75 10.829 6.215 8.249 1.00 0.52 C ATOM 1202 CG ARG A 75 12.271 6.288 7.731 1.00 0.81 C ATOM 1203 CD ARG A 75 13.094 7.217 8.624 1.00 1.10 C ATOM 1204 NE ARG A 75 14.533 7.104 8.256 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.389 7.989 8.688 1.00 2.08 C ATOM 1206 NH1 ARG A 75 14.986 8.964 9.456 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.647 7.897 8.354 1.00 2.72 N ATOM 0 H ARG A 75 10.837 7.955 10.084 1.00 0.48 H new ATOM 0 HA ARG A 75 10.487 8.055 7.176 1.00 0.45 H new ATOM 0 HB2 ARG A 75 10.825 5.912 9.296 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.273 5.458 7.696 1.00 0.52 H new ATOM 0 HG2 ARG A 75 12.714 5.292 7.720 1.00 0.81 H new ATOM 0 HG3 ARG A 75 12.280 6.653 6.704 1.00 0.81 H new ATOM 0 HD2 ARG A 75 12.756 8.247 8.507 1.00 1.10 H new ATOM 0 HD3 ARG A 75 12.953 6.953 9.672 1.00 1.10 H new ATOM 0 HE ARG A 75 14.849 6.334 7.666 1.00 1.49 H new ATOM 0 HH11 ARG A 75 14.003 9.034 9.718 1.00 2.63 H new ATOM 0 HH12 ARG A 75 15.654 9.656 9.794 1.00 2.63 H new ATOM 0 HH21 ARG A 75 16.961 7.133 7.755 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.316 8.589 8.692 1.00 2.72 H new ATOM 1221 N ARG A 76 7.878 8.362 8.527 1.00 0.41 N ATOM 1222 CA ARG A 76 6.391 8.247 8.496 1.00 0.47 C ATOM 1223 C ARG A 76 5.882 8.527 7.078 1.00 0.43 C ATOM 1224 O ARG A 76 5.035 7.826 6.560 1.00 0.45 O ATOM 1225 CB ARG A 76 5.783 9.264 9.473 1.00 0.57 C ATOM 1226 CG ARG A 76 4.360 8.840 9.841 1.00 1.08 C ATOM 1227 CD ARG A 76 3.703 9.935 10.682 1.00 1.14 C ATOM 1228 NE ARG A 76 4.483 10.121 11.937 1.00 1.76 N ATOM 1229 CZ ARG A 76 4.286 11.175 12.679 1.00 2.01 C ATOM 1230 NH1 ARG A 76 3.395 12.062 12.330 1.00 1.55 N ATOM 1231 NH2 ARG A 76 4.979 11.341 13.773 1.00 3.05 N ATOM 0 H ARG A 76 8.238 9.222 8.940 1.00 0.41 H new ATOM 0 HA ARG A 76 6.097 7.239 8.789 1.00 0.47 H new ATOM 0 HB2 ARG A 76 6.396 9.331 10.371 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.772 10.255 9.020 1.00 0.57 H new ATOM 0 HG2 ARG A 76 3.777 8.662 8.937 1.00 1.08 H new ATOM 0 HG3 ARG A 76 4.381 7.903 10.397 1.00 1.08 H new ATOM 0 HD2 ARG A 76 3.666 10.869 10.121 1.00 1.14 H new ATOM 0 HD3 ARG A 76 2.674 9.663 10.916 1.00 1.14 H new ATOM 0 HE ARG A 76 5.172 9.423 12.216 1.00 1.76 H new ATOM 0 HH11 ARG A 76 2.852 11.931 11.476 1.00 1.55 H new ATOM 0 HH12 ARG A 76 3.241 12.886 12.911 1.00 1.55 H new ATOM 0 HH21 ARG A 76 5.674 10.646 14.047 1.00 3.05 H new ATOM 0 HH22 ARG A 76 4.825 12.165 14.354 1.00 3.05 H new ATOM 1245 N ARG A 77 6.390 9.554 6.453 1.00 0.40 N ATOM 1246 CA ARG A 77 5.936 9.892 5.074 1.00 0.43 C ATOM 1247 C ARG A 77 6.149 8.688 4.156 1.00 0.39 C ATOM 1248 O ARG A 77 5.275 8.308 3.402 1.00 0.39 O ATOM 1249 CB ARG A 77 6.735 11.092 4.542 1.00 0.48 C ATOM 1250 CG ARG A 77 6.487 12.345 5.424 1.00 1.10 C ATOM 1251 CD ARG A 77 7.673 12.577 6.371 1.00 1.24 C ATOM 1252 NE ARG A 77 8.894 12.875 5.571 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.946 13.385 6.151 1.00 2.30 C ATOM 1254 NH1 ARG A 77 9.931 13.626 7.434 1.00 2.43 N ATOM 1255 NH2 ARG A 77 11.013 13.652 5.449 1.00 3.22 N ATOM 0 H ARG A 77 7.101 10.175 6.839 1.00 0.40 H new ATOM 0 HA ARG A 77 4.877 10.148 5.098 1.00 0.43 H new ATOM 0 HB2 ARG A 77 7.798 10.852 4.531 1.00 0.48 H new ATOM 0 HB3 ARG A 77 6.445 11.302 3.512 1.00 0.48 H new ATOM 0 HG2 ARG A 77 6.343 13.220 4.791 1.00 1.10 H new ATOM 0 HG3 ARG A 77 5.572 12.215 6.002 1.00 1.10 H new ATOM 0 HD2 ARG A 77 7.457 13.404 7.047 1.00 1.24 H new ATOM 0 HD3 ARG A 77 7.837 11.695 6.990 1.00 1.24 H new ATOM 0 HE ARG A 77 8.908 12.680 4.570 1.00 1.80 H new ATOM 0 HH11 ARG A 77 9.097 13.416 7.983 1.00 2.43 H new ATOM 0 HH12 ARG A 77 10.753 14.025 7.888 1.00 2.43 H new ATOM 0 HH21 ARG A 77 11.025 13.462 4.447 1.00 3.22 H new ATOM 0 HH22 ARG A 77 11.835 14.051 5.902 1.00 3.22 H new ATOM 1269 N GLU A 78 7.304 8.085 4.211 1.00 0.36 N ATOM 1270 CA GLU A 78 7.572 6.907 3.339 1.00 0.36 C ATOM 1271 C GLU A 78 6.592 5.781 3.684 1.00 0.30 C ATOM 1272 O GLU A 78 6.165 5.033 2.827 1.00 0.32 O ATOM 1273 CB GLU A 78 9.007 6.423 3.570 1.00 0.40 C ATOM 1274 CG GLU A 78 9.990 7.399 2.919 1.00 0.91 C ATOM 1275 CD GLU A 78 9.814 8.789 3.534 1.00 1.56 C ATOM 1276 OE1 GLU A 78 10.357 9.016 4.603 1.00 2.13 O ATOM 1277 OE2 GLU A 78 9.139 9.603 2.926 1.00 2.33 O ATOM 0 H GLU A 78 8.074 8.357 4.822 1.00 0.36 H new ATOM 0 HA GLU A 78 7.445 7.190 2.294 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.208 6.347 4.639 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.137 5.426 3.150 1.00 0.40 H new ATOM 0 HG2 GLU A 78 11.013 7.052 3.065 1.00 0.91 H new ATOM 0 HG3 GLU A 78 9.818 7.441 1.843 1.00 0.91 H new ATOM 1284 N CYS A 79 6.241 5.649 4.934 1.00 0.27 N ATOM 1285 CA CYS A 79 5.299 4.566 5.336 1.00 0.25 C ATOM 1286 C CYS A 79 3.891 4.870 4.815 1.00 0.23 C ATOM 1287 O CYS A 79 3.251 4.032 4.211 1.00 0.24 O ATOM 1288 CB CYS A 79 5.264 4.464 6.862 1.00 0.29 C ATOM 1289 SG CYS A 79 6.865 3.872 7.464 1.00 1.19 S ATOM 0 H CYS A 79 6.566 6.245 5.695 1.00 0.27 H new ATOM 0 HA CYS A 79 5.640 3.622 4.910 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.037 5.437 7.297 1.00 0.29 H new ATOM 0 HB3 CYS A 79 4.472 3.783 7.174 1.00 0.29 H new ATOM 0 HG CYS A 79 7.759 4.802 7.305 1.00 1.19 H new ATOM 1295 N LEU A 80 3.398 6.055 5.050 1.00 0.23 N ATOM 1296 CA LEU A 80 2.026 6.397 4.573 1.00 0.23 C ATOM 1297 C LEU A 80 1.922 6.135 3.068 1.00 0.21 C ATOM 1298 O LEU A 80 0.931 5.625 2.586 1.00 0.21 O ATOM 1299 CB LEU A 80 1.738 7.876 4.856 1.00 0.26 C ATOM 1300 CG LEU A 80 1.781 8.141 6.369 1.00 0.27 C ATOM 1301 CD1 LEU A 80 1.850 9.651 6.617 1.00 0.34 C ATOM 1302 CD2 LEU A 80 0.524 7.571 7.049 1.00 0.42 C ATOM 0 H LEU A 80 3.883 6.800 5.550 1.00 0.23 H new ATOM 0 HA LEU A 80 1.298 5.778 5.098 1.00 0.23 H new ATOM 0 HB2 LEU A 80 2.472 8.501 4.348 1.00 0.26 H new ATOM 0 HB3 LEU A 80 0.760 8.147 4.459 1.00 0.26 H new ATOM 0 HG LEU A 80 2.661 7.654 6.788 1.00 0.27 H new ATOM 0 HD11 LEU A 80 1.881 9.843 7.690 1.00 0.34 H new ATOM 0 HD12 LEU A 80 2.748 10.056 6.150 1.00 0.34 H new ATOM 0 HD13 LEU A 80 0.970 10.131 6.188 1.00 0.34 H new ATOM 0 HD21 LEU A 80 0.569 7.767 8.120 1.00 0.42 H new ATOM 0 HD22 LEU A 80 -0.363 8.046 6.631 1.00 0.42 H new ATOM 0 HD23 LEU A 80 0.474 6.496 6.878 1.00 0.42 H new ATOM 1314 N TYR A 81 2.933 6.482 2.322 1.00 0.22 N ATOM 1315 CA TYR A 81 2.884 6.254 0.849 1.00 0.23 C ATOM 1316 C TYR A 81 2.976 4.753 0.553 1.00 0.22 C ATOM 1317 O TYR A 81 2.194 4.211 -0.202 1.00 0.22 O ATOM 1318 CB TYR A 81 4.058 6.981 0.188 1.00 0.26 C ATOM 1319 CG TYR A 81 3.873 6.987 -1.313 1.00 0.30 C ATOM 1320 CD1 TYR A 81 2.893 7.803 -1.891 1.00 1.26 C ATOM 1321 CD2 TYR A 81 4.681 6.181 -2.126 1.00 1.05 C ATOM 1322 CE1 TYR A 81 2.721 7.813 -3.281 1.00 1.31 C ATOM 1323 CE2 TYR A 81 4.508 6.191 -3.516 1.00 1.04 C ATOM 1324 CZ TYR A 81 3.528 7.007 -4.093 1.00 0.46 C ATOM 1325 OH TYR A 81 3.358 7.017 -5.462 1.00 0.55 O ATOM 0 H TYR A 81 3.791 6.913 2.667 1.00 0.22 H new ATOM 0 HA TYR A 81 1.944 6.638 0.452 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.121 8.003 0.560 1.00 0.26 H new ATOM 0 HB3 TYR A 81 4.995 6.489 0.447 1.00 0.26 H new ATOM 0 HD1 TYR A 81 2.270 8.425 -1.265 1.00 1.26 H new ATOM 0 HD2 TYR A 81 5.437 5.552 -1.681 1.00 1.05 H new ATOM 0 HE1 TYR A 81 1.965 8.443 -3.727 1.00 1.31 H new ATOM 0 HE2 TYR A 81 5.131 5.569 -4.142 1.00 1.04 H new ATOM 0 HH TYR A 81 3.999 6.402 -5.876 1.00 0.55 H new ATOM 1335 N TYR A 82 3.931 4.080 1.136 1.00 0.23 N ATOM 1336 CA TYR A 82 4.083 2.615 0.883 1.00 0.23 C ATOM 1337 C TYR A 82 2.856 1.850 1.402 1.00 0.22 C ATOM 1338 O TYR A 82 2.444 0.868 0.818 1.00 0.24 O ATOM 1339 CB TYR A 82 5.347 2.104 1.601 1.00 0.25 C ATOM 1340 CG TYR A 82 6.568 2.314 0.727 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.877 3.595 0.254 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.390 1.227 0.390 1.00 1.13 C ATOM 1343 CE1 TYR A 82 8.005 3.791 -0.552 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.516 1.425 -0.416 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.824 2.706 -0.887 1.00 0.31 C ATOM 1346 OH TYR A 82 9.935 2.900 -1.682 1.00 0.36 O ATOM 0 H TYR A 82 4.615 4.481 1.778 1.00 0.23 H new ATOM 0 HA TYR A 82 4.171 2.449 -0.191 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.474 2.630 2.547 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.237 1.045 1.836 1.00 0.25 H new ATOM 0 HD1 TYR A 82 6.245 4.432 0.511 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.153 0.238 0.753 1.00 1.13 H new ATOM 0 HE1 TYR A 82 8.243 4.780 -0.915 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.148 0.588 -0.675 1.00 1.12 H new ATOM 0 HH TYR A 82 10.394 2.045 -1.818 1.00 0.36 H new ATOM 1356 N LEU A 83 2.262 2.283 2.481 1.00 0.21 N ATOM 1357 CA LEU A 83 1.067 1.559 3.000 1.00 0.20 C ATOM 1358 C LEU A 83 -0.069 1.703 1.997 1.00 0.20 C ATOM 1359 O LEU A 83 -0.848 0.793 1.799 1.00 0.25 O ATOM 1360 CB LEU A 83 0.646 2.152 4.353 1.00 0.20 C ATOM 1361 CG LEU A 83 1.596 1.664 5.467 1.00 0.22 C ATOM 1362 CD1 LEU A 83 1.567 2.652 6.637 1.00 0.24 C ATOM 1363 CD2 LEU A 83 1.158 0.282 5.978 1.00 0.25 C ATOM 0 H LEU A 83 2.549 3.099 3.021 1.00 0.21 H new ATOM 0 HA LEU A 83 1.306 0.504 3.138 1.00 0.20 H new ATOM 0 HB2 LEU A 83 0.662 3.241 4.302 1.00 0.20 H new ATOM 0 HB3 LEU A 83 -0.378 1.859 4.584 1.00 0.20 H new ATOM 0 HG LEU A 83 2.604 1.596 5.057 1.00 0.22 H new ATOM 0 HD11 LEU A 83 2.239 2.305 7.423 1.00 0.24 H new ATOM 0 HD12 LEU A 83 1.889 3.634 6.292 1.00 0.24 H new ATOM 0 HD13 LEU A 83 0.553 2.720 7.031 1.00 0.24 H new ATOM 0 HD21 LEU A 83 1.838 -0.048 6.763 1.00 0.25 H new ATOM 0 HD22 LEU A 83 0.146 0.346 6.378 1.00 0.25 H new ATOM 0 HD23 LEU A 83 1.179 -0.433 5.156 1.00 0.25 H new ATOM 1375 N THR A 84 -0.170 2.828 1.345 1.00 0.19 N ATOM 1376 CA THR A 84 -1.253 3.014 0.344 1.00 0.19 C ATOM 1377 C THR A 84 -1.046 2.028 -0.807 1.00 0.22 C ATOM 1378 O THR A 84 -1.983 1.452 -1.322 1.00 0.24 O ATOM 1379 CB THR A 84 -1.178 4.450 -0.187 1.00 0.20 C ATOM 1380 OG1 THR A 84 -1.128 5.352 0.910 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.405 4.758 -1.045 1.00 0.18 C ATOM 0 H THR A 84 0.453 3.627 1.464 1.00 0.19 H new ATOM 0 HA THR A 84 -2.228 2.836 0.798 1.00 0.19 H new ATOM 0 HB THR A 84 -0.282 4.560 -0.798 1.00 0.20 H new ATOM 0 HG1 THR A 84 -0.203 5.438 1.221 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.341 5.781 -1.417 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.443 4.067 -1.887 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.307 4.646 -0.443 1.00 0.18 H new ATOM 1389 N ILE A 85 0.179 1.839 -1.218 1.00 0.23 N ATOM 1390 CA ILE A 85 0.456 0.899 -2.340 1.00 0.27 C ATOM 1391 C ILE A 85 0.297 -0.547 -1.863 1.00 0.29 C ATOM 1392 O ILE A 85 -0.423 -1.332 -2.452 1.00 0.31 O ATOM 1393 CB ILE A 85 1.888 1.110 -2.839 1.00 0.29 C ATOM 1394 CG1 ILE A 85 2.016 2.529 -3.409 1.00 0.31 C ATOM 1395 CG2 ILE A 85 2.206 0.071 -3.924 1.00 0.32 C ATOM 1396 CD1 ILE A 85 3.475 2.815 -3.773 1.00 0.61 C ATOM 0 H ILE A 85 1.001 2.296 -0.824 1.00 0.23 H new ATOM 0 HA ILE A 85 -0.250 1.091 -3.148 1.00 0.27 H new ATOM 0 HB ILE A 85 2.593 0.989 -2.017 1.00 0.29 H new ATOM 0 HG12 ILE A 85 1.385 2.634 -4.291 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.665 3.257 -2.678 1.00 0.31 H new ATOM 0 HG21 ILE A 85 3.225 0.219 -4.282 1.00 0.32 H new ATOM 0 HG22 ILE A 85 2.109 -0.932 -3.507 1.00 0.32 H new ATOM 0 HG23 ILE A 85 1.510 0.187 -4.755 1.00 0.32 H new ATOM 0 HD11 ILE A 85 3.558 3.824 -4.177 1.00 0.61 H new ATOM 0 HD12 ILE A 85 4.096 2.729 -2.881 1.00 0.61 H new ATOM 0 HD13 ILE A 85 3.811 2.096 -4.520 1.00 0.61 H new ATOM 1408 N GLY A 86 0.960 -0.904 -0.799 1.00 0.30 N ATOM 1409 CA GLY A 86 0.846 -2.296 -0.288 1.00 0.33 C ATOM 1410 C GLY A 86 -0.611 -2.588 0.064 1.00 0.33 C ATOM 1411 O GLY A 86 -1.067 -3.711 -0.019 1.00 0.39 O ATOM 0 H GLY A 86 1.575 -0.292 -0.262 1.00 0.30 H new ATOM 0 HA2 GLY A 86 1.199 -3.002 -1.040 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.477 -2.426 0.591 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.347 -1.585 0.461 1.00 0.29 N ATOM 1416 CA CYS A 87 -2.771 -1.806 0.823 1.00 0.30 C ATOM 1417 C CYS A 87 -3.622 -1.925 -0.447 1.00 0.35 C ATOM 1418 O CYS A 87 -4.575 -2.676 -0.496 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.263 -0.627 1.662 1.00 0.29 C ATOM 1420 SG CYS A 87 -5.048 -0.768 1.921 1.00 1.29 S ATOM 0 H CYS A 87 -1.021 -0.623 0.549 1.00 0.29 H new ATOM 0 HA CYS A 87 -2.860 -2.729 1.396 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -2.746 -0.610 2.622 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -3.032 0.312 1.159 1.00 0.29 H new ATOM 0 HG CYS A 87 -5.520 -1.726 1.179 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.294 -1.181 -1.473 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.095 -1.247 -2.730 1.00 0.40 C ATOM 1428 C TYR A 88 -4.080 -2.673 -3.290 1.00 0.43 C ATOM 1429 O TYR A 88 -5.004 -3.095 -3.957 1.00 0.52 O ATOM 1430 CB TYR A 88 -3.497 -0.293 -3.766 1.00 0.46 C ATOM 1431 CG TYR A 88 -4.411 -0.220 -4.968 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.543 0.602 -4.936 1.00 1.37 C ATOM 1433 CD2 TYR A 88 -4.127 -0.975 -6.114 1.00 1.24 C ATOM 1434 CE1 TYR A 88 -6.391 0.671 -6.048 1.00 1.37 C ATOM 1435 CE2 TYR A 88 -4.975 -0.907 -7.226 1.00 1.28 C ATOM 1436 CZ TYR A 88 -6.107 -0.084 -7.193 1.00 0.59 C ATOM 1437 OH TYR A 88 -6.944 -0.017 -8.289 1.00 0.66 O ATOM 0 H TYR A 88 -2.507 -0.532 -1.493 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.123 -0.959 -2.511 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -3.369 0.699 -3.332 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -2.508 -0.639 -4.068 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -5.763 1.184 -4.053 1.00 1.37 H new ATOM 0 HD2 TYR A 88 -3.254 -1.610 -6.139 1.00 1.24 H new ATOM 0 HE1 TYR A 88 -7.264 1.306 -6.023 1.00 1.37 H new ATOM 0 HE2 TYR A 88 -4.756 -1.489 -8.109 1.00 1.28 H new ATOM 0 HH TYR A 88 -6.602 -0.601 -8.998 1.00 0.66 H new ATOM 1447 N LYS A 89 -3.041 -3.417 -3.027 1.00 0.43 N ATOM 1448 CA LYS A 89 -2.977 -4.812 -3.552 1.00 0.51 C ATOM 1449 C LYS A 89 -3.908 -5.712 -2.733 1.00 0.36 C ATOM 1450 O LYS A 89 -4.369 -6.734 -3.201 1.00 0.37 O ATOM 1451 CB LYS A 89 -1.539 -5.327 -3.465 1.00 0.70 C ATOM 1452 CG LYS A 89 -0.604 -4.366 -4.218 1.00 1.00 C ATOM 1453 CD LYS A 89 0.734 -5.063 -4.538 1.00 1.24 C ATOM 1454 CE LYS A 89 0.638 -5.804 -5.878 1.00 1.56 C ATOM 1455 NZ LYS A 89 0.471 -4.816 -6.982 1.00 2.05 N ATOM 0 H LYS A 89 -2.236 -3.122 -2.474 1.00 0.43 H new ATOM 0 HA LYS A 89 -3.297 -4.824 -4.594 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -1.232 -5.407 -2.422 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -1.473 -6.327 -3.894 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -1.079 -4.034 -5.141 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -0.423 -3.476 -3.615 1.00 1.00 H new ATOM 0 HD2 LYS A 89 1.536 -4.326 -4.578 1.00 1.24 H new ATOM 0 HD3 LYS A 89 0.986 -5.765 -3.743 1.00 1.24 H new ATOM 0 HE2 LYS A 89 1.536 -6.400 -6.041 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -0.205 -6.495 -5.864 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 0.911 -5.186 -7.849 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -0.542 -4.652 -7.151 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 0.927 -3.920 -6.718 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.204 -5.325 -1.519 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.124 -6.137 -0.662 1.00 0.47 C ATOM 1471 C LEU A 90 -6.515 -5.508 -0.717 1.00 0.56 C ATOM 1472 O LEU A 90 -7.347 -5.753 0.132 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.639 -6.117 0.793 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.147 -6.447 0.865 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.692 -6.377 2.326 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -2.901 -7.859 0.318 1.00 0.56 C ATOM 0 H LEU A 90 -3.846 -4.476 -1.081 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.146 -7.165 -1.023 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.822 -5.135 1.230 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.206 -6.838 1.381 1.00 0.55 H new ATOM 0 HG LEU A 90 -2.584 -5.731 0.267 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.629 -6.611 2.388 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.866 -5.373 2.713 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.257 -7.097 2.918 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -1.837 -8.090 0.371 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -3.459 -8.582 0.913 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -3.232 -7.910 -0.719 1.00 0.56 H new ATOM 1488 N GLY A 91 -6.759 -4.672 -1.692 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.072 -3.971 -1.802 1.00 0.91 C ATOM 1490 C GLY A 91 -8.647 -3.599 -0.435 1.00 0.69 C ATOM 1491 O GLY A 91 -9.842 -3.439 -0.285 1.00 0.69 O ATOM 0 H GLY A 91 -6.092 -4.442 -2.429 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -7.950 -3.068 -2.401 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -8.780 -4.610 -2.330 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.817 -3.367 0.540 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.342 -2.897 1.853 1.00 0.42 C ATOM 1497 C GLU A 92 -8.381 -1.372 1.740 1.00 0.34 C ATOM 1498 O GLU A 92 -7.868 -0.655 2.577 1.00 0.39 O ATOM 1499 CB GLU A 92 -7.383 -3.305 2.978 1.00 0.44 C ATOM 1500 CG GLU A 92 -7.584 -4.782 3.321 1.00 0.55 C ATOM 1501 CD GLU A 92 -8.912 -4.959 4.058 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -9.077 -4.342 5.097 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -9.741 -5.709 3.571 1.00 2.06 O ATOM 0 H GLU A 92 -6.805 -3.481 0.488 1.00 0.54 H new ATOM 0 HA GLU A 92 -9.319 -3.323 2.080 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -6.352 -3.131 2.670 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -7.560 -2.690 3.860 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -7.579 -5.382 2.411 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.761 -5.137 3.942 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.917 -0.881 0.648 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.916 0.588 0.396 1.00 0.31 C ATOM 1512 C TYR A 93 -9.332 1.385 1.632 1.00 0.25 C ATOM 1513 O TYR A 93 -9.096 2.576 1.696 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.835 0.952 -0.782 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.834 -0.143 -1.822 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.868 -0.147 -2.837 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -10.813 -1.143 -1.785 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -8.883 -1.150 -3.814 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -10.825 -2.149 -2.760 1.00 1.35 C ATOM 1520 CZ TYR A 93 -9.861 -2.152 -3.775 1.00 0.95 C ATOM 1521 OH TYR A 93 -9.876 -3.141 -4.737 1.00 1.19 O ATOM 0 H TYR A 93 -9.357 -1.442 -0.082 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.889 0.856 0.146 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.850 1.115 -0.420 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.503 1.888 -1.232 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.112 0.624 -2.866 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.559 -1.139 -1.004 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.140 -1.151 -4.598 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -11.578 -2.922 -2.729 1.00 1.35 H new ATOM 0 HH TYR A 93 -10.618 -3.756 -4.562 1.00 1.19 H new ATOM 1531 N SER A 94 -9.913 0.787 2.629 1.00 0.24 N ATOM 1532 CA SER A 94 -10.289 1.587 3.829 1.00 0.28 C ATOM 1533 C SER A 94 -9.022 2.078 4.525 1.00 0.29 C ATOM 1534 O SER A 94 -8.960 3.185 5.024 1.00 0.39 O ATOM 1535 CB SER A 94 -11.090 0.705 4.788 1.00 0.30 C ATOM 1536 OG SER A 94 -11.233 1.370 6.035 1.00 1.12 O ATOM 0 H SER A 94 -10.143 -0.206 2.669 1.00 0.24 H new ATOM 0 HA SER A 94 -10.893 2.443 3.529 1.00 0.28 H new ATOM 0 HB2 SER A 94 -12.071 0.487 4.365 1.00 0.30 H new ATOM 0 HB3 SER A 94 -10.584 -0.250 4.929 1.00 0.30 H new ATOM 0 HG SER A 94 -11.748 0.806 6.649 1.00 1.12 H new ATOM 1542 N MET A 95 -8.009 1.261 4.558 1.00 0.27 N ATOM 1543 CA MET A 95 -6.741 1.670 5.218 1.00 0.36 C ATOM 1544 C MET A 95 -5.983 2.644 4.318 1.00 0.26 C ATOM 1545 O MET A 95 -5.521 3.677 4.760 1.00 0.26 O ATOM 1546 CB MET A 95 -5.882 0.427 5.468 1.00 0.48 C ATOM 1547 CG MET A 95 -6.659 -0.600 6.325 1.00 0.81 C ATOM 1548 SD MET A 95 -5.621 -1.176 7.696 1.00 1.25 S ATOM 1549 CE MET A 95 -5.617 0.359 8.663 1.00 0.83 C ATOM 0 H MET A 95 -8.005 0.324 4.155 1.00 0.27 H new ATOM 0 HA MET A 95 -6.964 2.159 6.166 1.00 0.36 H new ATOM 0 HB2 MET A 95 -5.598 -0.024 4.517 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.960 0.710 5.975 1.00 0.48 H new ATOM 0 HG2 MET A 95 -7.570 -0.146 6.714 1.00 0.81 H new ATOM 0 HG3 MET A 95 -6.963 -1.446 5.708 1.00 0.81 H new ATOM 0 HE1 MET A 95 -4.616 0.791 8.656 1.00 0.83 H new ATOM 0 HE2 MET A 95 -6.321 1.067 8.225 1.00 0.83 H new ATOM 0 HE3 MET A 95 -5.912 0.143 9.690 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.852 2.331 3.060 1.00 0.23 N ATOM 1560 CA ALA A 96 -5.127 3.253 2.146 1.00 0.20 C ATOM 1561 C ALA A 96 -5.768 4.643 2.238 1.00 0.18 C ATOM 1562 O ALA A 96 -5.091 5.652 2.271 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.220 2.725 0.705 1.00 0.23 C ATOM 0 H ALA A 96 -6.214 1.481 2.627 1.00 0.23 H new ATOM 0 HA ALA A 96 -4.077 3.315 2.431 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.689 3.401 0.035 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.771 1.733 0.651 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.267 2.666 0.406 1.00 0.23 H new ATOM 1569 N LYS A 97 -7.074 4.699 2.265 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.771 6.015 2.337 1.00 0.21 C ATOM 1571 C LYS A 97 -7.282 6.819 3.538 1.00 0.21 C ATOM 1572 O LYS A 97 -6.877 7.956 3.405 1.00 0.22 O ATOM 1573 CB LYS A 97 -9.283 5.796 2.464 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.993 7.155 2.537 1.00 0.44 C ATOM 1575 CD LYS A 97 -11.506 6.947 2.594 1.00 0.78 C ATOM 1576 CE LYS A 97 -12.196 8.300 2.788 1.00 1.07 C ATOM 1577 NZ LYS A 97 -13.634 8.085 3.112 1.00 2.10 N ATOM 0 H LYS A 97 -7.689 3.886 2.240 1.00 0.19 H new ATOM 0 HA LYS A 97 -7.551 6.569 1.424 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.652 5.227 1.611 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -9.503 5.211 3.357 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -9.659 7.703 3.418 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -9.732 7.759 1.668 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.855 6.476 1.675 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.762 6.275 3.413 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.711 8.855 3.591 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -12.102 8.901 1.883 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -14.101 9.005 3.244 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -14.093 7.572 2.332 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -13.713 7.528 3.987 1.00 2.10 H new ATOM 1591 N ARG A 98 -7.345 6.279 4.721 1.00 0.22 N ATOM 1592 CA ARG A 98 -6.912 7.063 5.912 1.00 0.25 C ATOM 1593 C ARG A 98 -5.436 7.471 5.809 1.00 0.20 C ATOM 1594 O ARG A 98 -5.065 8.562 6.193 1.00 0.21 O ATOM 1595 CB ARG A 98 -7.119 6.200 7.167 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.251 7.098 8.400 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.078 6.266 9.674 1.00 1.28 C ATOM 1598 NE ARG A 98 -7.064 7.175 10.856 1.00 1.90 N ATOM 1599 CZ ARG A 98 -7.200 6.688 12.059 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -7.337 5.401 12.232 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -7.195 7.488 13.089 1.00 3.20 N ATOM 0 H ARG A 98 -7.675 5.334 4.916 1.00 0.22 H new ATOM 0 HA ARG A 98 -7.507 7.975 5.967 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -8.014 5.588 7.055 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -6.279 5.517 7.292 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -6.501 7.888 8.367 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -8.226 7.585 8.403 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -7.890 5.545 9.765 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.150 5.696 9.627 1.00 1.28 H new ATOM 0 HE ARG A 98 -6.948 8.180 10.724 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -7.338 4.775 11.426 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -7.443 5.021 13.173 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -7.085 8.493 12.954 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -7.301 7.109 14.030 1.00 3.20 H new ATOM 1615 N TYR A 99 -4.584 6.607 5.328 1.00 0.21 N ATOM 1616 CA TYR A 99 -3.138 6.969 5.248 1.00 0.22 C ATOM 1617 C TYR A 99 -2.894 7.981 4.119 1.00 0.19 C ATOM 1618 O TYR A 99 -2.250 8.991 4.317 1.00 0.21 O ATOM 1619 CB TYR A 99 -2.295 5.709 4.998 1.00 0.27 C ATOM 1620 CG TYR A 99 -2.370 4.766 6.192 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -1.992 5.205 7.474 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -2.804 3.441 6.016 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -2.054 4.329 8.564 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -2.862 2.569 7.112 1.00 1.34 C ATOM 1625 CZ TYR A 99 -2.489 3.013 8.383 1.00 0.40 C ATOM 1626 OH TYR A 99 -2.547 2.150 9.459 1.00 0.47 O ATOM 0 H TYR A 99 -4.822 5.675 4.990 1.00 0.21 H new ATOM 0 HA TYR A 99 -2.845 7.422 6.195 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -2.651 5.199 4.103 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -1.258 5.990 4.814 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -1.653 6.220 7.618 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -3.093 3.094 5.035 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -1.765 4.671 9.547 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -3.196 1.551 6.973 1.00 1.34 H new ATOM 0 HH TYR A 99 -2.726 2.659 10.277 1.00 0.47 H new ATOM 1636 N VAL A 100 -3.381 7.718 2.939 1.00 0.18 N ATOM 1637 CA VAL A 100 -3.144 8.672 1.816 1.00 0.19 C ATOM 1638 C VAL A 100 -3.774 10.030 2.156 1.00 0.21 C ATOM 1639 O VAL A 100 -3.249 11.070 1.811 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.736 8.107 0.512 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -5.256 8.285 0.488 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -3.122 8.836 -0.687 1.00 0.20 C ATOM 0 H VAL A 100 -3.929 6.891 2.703 1.00 0.18 H new ATOM 0 HA VAL A 100 -2.072 8.809 1.673 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.506 7.043 0.458 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -5.655 7.879 -0.442 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.698 7.757 1.333 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -5.499 9.345 0.555 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -3.541 8.436 -1.610 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -3.345 9.901 -0.619 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -2.042 8.691 -0.687 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.890 10.028 2.835 1.00 0.23 N ATOM 1653 CA ASP A 101 -5.544 11.318 3.198 1.00 0.27 C ATOM 1654 C ASP A 101 -4.590 12.138 4.075 1.00 0.26 C ATOM 1655 O ASP A 101 -4.320 13.290 3.804 1.00 0.29 O ATOM 1656 CB ASP A 101 -6.844 11.036 3.971 1.00 0.30 C ATOM 1657 CG ASP A 101 -7.994 10.787 2.989 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -8.398 11.732 2.332 1.00 1.60 O ATOM 1659 OD2 ASP A 101 -8.451 9.659 2.914 1.00 1.79 O ATOM 0 H ASP A 101 -5.376 9.190 3.153 1.00 0.23 H new ATOM 0 HA ASP A 101 -5.779 11.878 2.293 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.712 10.168 4.617 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -7.083 11.881 4.617 1.00 0.30 H new ATOM 1664 N THR A 102 -4.076 11.551 5.121 1.00 0.25 N ATOM 1665 CA THR A 102 -3.142 12.302 6.005 1.00 0.26 C ATOM 1666 C THR A 102 -1.958 12.804 5.179 1.00 0.26 C ATOM 1667 O THR A 102 -1.540 13.938 5.300 1.00 0.27 O ATOM 1668 CB THR A 102 -2.631 11.380 7.115 1.00 0.27 C ATOM 1669 OG1 THR A 102 -3.732 10.889 7.865 1.00 0.32 O ATOM 1670 CG2 THR A 102 -1.690 12.159 8.035 1.00 0.29 C ATOM 0 H THR A 102 -4.262 10.588 5.400 1.00 0.25 H new ATOM 0 HA THR A 102 -3.665 13.148 6.450 1.00 0.26 H new ATOM 0 HB THR A 102 -2.091 10.543 6.673 1.00 0.27 H new ATOM 0 HG1 THR A 102 -4.159 10.154 7.377 1.00 0.32 H new ATOM 0 HG21 THR A 102 -1.327 11.502 8.825 1.00 0.29 H new ATOM 0 HG22 THR A 102 -0.845 12.534 7.458 1.00 0.29 H new ATOM 0 HG23 THR A 102 -2.227 12.997 8.479 1.00 0.29 H new ATOM 1678 N LEU A 103 -1.407 11.964 4.347 1.00 0.25 N ATOM 1679 CA LEU A 103 -0.245 12.392 3.523 1.00 0.27 C ATOM 1680 C LEU A 103 -0.699 13.417 2.483 1.00 0.29 C ATOM 1681 O LEU A 103 -0.080 14.450 2.313 1.00 0.31 O ATOM 1682 CB LEU A 103 0.359 11.169 2.816 1.00 0.29 C ATOM 1683 CG LEU A 103 1.646 11.558 2.060 1.00 0.34 C ATOM 1684 CD1 LEU A 103 2.809 11.768 3.042 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.011 10.437 1.081 1.00 0.41 C ATOM 0 H LEU A 103 -1.712 11.001 4.203 1.00 0.25 H new ATOM 0 HA LEU A 103 0.508 12.846 4.167 1.00 0.27 H new ATOM 0 HB2 LEU A 103 0.582 10.393 3.548 1.00 0.29 H new ATOM 0 HB3 LEU A 103 -0.366 10.751 2.118 1.00 0.29 H new ATOM 0 HG LEU A 103 1.469 12.489 1.521 1.00 0.34 H new ATOM 0 HD11 LEU A 103 3.707 12.042 2.489 1.00 0.36 H new ATOM 0 HD12 LEU A 103 2.556 12.566 3.741 1.00 0.36 H new ATOM 0 HD13 LEU A 103 2.990 10.846 3.594 1.00 0.36 H new ATOM 0 HD21 LEU A 103 2.920 10.705 0.543 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.176 9.511 1.633 1.00 0.41 H new ATOM 0 HD23 LEU A 103 1.197 10.296 0.370 1.00 0.41 H new ATOM 1697 N PHE A 104 -1.751 13.143 1.759 1.00 0.29 N ATOM 1698 CA PHE A 104 -2.194 14.111 0.717 1.00 0.32 C ATOM 1699 C PHE A 104 -2.493 15.463 1.373 1.00 0.37 C ATOM 1700 O PHE A 104 -2.351 16.504 0.764 1.00 0.41 O ATOM 1701 CB PHE A 104 -3.442 13.554 0.013 1.00 0.33 C ATOM 1702 CG PHE A 104 -4.141 14.637 -0.780 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -5.011 15.524 -0.135 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -3.928 14.745 -2.159 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -5.667 16.520 -0.868 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -4.584 15.740 -2.893 1.00 1.19 C ATOM 1707 CZ PHE A 104 -5.454 16.627 -2.248 1.00 0.60 C ATOM 0 H PHE A 104 -2.317 12.299 1.843 1.00 0.29 H new ATOM 0 HA PHE A 104 -1.408 14.255 -0.025 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -3.157 12.738 -0.651 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -4.127 13.139 0.752 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -5.176 15.440 0.929 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -3.257 14.060 -2.657 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -6.337 17.205 -0.370 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -4.419 15.823 -3.957 1.00 1.19 H new ATOM 0 HZ PHE A 104 -5.961 17.394 -2.815 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.897 15.454 2.612 1.00 0.42 N ATOM 1718 CA GLU A 105 -3.191 16.738 3.305 1.00 0.52 C ATOM 1719 C GLU A 105 -1.882 17.504 3.512 1.00 0.56 C ATOM 1720 O GLU A 105 -1.809 18.703 3.336 1.00 0.61 O ATOM 1721 CB GLU A 105 -3.815 16.425 4.675 1.00 0.58 C ATOM 1722 CG GLU A 105 -5.299 16.082 4.502 1.00 1.20 C ATOM 1723 CD GLU A 105 -5.838 15.463 5.794 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -5.434 15.909 6.855 1.00 2.31 O ATOM 1725 OE2 GLU A 105 -6.647 14.555 5.699 1.00 2.47 O ATOM 0 H GLU A 105 -3.036 14.614 3.174 1.00 0.42 H new ATOM 0 HA GLU A 105 -3.878 17.339 2.709 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -3.291 15.591 5.142 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -3.705 17.282 5.339 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -5.864 16.981 4.255 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -5.427 15.386 3.673 1.00 1.20 H new ATOM 1838 N GLN A 112 1.884 12.792 -8.058 1.00 0.54 N ATOM 1839 CA GLN A 112 1.891 11.303 -7.944 1.00 0.49 C ATOM 1840 C GLN A 112 0.917 10.860 -6.850 1.00 0.39 C ATOM 1841 O GLN A 112 0.365 9.779 -6.893 1.00 0.37 O ATOM 1842 CB GLN A 112 3.306 10.832 -7.583 1.00 0.54 C ATOM 1843 CG GLN A 112 4.213 10.924 -8.812 1.00 1.05 C ATOM 1844 CD GLN A 112 4.255 12.368 -9.315 1.00 1.82 C ATOM 1845 OE1 GLN A 112 4.774 13.241 -8.648 1.00 2.54 O ATOM 1846 NE2 GLN A 112 3.729 12.658 -10.473 1.00 2.56 N ATOM 0 HA GLN A 112 1.585 10.867 -8.895 1.00 0.49 H new ATOM 0 HB2 GLN A 112 3.708 11.445 -6.776 1.00 0.54 H new ATOM 0 HB3 GLN A 112 3.275 9.805 -7.218 1.00 0.54 H new ATOM 0 HG2 GLN A 112 5.219 10.587 -8.560 1.00 1.05 H new ATOM 0 HG3 GLN A 112 3.844 10.265 -9.598 1.00 1.05 H new ATOM 0 HE21 GLN A 112 3.293 11.925 -11.033 1.00 2.56 H new ATOM 0 HE22 GLN A 112 3.753 13.617 -10.818 1.00 2.56 H new ATOM 1855 N VAL A 113 0.697 11.695 -5.877 1.00 0.37 N ATOM 1856 CA VAL A 113 -0.248 11.339 -4.780 1.00 0.32 C ATOM 1857 C VAL A 113 -1.676 11.534 -5.282 1.00 0.32 C ATOM 1858 O VAL A 113 -2.541 10.705 -5.079 1.00 0.30 O ATOM 1859 CB VAL A 113 -0.002 12.244 -3.569 1.00 0.35 C ATOM 1860 CG1 VAL A 113 -0.727 11.675 -2.348 1.00 0.41 C ATOM 1861 CG2 VAL A 113 1.499 12.319 -3.280 1.00 0.40 C ATOM 0 H VAL A 113 1.132 12.614 -5.792 1.00 0.37 H new ATOM 0 HA VAL A 113 -0.095 10.301 -4.483 1.00 0.32 H new ATOM 0 HB VAL A 113 -0.381 13.243 -3.784 1.00 0.35 H new ATOM 0 HG11 VAL A 113 -0.551 12.320 -1.487 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -1.797 11.624 -2.551 1.00 0.41 H new ATOM 0 HG13 VAL A 113 -0.350 10.675 -2.135 1.00 0.41 H new ATOM 0 HG21 VAL A 113 1.672 12.963 -2.418 1.00 0.40 H new ATOM 0 HG22 VAL A 113 1.879 11.320 -3.068 1.00 0.40 H new ATOM 0 HG23 VAL A 113 2.017 12.727 -4.148 1.00 0.40 H new ATOM 1871 N GLY A 114 -1.922 12.630 -5.945 1.00 0.37 N ATOM 1872 CA GLY A 114 -3.288 12.890 -6.472 1.00 0.40 C ATOM 1873 C GLY A 114 -3.694 11.722 -7.362 1.00 0.38 C ATOM 1874 O GLY A 114 -4.842 11.327 -7.409 1.00 0.38 O ATOM 0 H GLY A 114 -1.234 13.357 -6.144 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -3.995 13.004 -5.651 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -3.304 13.821 -7.038 1.00 0.40 H new ATOM 1878 N ALA A 115 -2.750 11.161 -8.064 1.00 0.38 N ATOM 1879 CA ALA A 115 -3.061 10.009 -8.950 1.00 0.38 C ATOM 1880 C ALA A 115 -3.221 8.751 -8.091 1.00 0.33 C ATOM 1881 O ALA A 115 -4.191 8.024 -8.221 1.00 0.34 O ATOM 1882 CB ALA A 115 -1.929 9.830 -9.963 1.00 0.43 C ATOM 0 H ALA A 115 -1.773 11.453 -8.061 1.00 0.38 H new ATOM 0 HA ALA A 115 -3.989 10.188 -9.493 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -2.154 8.986 -10.615 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -1.831 10.735 -10.563 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -0.994 9.642 -9.435 1.00 0.43 H new ATOM 1888 N LEU A 116 -2.311 8.486 -7.200 1.00 0.31 N ATOM 1889 CA LEU A 116 -2.479 7.278 -6.352 1.00 0.29 C ATOM 1890 C LEU A 116 -3.778 7.431 -5.557 1.00 0.26 C ATOM 1891 O LEU A 116 -4.582 6.523 -5.480 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.289 7.139 -5.397 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.399 5.828 -4.603 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -1.307 4.614 -5.549 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.260 5.772 -3.580 1.00 0.68 C ATOM 0 H LEU A 116 -1.474 9.041 -7.024 1.00 0.31 H new ATOM 0 HA LEU A 116 -2.524 6.384 -6.974 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.356 7.154 -5.961 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -1.261 7.987 -4.712 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.362 5.796 -4.094 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -1.387 3.694 -4.969 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.118 4.657 -6.276 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -0.351 4.632 -6.072 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.328 4.845 -3.010 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.698 5.809 -4.099 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -0.338 6.622 -2.902 1.00 0.68 H new ATOM 1907 N LYS A 117 -3.986 8.575 -4.959 1.00 0.27 N ATOM 1908 CA LYS A 117 -5.231 8.786 -4.166 1.00 0.28 C ATOM 1909 C LYS A 117 -6.449 8.580 -5.072 1.00 0.28 C ATOM 1910 O LYS A 117 -7.505 8.175 -4.630 1.00 0.29 O ATOM 1911 CB LYS A 117 -5.239 10.215 -3.608 1.00 0.33 C ATOM 1912 CG LYS A 117 -6.444 10.411 -2.682 1.00 0.78 C ATOM 1913 CD LYS A 117 -6.512 11.876 -2.231 1.00 0.86 C ATOM 1914 CE LYS A 117 -7.494 12.024 -1.059 1.00 1.44 C ATOM 1915 NZ LYS A 117 -8.034 13.414 -1.039 1.00 2.16 N ATOM 0 H LYS A 117 -3.348 9.370 -4.986 1.00 0.27 H new ATOM 0 HA LYS A 117 -5.269 8.074 -3.341 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -4.315 10.406 -3.061 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -5.279 10.933 -4.427 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -7.363 10.136 -3.200 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.360 9.756 -1.815 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -5.522 12.218 -1.931 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -6.829 12.506 -3.062 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -8.309 11.307 -1.160 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -6.990 11.804 -0.118 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -8.099 13.747 -0.056 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -7.401 14.040 -1.576 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -8.980 13.425 -1.471 1.00 2.16 H new ATOM 1929 N SER A 118 -6.307 8.871 -6.339 1.00 0.29 N ATOM 1930 CA SER A 118 -7.453 8.709 -7.280 1.00 0.31 C ATOM 1931 C SER A 118 -7.818 7.231 -7.416 1.00 0.29 C ATOM 1932 O SER A 118 -8.949 6.891 -7.698 1.00 0.30 O ATOM 1933 CB SER A 118 -7.076 9.268 -8.652 1.00 0.34 C ATOM 1934 OG SER A 118 -8.221 9.251 -9.496 1.00 1.35 O ATOM 0 H SER A 118 -5.445 9.214 -6.763 1.00 0.29 H new ATOM 0 HA SER A 118 -8.311 9.254 -6.887 1.00 0.31 H new ATOM 0 HB2 SER A 118 -6.699 10.286 -8.552 1.00 0.34 H new ATOM 0 HB3 SER A 118 -6.276 8.673 -9.093 1.00 0.34 H new ATOM 0 HG SER A 118 -9.012 9.009 -8.970 1.00 1.35 H new ATOM 1940 N MET A 119 -6.887 6.343 -7.200 1.00 0.26 N ATOM 1941 CA MET A 119 -7.211 4.887 -7.302 1.00 0.25 C ATOM 1942 C MET A 119 -8.045 4.500 -6.079 1.00 0.23 C ATOM 1943 O MET A 119 -9.044 3.813 -6.166 1.00 0.24 O ATOM 1944 CB MET A 119 -5.909 4.068 -7.303 1.00 0.26 C ATOM 1945 CG MET A 119 -4.885 4.691 -8.262 1.00 0.61 C ATOM 1946 SD MET A 119 -5.361 4.332 -9.973 1.00 1.03 S ATOM 1947 CE MET A 119 -4.038 3.154 -10.345 1.00 0.69 C ATOM 0 H MET A 119 -5.920 6.558 -6.958 1.00 0.26 H new ATOM 0 HA MET A 119 -7.761 4.687 -8.222 1.00 0.25 H new ATOM 0 HB2 MET A 119 -5.496 4.029 -6.295 1.00 0.26 H new ATOM 0 HB3 MET A 119 -6.118 3.041 -7.602 1.00 0.26 H new ATOM 0 HG2 MET A 119 -4.834 5.769 -8.106 1.00 0.61 H new ATOM 0 HG3 MET A 119 -3.891 4.292 -8.059 1.00 0.61 H new ATOM 0 HE1 MET A 119 -4.144 2.800 -11.371 1.00 0.69 H new ATOM 0 HE2 MET A 119 -3.071 3.644 -10.228 1.00 0.69 H new ATOM 0 HE3 MET A 119 -4.101 2.308 -9.661 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.628 4.975 -4.945 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.344 4.713 -3.666 1.00 0.20 C ATOM 1959 C VAL A 120 -9.703 5.423 -3.659 1.00 0.22 C ATOM 1960 O VAL A 120 -10.707 4.848 -3.286 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.481 5.270 -2.528 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.957 4.698 -1.188 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -6.023 4.862 -2.763 1.00 0.23 C ATOM 0 H VAL A 120 -6.794 5.553 -4.846 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.512 3.643 -3.546 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.566 6.356 -2.505 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -7.340 5.097 -0.383 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.997 4.978 -1.022 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.872 3.611 -1.206 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.401 5.254 -1.958 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.948 3.775 -2.783 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.681 5.267 -3.716 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.747 6.667 -4.047 1.00 0.25 N ATOM 1974 CA GLU A 121 -11.045 7.402 -4.036 1.00 0.29 C ATOM 1975 C GLU A 121 -11.960 6.878 -5.147 1.00 0.28 C ATOM 1976 O GLU A 121 -13.157 6.777 -4.976 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.787 8.898 -4.252 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.259 9.523 -2.959 1.00 1.07 C ATOM 1979 CD GLU A 121 -9.975 11.008 -3.190 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.312 11.319 -4.166 1.00 2.27 O ATOM 1981 OE2 GLU A 121 -10.425 11.809 -2.388 1.00 2.20 O ATOM 0 H GLU A 121 -8.944 7.206 -4.370 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.531 7.247 -3.073 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -10.066 9.040 -5.057 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -11.708 9.395 -4.558 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -10.989 9.402 -2.159 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.350 9.013 -2.641 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.415 6.543 -6.281 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.275 6.032 -7.386 1.00 0.30 C ATOM 1990 C ASP A 122 -12.840 4.665 -7.004 1.00 0.28 C ATOM 1991 O ASP A 122 -13.999 4.365 -7.243 1.00 0.31 O ATOM 1992 CB ASP A 122 -11.449 5.898 -8.666 1.00 0.34 C ATOM 1993 CG ASP A 122 -11.079 7.289 -9.185 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -11.025 8.204 -8.380 1.00 1.89 O ATOM 1995 OD2 ASP A 122 -10.858 7.415 -10.378 1.00 1.92 O ATOM 0 H ASP A 122 -10.419 6.600 -6.492 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.093 6.732 -7.555 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -10.546 5.320 -8.469 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -12.017 5.356 -9.422 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.037 3.827 -6.409 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.527 2.479 -6.020 1.00 0.27 C ATOM 2002 C LYS A 123 -13.475 2.583 -4.825 1.00 0.26 C ATOM 2003 O LYS A 123 -14.443 1.850 -4.730 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.330 1.596 -5.642 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.764 0.105 -5.555 1.00 0.93 C ATOM 2006 CD LYS A 123 -11.078 -0.728 -6.650 1.00 1.10 C ATOM 2007 CE LYS A 123 -11.677 -0.377 -8.015 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.108 -1.282 -9.054 1.00 1.95 N ATOM 0 H LYS A 123 -11.063 4.019 -6.176 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.064 2.040 -6.861 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.538 1.709 -6.383 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -10.919 1.919 -4.685 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -11.510 -0.296 -4.574 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -12.846 0.030 -5.659 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -10.006 -0.533 -6.651 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -11.208 -1.791 -6.447 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -12.762 -0.477 -7.985 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -11.460 0.662 -8.263 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -11.514 -1.044 -9.981 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -10.075 -1.165 -9.088 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -11.337 -2.269 -8.818 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.228 3.489 -3.908 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.149 3.608 -2.741 1.00 0.29 C ATOM 2024 C ILE A 124 -15.385 4.395 -3.197 1.00 0.35 C ATOM 2025 O ILE A 124 -16.439 4.318 -2.604 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.445 4.288 -1.559 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.347 3.363 -1.017 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.462 4.570 -0.453 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.532 4.089 0.062 1.00 0.30 C ATOM 0 H ILE A 124 -12.442 4.139 -3.918 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.454 2.621 -2.393 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.000 5.226 -1.893 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.794 2.460 -0.601 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.691 3.049 -1.829 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.962 5.053 0.387 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.244 5.226 -0.836 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.907 3.632 -0.120 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.755 3.424 0.440 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.071 4.978 -0.367 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -12.190 4.381 0.880 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.267 5.146 -4.259 1.00 0.35 N ATOM 2042 CA GLN A 125 -16.456 5.908 -4.741 1.00 0.40 C ATOM 2043 C GLN A 125 -17.513 4.889 -5.193 1.00 0.43 C ATOM 2044 O GLN A 125 -18.697 5.089 -5.009 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.068 6.841 -5.899 1.00 0.53 C ATOM 2046 CG GLN A 125 -15.697 8.225 -5.360 1.00 1.22 C ATOM 2047 CD GLN A 125 -15.020 9.033 -6.468 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -14.038 9.709 -6.232 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -15.508 8.990 -7.677 1.00 2.64 N ATOM 0 H GLN A 125 -14.414 5.264 -4.806 1.00 0.35 H new ATOM 0 HA GLN A 125 -16.854 6.533 -3.942 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -15.227 6.419 -6.449 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -16.898 6.926 -6.601 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.590 8.743 -5.010 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -15.029 8.128 -4.504 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.332 8.422 -7.874 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.065 9.524 -8.425 1.00 2.64 H new