USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 55 MET CE :methyl -154:sc= -0.0699 (180deg=-0.000577) USER MOD Set 1.2: A 87 THR OG1 : rot 160:sc= 0.557 USER MOD Set 1.3: A 90 GLN : amide:sc= 0.019 K(o=0.51,f=-0.8) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.0125 (180deg=-0.178) USER MOD Single : A 13 SER OG : rot -79:sc= 1.06 USER MOD Single : A 17 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.75) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.06 F(o=-5.3!,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.253 K(o=-0.25,f=-0.82) USER MOD Single : A 40 TYR OH : rot 173:sc= 0.29 USER MOD Single : A 54 LYS NZ :NH3+ -121:sc= 0.521 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0786 (180deg=-0.46) USER MOD Single : A 61 SER OG : rot 101:sc= 1.25 USER MOD Single : A 64 SER OG : rot -22:sc= 1.16 USER MOD Single : A 67 MET CE :methyl -158:sc= -0.112 (180deg=-0.687) USER MOD Single : A 70 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.4!) USER MOD Single : A 71 GLN : amide:sc= -0.099 K(o=-0.099,f=-0.83) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.82) USER MOD Single : A 80 THR OG1 : rot -6:sc= 0.472 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 96:sc= 0.00471 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 7.302 -3.449 8.355 1.00 1.01 N ATOM 104 CA GLY A 9 6.181 -4.004 7.622 1.00 1.09 C ATOM 105 C GLY A 9 4.882 -3.283 7.923 1.00 1.08 C ATOM 106 O GLY A 9 3.933 -3.347 7.144 1.00 1.26 O ATOM 0 HA2 GLY A 9 6.386 -3.948 6.553 1.00 1.09 H new ATOM 0 HA3 GLY A 9 6.074 -5.060 7.871 1.00 1.09 H new ATOM 110 N LYS A 10 4.849 -2.592 9.057 1.00 1.12 N ATOM 111 CA LYS A 10 3.662 -1.857 9.487 1.00 1.33 C ATOM 112 C LYS A 10 3.289 -0.715 8.531 1.00 1.14 C ATOM 113 O LYS A 10 2.122 -0.577 8.166 1.00 1.22 O ATOM 114 CB LYS A 10 3.873 -1.305 10.901 1.00 1.68 C ATOM 115 CG LYS A 10 2.647 -0.615 11.479 1.00 2.23 C ATOM 116 CD LYS A 10 2.918 -0.071 12.872 1.00 3.07 C ATOM 117 CE LYS A 10 1.670 0.552 13.479 1.00 3.89 C ATOM 118 NZ LYS A 10 1.156 1.682 12.658 1.00 4.57 N ATOM 0 H LYS A 10 5.637 -2.525 9.701 1.00 1.12 H new ATOM 0 HA LYS A 10 2.831 -2.563 9.480 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.163 -2.123 11.561 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.703 -0.598 10.885 1.00 1.68 H new ATOM 0 HG2 LYS A 10 2.343 0.200 10.822 1.00 2.23 H new ATOM 0 HG3 LYS A 10 1.816 -1.320 11.518 1.00 2.23 H new ATOM 0 HD2 LYS A 10 3.274 -0.876 13.515 1.00 3.07 H new ATOM 0 HD3 LYS A 10 3.712 0.674 12.825 1.00 3.07 H new ATOM 0 HE2 LYS A 10 0.895 -0.208 13.575 1.00 3.89 H new ATOM 0 HE3 LYS A 10 1.894 0.907 14.485 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 0.426 2.195 13.192 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 1.937 2.329 12.431 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 0.745 1.312 11.777 1.00 4.57 H new ATOM 132 N PRO A 11 4.260 0.127 8.107 1.00 1.03 N ATOM 133 CA PRO A 11 3.983 1.261 7.213 1.00 1.05 C ATOM 134 C PRO A 11 3.319 0.854 5.899 1.00 0.77 C ATOM 135 O PRO A 11 2.685 1.678 5.241 1.00 0.72 O ATOM 136 CB PRO A 11 5.364 1.869 6.937 1.00 1.20 C ATOM 137 CG PRO A 11 6.344 0.825 7.348 1.00 1.49 C ATOM 138 CD PRO A 11 5.689 0.052 8.454 1.00 1.15 C ATOM 0 HA PRO A 11 3.279 1.951 7.678 1.00 1.05 H new ATOM 0 HB2 PRO A 11 5.478 2.122 5.883 1.00 1.20 H new ATOM 0 HB3 PRO A 11 5.509 2.789 7.504 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.593 0.173 6.511 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.276 1.277 7.687 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.042 -0.979 8.491 1.00 1.15 H new ATOM 0 HD3 PRO A 11 5.891 0.493 9.430 1.00 1.15 H new ATOM 146 N LEU A 12 3.455 -0.411 5.518 1.00 0.70 N ATOM 147 CA LEU A 12 2.870 -0.893 4.276 1.00 0.57 C ATOM 148 C LEU A 12 1.349 -0.789 4.316 1.00 0.48 C ATOM 149 O LEU A 12 0.689 -0.794 3.278 1.00 0.53 O ATOM 150 CB LEU A 12 3.291 -2.339 4.032 1.00 0.61 C ATOM 151 CG LEU A 12 4.768 -2.628 4.260 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.037 -4.121 4.177 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.623 -1.870 3.254 1.00 0.91 C ATOM 0 H LEU A 12 3.963 -1.117 6.050 1.00 0.70 H new ATOM 0 HA LEU A 12 3.233 -0.270 3.458 1.00 0.57 H new ATOM 0 HB2 LEU A 12 2.705 -2.987 4.684 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.038 -2.607 3.006 1.00 0.61 H new ATOM 0 HG LEU A 12 5.036 -2.287 5.260 1.00 0.58 H new ATOM 0 HD11 LEU A 12 6.098 -4.309 4.342 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.454 -4.639 4.938 1.00 1.01 H new ATOM 0 HD13 LEU A 12 4.753 -4.488 3.191 1.00 1.01 H new ATOM 0 HD21 LEU A 12 6.676 -2.089 3.433 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.355 -2.178 2.243 1.00 0.91 H new ATOM 0 HD23 LEU A 12 5.452 -0.799 3.364 1.00 0.91 H new ATOM 165 N SER A 13 0.801 -0.694 5.524 1.00 0.52 N ATOM 166 CA SER A 13 -0.641 -0.590 5.708 1.00 0.61 C ATOM 167 C SER A 13 -1.153 0.753 5.199 1.00 0.58 C ATOM 168 O SER A 13 -1.997 0.808 4.303 1.00 0.69 O ATOM 169 CB SER A 13 -0.998 -0.767 7.186 1.00 0.78 C ATOM 170 OG SER A 13 -0.428 0.261 7.977 1.00 1.39 O ATOM 0 H SER A 13 1.337 -0.687 6.392 1.00 0.52 H new ATOM 0 HA SER A 13 -1.120 -1.381 5.132 1.00 0.61 H new ATOM 0 HB2 SER A 13 -2.082 -0.762 7.304 1.00 0.78 H new ATOM 0 HB3 SER A 13 -0.644 -1.737 7.535 1.00 0.78 H new ATOM 0 HG SER A 13 0.518 0.063 8.138 1.00 1.39 H new ATOM 176 N GLY A 14 -0.638 1.834 5.776 1.00 0.56 N ATOM 177 CA GLY A 14 -1.044 3.162 5.359 1.00 0.59 C ATOM 178 C GLY A 14 -0.304 3.611 4.116 1.00 0.55 C ATOM 179 O GLY A 14 -0.340 4.784 3.746 1.00 0.58 O ATOM 0 H GLY A 14 0.054 1.813 6.525 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -2.117 3.171 5.167 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.859 3.869 6.168 1.00 0.59 H new ATOM 183 N LEU A 15 0.374 2.664 3.476 1.00 0.52 N ATOM 184 CA LEU A 15 1.136 2.941 2.265 1.00 0.52 C ATOM 185 C LEU A 15 0.210 3.082 1.067 1.00 0.46 C ATOM 186 O LEU A 15 0.295 4.058 0.327 1.00 0.47 O ATOM 187 CB LEU A 15 2.143 1.821 2.024 1.00 0.57 C ATOM 188 CG LEU A 15 3.589 2.271 1.796 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.718 2.974 0.458 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.061 3.179 2.927 1.00 1.10 C ATOM 0 H LEU A 15 0.411 1.691 3.779 1.00 0.52 H new ATOM 0 HA LEU A 15 1.670 3.882 2.395 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.122 1.147 2.880 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.819 1.246 1.157 1.00 0.57 H new ATOM 0 HG LEU A 15 4.225 1.386 1.786 1.00 0.69 H new ATOM 0 HD11 LEU A 15 4.751 3.288 0.310 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.428 2.292 -0.341 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.067 3.848 0.442 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.091 3.485 2.742 1.00 1.10 H new ATOM 0 HD22 LEU A 15 3.423 4.062 2.975 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.007 2.640 3.873 1.00 1.10 H new ATOM 202 N LEU A 16 -0.677 2.107 0.881 1.00 0.45 N ATOM 203 CA LEU A 16 -1.630 2.154 -0.223 1.00 0.42 C ATOM 204 C LEU A 16 -2.373 3.482 -0.179 1.00 0.40 C ATOM 205 O LEU A 16 -2.949 3.931 -1.169 1.00 0.41 O ATOM 206 CB LEU A 16 -2.631 0.988 -0.148 1.00 0.47 C ATOM 207 CG LEU A 16 -2.036 -0.414 0.056 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.734 -0.584 -0.716 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.829 -0.708 1.535 1.00 0.92 C ATOM 0 H LEU A 16 -0.755 1.282 1.475 1.00 0.45 H new ATOM 0 HA LEU A 16 -1.084 2.061 -1.162 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -3.325 1.186 0.669 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -3.215 0.980 -1.068 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.752 -1.135 -0.338 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -0.340 -1.587 -0.549 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.920 -0.440 -1.780 1.00 0.86 H new ATOM 0 HD13 LEU A 16 -0.008 0.153 -0.372 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -1.407 -1.706 1.652 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -1.145 0.027 1.960 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.786 -0.656 2.054 1.00 0.92 H new ATOM 221 N ASN A 17 -2.344 4.097 1.000 1.00 0.40 N ATOM 222 CA ASN A 17 -2.984 5.380 1.237 1.00 0.42 C ATOM 223 C ASN A 17 -2.076 6.533 0.809 1.00 0.38 C ATOM 224 O ASN A 17 -2.449 7.351 -0.032 1.00 0.42 O ATOM 225 CB ASN A 17 -3.322 5.505 2.724 1.00 0.47 C ATOM 226 CG ASN A 17 -3.718 6.916 3.117 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.292 7.658 2.321 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.411 7.293 4.353 1.00 2.33 N ATOM 0 H ASN A 17 -1.873 3.714 1.820 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.897 5.433 0.644 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -4.137 4.822 2.966 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.460 5.195 3.316 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -3.652 8.230 4.675 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.935 6.645 4.980 1.00 2.33 H new ATOM 235 N ALA A 18 -0.882 6.589 1.398 1.00 0.37 N ATOM 236 CA ALA A 18 0.088 7.638 1.087 1.00 0.37 C ATOM 237 C ALA A 18 0.401 7.682 -0.405 1.00 0.38 C ATOM 238 O ALA A 18 0.608 8.751 -0.977 1.00 0.44 O ATOM 239 CB ALA A 18 1.370 7.416 1.870 1.00 0.42 C ATOM 0 H ALA A 18 -0.562 5.917 2.096 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.354 8.593 1.373 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.084 8.204 1.630 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.152 7.437 2.938 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.795 6.448 1.605 1.00 0.42 H new ATOM 245 N LEU A 19 0.415 6.507 -1.026 1.00 0.42 N ATOM 246 CA LEU A 19 0.726 6.373 -2.447 1.00 0.48 C ATOM 247 C LEU A 19 -0.219 7.180 -3.333 1.00 0.52 C ATOM 248 O LEU A 19 -0.033 7.240 -4.549 1.00 0.69 O ATOM 249 CB LEU A 19 0.688 4.897 -2.845 1.00 0.51 C ATOM 250 CG LEU A 19 1.787 4.042 -2.216 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.469 2.561 -2.356 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.128 4.365 -2.850 1.00 0.94 C ATOM 0 H LEU A 19 0.212 5.622 -0.561 1.00 0.42 H new ATOM 0 HA LEU A 19 1.727 6.776 -2.601 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.281 4.483 -2.566 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.765 4.824 -3.930 1.00 0.51 H new ATOM 0 HG LEU A 19 1.839 4.274 -1.152 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.266 1.973 -1.901 1.00 0.77 H new ATOM 0 HD12 LEU A 19 0.526 2.343 -1.856 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.387 2.305 -3.412 1.00 0.77 H new ATOM 0 HD21 LEU A 19 3.904 3.750 -2.394 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.084 4.159 -3.920 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.361 5.418 -2.692 1.00 0.94 H new ATOM 264 N ALA A 20 -1.231 7.795 -2.732 1.00 0.54 N ATOM 265 CA ALA A 20 -2.178 8.602 -3.489 1.00 0.64 C ATOM 266 C ALA A 20 -1.497 9.851 -4.043 1.00 0.78 C ATOM 267 O ALA A 20 -1.537 10.917 -3.429 1.00 1.59 O ATOM 268 CB ALA A 20 -3.367 8.982 -2.618 1.00 0.76 C ATOM 0 H ALA A 20 -1.416 7.751 -1.730 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.541 8.010 -4.329 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.065 9.585 -3.198 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.868 8.078 -2.272 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.020 9.556 -1.759 1.00 0.76 H new ATOM 274 N GLN A 21 -0.866 9.704 -5.204 1.00 0.71 N ATOM 275 CA GLN A 21 -0.162 10.812 -5.841 1.00 0.81 C ATOM 276 C GLN A 21 -0.795 11.164 -7.185 1.00 1.05 C ATOM 277 O GLN A 21 -0.380 12.118 -7.844 1.00 1.54 O ATOM 278 CB GLN A 21 1.316 10.456 -6.037 1.00 1.12 C ATOM 279 CG GLN A 21 1.543 9.299 -6.998 1.00 1.08 C ATOM 280 CD GLN A 21 2.996 8.866 -7.077 1.00 1.24 C ATOM 281 OE1 GLN A 21 3.913 9.808 -6.884 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 3.292 7.694 -7.310 1.00 1.21 N flip ATOM 0 H GLN A 21 -0.828 8.827 -5.724 1.00 0.71 H new ATOM 0 HA GLN A 21 -0.239 11.681 -5.188 1.00 0.81 H new ATOM 0 HB2 GLN A 21 1.846 11.334 -6.407 1.00 1.12 H new ATOM 0 HB3 GLN A 21 1.752 10.205 -5.070 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.934 8.451 -6.686 1.00 1.08 H new ATOM 0 HG3 GLN A 21 1.202 9.588 -7.992 1.00 1.08 H new ATOM 0 HE21 GLN A 21 2.557 7.001 -7.452 1.00 1.21 H new ATOM 0 HE22 GLN A 21 4.272 7.416 -7.361 1.00 1.21 H new ATOM 404 N ILE A 30 -3.442 15.116 0.726 1.00 1.02 N ATOM 405 CA ILE A 30 -2.381 14.232 0.258 1.00 0.84 C ATOM 406 C ILE A 30 -1.697 14.807 -0.981 1.00 0.87 C ATOM 407 O ILE A 30 -2.353 15.355 -1.867 1.00 1.18 O ATOM 408 CB ILE A 30 -2.925 12.824 -0.068 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.781 11.871 -0.425 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.939 12.892 -1.202 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.942 11.458 0.764 1.00 0.75 C ATOM 0 HA ILE A 30 -1.653 14.150 1.065 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.427 12.438 0.819 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.196 10.979 -0.894 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.138 12.349 -1.164 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.311 11.891 -1.418 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.770 13.533 -0.909 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.462 13.301 -2.093 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.152 10.783 0.435 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.497 12.342 1.220 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.572 10.950 1.495 1.00 0.75 H new ATOM 423 N THR A 31 -0.374 14.682 -1.032 1.00 0.88 N ATOM 424 CA THR A 31 0.403 15.186 -2.157 1.00 0.97 C ATOM 425 C THR A 31 1.493 14.194 -2.550 1.00 0.86 C ATOM 426 O THR A 31 1.899 13.359 -1.743 1.00 0.78 O ATOM 427 CB THR A 31 1.049 16.546 -1.823 1.00 1.07 C ATOM 428 OG1 THR A 31 0.082 17.414 -1.221 1.00 1.72 O ATOM 429 CG2 THR A 31 1.613 17.206 -3.074 1.00 1.06 C ATOM 0 H THR A 31 0.183 14.234 -0.304 1.00 0.88 H new ATOM 0 HA THR A 31 -0.284 15.317 -2.993 1.00 0.97 H new ATOM 0 HB THR A 31 1.867 16.368 -1.125 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.501 18.275 -1.011 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.062 18.163 -2.809 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.371 16.559 -3.516 1.00 1.06 H new ATOM 0 HG23 THR A 31 0.810 17.369 -3.793 1.00 1.06 H new ATOM 437 N GLU A 32 1.958 14.284 -3.793 1.00 0.93 N ATOM 438 CA GLU A 32 3.001 13.392 -4.289 1.00 0.95 C ATOM 439 C GLU A 32 4.232 13.429 -3.388 1.00 0.84 C ATOM 440 O GLU A 32 4.762 12.388 -2.999 1.00 0.91 O ATOM 441 CB GLU A 32 3.387 13.774 -5.720 1.00 1.15 C ATOM 442 CG GLU A 32 4.546 12.964 -6.279 1.00 1.47 C ATOM 443 CD GLU A 32 4.791 13.235 -7.751 1.00 1.59 C ATOM 444 OE1 GLU A 32 4.064 12.663 -8.590 1.00 1.56 O ATOM 445 OE2 GLU A 32 5.710 14.022 -8.065 1.00 1.98 O ATOM 0 H GLU A 32 1.628 14.966 -4.476 1.00 0.93 H new ATOM 0 HA GLU A 32 2.606 12.376 -4.284 1.00 0.95 H new ATOM 0 HB2 GLU A 32 2.520 13.645 -6.367 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.649 14.832 -5.746 1.00 1.15 H new ATOM 0 HG2 GLU A 32 5.450 13.194 -5.716 1.00 1.47 H new ATOM 0 HG3 GLU A 32 4.344 11.902 -6.138 1.00 1.47 H new ATOM 452 N GLU A 33 4.679 14.635 -3.057 1.00 0.80 N ATOM 453 CA GLU A 33 5.846 14.811 -2.201 1.00 0.79 C ATOM 454 C GLU A 33 5.572 14.278 -0.801 1.00 0.64 C ATOM 455 O GLU A 33 6.497 13.956 -0.054 1.00 0.70 O ATOM 456 CB GLU A 33 6.228 16.291 -2.128 1.00 0.97 C ATOM 457 CG GLU A 33 5.104 17.184 -1.628 1.00 1.63 C ATOM 458 CD GLU A 33 5.511 18.642 -1.544 1.00 2.05 C ATOM 459 OE1 GLU A 33 5.374 19.356 -2.560 1.00 2.36 O ATOM 460 OE2 GLU A 33 5.966 19.071 -0.463 1.00 2.64 O ATOM 0 H GLU A 33 4.250 15.506 -3.369 1.00 0.80 H new ATOM 0 HA GLU A 33 6.674 14.248 -2.632 1.00 0.79 H new ATOM 0 HB2 GLU A 33 7.090 16.403 -1.471 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.536 16.628 -3.118 1.00 0.97 H new ATOM 0 HG2 GLU A 33 4.246 17.088 -2.293 1.00 1.63 H new ATOM 0 HG3 GLU A 33 4.784 16.843 -0.643 1.00 1.63 H new ATOM 467 N LEU A 34 4.293 14.186 -0.454 1.00 0.54 N ATOM 468 CA LEU A 34 3.886 13.696 0.857 1.00 0.49 C ATOM 469 C LEU A 34 3.826 12.174 0.884 1.00 0.43 C ATOM 470 O LEU A 34 4.082 11.559 1.915 1.00 0.46 O ATOM 471 CB LEU A 34 2.519 14.262 1.236 1.00 0.57 C ATOM 472 CG LEU A 34 2.460 15.777 1.411 1.00 0.91 C ATOM 473 CD1 LEU A 34 1.028 16.213 1.651 1.00 1.75 C ATOM 474 CD2 LEU A 34 3.355 16.224 2.559 1.00 1.48 C ATOM 0 H LEU A 34 3.518 14.445 -1.065 1.00 0.54 H new ATOM 0 HA LEU A 34 4.632 14.029 1.579 1.00 0.49 H new ATOM 0 HB2 LEU A 34 1.801 13.974 0.468 1.00 0.57 H new ATOM 0 HB3 LEU A 34 2.196 13.794 2.166 1.00 0.57 H new ATOM 0 HG LEU A 34 2.824 16.248 0.498 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.993 17.295 1.775 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.412 15.925 0.799 1.00 1.75 H new ATOM 0 HD13 LEU A 34 0.647 15.732 2.552 1.00 1.75 H new ATOM 0 HD21 LEU A 34 3.297 17.307 2.665 1.00 1.48 H new ATOM 0 HD22 LEU A 34 3.025 15.751 3.484 1.00 1.48 H new ATOM 0 HD23 LEU A 34 4.385 15.934 2.351 1.00 1.48 H new ATOM 486 N LEU A 35 3.483 11.574 -0.254 1.00 0.45 N ATOM 487 CA LEU A 35 3.375 10.125 -0.361 1.00 0.49 C ATOM 488 C LEU A 35 4.551 9.434 0.331 1.00 0.43 C ATOM 489 O LEU A 35 4.389 8.384 0.953 1.00 0.50 O ATOM 490 CB LEU A 35 3.287 9.724 -1.842 1.00 0.63 C ATOM 491 CG LEU A 35 4.567 9.160 -2.466 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.674 7.665 -2.204 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.597 9.440 -3.960 1.00 1.08 C ATOM 0 H LEU A 35 3.275 12.074 -1.118 1.00 0.45 H new ATOM 0 HA LEU A 35 2.466 9.799 0.145 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.497 8.981 -1.950 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.982 10.599 -2.416 1.00 0.63 H new ATOM 0 HG LEU A 35 5.422 9.653 -2.004 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.589 7.281 -2.655 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.695 7.485 -1.129 1.00 0.89 H new ATOM 0 HD13 LEU A 35 3.814 7.157 -2.640 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.513 9.033 -4.388 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.735 8.972 -4.435 1.00 1.08 H new ATOM 0 HD23 LEU A 35 4.565 10.516 -4.129 1.00 1.08 H new ATOM 505 N ARG A 36 5.731 10.031 0.211 1.00 0.38 N ATOM 506 CA ARG A 36 6.936 9.488 0.824 1.00 0.38 C ATOM 507 C ARG A 36 7.048 9.899 2.295 1.00 0.34 C ATOM 508 O ARG A 36 7.061 9.054 3.187 1.00 0.37 O ATOM 509 CB ARG A 36 8.171 9.958 0.047 1.00 0.46 C ATOM 510 CG ARG A 36 9.466 9.903 0.843 1.00 1.18 C ATOM 511 CD ARG A 36 10.327 11.126 0.587 1.00 1.73 C ATOM 512 NE ARG A 36 10.887 11.667 1.823 1.00 2.64 N ATOM 513 CZ ARG A 36 11.869 12.564 1.861 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.396 13.024 0.735 1.00 3.46 N ATOM 515 NH2 ARG A 36 12.323 13.002 3.028 1.00 4.28 N ATOM 0 H ARG A 36 5.879 10.896 -0.309 1.00 0.38 H new ATOM 0 HA ARG A 36 6.877 8.400 0.786 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.280 9.343 -0.846 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.007 10.982 -0.289 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.238 9.833 1.907 1.00 1.18 H new ATOM 0 HG3 ARG A 36 10.021 9.004 0.576 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.137 10.864 -0.094 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.731 11.893 0.093 1.00 1.73 H new ATOM 0 HE ARG A 36 10.503 11.338 2.709 1.00 2.64 H new ATOM 0 HH11 ARG A 36 12.049 12.690 -0.164 1.00 3.46 H new ATOM 0 HH12 ARG A 36 13.149 13.712 0.768 1.00 3.46 H new ATOM 0 HH21 ARG A 36 11.919 12.651 3.896 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.076 13.690 3.057 1.00 4.28 H new ATOM 529 N SER A 37 7.133 11.203 2.529 1.00 0.36 N ATOM 530 CA SER A 37 7.275 11.750 3.879 1.00 0.40 C ATOM 531 C SER A 37 6.185 11.262 4.835 1.00 0.40 C ATOM 532 O SER A 37 6.356 11.318 6.054 1.00 0.46 O ATOM 533 CB SER A 37 7.261 13.279 3.825 1.00 0.47 C ATOM 534 OG SER A 37 7.379 13.838 5.122 1.00 1.33 O ATOM 0 H SER A 37 7.106 11.910 1.795 1.00 0.36 H new ATOM 0 HA SER A 37 8.229 11.393 4.267 1.00 0.40 H new ATOM 0 HB2 SER A 37 8.080 13.631 3.198 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.336 13.621 3.361 1.00 0.47 H new ATOM 0 HG SER A 37 7.369 14.816 5.059 1.00 1.33 H new ATOM 540 N GLN A 38 5.069 10.785 4.292 1.00 0.36 N ATOM 541 CA GLN A 38 3.958 10.325 5.119 1.00 0.39 C ATOM 542 C GLN A 38 4.310 9.076 5.931 1.00 0.43 C ATOM 543 O GLN A 38 4.114 9.055 7.146 1.00 0.67 O ATOM 544 CB GLN A 38 2.721 10.073 4.258 1.00 0.42 C ATOM 545 CG GLN A 38 1.932 11.339 3.951 1.00 0.74 C ATOM 546 CD GLN A 38 1.361 11.985 5.199 1.00 1.11 C ATOM 547 OE1 GLN A 38 1.034 11.305 6.171 1.00 1.74 O ATOM 548 NE2 GLN A 38 1.242 13.309 5.180 1.00 1.84 N ATOM 0 H GLN A 38 4.910 10.707 3.287 1.00 0.36 H new ATOM 0 HA GLN A 38 3.741 11.119 5.834 1.00 0.39 H new ATOM 0 HB2 GLN A 38 3.028 9.608 3.321 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.070 9.363 4.768 1.00 0.42 H new ATOM 0 HG2 GLN A 38 2.580 12.052 3.441 1.00 0.74 H new ATOM 0 HG3 GLN A 38 1.119 11.099 3.266 1.00 0.74 H new ATOM 0 HE21 GLN A 38 1.525 13.835 4.353 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.867 13.799 5.992 1.00 1.84 H new ATOM 557 N LEU A 39 4.828 8.039 5.273 1.00 0.41 N ATOM 558 CA LEU A 39 5.175 6.806 5.977 1.00 0.53 C ATOM 559 C LEU A 39 6.634 6.406 5.753 1.00 0.51 C ATOM 560 O LEU A 39 7.218 5.697 6.574 1.00 0.61 O ATOM 561 CB LEU A 39 4.241 5.671 5.553 1.00 0.69 C ATOM 562 CG LEU A 39 2.782 5.836 5.991 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.012 6.701 5.003 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.119 4.478 6.145 1.00 1.07 C ATOM 0 H LEU A 39 5.014 8.027 4.270 1.00 0.41 H new ATOM 0 HA LEU A 39 5.050 6.994 7.043 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.271 5.582 4.467 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.623 4.735 5.960 1.00 0.69 H new ATOM 0 HG LEU A 39 2.771 6.339 6.958 1.00 0.78 H new ATOM 0 HD11 LEU A 39 0.979 6.803 5.336 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.474 7.687 4.946 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.031 6.234 4.018 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.083 4.612 6.457 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.146 3.950 5.192 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.652 3.896 6.897 1.00 1.07 H new ATOM 576 N TYR A 40 7.215 6.848 4.641 1.00 0.46 N ATOM 577 CA TYR A 40 8.612 6.537 4.330 1.00 0.48 C ATOM 578 C TYR A 40 9.487 7.787 4.451 1.00 0.42 C ATOM 579 O TYR A 40 9.772 8.446 3.453 1.00 0.46 O ATOM 580 CB TYR A 40 8.741 5.964 2.913 1.00 0.58 C ATOM 581 CG TYR A 40 8.271 4.531 2.749 1.00 0.63 C ATOM 582 CD1 TYR A 40 7.578 3.860 3.752 1.00 0.99 C ATOM 583 CD2 TYR A 40 8.537 3.848 1.572 1.00 0.89 C ATOM 584 CE1 TYR A 40 7.172 2.552 3.580 1.00 1.38 C ATOM 585 CE2 TYR A 40 8.132 2.547 1.392 1.00 1.30 C ATOM 586 CZ TYR A 40 7.450 1.899 2.398 1.00 1.48 C ATOM 587 OH TYR A 40 7.046 0.597 2.222 1.00 1.97 O ATOM 0 H TYR A 40 6.744 7.421 3.941 1.00 0.46 H new ATOM 0 HA TYR A 40 8.951 5.791 5.049 1.00 0.48 H new ATOM 0 HB2 TYR A 40 8.173 6.596 2.230 1.00 0.58 H new ATOM 0 HB3 TYR A 40 9.786 6.024 2.608 1.00 0.58 H new ATOM 0 HD1 TYR A 40 7.355 4.370 4.678 1.00 0.99 H new ATOM 0 HD2 TYR A 40 9.074 4.349 0.780 1.00 0.89 H new ATOM 0 HE1 TYR A 40 6.639 2.042 4.368 1.00 1.38 H new ATOM 0 HE2 TYR A 40 8.348 2.035 0.466 1.00 1.30 H new ATOM 0 HH TYR A 40 7.219 0.323 1.297 1.00 1.97 H new ATOM 597 N PRO A 41 9.924 8.136 5.676 1.00 0.47 N ATOM 598 CA PRO A 41 10.760 9.314 5.907 1.00 0.51 C ATOM 599 C PRO A 41 12.247 9.040 5.693 1.00 0.57 C ATOM 600 O PRO A 41 13.097 9.803 6.151 1.00 0.79 O ATOM 601 CB PRO A 41 10.485 9.624 7.374 1.00 0.66 C ATOM 602 CG PRO A 41 10.269 8.287 7.996 1.00 0.75 C ATOM 603 CD PRO A 41 9.635 7.420 6.935 1.00 0.62 C ATOM 0 HA PRO A 41 10.530 10.126 5.217 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.323 10.147 7.835 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.609 10.263 7.489 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.213 7.859 8.334 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.623 8.365 8.870 1.00 0.75 H new ATOM 0 HD2 PRO A 41 10.061 6.417 6.931 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.563 7.311 7.096 1.00 0.62 H new ATOM 611 N GLU A 42 12.558 7.952 4.995 1.00 0.48 N ATOM 612 CA GLU A 42 13.949 7.589 4.737 1.00 0.55 C ATOM 613 C GLU A 42 14.171 7.229 3.271 1.00 0.57 C ATOM 614 O GLU A 42 15.307 7.024 2.843 1.00 0.71 O ATOM 615 CB GLU A 42 14.354 6.407 5.621 1.00 0.59 C ATOM 616 CG GLU A 42 13.878 5.061 5.095 1.00 0.58 C ATOM 617 CD GLU A 42 13.965 3.968 6.141 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.047 3.877 6.983 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.954 3.204 6.121 1.00 0.94 O ATOM 0 H GLU A 42 11.871 7.310 4.600 1.00 0.48 H new ATOM 0 HA GLU A 42 14.567 8.455 4.973 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.440 6.388 5.713 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.952 6.559 6.623 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.847 5.152 4.753 1.00 0.58 H new ATOM 0 HG3 GLU A 42 14.477 4.780 4.229 1.00 0.58 H new ATOM 626 N VAL A 43 13.089 7.153 2.507 1.00 0.52 N ATOM 627 CA VAL A 43 13.177 6.804 1.101 1.00 0.60 C ATOM 628 C VAL A 43 12.983 8.044 0.226 1.00 0.51 C ATOM 629 O VAL A 43 12.217 8.936 0.578 1.00 0.52 O ATOM 630 CB VAL A 43 12.116 5.736 0.746 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.891 6.362 0.102 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.700 4.660 -0.151 1.00 0.99 C ATOM 0 H VAL A 43 12.141 7.329 2.840 1.00 0.52 H new ATOM 0 HA VAL A 43 14.169 6.395 0.911 1.00 0.60 H new ATOM 0 HB VAL A 43 11.802 5.268 1.679 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.166 5.583 -0.134 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.443 7.078 0.792 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.184 6.875 -0.814 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.931 3.923 -0.384 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.060 5.113 -1.075 1.00 0.99 H new ATOM 0 HG23 VAL A 43 13.529 4.170 0.360 1.00 0.99 H new ATOM 642 N PRO A 44 13.693 8.135 -0.910 1.00 0.56 N ATOM 643 CA PRO A 44 13.562 9.261 -1.835 1.00 0.54 C ATOM 644 C PRO A 44 12.319 9.118 -2.712 1.00 0.54 C ATOM 645 O PRO A 44 12.006 8.016 -3.163 1.00 0.60 O ATOM 646 CB PRO A 44 14.834 9.179 -2.698 1.00 0.64 C ATOM 647 CG PRO A 44 15.651 8.063 -2.126 1.00 0.67 C ATOM 648 CD PRO A 44 14.694 7.179 -1.382 1.00 0.76 C ATOM 0 HA PRO A 44 13.456 10.212 -1.314 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.585 8.985 -3.741 1.00 0.64 H new ATOM 0 HB3 PRO A 44 15.385 10.119 -2.671 1.00 0.64 H new ATOM 0 HG2 PRO A 44 16.159 7.509 -2.915 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.423 8.448 -1.460 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.257 6.418 -2.028 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.179 6.657 -0.557 1.00 0.76 H new ATOM 656 N PRO A 45 11.582 10.219 -2.966 1.00 0.56 N ATOM 657 CA PRO A 45 10.372 10.176 -3.797 1.00 0.67 C ATOM 658 C PRO A 45 10.649 9.618 -5.190 1.00 0.77 C ATOM 659 O PRO A 45 9.725 9.285 -5.933 1.00 1.08 O ATOM 660 CB PRO A 45 9.942 11.643 -3.881 1.00 0.72 C ATOM 661 CG PRO A 45 10.537 12.275 -2.671 1.00 0.63 C ATOM 662 CD PRO A 45 11.853 11.582 -2.470 1.00 0.56 C ATOM 0 HA PRO A 45 9.610 9.522 -3.374 1.00 0.67 H new ATOM 0 HB2 PRO A 45 10.307 12.112 -4.794 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.856 11.739 -3.886 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.674 13.347 -2.814 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.890 12.150 -1.803 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.654 12.065 -3.030 1.00 0.56 H new ATOM 0 HD3 PRO A 45 12.153 11.579 -1.422 1.00 0.56 H new ATOM 670 N GLU A 46 11.929 9.521 -5.538 1.00 0.65 N ATOM 671 CA GLU A 46 12.334 8.997 -6.837 1.00 0.77 C ATOM 672 C GLU A 46 12.685 7.514 -6.735 1.00 0.71 C ATOM 673 O GLU A 46 12.329 6.722 -7.608 1.00 0.81 O ATOM 674 CB GLU A 46 13.525 9.786 -7.383 1.00 0.92 C ATOM 675 CG GLU A 46 14.690 9.882 -6.413 1.00 1.61 C ATOM 676 CD GLU A 46 15.864 10.654 -6.984 1.00 2.17 C ATOM 677 OE1 GLU A 46 15.876 11.897 -6.857 1.00 2.25 O ATOM 678 OE2 GLU A 46 16.770 10.016 -7.560 1.00 3.02 O ATOM 0 H GLU A 46 12.704 9.799 -4.937 1.00 0.65 H new ATOM 0 HA GLU A 46 11.496 9.107 -7.526 1.00 0.77 H new ATOM 0 HB2 GLU A 46 13.869 9.316 -8.305 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.195 10.792 -7.642 1.00 0.92 H new ATOM 0 HG2 GLU A 46 14.355 10.365 -5.495 1.00 1.61 H new ATOM 0 HG3 GLU A 46 15.017 8.878 -6.144 1.00 1.61 H new ATOM 685 N GLU A 47 13.389 7.145 -5.665 1.00 0.63 N ATOM 686 CA GLU A 47 13.775 5.754 -5.448 1.00 0.66 C ATOM 687 C GLU A 47 12.673 5.005 -4.709 1.00 0.55 C ATOM 688 O GLU A 47 12.871 3.886 -4.235 1.00 0.59 O ATOM 689 CB GLU A 47 15.085 5.673 -4.663 1.00 0.81 C ATOM 690 CG GLU A 47 16.286 6.202 -5.428 1.00 1.25 C ATOM 691 CD GLU A 47 17.569 6.132 -4.623 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.128 5.024 -4.491 1.00 1.62 O ATOM 693 OE2 GLU A 47 18.012 7.188 -4.122 1.00 1.58 O ATOM 0 H GLU A 47 13.702 7.789 -4.938 1.00 0.63 H new ATOM 0 HA GLU A 47 13.925 5.286 -6.421 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.979 6.236 -3.736 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.269 4.635 -4.386 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.407 5.629 -6.348 1.00 1.25 H new ATOM 0 HG3 GLU A 47 16.100 7.236 -5.719 1.00 1.25 H new ATOM 700 N PHE A 48 11.515 5.643 -4.604 1.00 0.48 N ATOM 701 CA PHE A 48 10.361 5.050 -3.941 1.00 0.45 C ATOM 702 C PHE A 48 9.687 4.046 -4.878 1.00 0.41 C ATOM 703 O PHE A 48 9.209 2.996 -4.447 1.00 0.45 O ATOM 704 CB PHE A 48 9.385 6.167 -3.529 1.00 0.54 C ATOM 705 CG PHE A 48 8.292 5.756 -2.572 1.00 1.39 C ATOM 706 CD1 PHE A 48 7.456 4.682 -2.840 1.00 1.41 C ATOM 707 CD2 PHE A 48 8.103 6.461 -1.395 1.00 2.39 C ATOM 708 CE1 PHE A 48 6.460 4.323 -1.952 1.00 2.36 C ATOM 709 CE2 PHE A 48 7.111 6.106 -0.505 1.00 3.37 C ATOM 710 CZ PHE A 48 6.289 5.036 -0.783 1.00 3.35 C ATOM 0 H PHE A 48 11.349 6.579 -4.973 1.00 0.48 H new ATOM 0 HA PHE A 48 10.678 4.516 -3.045 1.00 0.45 H new ATOM 0 HB2 PHE A 48 9.957 6.976 -3.074 1.00 0.54 H new ATOM 0 HB3 PHE A 48 8.922 6.571 -4.429 1.00 0.54 H new ATOM 0 HD1 PHE A 48 7.585 4.120 -3.753 1.00 1.41 H new ATOM 0 HD2 PHE A 48 8.742 7.302 -1.171 1.00 2.39 H new ATOM 0 HE1 PHE A 48 5.816 3.485 -2.173 1.00 2.36 H new ATOM 0 HE2 PHE A 48 6.979 6.666 0.409 1.00 3.37 H new ATOM 0 HZ PHE A 48 5.512 4.756 -0.087 1.00 3.35 H new ATOM 720 N ARG A 49 9.687 4.369 -6.170 1.00 0.43 N ATOM 721 CA ARG A 49 9.068 3.517 -7.183 1.00 0.47 C ATOM 722 C ARG A 49 9.672 2.106 -7.218 1.00 0.49 C ATOM 723 O ARG A 49 8.931 1.124 -7.181 1.00 0.52 O ATOM 724 CB ARG A 49 9.175 4.165 -8.566 1.00 0.58 C ATOM 725 CG ARG A 49 8.403 3.419 -9.643 1.00 1.06 C ATOM 726 CD ARG A 49 6.903 3.475 -9.392 1.00 1.14 C ATOM 727 NE ARG A 49 6.170 2.511 -10.208 1.00 1.80 N ATOM 728 CZ ARG A 49 4.872 2.263 -10.066 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.165 2.907 -9.146 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.277 1.369 -10.844 1.00 3.07 N ATOM 0 H ARG A 49 10.111 5.219 -6.541 1.00 0.43 H new ATOM 0 HA ARG A 49 8.018 3.414 -6.907 1.00 0.47 H new ATOM 0 HB2 ARG A 49 8.807 5.189 -8.509 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.225 4.219 -8.854 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.626 3.851 -10.618 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.730 2.380 -9.673 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.705 3.280 -8.338 1.00 1.14 H new ATOM 0 HD3 ARG A 49 6.538 4.480 -9.605 1.00 1.14 H new ATOM 0 HE ARG A 49 6.682 2.000 -10.927 1.00 1.80 H new ATOM 0 HH11 ARG A 49 4.617 3.595 -8.545 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.169 2.714 -9.040 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.816 0.871 -11.553 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.281 1.180 -10.734 1.00 3.07 H new ATOM 744 N PRO A 50 11.015 1.966 -7.308 1.00 0.52 N ATOM 745 CA PRO A 50 11.658 0.648 -7.350 1.00 0.59 C ATOM 746 C PRO A 50 11.201 -0.257 -6.212 1.00 0.58 C ATOM 747 O PRO A 50 11.056 -1.464 -6.392 1.00 0.68 O ATOM 748 CB PRO A 50 13.159 0.954 -7.236 1.00 0.63 C ATOM 749 CG PRO A 50 13.248 2.393 -6.850 1.00 0.58 C ATOM 750 CD PRO A 50 12.006 3.048 -7.380 1.00 0.54 C ATOM 0 HA PRO A 50 11.402 0.108 -8.261 1.00 0.59 H new ATOM 0 HB2 PRO A 50 13.633 0.318 -6.488 1.00 0.63 H new ATOM 0 HB3 PRO A 50 13.669 0.770 -8.181 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.314 2.502 -5.767 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.141 2.854 -7.271 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.712 3.907 -6.777 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.141 3.406 -8.401 1.00 0.54 H new ATOM 758 N PHE A 51 10.976 0.329 -5.042 1.00 0.49 N ATOM 759 CA PHE A 51 10.514 -0.437 -3.893 1.00 0.51 C ATOM 760 C PHE A 51 9.052 -0.814 -4.076 1.00 0.45 C ATOM 761 O PHE A 51 8.588 -1.827 -3.549 1.00 0.52 O ATOM 762 CB PHE A 51 10.698 0.356 -2.600 1.00 0.60 C ATOM 763 CG PHE A 51 11.787 -0.186 -1.721 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.645 -1.420 -1.103 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.951 0.535 -1.512 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.646 -1.924 -0.295 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.954 0.036 -0.704 1.00 2.02 C ATOM 768 CZ PHE A 51 13.802 -1.195 -0.095 1.00 2.20 C ATOM 0 H PHE A 51 11.105 1.325 -4.865 1.00 0.49 H new ATOM 0 HA PHE A 51 11.111 -1.346 -3.821 1.00 0.51 H new ATOM 0 HB2 PHE A 51 10.923 1.394 -2.847 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.760 0.356 -2.046 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.742 -1.993 -1.255 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.076 1.497 -1.986 1.00 1.44 H new ATOM 0 HE1 PHE A 51 12.525 -2.887 0.180 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.857 0.608 -0.548 1.00 2.02 H new ATOM 0 HZ PHE A 51 14.586 -1.587 0.536 1.00 2.20 H new ATOM 778 N LEU A 52 8.332 0.011 -4.828 1.00 0.40 N ATOM 779 CA LEU A 52 6.926 -0.236 -5.100 1.00 0.43 C ATOM 780 C LEU A 52 6.764 -1.402 -6.060 1.00 0.44 C ATOM 781 O LEU A 52 5.671 -1.933 -6.222 1.00 0.50 O ATOM 782 CB LEU A 52 6.254 1.010 -5.679 1.00 0.55 C ATOM 783 CG LEU A 52 5.871 2.079 -4.658 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.192 3.249 -5.350 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.964 1.488 -3.592 1.00 1.15 C ATOM 0 H LEU A 52 8.702 0.858 -5.260 1.00 0.40 H new ATOM 0 HA LEU A 52 6.442 -0.485 -4.155 1.00 0.43 H new ATOM 0 HB2 LEU A 52 6.925 1.456 -6.413 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.355 0.703 -6.213 1.00 0.55 H new ATOM 0 HG LEU A 52 6.778 2.444 -4.175 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.924 4.004 -4.610 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.873 3.684 -6.082 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.291 2.900 -5.855 1.00 1.33 H new ATOM 0 HD21 LEU A 52 4.699 2.261 -2.871 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.058 1.101 -4.059 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.484 0.678 -3.081 1.00 1.15 H new ATOM 797 N ALA A 53 7.855 -1.805 -6.698 1.00 0.48 N ATOM 798 CA ALA A 53 7.805 -2.924 -7.627 1.00 0.59 C ATOM 799 C ALA A 53 7.222 -4.151 -6.937 1.00 0.60 C ATOM 800 O ALA A 53 6.817 -5.116 -7.586 1.00 0.76 O ATOM 801 CB ALA A 53 9.192 -3.226 -8.179 1.00 0.67 C ATOM 0 H ALA A 53 8.775 -1.379 -6.591 1.00 0.48 H new ATOM 0 HA ALA A 53 7.160 -2.655 -8.463 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.133 -4.066 -8.871 1.00 0.67 H new ATOM 0 HB2 ALA A 53 9.574 -2.350 -8.703 1.00 0.67 H new ATOM 0 HB3 ALA A 53 9.863 -3.479 -7.358 1.00 0.67 H new ATOM 807 N LYS A 54 7.188 -4.094 -5.610 1.00 0.51 N ATOM 808 CA LYS A 54 6.647 -5.174 -4.797 1.00 0.55 C ATOM 809 C LYS A 54 5.576 -4.645 -3.843 1.00 0.48 C ATOM 810 O LYS A 54 4.997 -5.398 -3.060 1.00 0.57 O ATOM 811 CB LYS A 54 7.772 -5.847 -4.011 1.00 0.62 C ATOM 812 CG LYS A 54 8.876 -6.404 -4.896 1.00 0.76 C ATOM 813 CD LYS A 54 10.014 -6.991 -4.075 1.00 0.94 C ATOM 814 CE LYS A 54 10.772 -5.914 -3.312 1.00 1.21 C ATOM 815 NZ LYS A 54 11.944 -6.471 -2.583 1.00 1.84 N ATOM 0 H LYS A 54 7.534 -3.300 -5.071 1.00 0.51 H new ATOM 0 HA LYS A 54 6.185 -5.909 -5.456 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.202 -5.126 -3.316 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.354 -6.656 -3.412 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.465 -7.173 -5.550 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.262 -5.612 -5.538 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.616 -7.723 -3.372 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.701 -7.522 -4.733 1.00 0.94 H new ATOM 0 HE2 LYS A 54 11.109 -5.145 -4.008 1.00 1.21 H new ATOM 0 HE3 LYS A 54 10.100 -5.430 -2.603 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 11.845 -6.277 -1.566 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.992 -7.499 -2.736 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 12.816 -6.028 -2.937 1.00 1.84 H new ATOM 829 N MET A 55 5.321 -3.340 -3.919 1.00 0.38 N ATOM 830 CA MET A 55 4.324 -2.688 -3.071 1.00 0.34 C ATOM 831 C MET A 55 3.390 -1.796 -3.895 1.00 0.33 C ATOM 832 O MET A 55 2.708 -0.931 -3.345 1.00 0.35 O ATOM 833 CB MET A 55 5.021 -1.845 -1.996 1.00 0.33 C ATOM 834 CG MET A 55 5.626 -2.655 -0.853 1.00 0.42 C ATOM 835 SD MET A 55 6.862 -1.724 0.073 1.00 1.95 S ATOM 836 CE MET A 55 7.752 -3.055 0.876 1.00 2.78 C ATOM 0 H MET A 55 5.795 -2.709 -4.565 1.00 0.38 H new ATOM 0 HA MET A 55 3.726 -3.467 -2.598 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.810 -1.258 -2.467 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.301 -1.138 -1.583 1.00 0.33 H new ATOM 0 HG2 MET A 55 4.832 -2.972 -0.177 1.00 0.42 H new ATOM 0 HG3 MET A 55 6.083 -3.560 -1.255 1.00 0.42 H new ATOM 0 HE1 MET A 55 8.209 -2.685 1.794 1.00 2.78 H new ATOM 0 HE2 MET A 55 7.061 -3.863 1.114 1.00 2.78 H new ATOM 0 HE3 MET A 55 8.529 -3.427 0.209 1.00 2.78 H new ATOM 846 N ARG A 56 3.357 -2.012 -5.211 1.00 0.37 N ATOM 847 CA ARG A 56 2.504 -1.215 -6.097 1.00 0.42 C ATOM 848 C ARG A 56 1.318 -2.035 -6.595 1.00 0.41 C ATOM 849 O ARG A 56 0.278 -1.484 -6.957 1.00 0.43 O ATOM 850 CB ARG A 56 3.311 -0.687 -7.294 1.00 0.54 C ATOM 851 CG ARG A 56 3.248 -1.578 -8.528 1.00 1.09 C ATOM 852 CD ARG A 56 4.612 -1.724 -9.179 1.00 1.35 C ATOM 853 NE ARG A 56 4.544 -2.485 -10.422 1.00 1.81 N ATOM 854 CZ ARG A 56 5.530 -2.535 -11.313 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.656 -1.864 -11.100 1.00 2.58 N ATOM 856 NH2 ARG A 56 5.391 -3.257 -12.416 1.00 3.05 N ATOM 0 H ARG A 56 3.907 -2.728 -5.686 1.00 0.37 H new ATOM 0 HA ARG A 56 2.126 -0.369 -5.523 1.00 0.42 H new ATOM 0 HB2 ARG A 56 2.944 0.305 -7.556 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.353 -0.573 -6.994 1.00 0.54 H new ATOM 0 HG2 ARG A 56 2.870 -2.561 -8.249 1.00 1.09 H new ATOM 0 HG3 ARG A 56 2.544 -1.158 -9.246 1.00 1.09 H new ATOM 0 HD2 ARG A 56 5.025 -0.736 -9.381 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.293 -2.219 -8.487 1.00 1.35 H new ATOM 0 HE ARG A 56 3.691 -3.009 -10.619 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.766 -1.309 -10.252 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.411 -1.904 -11.785 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.528 -3.774 -12.581 1.00 3.05 H new ATOM 0 HH22 ARG A 56 6.147 -3.295 -13.099 1.00 3.05 H new ATOM 870 N GLY A 57 1.490 -3.354 -6.614 1.00 0.43 N ATOM 871 CA GLY A 57 0.437 -4.239 -7.078 1.00 0.45 C ATOM 872 C GLY A 57 -0.883 -4.009 -6.371 1.00 0.39 C ATOM 873 O GLY A 57 -1.933 -4.439 -6.848 1.00 0.48 O ATOM 0 H GLY A 57 2.343 -3.826 -6.315 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.298 -4.099 -8.150 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.747 -5.273 -6.929 1.00 0.45 H new ATOM 877 N ILE A 58 -0.832 -3.330 -5.231 1.00 0.41 N ATOM 878 CA ILE A 58 -2.032 -3.047 -4.457 1.00 0.39 C ATOM 879 C ILE A 58 -2.508 -1.615 -4.690 1.00 0.40 C ATOM 880 O ILE A 58 -3.710 -1.351 -4.738 1.00 0.47 O ATOM 881 CB ILE A 58 -1.800 -3.273 -2.948 1.00 0.42 C ATOM 882 CG1 ILE A 58 -1.506 -4.749 -2.662 1.00 0.53 C ATOM 883 CG2 ILE A 58 -3.011 -2.812 -2.150 1.00 0.43 C ATOM 884 CD1 ILE A 58 -0.101 -5.175 -3.035 1.00 0.71 C ATOM 0 H ILE A 58 0.029 -2.965 -4.823 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.801 -3.740 -4.798 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.936 -2.684 -2.642 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.665 -4.943 -1.601 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -2.220 -5.365 -3.209 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.832 -2.978 -1.088 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.181 -1.750 -2.328 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.889 -3.377 -2.462 1.00 0.43 H new ATOM 0 HD11 ILE A 58 0.032 -6.232 -2.804 1.00 0.71 H new ATOM 0 HD12 ILE A 58 0.057 -5.014 -4.101 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.620 -4.586 -2.469 1.00 0.71 H new ATOM 896 N LEU A 59 -1.559 -0.693 -4.834 1.00 0.44 N ATOM 897 CA LEU A 59 -1.883 0.711 -5.064 1.00 0.49 C ATOM 898 C LEU A 59 -2.718 0.866 -6.330 1.00 0.52 C ATOM 899 O LEU A 59 -3.780 1.486 -6.311 1.00 0.56 O ATOM 900 CB LEU A 59 -0.594 1.547 -5.157 1.00 0.58 C ATOM 901 CG LEU A 59 -0.770 3.049 -5.442 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.920 3.306 -6.936 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.961 3.617 -4.680 1.00 1.71 C ATOM 0 H LEU A 59 -0.560 -0.894 -4.795 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.471 1.076 -4.222 1.00 0.49 H new ATOM 0 HB2 LEU A 59 -0.049 1.439 -4.219 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.033 1.122 -5.941 1.00 0.58 H new ATOM 0 HG LEU A 59 0.129 3.559 -5.095 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.043 4.375 -7.111 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.030 2.953 -7.457 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.795 2.774 -7.311 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -2.061 4.680 -4.901 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.869 3.096 -4.984 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.806 3.482 -3.610 1.00 1.71 H new ATOM 915 N LYS A 60 -2.231 0.298 -7.426 1.00 0.59 N ATOM 916 CA LYS A 60 -2.931 0.368 -8.703 1.00 0.68 C ATOM 917 C LYS A 60 -4.285 -0.336 -8.624 1.00 0.65 C ATOM 918 O LYS A 60 -5.226 0.020 -9.334 1.00 0.74 O ATOM 919 CB LYS A 60 -2.064 -0.258 -9.803 1.00 0.80 C ATOM 920 CG LYS A 60 -2.790 -0.472 -11.124 1.00 0.92 C ATOM 921 CD LYS A 60 -3.389 -1.869 -11.214 1.00 1.07 C ATOM 922 CE LYS A 60 -2.310 -2.934 -11.350 1.00 1.10 C ATOM 923 NZ LYS A 60 -1.489 -2.740 -12.577 1.00 1.60 N ATOM 0 H LYS A 60 -1.352 -0.218 -7.456 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.113 1.415 -8.944 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -1.199 0.382 -9.976 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.685 -1.217 -9.450 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.580 0.271 -11.230 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.096 -0.319 -11.950 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.986 -2.067 -10.324 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -4.063 -1.922 -12.069 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.663 -2.909 -10.473 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.774 -3.920 -11.376 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.984 -3.622 -12.800 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -2.109 -2.485 -13.373 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -0.800 -1.978 -12.417 1.00 1.60 H new ATOM 937 N SER A 61 -4.376 -1.331 -7.751 1.00 0.55 N ATOM 938 CA SER A 61 -5.607 -2.097 -7.580 1.00 0.55 C ATOM 939 C SER A 61 -6.709 -1.274 -6.917 1.00 0.57 C ATOM 940 O SER A 61 -7.845 -1.255 -7.386 1.00 0.71 O ATOM 941 CB SER A 61 -5.332 -3.347 -6.742 1.00 0.51 C ATOM 942 OG SER A 61 -4.479 -4.245 -7.428 1.00 1.20 O ATOM 0 H SER A 61 -3.609 -1.628 -7.147 1.00 0.55 H new ATOM 0 HA SER A 61 -5.953 -2.380 -8.574 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.876 -3.060 -5.795 1.00 0.51 H new ATOM 0 HB3 SER A 61 -6.273 -3.844 -6.505 1.00 0.51 H new ATOM 0 HG SER A 61 -3.566 -4.158 -7.082 1.00 1.20 H new ATOM 948 N ILE A 62 -6.371 -0.603 -5.825 1.00 0.50 N ATOM 949 CA ILE A 62 -7.342 0.195 -5.081 1.00 0.56 C ATOM 950 C ILE A 62 -7.533 1.596 -5.666 1.00 0.64 C ATOM 951 O ILE A 62 -8.588 2.206 -5.494 1.00 0.70 O ATOM 952 CB ILE A 62 -6.921 0.328 -3.604 1.00 0.55 C ATOM 953 CG1 ILE A 62 -6.662 -1.055 -3.000 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.987 1.070 -2.809 1.00 0.65 C ATOM 955 CD1 ILE A 62 -6.113 -1.012 -1.590 1.00 0.79 C ATOM 0 H ILE A 62 -5.430 -0.594 -5.432 1.00 0.50 H new ATOM 0 HA ILE A 62 -8.291 -0.336 -5.158 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.997 0.905 -3.556 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -7.593 -1.622 -3.000 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.961 -1.594 -3.637 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -7.672 1.154 -1.769 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -8.126 2.067 -3.228 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.927 0.521 -2.860 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.955 -2.029 -1.230 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -5.165 -0.474 -1.585 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -6.823 -0.502 -0.939 1.00 0.79 H new ATOM 967 N ALA A 63 -6.518 2.104 -6.354 1.00 0.68 N ATOM 968 CA ALA A 63 -6.584 3.452 -6.916 1.00 0.79 C ATOM 969 C ALA A 63 -7.325 3.518 -8.250 1.00 0.84 C ATOM 970 O ALA A 63 -8.355 4.183 -8.359 1.00 0.90 O ATOM 971 CB ALA A 63 -5.183 4.023 -7.070 1.00 0.88 C ATOM 0 H ALA A 63 -5.645 1.610 -6.537 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.159 4.053 -6.211 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.243 5.027 -7.489 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.698 4.066 -6.095 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.602 3.386 -7.737 1.00 0.88 H new ATOM 977 N SER A 64 -6.802 2.836 -9.264 1.00 0.88 N ATOM 978 CA SER A 64 -7.407 2.870 -10.594 1.00 1.00 C ATOM 979 C SER A 64 -8.593 1.917 -10.727 1.00 0.96 C ATOM 980 O SER A 64 -9.385 2.041 -11.662 1.00 1.11 O ATOM 981 CB SER A 64 -6.359 2.543 -11.659 1.00 1.13 C ATOM 982 OG SER A 64 -5.878 1.218 -11.518 1.00 1.56 O ATOM 0 H SER A 64 -5.966 2.256 -9.193 1.00 0.88 H new ATOM 0 HA SER A 64 -7.786 3.881 -10.743 1.00 1.00 H new ATOM 0 HB2 SER A 64 -6.793 2.671 -12.651 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.528 3.244 -11.582 1.00 1.13 H new ATOM 0 HG SER A 64 -6.039 0.907 -10.603 1.00 1.56 H new ATOM 988 N ALA A 65 -8.722 0.972 -9.803 1.00 0.84 N ATOM 989 CA ALA A 65 -9.820 0.013 -9.866 1.00 0.84 C ATOM 990 C ALA A 65 -10.679 0.031 -8.603 1.00 0.75 C ATOM 991 O ALA A 65 -11.897 -0.125 -8.678 1.00 0.82 O ATOM 992 CB ALA A 65 -9.280 -1.386 -10.117 1.00 0.83 C ATOM 0 H ALA A 65 -8.090 0.849 -9.012 1.00 0.84 H new ATOM 0 HA ALA A 65 -10.462 0.309 -10.696 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -10.108 -2.093 -10.162 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.737 -1.402 -11.062 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.607 -1.667 -9.307 1.00 0.83 H new ATOM 998 N ASP A 66 -10.044 0.226 -7.451 1.00 0.65 N ATOM 999 CA ASP A 66 -10.760 0.243 -6.177 1.00 0.65 C ATOM 1000 C ASP A 66 -11.504 -1.073 -5.976 1.00 0.66 C ATOM 1001 O ASP A 66 -12.665 -1.211 -6.365 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.739 1.418 -6.117 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.468 1.495 -4.791 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -11.933 2.128 -3.856 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.575 0.925 -4.687 1.00 1.53 O ATOM 0 H ASP A 66 -9.038 0.374 -7.372 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.031 0.365 -5.376 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.196 2.348 -6.285 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.466 1.323 -6.923 1.00 0.75 H new ATOM 1010 N MET A 67 -10.822 -2.037 -5.369 1.00 0.55 N ATOM 1011 CA MET A 67 -11.398 -3.353 -5.130 1.00 0.55 C ATOM 1012 C MET A 67 -11.957 -3.471 -3.715 1.00 0.65 C ATOM 1013 O MET A 67 -11.942 -2.510 -2.946 1.00 0.81 O ATOM 1014 CB MET A 67 -10.338 -4.428 -5.364 1.00 0.49 C ATOM 1015 CG MET A 67 -9.648 -4.308 -6.714 1.00 0.49 C ATOM 1016 SD MET A 67 -10.773 -4.592 -8.094 1.00 1.00 S ATOM 1017 CE MET A 67 -11.225 -6.302 -7.815 1.00 1.52 C ATOM 0 H MET A 67 -9.865 -1.930 -5.032 1.00 0.55 H new ATOM 0 HA MET A 67 -12.224 -3.493 -5.827 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.589 -4.368 -4.574 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.804 -5.411 -5.288 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.209 -3.315 -6.806 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.829 -5.025 -6.764 1.00 0.49 H new ATOM 0 HE1 MET A 67 -11.580 -6.741 -8.747 1.00 1.52 H new ATOM 0 HE2 MET A 67 -10.355 -6.855 -7.461 1.00 1.52 H new ATOM 0 HE3 MET A 67 -12.016 -6.352 -7.066 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.448 -4.662 -3.385 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.014 -4.923 -2.066 1.00 0.77 C ATOM 1029 C ASP A 68 -12.357 -6.147 -1.432 1.00 0.67 C ATOM 1030 O ASP A 68 -11.240 -6.520 -1.793 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.527 -5.134 -2.176 1.00 1.02 C ATOM 1032 CG ASP A 68 -14.892 -6.198 -3.192 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.059 -5.852 -4.379 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -15.011 -7.377 -2.799 1.00 1.91 O ATOM 0 H ASP A 68 -12.465 -5.464 -4.015 1.00 0.64 H new ATOM 0 HA ASP A 68 -12.821 -4.060 -1.429 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.923 -5.416 -1.201 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.003 -4.193 -2.453 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.053 -6.766 -0.483 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.531 -7.945 0.198 1.00 0.83 C ATOM 1041 C PHE A 69 -12.712 -9.195 -0.658 1.00 0.99 C ATOM 1042 O PHE A 69 -13.486 -9.197 -1.614 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.224 -8.130 1.551 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.721 -8.226 1.452 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.507 -7.085 1.512 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.342 -9.455 1.299 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -16.883 -7.170 1.420 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.718 -9.545 1.206 1.00 2.52 C ATOM 1049 CZ PHE A 69 -17.489 -8.401 1.267 1.00 3.05 C ATOM 0 H PHE A 69 -13.978 -6.471 -0.169 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.464 -7.794 0.364 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.841 -9.033 2.026 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -12.964 -7.294 2.200 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.038 -6.119 1.632 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -14.744 -10.353 1.252 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.484 -6.274 1.468 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.190 -10.509 1.086 1.00 2.52 H new ATOM 0 HZ PHE A 69 -18.564 -8.469 1.195 1.00 3.05 H new ATOM 1059 N ASN A 70 -11.989 -10.255 -0.302 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.059 -11.520 -1.027 1.00 0.89 C ATOM 1061 C ASN A 70 -11.669 -11.349 -2.494 1.00 0.83 C ATOM 1062 O ASN A 70 -11.830 -12.267 -3.298 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.462 -12.107 -0.927 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.728 -12.743 0.423 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -12.811 -13.230 1.084 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -14.989 -12.742 0.838 1.00 2.40 N ATOM 0 H ASN A 70 -11.345 -10.261 0.489 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.346 -12.205 -0.567 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.195 -11.321 -1.106 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.597 -12.853 -1.710 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -15.230 -13.156 1.738 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -15.717 -12.327 0.257 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.156 -10.172 -2.834 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.736 -9.887 -4.200 1.00 0.68 C ATOM 1075 C GLN A 71 -9.238 -9.615 -4.249 1.00 0.58 C ATOM 1076 O GLN A 71 -8.548 -10.034 -5.178 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.510 -8.691 -4.759 1.00 0.74 C ATOM 1078 CG GLN A 71 -13.015 -8.912 -4.817 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.399 -10.087 -5.697 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.707 -10.408 -6.662 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.511 -10.735 -5.366 1.00 1.90 N ATOM 0 H GLN A 71 -11.021 -9.400 -2.182 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.952 -10.760 -4.816 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.303 -7.815 -4.144 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -11.145 -8.469 -5.762 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.393 -9.079 -3.808 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.497 -8.009 -5.192 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.055 -10.434 -4.557 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.821 -11.533 -5.921 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.743 -8.909 -3.237 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.326 -8.585 -3.149 1.00 0.39 C ATOM 1092 C LEU A 72 -6.561 -9.672 -2.401 1.00 0.41 C ATOM 1093 O LEU A 72 -5.373 -9.886 -2.642 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.126 -7.248 -2.433 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.618 -6.011 -3.175 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.370 -4.776 -2.328 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.928 -5.882 -4.525 1.00 1.06 C ATOM 0 H LEU A 72 -9.305 -8.550 -2.465 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.940 -8.516 -4.166 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.634 -7.295 -1.470 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.063 -7.125 -2.227 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.689 -6.110 -3.355 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.723 -3.893 -2.861 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -7.907 -4.869 -1.384 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.302 -4.679 -2.131 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.294 -4.992 -5.037 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.851 -5.798 -4.377 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.143 -6.763 -5.129 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.253 -10.348 -1.487 1.00 0.49 N ATOM 1110 CA GLU A 73 -6.646 -11.405 -0.680 1.00 0.57 C ATOM 1111 C GLU A 73 -5.860 -12.394 -1.538 1.00 0.59 C ATOM 1112 O GLU A 73 -4.697 -12.683 -1.258 1.00 0.68 O ATOM 1113 CB GLU A 73 -7.723 -12.146 0.114 1.00 0.67 C ATOM 1114 CG GLU A 73 -7.168 -13.212 1.046 1.00 0.75 C ATOM 1115 CD GLU A 73 -6.193 -12.649 2.061 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -6.652 -12.068 3.068 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -4.970 -12.790 1.852 1.00 2.25 O ATOM 0 H GLU A 73 -8.239 -10.182 -1.286 1.00 0.49 H new ATOM 0 HA GLU A 73 -5.946 -10.932 0.008 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -8.292 -11.424 0.700 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -8.420 -12.612 -0.583 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.992 -13.696 1.569 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -6.669 -13.981 0.456 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.501 -12.907 -2.582 1.00 0.62 N ATOM 1125 CA ALA A 74 -5.862 -13.872 -3.471 1.00 0.70 C ATOM 1126 C ALA A 74 -4.668 -13.260 -4.202 1.00 0.57 C ATOM 1127 O ALA A 74 -3.761 -13.974 -4.627 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.872 -14.412 -4.472 1.00 0.89 C ATOM 0 H ALA A 74 -7.461 -12.672 -2.834 1.00 0.62 H new ATOM 0 HA ALA A 74 -5.490 -14.693 -2.858 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.384 -15.131 -5.130 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.686 -14.903 -3.939 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.271 -13.590 -5.066 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.672 -11.938 -4.342 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.587 -11.242 -5.029 1.00 0.46 C ATOM 1136 C PHE A 75 -2.348 -11.121 -4.146 1.00 0.38 C ATOM 1137 O PHE A 75 -1.225 -11.274 -4.623 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.042 -9.854 -5.485 1.00 0.55 C ATOM 1139 CG PHE A 75 -2.936 -9.024 -6.072 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.550 -9.197 -7.391 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.287 -8.068 -5.306 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.537 -8.432 -7.936 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.273 -7.302 -5.846 1.00 0.82 C ATOM 1144 CZ PHE A 75 -0.883 -7.496 -7.157 1.00 0.91 C ATOM 0 H PHE A 75 -5.411 -11.328 -3.991 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.321 -11.836 -5.904 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.834 -9.965 -6.225 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.472 -9.324 -4.635 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.046 -9.938 -8.000 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.578 -7.921 -4.276 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.256 -8.565 -8.970 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.785 -6.551 -5.243 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.070 -6.918 -7.572 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.552 -10.839 -2.865 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.439 -10.698 -1.933 1.00 0.36 C ATOM 1156 C LEU A 76 -0.623 -11.986 -1.872 1.00 0.40 C ATOM 1157 O LEU A 76 0.604 -11.951 -1.774 1.00 0.60 O ATOM 1158 CB LEU A 76 -1.951 -10.328 -0.540 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.020 -9.435 0.291 1.00 0.55 C ATOM 1160 CD1 LEU A 76 0.344 -10.082 0.470 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -0.876 -8.066 -0.353 1.00 0.80 C ATOM 0 H LEU A 76 -3.473 -10.704 -2.449 1.00 0.33 H new ATOM 0 HA LEU A 76 -0.793 -9.896 -2.291 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -2.910 -9.822 -0.647 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.136 -11.247 0.016 1.00 0.43 H new ATOM 0 HG LEU A 76 -1.468 -9.311 1.277 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.983 -9.427 1.063 1.00 0.82 H new ATOM 0 HD12 LEU A 76 0.229 -11.037 0.982 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.800 -10.246 -0.506 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.212 -7.448 0.251 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.458 -8.177 -1.354 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.854 -7.590 -0.419 1.00 0.80 H new ATOM 1173 N THR A 77 -1.311 -13.121 -1.929 1.00 0.41 N ATOM 1174 CA THR A 77 -0.649 -14.419 -1.890 1.00 0.49 C ATOM 1175 C THR A 77 0.401 -14.516 -2.991 1.00 0.47 C ATOM 1176 O THR A 77 1.339 -15.310 -2.905 1.00 0.53 O ATOM 1177 CB THR A 77 -1.661 -15.569 -2.052 1.00 0.63 C ATOM 1178 OG1 THR A 77 -2.765 -15.380 -1.158 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.007 -16.915 -1.771 1.00 0.71 C ATOM 0 H THR A 77 -2.327 -13.168 -2.002 1.00 0.41 H new ATOM 0 HA THR A 77 -0.168 -14.511 -0.916 1.00 0.49 H new ATOM 0 HB THR A 77 -2.017 -15.563 -3.082 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.405 -16.114 -1.268 1.00 0.73 H new ATOM 0 HG21 THR A 77 -1.743 -17.710 -1.892 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.185 -17.073 -2.469 1.00 0.71 H new ATOM 0 HG23 THR A 77 -0.624 -16.928 -0.750 1.00 0.71 H new ATOM 1187 N ALA A 78 0.233 -13.698 -4.027 1.00 0.45 N ATOM 1188 CA ALA A 78 1.160 -13.680 -5.149 1.00 0.52 C ATOM 1189 C ALA A 78 2.433 -12.916 -4.798 1.00 0.53 C ATOM 1190 O ALA A 78 3.517 -13.242 -5.283 1.00 0.67 O ATOM 1191 CB ALA A 78 0.490 -13.071 -6.374 1.00 0.60 C ATOM 0 H ALA A 78 -0.540 -13.038 -4.110 1.00 0.45 H new ATOM 0 HA ALA A 78 1.441 -14.708 -5.377 1.00 0.52 H new ATOM 0 HB1 ALA A 78 1.193 -13.063 -7.207 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -0.384 -13.664 -6.643 1.00 0.60 H new ATOM 0 HB3 ALA A 78 0.181 -12.050 -6.150 1.00 0.60 H new ATOM 1197 N GLN A 79 2.298 -11.897 -3.953 1.00 0.47 N ATOM 1198 CA GLN A 79 3.442 -11.095 -3.535 1.00 0.53 C ATOM 1199 C GLN A 79 4.342 -11.881 -2.590 1.00 0.54 C ATOM 1200 O GLN A 79 5.462 -11.463 -2.296 1.00 1.06 O ATOM 1201 CB GLN A 79 2.980 -9.814 -2.841 1.00 0.56 C ATOM 1202 CG GLN A 79 2.176 -8.887 -3.733 1.00 0.96 C ATOM 1203 CD GLN A 79 2.391 -7.425 -3.390 1.00 1.23 C ATOM 1204 OE1 GLN A 79 2.309 -6.554 -4.256 1.00 2.20 O ATOM 1205 NE2 GLN A 79 2.672 -7.147 -2.120 1.00 0.61 N ATOM 0 H GLN A 79 1.409 -11.608 -3.545 1.00 0.47 H new ATOM 0 HA GLN A 79 4.006 -10.836 -4.431 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.377 -10.080 -1.973 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.854 -9.278 -2.470 1.00 0.56 H new ATOM 0 HG2 GLN A 79 2.453 -9.058 -4.773 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.117 -9.127 -3.641 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.730 -7.900 -1.434 1.00 0.61 H new ATOM 0 HE22 GLN A 79 2.829 -6.181 -1.832 1.00 0.61 H new ATOM 1214 N THR A 80 3.846 -13.018 -2.118 1.00 0.63 N ATOM 1215 CA THR A 80 4.603 -13.855 -1.196 1.00 0.65 C ATOM 1216 C THR A 80 5.095 -15.126 -1.879 1.00 0.64 C ATOM 1217 O THR A 80 6.043 -15.762 -1.418 1.00 0.73 O ATOM 1218 CB THR A 80 3.753 -14.239 0.029 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.594 -14.969 -0.387 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.326 -12.998 0.801 1.00 0.44 C ATOM 0 H THR A 80 2.924 -13.381 -2.358 1.00 0.63 H new ATOM 0 HA THR A 80 5.463 -13.271 -0.869 1.00 0.65 H new ATOM 0 HB THR A 80 4.360 -14.865 0.683 1.00 0.77 H new ATOM 0 HG1 THR A 80 2.551 -14.984 -1.366 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.727 -13.294 1.662 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.210 -12.459 1.142 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.735 -12.351 0.152 1.00 0.44 H new ATOM 1228 N LYS A 81 4.446 -15.490 -2.980 1.00 0.68 N ATOM 1229 CA LYS A 81 4.818 -16.688 -3.725 1.00 0.71 C ATOM 1230 C LYS A 81 5.781 -16.359 -4.860 1.00 0.69 C ATOM 1231 O LYS A 81 6.079 -17.212 -5.697 1.00 0.81 O ATOM 1232 CB LYS A 81 3.570 -17.376 -4.278 1.00 0.76 C ATOM 1233 CG LYS A 81 2.748 -18.087 -3.215 1.00 1.54 C ATOM 1234 CD LYS A 81 1.529 -18.769 -3.815 1.00 1.55 C ATOM 1235 CE LYS A 81 0.832 -19.657 -2.797 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.374 -20.316 -3.369 1.00 3.02 N ATOM 0 H LYS A 81 3.661 -14.973 -3.376 1.00 0.68 H new ATOM 0 HA LYS A 81 5.325 -17.365 -3.038 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.945 -16.633 -4.773 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.869 -18.098 -5.038 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.368 -18.827 -2.709 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.429 -17.369 -2.460 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.832 -18.015 -4.180 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.831 -19.367 -4.675 1.00 1.55 H new ATOM 0 HE2 LYS A 81 1.527 -20.418 -2.442 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.544 -19.060 -1.932 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.821 -20.913 -2.644 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.049 -19.591 -3.685 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.096 -20.906 -4.179 1.00 3.02 H new ATOM 1250 N LYS A 82 6.268 -15.122 -4.886 1.00 0.66 N ATOM 1251 CA LYS A 82 7.204 -14.696 -5.921 1.00 0.74 C ATOM 1252 C LYS A 82 8.637 -14.756 -5.405 1.00 0.78 C ATOM 1253 O LYS A 82 8.886 -15.196 -4.283 1.00 0.83 O ATOM 1254 CB LYS A 82 6.884 -13.272 -6.389 1.00 0.72 C ATOM 1255 CG LYS A 82 7.188 -12.203 -5.353 1.00 0.67 C ATOM 1256 CD LYS A 82 7.215 -10.814 -5.974 1.00 0.77 C ATOM 1257 CE LYS A 82 5.818 -10.322 -6.312 1.00 0.76 C ATOM 1258 NZ LYS A 82 5.848 -9.056 -7.093 1.00 1.09 N ATOM 0 H LYS A 82 6.031 -14.400 -4.206 1.00 0.66 H new ATOM 0 HA LYS A 82 7.102 -15.376 -6.766 1.00 0.74 H new ATOM 0 HB2 LYS A 82 7.454 -13.060 -7.294 1.00 0.72 H new ATOM 0 HB3 LYS A 82 5.829 -13.216 -6.656 1.00 0.72 H new ATOM 0 HG2 LYS A 82 6.436 -12.235 -4.564 1.00 0.67 H new ATOM 0 HG3 LYS A 82 8.150 -12.412 -4.885 1.00 0.67 H new ATOM 0 HD2 LYS A 82 7.689 -10.116 -5.284 1.00 0.77 H new ATOM 0 HD3 LYS A 82 7.823 -10.831 -6.878 1.00 0.77 H new ATOM 0 HE2 LYS A 82 5.292 -11.088 -6.882 1.00 0.76 H new ATOM 0 HE3 LYS A 82 5.255 -10.167 -5.391 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.875 -8.755 -7.303 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 6.327 -8.318 -6.539 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 6.363 -9.210 -7.984 1.00 1.09 H new ATOM 1272 N GLN A 83 9.575 -14.310 -6.233 1.00 0.87 N ATOM 1273 CA GLN A 83 10.983 -14.305 -5.859 1.00 0.96 C ATOM 1274 C GLN A 83 11.427 -12.904 -5.462 1.00 0.80 C ATOM 1275 O GLN A 83 11.144 -11.931 -6.162 1.00 0.80 O ATOM 1276 CB GLN A 83 11.844 -14.820 -7.012 1.00 1.22 C ATOM 1277 CG GLN A 83 11.609 -14.087 -8.324 1.00 1.37 C ATOM 1278 CD GLN A 83 12.435 -14.652 -9.462 1.00 1.96 C ATOM 1279 OE1 GLN A 83 12.003 -15.568 -10.163 1.00 2.49 O ATOM 1280 NE2 GLN A 83 13.631 -14.108 -9.655 1.00 2.57 N ATOM 0 H GLN A 83 9.385 -13.947 -7.167 1.00 0.87 H new ATOM 0 HA GLN A 83 11.110 -14.967 -5.002 1.00 0.96 H new ATOM 0 HB2 GLN A 83 12.895 -14.729 -6.738 1.00 1.22 H new ATOM 0 HB3 GLN A 83 11.644 -15.881 -7.158 1.00 1.22 H new ATOM 0 HG2 GLN A 83 10.552 -14.144 -8.584 1.00 1.37 H new ATOM 0 HG3 GLN A 83 11.849 -13.032 -8.195 1.00 1.37 H new ATOM 0 HE21 GLN A 83 13.950 -13.351 -9.051 1.00 2.57 H new ATOM 0 HE22 GLN A 83 14.230 -14.447 -10.407 1.00 2.57 H new ATOM 1289 N GLY A 84 12.124 -12.806 -4.335 1.00 0.98 N ATOM 1290 CA GLY A 84 12.591 -11.517 -3.863 1.00 1.14 C ATOM 1291 C GLY A 84 11.447 -10.586 -3.513 1.00 1.22 C ATOM 1292 O GLY A 84 11.650 -9.386 -3.331 1.00 2.05 O ATOM 0 H GLY A 84 12.373 -13.596 -3.741 1.00 0.98 H new ATOM 0 HA2 GLY A 84 13.222 -11.660 -2.986 1.00 1.14 H new ATOM 0 HA3 GLY A 84 13.212 -11.054 -4.630 1.00 1.14 H new ATOM 1296 N GLY A 85 10.242 -11.145 -3.421 1.00 0.69 N ATOM 1297 CA GLY A 85 9.070 -10.355 -3.090 1.00 0.69 C ATOM 1298 C GLY A 85 9.120 -9.795 -1.683 1.00 0.66 C ATOM 1299 O GLY A 85 10.089 -9.137 -1.302 1.00 0.91 O ATOM 0 H GLY A 85 10.057 -12.137 -3.571 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.978 -9.533 -3.800 1.00 0.69 H new ATOM 0 HA3 GLY A 85 8.178 -10.972 -3.199 1.00 0.69 H new ATOM 1303 N ILE A 86 8.071 -10.055 -0.909 1.00 0.49 N ATOM 1304 CA ILE A 86 7.999 -9.571 0.460 1.00 0.48 C ATOM 1305 C ILE A 86 7.870 -10.731 1.444 1.00 0.50 C ATOM 1306 O ILE A 86 7.558 -11.857 1.053 1.00 0.53 O ATOM 1307 CB ILE A 86 6.816 -8.598 0.640 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.483 -9.345 0.535 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.896 -7.493 -0.406 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.278 -8.492 0.873 1.00 0.45 C ATOM 0 H ILE A 86 7.261 -10.598 -1.209 1.00 0.49 H new ATOM 0 HA ILE A 86 8.926 -9.037 0.669 1.00 0.48 H new ATOM 0 HB ILE A 86 6.874 -8.150 1.632 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.371 -9.730 -0.479 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.506 -10.206 1.203 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.059 -6.807 -0.276 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.833 -6.948 -0.289 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.854 -7.932 -1.403 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.371 -9.089 0.776 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.366 -8.128 1.897 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.229 -7.644 0.189 1.00 0.45 H new ATOM 1322 N THR A 87 8.116 -10.450 2.720 1.00 0.52 N ATOM 1323 CA THR A 87 8.039 -11.473 3.758 1.00 0.57 C ATOM 1324 C THR A 87 6.632 -11.588 4.331 1.00 0.51 C ATOM 1325 O THR A 87 5.708 -10.911 3.880 1.00 0.48 O ATOM 1326 CB THR A 87 9.022 -11.179 4.907 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.730 -9.900 5.484 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.459 -11.198 4.407 1.00 1.27 C ATOM 0 H THR A 87 8.370 -9.523 3.060 1.00 0.52 H new ATOM 0 HA THR A 87 8.308 -12.417 3.283 1.00 0.57 H new ATOM 0 HB THR A 87 8.907 -11.955 5.664 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.120 -9.849 6.382 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.135 -10.988 5.236 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.687 -12.180 3.992 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.585 -10.440 3.634 1.00 1.27 H new ATOM 1336 N SER A 88 6.479 -12.453 5.329 1.00 0.56 N ATOM 1337 CA SER A 88 5.188 -12.663 5.972 1.00 0.53 C ATOM 1338 C SER A 88 4.783 -11.438 6.786 1.00 0.48 C ATOM 1339 O SER A 88 3.627 -11.020 6.758 1.00 0.48 O ATOM 1340 CB SER A 88 5.241 -13.897 6.870 1.00 0.62 C ATOM 1341 OG SER A 88 4.000 -14.110 7.520 1.00 1.53 O ATOM 0 H SER A 88 7.236 -13.021 5.710 1.00 0.56 H new ATOM 0 HA SER A 88 4.440 -12.822 5.195 1.00 0.53 H new ATOM 0 HB2 SER A 88 5.498 -14.773 6.274 1.00 0.62 H new ATOM 0 HB3 SER A 88 6.028 -13.775 7.614 1.00 0.62 H new ATOM 0 HG SER A 88 4.060 -14.907 8.087 1.00 1.53 H new ATOM 1347 N ASP A 89 5.743 -10.870 7.512 1.00 0.51 N ATOM 1348 CA ASP A 89 5.483 -9.688 8.328 1.00 0.51 C ATOM 1349 C ASP A 89 5.073 -8.515 7.445 1.00 0.44 C ATOM 1350 O ASP A 89 4.373 -7.603 7.887 1.00 0.45 O ATOM 1351 CB ASP A 89 6.720 -9.319 9.150 1.00 0.59 C ATOM 1352 CG ASP A 89 7.936 -9.056 8.285 1.00 1.48 C ATOM 1353 OD1 ASP A 89 8.030 -7.948 7.715 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.795 -9.956 8.176 1.00 2.34 O ATOM 0 H ASP A 89 6.705 -11.208 7.552 1.00 0.51 H new ATOM 0 HA ASP A 89 4.666 -9.917 9.012 1.00 0.51 H new ATOM 0 HB2 ASP A 89 6.504 -8.433 9.747 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.942 -10.126 9.848 1.00 0.59 H new ATOM 1359 N GLN A 90 5.517 -8.549 6.191 1.00 0.44 N ATOM 1360 CA GLN A 90 5.197 -7.500 5.231 1.00 0.42 C ATOM 1361 C GLN A 90 3.826 -7.739 4.612 1.00 0.39 C ATOM 1362 O GLN A 90 3.059 -6.803 4.394 1.00 0.52 O ATOM 1363 CB GLN A 90 6.261 -7.445 4.133 1.00 0.49 C ATOM 1364 CG GLN A 90 7.559 -6.792 4.576 1.00 0.59 C ATOM 1365 CD GLN A 90 8.554 -6.644 3.442 1.00 0.75 C ATOM 1366 OE1 GLN A 90 9.376 -7.527 3.203 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.484 -5.520 2.737 1.00 0.91 N ATOM 0 H GLN A 90 6.102 -9.296 5.816 1.00 0.44 H new ATOM 0 HA GLN A 90 5.180 -6.547 5.759 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.472 -8.459 3.792 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.862 -6.898 3.279 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.342 -5.809 4.995 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.007 -7.386 5.372 1.00 0.59 H new ATOM 0 HE21 GLN A 90 7.786 -4.814 2.971 1.00 0.91 H new ATOM 0 HE22 GLN A 90 9.129 -5.363 1.962 1.00 0.91 H new ATOM 1376 N ALA A 91 3.525 -9.003 4.341 1.00 0.37 N ATOM 1377 CA ALA A 91 2.252 -9.378 3.742 1.00 0.37 C ATOM 1378 C ALA A 91 1.123 -9.345 4.765 1.00 0.34 C ATOM 1379 O ALA A 91 -0.048 -9.270 4.403 1.00 0.40 O ATOM 1380 CB ALA A 91 2.356 -10.761 3.123 1.00 0.45 C ATOM 0 H ALA A 91 4.149 -9.788 4.528 1.00 0.37 H new ATOM 0 HA ALA A 91 2.019 -8.651 2.964 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.399 -11.033 2.677 1.00 0.45 H new ATOM 0 HB2 ALA A 91 3.127 -10.758 2.353 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.616 -11.486 3.894 1.00 0.45 H new ATOM 1386 N ALA A 92 1.481 -9.400 6.041 1.00 0.31 N ATOM 1387 CA ALA A 92 0.492 -9.392 7.113 1.00 0.33 C ATOM 1388 C ALA A 92 -0.246 -8.062 7.200 1.00 0.28 C ATOM 1389 O ALA A 92 -1.438 -8.030 7.496 1.00 0.34 O ATOM 1390 CB ALA A 92 1.150 -9.714 8.443 1.00 0.40 C ATOM 0 H ALA A 92 2.449 -9.451 6.360 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.244 -10.161 6.880 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.399 -9.704 9.233 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.610 -10.701 8.392 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.915 -8.968 8.661 1.00 0.40 H new ATOM 1396 N VAL A 93 0.460 -6.964 6.945 1.00 0.26 N ATOM 1397 CA VAL A 93 -0.150 -5.639 7.012 1.00 0.30 C ATOM 1398 C VAL A 93 -0.816 -5.260 5.689 1.00 0.28 C ATOM 1399 O VAL A 93 -1.867 -4.620 5.678 1.00 0.35 O ATOM 1400 CB VAL A 93 0.882 -4.559 7.418 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.065 -3.515 6.325 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.466 -3.901 8.724 1.00 0.55 C ATOM 0 H VAL A 93 1.448 -6.964 6.692 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.920 -5.684 7.782 1.00 0.30 H new ATOM 0 HB VAL A 93 1.844 -5.052 7.560 1.00 0.41 H new ATOM 0 HG11 VAL A 93 1.797 -2.775 6.648 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.417 -4.000 5.414 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.113 -3.022 6.129 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.199 -3.143 8.999 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.511 -3.433 8.601 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.410 -4.655 9.510 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.201 -5.650 4.576 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.752 -5.341 3.262 1.00 0.25 C ATOM 1414 C ILE A 94 -2.003 -6.170 2.994 1.00 0.25 C ATOM 1415 O ILE A 94 -2.934 -5.702 2.351 1.00 0.28 O ATOM 1416 CB ILE A 94 0.276 -5.579 2.138 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.608 -4.908 2.481 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.255 -5.045 0.816 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.713 -5.214 1.493 1.00 0.52 C ATOM 0 H ILE A 94 0.672 -6.177 4.558 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.013 -4.283 3.266 1.00 0.25 H new ATOM 0 HB ILE A 94 0.441 -6.652 2.042 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.461 -3.829 2.526 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.921 -5.228 3.475 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.481 -5.220 0.031 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.183 -5.557 0.563 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.443 -3.975 0.905 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.627 -4.705 1.800 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.888 -6.289 1.465 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.421 -4.868 0.502 1.00 0.52 H new ATOM 1431 N SER A 95 -2.017 -7.403 3.497 1.00 0.27 N ATOM 1432 CA SER A 95 -3.165 -8.294 3.328 1.00 0.34 C ATOM 1433 C SER A 95 -4.419 -7.691 3.957 1.00 0.39 C ATOM 1434 O SER A 95 -5.538 -8.137 3.698 1.00 0.47 O ATOM 1435 CB SER A 95 -2.872 -9.654 3.960 1.00 0.40 C ATOM 1436 OG SER A 95 -4.012 -10.496 3.911 1.00 0.49 O ATOM 0 H SER A 95 -1.245 -7.809 4.026 1.00 0.27 H new ATOM 0 HA SER A 95 -3.341 -8.423 2.260 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.042 -10.130 3.438 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.561 -9.518 4.996 1.00 0.40 H new ATOM 0 HG SER A 95 -3.957 -11.075 3.122 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.215 -6.686 4.798 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.309 -6.007 5.486 1.00 0.46 C ATOM 1444 C LYS A 96 -5.943 -4.936 4.598 1.00 0.45 C ATOM 1445 O LYS A 96 -6.864 -4.234 5.016 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.790 -5.371 6.778 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.696 -6.177 7.468 1.00 0.57 C ATOM 1448 CD LYS A 96 -4.261 -7.243 8.400 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.855 -8.415 7.633 1.00 1.32 C ATOM 1450 NZ LYS A 96 -5.342 -9.488 8.544 1.00 2.12 N ATOM 0 H LYS A 96 -3.291 -6.318 5.023 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.074 -6.746 5.722 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.407 -4.376 6.553 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.624 -5.243 7.469 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -3.068 -6.653 6.714 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.056 -5.503 8.037 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -3.471 -7.604 9.059 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -5.028 -6.800 9.035 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -5.680 -8.063 7.014 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.103 -8.825 6.959 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.739 -10.267 7.981 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -4.550 -9.843 9.117 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -6.078 -9.104 9.171 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.433 -4.817 3.375 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.913 -3.818 2.418 1.00 0.40 C ATOM 1466 C PHE A 97 -7.441 -3.783 2.253 1.00 0.48 C ATOM 1467 O PHE A 97 -7.962 -2.847 1.646 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.237 -4.000 1.044 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.058 -5.429 0.576 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.741 -6.484 1.165 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.183 -5.709 -0.463 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.549 -7.781 0.728 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -3.991 -7.006 -0.902 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.675 -8.041 -0.304 1.00 0.53 C ATOM 0 H PHE A 97 -4.680 -5.405 3.019 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.631 -2.856 2.845 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.825 -3.465 0.298 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.257 -3.524 1.078 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.430 -6.289 1.974 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.644 -4.902 -0.936 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.086 -8.593 1.197 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.306 -7.207 -1.712 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.526 -9.055 -0.644 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.169 -4.774 2.776 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.631 -4.757 2.645 1.00 0.63 C ATOM 1486 C TRP A 98 -10.343 -4.862 3.992 1.00 0.69 C ATOM 1487 O TRP A 98 -11.558 -4.672 4.066 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.135 -5.855 1.697 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.604 -7.228 1.982 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.715 -7.923 1.217 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -9.948 -8.088 3.078 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.459 -9.147 1.783 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.205 -9.274 2.923 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.799 -7.968 4.181 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.292 -10.331 3.825 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.886 -9.021 5.074 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.133 -10.187 4.894 1.00 1.00 C ATOM 0 H TRP A 98 -7.787 -5.575 3.279 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.877 -3.787 2.213 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.224 -5.885 1.745 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.869 -5.583 0.676 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.276 -7.563 0.299 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -7.817 -9.848 1.414 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.378 -7.069 4.333 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.715 -11.233 3.685 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.546 -8.942 5.925 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.218 -10.988 5.613 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.604 -5.163 5.055 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.207 -5.279 6.377 1.00 0.91 C ATOM 1510 C LYS A 99 -10.086 -3.968 7.147 1.00 1.11 C ATOM 1511 O LYS A 99 -10.984 -3.594 7.902 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.562 -6.424 7.164 1.00 0.90 C ATOM 1513 CG LYS A 99 -8.075 -6.236 7.436 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.815 -5.483 8.736 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.434 -6.190 9.930 1.00 1.51 C ATOM 1516 NZ LYS A 99 -8.206 -5.445 11.198 1.00 1.67 N ATOM 0 H LYS A 99 -8.598 -5.329 5.028 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.266 -5.501 6.248 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -10.083 -6.534 8.115 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.704 -7.354 6.613 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.590 -7.211 7.480 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.622 -5.692 6.607 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.741 -5.383 8.890 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -8.221 -4.475 8.660 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.505 -6.308 9.766 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -8.013 -7.191 10.017 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.644 -5.961 11.987 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -7.184 -5.354 11.368 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.630 -4.498 11.126 1.00 1.67 H new