USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 82 ASN : amide:sc= -3.79! C(o=-2.9!,f=-3.5!) USER MOD Set 1.2: A 99 SER OG : rot -28:sc= 1.84! USER MOD Set 1.3: A 106 THR OG1 : rot 169:sc= -0.973! USER MOD Set 2.1: A 92 THR OG1 : rot 143:sc= 1.24 USER MOD Set 2.2: A 94 GLN : amide:sc= -2.01! C(o=-0.77!,f=-9.3!) USER MOD Set 3.1: A 42 THR OG1 : rot 10:sc= 0.281! USER MOD Set 3.2: A 46 SER OG : rot -82:sc= -2.81! USER MOD Set 4.1: A 26 TYR OH : rot 180:sc= 0.0706 USER MOD Set 4.2: A 41 ASN : amide:sc= -11! C(o=-11!,f=-23!) USER MOD Set 5.1: A 23 SER OG : rot -160:sc= 0 USER MOD Set 5.2: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 0:sc= -23.6! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -54:sc= 1.26 USER MOD Single : A 76 GLN : amide:sc=-0.00341 X(o=-0.0034,f=-0.051) USER MOD Single : A 77 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.0037) USER MOD Single : A 83 LYS NZ :NH3+ -116:sc= 0.464 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -100:sc= -5.96! USER MOD Single : A 85 MET CE :methyl 174:sc= -5.01! (180deg=-5.29!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.705 USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= -1.12 (180deg=-1.82) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -0.386 (180deg=-1.83!) USER MOD Single : A 95 GLN : amide:sc= -6.54! C(o=-6.5!,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -44:sc= 0.695 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 61:sc= 0.994 USER MOD Single : A 112 TYR OH : rot -139:sc= -1.41! USER MOD Single : A 116 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.285) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -8.153 -6.836 -0.910 1.00 0.00 N ATOM 160 CA PRO A 12 -6.767 -7.269 -0.847 1.00 0.00 C ATOM 161 C PRO A 12 -6.026 -6.480 0.237 1.00 0.00 C ATOM 162 O PRO A 12 -5.998 -6.865 1.389 1.00 0.00 O ATOM 163 CB PRO A 12 -6.207 -6.950 -2.229 1.00 0.00 C ATOM 164 CG PRO A 12 -7.108 -5.777 -2.735 1.00 0.00 C ATOM 165 CD PRO A 12 -8.487 -5.948 -2.032 1.00 0.00 C ATOM 0 HA PRO A 12 -6.661 -8.325 -0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.159 -6.656 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.264 -7.813 -2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.664 -4.812 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.218 -5.811 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.892 -4.995 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.230 -6.391 -2.695 1.00 0.00 H new ATOM 173 N VAL A 13 -5.437 -5.371 -0.121 1.00 0.00 N ATOM 174 CA VAL A 13 -4.711 -4.552 0.887 1.00 0.00 C ATOM 175 C VAL A 13 -5.047 -3.073 0.668 1.00 0.00 C ATOM 176 O VAL A 13 -4.180 -2.284 0.349 1.00 0.00 O ATOM 177 CB VAL A 13 -3.204 -4.765 0.730 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.452 -3.800 1.647 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.853 -6.206 1.107 1.00 0.00 C ATOM 0 H VAL A 13 -5.428 -4.998 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.013 -4.852 1.891 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.916 -4.578 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.379 -3.953 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.703 -2.774 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.738 -3.985 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.780 -6.360 0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.141 -6.392 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.388 -6.894 0.452 1.00 0.00 H new ATOM 189 N PRO A 14 -6.305 -2.743 0.840 1.00 0.00 N ATOM 190 CA PRO A 14 -6.776 -1.377 0.661 1.00 0.00 C ATOM 191 C PRO A 14 -5.913 -0.398 1.462 1.00 0.00 C ATOM 192 O PRO A 14 -5.641 -0.615 2.627 1.00 0.00 O ATOM 193 CB PRO A 14 -8.201 -1.390 1.204 1.00 0.00 C ATOM 194 CG PRO A 14 -8.638 -2.878 1.049 1.00 0.00 C ATOM 195 CD PRO A 14 -7.340 -3.717 1.227 1.00 0.00 C ATOM 0 HA PRO A 14 -6.727 -1.058 -0.380 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.237 -1.068 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.851 -0.720 0.641 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.384 -3.147 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.088 -3.055 0.072 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.213 -4.064 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.332 -4.600 0.588 1.00 0.00 H new ATOM 203 N LEU A 15 -5.492 0.692 0.866 1.00 0.00 N ATOM 204 CA LEU A 15 -4.672 1.672 1.630 1.00 0.00 C ATOM 205 C LEU A 15 -5.370 3.043 1.654 1.00 0.00 C ATOM 206 O LEU A 15 -4.753 4.049 1.367 1.00 0.00 O ATOM 207 CB LEU A 15 -3.289 1.809 0.990 1.00 0.00 C ATOM 208 CG LEU A 15 -2.570 0.460 1.039 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.829 0.223 -0.277 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.564 0.465 2.193 1.00 0.00 C ATOM 0 H LEU A 15 -5.680 0.940 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.560 1.312 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.386 2.145 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.705 2.564 1.517 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.301 -0.334 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.318 -0.739 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.542 0.222 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.098 1.017 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.049 -0.495 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.836 1.261 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.090 0.633 3.133 1.00 0.00 H new ATOM 222 N PRO A 16 -6.633 3.040 2.022 1.00 0.00 N ATOM 223 CA PRO A 16 -7.427 4.255 2.126 1.00 0.00 C ATOM 224 C PRO A 16 -6.594 5.438 2.640 1.00 0.00 C ATOM 225 O PRO A 16 -6.915 6.581 2.379 1.00 0.00 O ATOM 226 CB PRO A 16 -8.527 3.896 3.114 1.00 0.00 C ATOM 227 CG PRO A 16 -8.689 2.347 2.959 1.00 0.00 C ATOM 228 CD PRO A 16 -7.357 1.809 2.350 1.00 0.00 C ATOM 0 HA PRO A 16 -7.814 4.574 1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.252 4.168 4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.455 4.419 2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.888 1.881 3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.533 2.110 2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.807 1.193 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.534 1.196 1.467 1.00 0.00 H new ATOM 236 N GLU A 17 -5.532 5.189 3.360 1.00 0.00 N ATOM 237 CA GLU A 17 -4.697 6.318 3.871 1.00 0.00 C ATOM 238 C GLU A 17 -3.790 6.861 2.753 1.00 0.00 C ATOM 239 O GLU A 17 -2.786 7.493 3.014 1.00 0.00 O ATOM 240 CB GLU A 17 -3.830 5.822 5.029 1.00 0.00 C ATOM 241 CG GLU A 17 -3.628 6.954 6.038 1.00 0.00 C ATOM 242 CD GLU A 17 -2.836 6.432 7.239 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.557 5.246 7.268 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.523 7.230 8.108 1.00 0.00 O ATOM 0 H GLU A 17 -5.207 4.257 3.616 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.354 7.117 4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.305 4.969 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.866 5.479 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.096 7.782 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.593 7.340 6.365 1.00 0.00 H new ATOM 251 N LEU A 18 -4.134 6.629 1.512 1.00 0.00 N ATOM 252 CA LEU A 18 -3.300 7.137 0.389 1.00 0.00 C ATOM 253 C LEU A 18 -4.226 7.571 -0.753 1.00 0.00 C ATOM 254 O LEU A 18 -4.638 6.756 -1.556 1.00 0.00 O ATOM 255 CB LEU A 18 -2.372 6.022 -0.101 1.00 0.00 C ATOM 256 CG LEU A 18 -1.011 6.614 -0.465 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.072 5.984 0.413 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.707 6.323 -1.936 1.00 0.00 C ATOM 0 H LEU A 18 -4.963 6.106 1.230 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.699 7.983 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.255 5.265 0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.808 5.526 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.028 7.692 -0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.043 6.407 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.144 6.190 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.090 4.906 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.264 6.745 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.690 5.245 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.478 6.772 -2.563 1.00 0.00 H new ATOM 270 N PRO A 19 -4.540 8.843 -0.784 1.00 0.00 N ATOM 271 CA PRO A 19 -5.423 9.395 -1.800 1.00 0.00 C ATOM 272 C PRO A 19 -5.019 8.912 -3.195 1.00 0.00 C ATOM 273 O PRO A 19 -3.851 8.774 -3.504 1.00 0.00 O ATOM 274 CB PRO A 19 -5.249 10.903 -1.677 1.00 0.00 C ATOM 275 CG PRO A 19 -4.810 11.100 -0.192 1.00 0.00 C ATOM 276 CD PRO A 19 -4.026 9.814 0.195 1.00 0.00 C ATOM 0 HA PRO A 19 -6.459 9.085 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.497 11.278 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.176 11.433 -1.895 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.185 11.986 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.675 11.240 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.948 9.951 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.227 9.506 1.221 1.00 0.00 H new ATOM 284 N CYS A 20 -5.980 8.656 -4.040 1.00 0.00 N ATOM 285 CA CYS A 20 -5.665 8.181 -5.417 1.00 0.00 C ATOM 286 C CYS A 20 -5.679 9.369 -6.383 1.00 0.00 C ATOM 287 O CYS A 20 -4.648 9.905 -6.738 1.00 0.00 O ATOM 288 CB CYS A 20 -6.716 7.160 -5.853 1.00 0.00 C ATOM 289 SG CYS A 20 -5.902 5.596 -6.265 1.00 0.00 S ATOM 0 H CYS A 20 -6.974 8.756 -3.835 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.679 7.717 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.442 7.005 -5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.266 7.534 -6.716 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.619 5.715 -6.090 1.00 0.00 H new ATOM 295 N GLU A 21 -6.841 9.785 -6.811 1.00 0.00 N ATOM 296 CA GLU A 21 -6.920 10.936 -7.753 1.00 0.00 C ATOM 297 C GLU A 21 -7.110 12.231 -6.963 1.00 0.00 C ATOM 298 O GLU A 21 -7.891 13.086 -7.331 1.00 0.00 O ATOM 299 CB GLU A 21 -8.104 10.739 -8.703 1.00 0.00 C ATOM 300 CG GLU A 21 -7.748 11.296 -10.083 1.00 0.00 C ATOM 301 CD GLU A 21 -9.012 11.375 -10.943 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.967 11.991 -10.500 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.002 10.819 -12.028 1.00 0.00 O ATOM 0 H GLU A 21 -7.738 9.377 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.997 10.995 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.351 9.680 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.987 11.245 -8.311 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.301 12.285 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.007 10.658 -10.564 1.00 0.00 H new ATOM 310 N LYS A 22 -6.404 12.384 -5.875 1.00 0.00 N ATOM 311 CA LYS A 22 -6.549 13.623 -5.063 1.00 0.00 C ATOM 312 C LYS A 22 -8.021 13.814 -4.694 1.00 0.00 C ATOM 313 O LYS A 22 -8.451 14.897 -4.347 1.00 0.00 O ATOM 314 CB LYS A 22 -6.065 14.827 -5.874 1.00 0.00 C ATOM 315 CG LYS A 22 -4.988 15.574 -5.086 1.00 0.00 C ATOM 316 CD LYS A 22 -5.635 16.695 -4.271 1.00 0.00 C ATOM 317 CE LYS A 22 -4.860 16.891 -2.967 1.00 0.00 C ATOM 318 NZ LYS A 22 -4.506 18.330 -2.811 1.00 0.00 N ATOM 0 H LYS A 22 -5.734 11.704 -5.515 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.952 13.537 -4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.665 14.496 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.900 15.493 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.464 14.885 -4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.245 15.988 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.640 17.621 -4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.675 16.449 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.462 16.560 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.956 16.282 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.979 18.464 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.917 18.631 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.375 18.901 -2.787 1.00 0.00 H new ATOM 332 N SER A 23 -8.797 12.768 -4.769 1.00 0.00 N ATOM 333 CA SER A 23 -10.242 12.884 -4.424 1.00 0.00 C ATOM 334 C SER A 23 -10.554 11.979 -3.233 1.00 0.00 C ATOM 335 O SER A 23 -9.698 11.686 -2.422 1.00 0.00 O ATOM 336 CB SER A 23 -11.086 12.455 -5.625 1.00 0.00 C ATOM 337 OG SER A 23 -12.078 13.441 -5.878 1.00 0.00 O ATOM 0 H SER A 23 -8.493 11.837 -5.055 1.00 0.00 H new ATOM 0 HA SER A 23 -10.474 13.917 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.452 12.327 -6.502 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.556 11.492 -5.428 1.00 0.00 H new ATOM 0 HG SER A 23 -12.800 13.049 -6.412 1.00 0.00 H new ATOM 343 N ASP A 24 -11.774 11.528 -3.121 1.00 0.00 N ATOM 344 CA ASP A 24 -12.135 10.636 -1.985 1.00 0.00 C ATOM 345 C ASP A 24 -11.654 9.214 -2.284 1.00 0.00 C ATOM 346 O ASP A 24 -11.894 8.296 -1.526 1.00 0.00 O ATOM 347 CB ASP A 24 -13.654 10.632 -1.800 1.00 0.00 C ATOM 348 CG ASP A 24 -14.002 11.189 -0.418 1.00 0.00 C ATOM 349 OD1 ASP A 24 -13.152 11.127 0.455 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.113 11.667 -0.256 1.00 0.00 O ATOM 0 H ASP A 24 -12.535 11.739 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.660 10.998 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.127 11.234 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.041 9.618 -1.903 1.00 0.00 H new ATOM 355 N ALA A 25 -10.976 9.026 -3.385 1.00 0.00 N ATOM 356 CA ALA A 25 -10.482 7.667 -3.731 1.00 0.00 C ATOM 357 C ALA A 25 -9.145 7.418 -3.030 1.00 0.00 C ATOM 358 O ALA A 25 -8.532 8.324 -2.501 1.00 0.00 O ATOM 359 CB ALA A 25 -10.287 7.570 -5.245 1.00 0.00 C ATOM 0 H ALA A 25 -10.744 9.757 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.208 6.921 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.925 6.575 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.238 7.751 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.559 8.315 -5.567 1.00 0.00 H new ATOM 365 N TYR A 26 -8.689 6.197 -3.024 1.00 0.00 N ATOM 366 CA TYR A 26 -7.392 5.891 -2.361 1.00 0.00 C ATOM 367 C TYR A 26 -6.640 4.843 -3.184 1.00 0.00 C ATOM 368 O TYR A 26 -6.974 4.582 -4.324 1.00 0.00 O ATOM 369 CB TYR A 26 -7.652 5.356 -0.952 1.00 0.00 C ATOM 370 CG TYR A 26 -8.929 4.548 -0.939 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.165 5.194 -0.822 1.00 0.00 C ATOM 372 CD2 TYR A 26 -8.875 3.153 -1.040 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.348 4.446 -0.806 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.059 2.404 -1.024 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.294 3.050 -0.907 1.00 0.00 C ATOM 376 OH TYR A 26 -12.460 2.312 -0.892 1.00 0.00 O ATOM 0 H TYR A 26 -9.159 5.398 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.791 6.798 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.816 4.737 -0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.727 6.184 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.206 6.270 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.921 2.654 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.302 4.945 -0.716 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.018 1.328 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.245 1.359 -0.972 1.00 0.00 H new ATOM 386 N PHE A 27 -5.620 4.245 -2.629 1.00 0.00 N ATOM 387 CA PHE A 27 -4.852 3.228 -3.399 1.00 0.00 C ATOM 388 C PHE A 27 -4.954 1.854 -2.729 1.00 0.00 C ATOM 389 O PHE A 27 -4.207 1.531 -1.828 1.00 0.00 O ATOM 390 CB PHE A 27 -3.384 3.650 -3.467 1.00 0.00 C ATOM 391 CG PHE A 27 -3.147 4.455 -4.722 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.528 3.941 -5.967 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.546 5.717 -4.639 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.308 4.689 -7.130 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.326 6.465 -5.802 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.707 5.951 -7.047 1.00 0.00 C ATOM 0 H PHE A 27 -5.288 4.417 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.269 3.159 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.124 4.241 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.741 2.770 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.992 2.968 -6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.252 6.113 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.602 4.293 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.862 7.438 -5.738 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.537 6.528 -7.944 1.00 0.00 H new ATOM 406 N VAL A 28 -5.865 1.034 -3.167 1.00 0.00 N ATOM 407 CA VAL A 28 -5.988 -0.319 -2.563 1.00 0.00 C ATOM 408 C VAL A 28 -4.952 -1.247 -3.204 1.00 0.00 C ATOM 409 O VAL A 28 -5.115 -1.700 -4.320 1.00 0.00 O ATOM 410 CB VAL A 28 -7.397 -0.866 -2.806 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.427 -2.367 -2.511 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.385 -0.148 -1.885 1.00 0.00 C ATOM 0 H VAL A 28 -6.528 1.241 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.812 -0.261 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.675 -0.698 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.432 -2.752 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.723 -2.881 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.148 -2.539 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.389 -0.536 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.103 -0.317 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.368 0.921 -2.096 1.00 0.00 H new ATOM 422 N LEU A 29 -3.885 -1.525 -2.507 1.00 0.00 N ATOM 423 CA LEU A 29 -2.832 -2.414 -3.072 1.00 0.00 C ATOM 424 C LEU A 29 -3.447 -3.749 -3.493 1.00 0.00 C ATOM 425 O LEU A 29 -3.801 -4.569 -2.669 1.00 0.00 O ATOM 426 CB LEU A 29 -1.752 -2.662 -2.016 1.00 0.00 C ATOM 427 CG LEU A 29 -0.725 -3.660 -2.554 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.450 -2.901 -3.173 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.216 -4.535 -1.406 1.00 0.00 C ATOM 0 H LEU A 29 -3.697 -1.174 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.389 -1.933 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.261 -1.724 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.205 -3.048 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.192 -4.288 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.181 -3.613 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.089 -2.276 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.918 -2.273 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.516 -5.247 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.251 -3.906 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.052 -5.077 -0.963 1.00 0.00 H new ATOM 441 N ARG A 30 -3.568 -3.976 -4.772 1.00 0.00 N ATOM 442 CA ARG A 30 -4.147 -5.261 -5.250 1.00 0.00 C ATOM 443 C ARG A 30 -3.020 -6.144 -5.787 1.00 0.00 C ATOM 444 O ARG A 30 -1.853 -5.861 -5.592 1.00 0.00 O ATOM 445 CB ARG A 30 -5.157 -4.984 -6.366 1.00 0.00 C ATOM 446 CG ARG A 30 -6.539 -4.741 -5.757 1.00 0.00 C ATOM 447 CD ARG A 30 -7.325 -3.774 -6.644 1.00 0.00 C ATOM 448 NE ARG A 30 -7.708 -4.462 -7.910 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.883 -4.251 -8.437 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.926 -4.894 -7.988 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.015 -3.395 -9.415 1.00 0.00 N ATOM 0 H ARG A 30 -3.290 -3.326 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.652 -5.767 -4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.845 -4.115 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.195 -5.828 -7.054 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.077 -5.684 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.438 -4.330 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.217 -3.427 -6.122 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.722 -2.893 -6.864 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.052 -5.097 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.823 -5.562 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.844 -4.728 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.200 -2.892 -9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.933 -3.230 -9.827 1.00 0.00 H new ATOM 465 N ASP A 31 -3.351 -7.210 -6.462 1.00 0.00 N ATOM 466 CA ASP A 31 -2.289 -8.101 -7.007 1.00 0.00 C ATOM 467 C ASP A 31 -2.768 -8.725 -8.318 1.00 0.00 C ATOM 468 O ASP A 31 -3.492 -9.699 -8.325 1.00 0.00 O ATOM 469 CB ASP A 31 -1.981 -9.208 -5.995 1.00 0.00 C ATOM 470 CG ASP A 31 -3.225 -10.075 -5.795 1.00 0.00 C ATOM 471 OD1 ASP A 31 -4.120 -9.640 -5.089 1.00 0.00 O ATOM 472 OD2 ASP A 31 -3.260 -11.162 -6.349 1.00 0.00 O ATOM 0 H ASP A 31 -4.308 -7.502 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.387 -7.518 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.151 -9.820 -6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.672 -8.772 -5.045 1.00 0.00 H new ATOM 477 N GLY A 32 -2.367 -8.171 -9.430 1.00 0.00 N ATOM 478 CA GLY A 32 -2.799 -8.733 -10.741 1.00 0.00 C ATOM 479 C GLY A 32 -2.025 -10.021 -11.024 1.00 0.00 C ATOM 480 O GLY A 32 -1.417 -10.597 -10.145 1.00 0.00 O ATOM 0 H GLY A 32 -1.759 -7.354 -9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.870 -8.935 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.622 -8.008 -11.535 1.00 0.00 H new ATOM 484 N ALA A 33 -2.041 -10.476 -12.247 1.00 0.00 N ATOM 485 CA ALA A 33 -1.305 -11.727 -12.586 1.00 0.00 C ATOM 486 C ALA A 33 0.029 -11.370 -13.245 1.00 0.00 C ATOM 487 O ALA A 33 0.659 -12.194 -13.878 1.00 0.00 O ATOM 488 CB ALA A 33 -2.144 -12.565 -13.552 1.00 0.00 C ATOM 0 H ALA A 33 -2.531 -10.036 -13.026 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.119 -12.299 -11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.607 -13.480 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.095 -12.818 -13.083 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.329 -11.994 -14.462 1.00 0.00 H new ATOM 494 N ALA A 34 0.464 -10.148 -13.101 1.00 0.00 N ATOM 495 CA ALA A 34 1.757 -9.741 -13.720 1.00 0.00 C ATOM 496 C ALA A 34 2.618 -9.017 -12.682 1.00 0.00 C ATOM 497 O ALA A 34 3.718 -8.586 -12.967 1.00 0.00 O ATOM 498 CB ALA A 34 1.484 -8.802 -14.897 1.00 0.00 C ATOM 0 H ALA A 34 -0.019 -9.415 -12.582 1.00 0.00 H new ATOM 0 HA ALA A 34 2.284 -10.627 -14.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.429 -8.503 -15.351 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.872 -9.316 -15.638 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.956 -7.917 -14.542 1.00 0.00 H new ATOM 504 N GLY A 35 2.129 -8.880 -11.479 1.00 0.00 N ATOM 505 CA GLY A 35 2.924 -8.184 -10.427 1.00 0.00 C ATOM 506 C GLY A 35 1.981 -7.438 -9.482 1.00 0.00 C ATOM 507 O GLY A 35 0.883 -7.068 -9.850 1.00 0.00 O ATOM 0 H GLY A 35 1.215 -9.219 -11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.518 -8.907 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.622 -7.485 -10.887 1.00 0.00 H new ATOM 511 N VAL A 36 2.399 -7.214 -8.267 1.00 0.00 N ATOM 512 CA VAL A 36 1.524 -6.491 -7.300 1.00 0.00 C ATOM 513 C VAL A 36 1.415 -5.021 -7.712 1.00 0.00 C ATOM 514 O VAL A 36 2.130 -4.553 -8.575 1.00 0.00 O ATOM 515 CB VAL A 36 2.130 -6.585 -5.897 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.534 -8.032 -5.612 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.367 -5.688 -5.813 1.00 0.00 C ATOM 0 H VAL A 36 3.307 -7.500 -7.902 1.00 0.00 H new ATOM 0 HA VAL A 36 0.532 -6.942 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 36 1.393 -6.260 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.965 -8.099 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.655 -8.674 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.270 -8.356 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.798 -5.755 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.103 -6.013 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.082 -4.656 -6.017 1.00 0.00 H new ATOM 527 N PHE A 37 0.524 -4.289 -7.099 1.00 0.00 N ATOM 528 CA PHE A 37 0.372 -2.851 -7.456 1.00 0.00 C ATOM 529 C PHE A 37 -0.734 -2.228 -6.599 1.00 0.00 C ATOM 530 O PHE A 37 -1.237 -2.838 -5.678 1.00 0.00 O ATOM 531 CB PHE A 37 0.017 -2.728 -8.944 1.00 0.00 C ATOM 532 CG PHE A 37 -1.450 -3.022 -9.155 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.036 -4.143 -8.555 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.225 -2.170 -9.950 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.396 -4.411 -8.748 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.585 -2.438 -10.144 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.171 -3.558 -9.544 1.00 0.00 C ATOM 0 H PHE A 37 -0.103 -4.625 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 37 1.308 -2.325 -7.269 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.249 -1.724 -9.299 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.622 -3.421 -9.529 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.438 -4.802 -7.943 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.774 -1.305 -10.414 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.848 -5.275 -8.283 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.183 -1.780 -10.757 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.220 -3.765 -9.695 1.00 0.00 H new ATOM 547 N LEU A 38 -1.116 -1.017 -6.898 1.00 0.00 N ATOM 548 CA LEU A 38 -2.188 -0.358 -6.101 1.00 0.00 C ATOM 549 C LEU A 38 -3.120 0.410 -7.039 1.00 0.00 C ATOM 550 O LEU A 38 -2.796 1.482 -7.510 1.00 0.00 O ATOM 551 CB LEU A 38 -1.560 0.615 -5.101 1.00 0.00 C ATOM 552 CG LEU A 38 -0.209 0.071 -4.634 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.877 0.477 -5.630 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.123 0.647 -3.257 1.00 0.00 C ATOM 0 H LEU A 38 -0.733 -0.456 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.755 -1.116 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.429 1.593 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.223 0.752 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.257 -1.016 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.840 0.089 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.641 0.068 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.926 1.564 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.086 0.260 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.171 1.734 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.651 0.358 -2.546 1.00 0.00 H new ATOM 566 N ALA A 39 -4.278 -0.125 -7.312 1.00 0.00 N ATOM 567 CA ALA A 39 -5.227 0.581 -8.218 1.00 0.00 C ATOM 568 C ALA A 39 -6.127 1.500 -7.391 1.00 0.00 C ATOM 569 O ALA A 39 -6.345 1.278 -6.214 1.00 0.00 O ATOM 570 CB ALA A 39 -6.092 -0.440 -8.960 1.00 0.00 C ATOM 0 H ALA A 39 -4.608 -1.019 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.664 1.170 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.784 0.082 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.453 -1.098 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.656 -1.032 -8.239 1.00 0.00 H new ATOM 576 N ALA A 40 -6.654 2.526 -7.996 1.00 0.00 N ATOM 577 CA ALA A 40 -7.543 3.456 -7.247 1.00 0.00 C ATOM 578 C ALA A 40 -8.875 2.757 -6.960 1.00 0.00 C ATOM 579 O ALA A 40 -9.390 2.024 -7.780 1.00 0.00 O ATOM 580 CB ALA A 40 -7.788 4.710 -8.088 1.00 0.00 C ATOM 0 H ALA A 40 -6.508 2.761 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.072 3.740 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.439 5.393 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.837 5.202 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.263 4.430 -9.028 1.00 0.00 H new ATOM 586 N ASN A 41 -9.432 2.972 -5.799 1.00 0.00 N ATOM 587 CA ASN A 41 -10.726 2.312 -5.461 1.00 0.00 C ATOM 588 C ASN A 41 -11.834 2.851 -6.370 1.00 0.00 C ATOM 589 O ASN A 41 -12.763 2.148 -6.715 1.00 0.00 O ATOM 590 CB ASN A 41 -11.077 2.592 -3.996 1.00 0.00 C ATOM 591 CG ASN A 41 -11.582 4.030 -3.849 1.00 0.00 C ATOM 592 OD1 ASN A 41 -11.001 4.948 -4.391 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.647 4.264 -3.132 1.00 0.00 N ATOM 0 H ASN A 41 -9.048 3.575 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.632 1.236 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.840 1.892 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.200 2.439 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.991 5.218 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.135 3.493 -2.677 1.00 0.00 H new ATOM 600 N THR A 42 -11.746 4.093 -6.758 1.00 0.00 N ATOM 601 CA THR A 42 -12.799 4.671 -7.641 1.00 0.00 C ATOM 602 C THR A 42 -12.607 4.162 -9.072 1.00 0.00 C ATOM 603 O THR A 42 -13.393 4.458 -9.948 1.00 0.00 O ATOM 604 CB THR A 42 -12.698 6.198 -7.625 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.384 6.589 -7.999 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.006 6.717 -6.220 1.00 0.00 C ATOM 0 H THR A 42 -10.993 4.732 -6.503 1.00 0.00 H new ATOM 0 HA THR A 42 -13.781 4.367 -7.278 1.00 0.00 H new ATOM 0 HB THR A 42 -13.416 6.617 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.891 5.808 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.934 7.805 -6.210 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.014 6.418 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.290 6.299 -5.513 1.00 0.00 H new ATOM 614 N PHE A 43 -11.568 3.398 -9.309 1.00 0.00 N ATOM 615 CA PHE A 43 -11.310 2.859 -10.680 1.00 0.00 C ATOM 616 C PHE A 43 -12.641 2.512 -11.361 1.00 0.00 C ATOM 617 O PHE A 43 -13.561 2.054 -10.712 1.00 0.00 O ATOM 618 CB PHE A 43 -10.454 1.594 -10.560 1.00 0.00 C ATOM 619 CG PHE A 43 -10.425 0.866 -11.883 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.527 0.106 -12.291 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.292 0.950 -12.702 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.498 -0.569 -13.517 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.263 0.275 -13.929 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.366 -0.485 -14.336 1.00 0.00 C ATOM 0 H PHE A 43 -10.883 3.123 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.789 3.608 -11.277 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.440 1.857 -10.258 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.859 0.943 -9.785 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.401 0.040 -11.659 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.441 1.535 -12.387 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.349 -1.155 -13.831 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.390 0.341 -14.561 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.343 -1.006 -15.282 1.00 0.00 H new ATOM 634 N PRO A 44 -12.705 2.735 -12.653 1.00 0.00 N ATOM 635 CA PRO A 44 -11.595 3.284 -13.424 1.00 0.00 C ATOM 636 C PRO A 44 -11.457 4.794 -13.184 1.00 0.00 C ATOM 637 O PRO A 44 -10.578 5.433 -13.729 1.00 0.00 O ATOM 638 CB PRO A 44 -11.977 3.016 -14.874 1.00 0.00 C ATOM 639 CG PRO A 44 -13.537 2.971 -14.838 1.00 0.00 C ATOM 640 CD PRO A 44 -13.918 2.435 -13.427 1.00 0.00 C ATOM 0 HA PRO A 44 -10.640 2.837 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.613 3.801 -15.537 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.557 2.076 -15.233 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.960 3.961 -15.007 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.927 2.320 -15.621 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.796 2.938 -13.022 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.140 1.368 -13.441 1.00 0.00 H new ATOM 648 N LYS A 45 -12.316 5.364 -12.380 1.00 0.00 N ATOM 649 CA LYS A 45 -12.236 6.829 -12.107 1.00 0.00 C ATOM 650 C LYS A 45 -10.771 7.246 -11.963 1.00 0.00 C ATOM 651 O LYS A 45 -10.394 8.351 -12.298 1.00 0.00 O ATOM 652 CB LYS A 45 -12.991 7.142 -10.813 1.00 0.00 C ATOM 653 CG LYS A 45 -12.633 8.551 -10.345 1.00 0.00 C ATOM 654 CD LYS A 45 -13.548 8.955 -9.187 1.00 0.00 C ATOM 655 CE LYS A 45 -13.523 10.475 -9.022 1.00 0.00 C ATOM 656 NZ LYS A 45 -12.387 10.859 -8.137 1.00 0.00 N ATOM 0 H LYS A 45 -13.072 4.876 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.685 7.380 -12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.066 7.064 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.733 6.415 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.591 8.586 -10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.739 9.257 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.566 8.616 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.220 8.473 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.419 10.956 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.464 10.821 -8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.369 11.893 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.505 10.411 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.493 10.542 -8.563 1.00 0.00 H new ATOM 670 N SER A 46 -9.943 6.369 -11.470 1.00 0.00 N ATOM 671 CA SER A 46 -8.505 6.713 -11.311 1.00 0.00 C ATOM 672 C SER A 46 -7.652 5.531 -11.771 1.00 0.00 C ATOM 673 O SER A 46 -7.504 4.550 -11.070 1.00 0.00 O ATOM 674 CB SER A 46 -8.211 7.016 -9.840 1.00 0.00 C ATOM 675 OG SER A 46 -9.296 6.564 -9.042 1.00 0.00 O ATOM 0 H SER A 46 -10.201 5.429 -11.170 1.00 0.00 H new ATOM 0 HA SER A 46 -8.269 7.591 -11.913 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.288 6.523 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.063 8.087 -9.700 1.00 0.00 H new ATOM 0 HG SER A 46 -10.010 7.236 -9.049 1.00 0.00 H new ATOM 681 N ARG A 47 -7.091 5.615 -12.945 1.00 0.00 N ATOM 682 CA ARG A 47 -6.251 4.494 -13.447 1.00 0.00 C ATOM 683 C ARG A 47 -4.804 4.709 -13.007 1.00 0.00 C ATOM 684 O ARG A 47 -3.874 4.452 -13.745 1.00 0.00 O ATOM 685 CB ARG A 47 -6.320 4.448 -14.975 1.00 0.00 C ATOM 686 CG ARG A 47 -7.255 3.316 -15.409 1.00 0.00 C ATOM 687 CD ARG A 47 -7.359 3.296 -16.935 1.00 0.00 C ATOM 688 NE ARG A 47 -8.549 2.496 -17.341 1.00 0.00 N ATOM 689 CZ ARG A 47 -8.576 1.909 -18.506 1.00 0.00 C ATOM 690 NH1 ARG A 47 -8.033 2.491 -19.541 1.00 0.00 N ATOM 691 NH2 ARG A 47 -9.145 0.743 -18.637 1.00 0.00 N ATOM 0 H ARG A 47 -7.178 6.411 -13.577 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.619 3.552 -13.040 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.681 5.401 -15.362 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.324 4.291 -15.390 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.878 2.360 -15.047 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.242 3.456 -14.969 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.443 4.313 -17.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.455 2.867 -17.366 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.343 2.407 -16.707 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.588 3.403 -19.438 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.053 2.033 -20.452 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.570 0.289 -17.828 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.166 0.285 -19.548 1.00 0.00 H new ATOM 705 N GLU A 48 -4.608 5.178 -11.805 1.00 0.00 N ATOM 706 CA GLU A 48 -3.222 5.406 -11.313 1.00 0.00 C ATOM 707 C GLU A 48 -2.681 4.109 -10.711 1.00 0.00 C ATOM 708 O GLU A 48 -2.165 4.089 -9.611 1.00 0.00 O ATOM 709 CB GLU A 48 -3.232 6.502 -10.246 1.00 0.00 C ATOM 710 CG GLU A 48 -3.931 7.746 -10.796 1.00 0.00 C ATOM 711 CD GLU A 48 -4.563 8.529 -9.645 1.00 0.00 C ATOM 712 OE1 GLU A 48 -5.117 7.900 -8.759 1.00 0.00 O ATOM 713 OE2 GLU A 48 -4.481 9.746 -9.667 1.00 0.00 O ATOM 0 H GLU A 48 -5.348 5.413 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.586 5.717 -12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.746 6.149 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.211 6.746 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.215 8.374 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.696 7.457 -11.516 1.00 0.00 H new ATOM 720 N THR A 49 -2.801 3.025 -11.425 1.00 0.00 N ATOM 721 CA THR A 49 -2.301 1.724 -10.899 1.00 0.00 C ATOM 722 C THR A 49 -0.953 1.397 -11.546 1.00 0.00 C ATOM 723 O THR A 49 -0.594 1.953 -12.566 1.00 0.00 O ATOM 724 CB THR A 49 -3.306 0.615 -11.226 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.973 0.033 -12.479 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.719 1.198 -11.292 1.00 0.00 C ATOM 0 H THR A 49 -3.225 2.984 -12.352 1.00 0.00 H new ATOM 0 HA THR A 49 -2.180 1.794 -9.818 1.00 0.00 H new ATOM 0 HB THR A 49 -3.270 -0.147 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.614 -0.678 -12.690 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.429 0.405 -11.525 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.974 1.643 -10.330 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.761 1.962 -12.068 1.00 0.00 H new ATOM 734 N ARG A 50 -0.205 0.502 -10.964 1.00 0.00 N ATOM 735 CA ARG A 50 1.118 0.141 -11.547 1.00 0.00 C ATOM 736 C ARG A 50 1.917 -0.673 -10.527 1.00 0.00 C ATOM 737 O ARG A 50 1.910 -1.887 -10.544 1.00 0.00 O ATOM 738 CB ARG A 50 1.887 1.417 -11.899 1.00 0.00 C ATOM 739 CG ARG A 50 2.038 1.521 -13.417 1.00 0.00 C ATOM 740 CD ARG A 50 1.716 2.947 -13.866 1.00 0.00 C ATOM 741 NE ARG A 50 0.863 2.904 -15.087 1.00 0.00 N ATOM 742 CZ ARG A 50 0.080 3.908 -15.372 1.00 0.00 C ATOM 743 NH1 ARG A 50 -0.989 4.126 -14.655 1.00 0.00 N ATOM 744 NH2 ARG A 50 0.364 4.696 -16.372 1.00 0.00 N ATOM 0 H ARG A 50 -0.453 0.004 -10.109 1.00 0.00 H new ATOM 0 HA ARG A 50 0.969 -0.452 -12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.359 2.290 -11.515 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.869 1.405 -11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.054 1.257 -13.711 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.370 0.814 -13.909 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.201 3.483 -13.069 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.638 3.491 -14.072 1.00 0.00 H new ATOM 0 HE ARG A 50 0.891 2.089 -15.700 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.212 3.511 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.601 4.911 -14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.199 4.528 -16.933 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.249 5.480 -16.593 1.00 0.00 H new ATOM 758 N ALA A 51 2.603 -0.011 -9.636 1.00 0.00 N ATOM 759 CA ALA A 51 3.399 -0.747 -8.613 1.00 0.00 C ATOM 760 C ALA A 51 3.588 0.144 -7.380 1.00 0.00 C ATOM 761 O ALA A 51 3.493 1.351 -7.471 1.00 0.00 O ATOM 762 CB ALA A 51 4.762 -1.119 -9.194 1.00 0.00 C ATOM 0 H ALA A 51 2.647 1.006 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 51 2.872 -1.657 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.342 -1.657 -8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.623 -1.753 -10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.294 -0.213 -9.483 1.00 0.00 H new ATOM 768 N PRO A 52 3.836 -0.484 -6.259 1.00 0.00 N ATOM 769 CA PRO A 52 4.021 0.225 -5.001 1.00 0.00 C ATOM 770 C PRO A 52 5.405 0.884 -4.927 1.00 0.00 C ATOM 771 O PRO A 52 6.420 0.217 -4.868 1.00 0.00 O ATOM 772 CB PRO A 52 3.901 -0.860 -3.939 1.00 0.00 C ATOM 773 CG PRO A 52 4.346 -2.157 -4.687 1.00 0.00 C ATOM 774 CD PRO A 52 3.941 -1.951 -6.175 1.00 0.00 C ATOM 0 HA PRO A 52 3.295 1.028 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.540 -0.653 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.881 -0.943 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.421 -2.313 -4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.858 -3.037 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.690 -2.347 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.998 -2.443 -6.414 1.00 0.00 H new ATOM 782 N LEU A 53 5.453 2.189 -4.909 1.00 0.00 N ATOM 783 CA LEU A 53 6.765 2.883 -4.809 1.00 0.00 C ATOM 784 C LEU A 53 7.533 2.301 -3.618 1.00 0.00 C ATOM 785 O LEU A 53 6.958 2.012 -2.588 1.00 0.00 O ATOM 786 CB LEU A 53 6.532 4.382 -4.579 1.00 0.00 C ATOM 787 CG LEU A 53 7.371 5.192 -5.569 1.00 0.00 C ATOM 788 CD1 LEU A 53 6.906 6.644 -5.579 1.00 0.00 C ATOM 789 CD2 LEU A 53 8.841 5.139 -5.156 1.00 0.00 C ATOM 0 H LEU A 53 4.640 2.802 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 53 7.334 2.743 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.475 4.619 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.800 4.649 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 53 7.252 4.767 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.508 7.214 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.858 6.688 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.019 7.069 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.438 5.716 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.954 5.559 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.181 4.104 -5.155 1.00 0.00 H new ATOM 801 N VAL A 54 8.821 2.116 -3.739 1.00 0.00 N ATOM 802 CA VAL A 54 9.591 1.546 -2.599 1.00 0.00 C ATOM 803 C VAL A 54 9.334 2.380 -1.342 1.00 0.00 C ATOM 804 O VAL A 54 9.015 1.855 -0.292 1.00 0.00 O ATOM 805 CB VAL A 54 11.085 1.565 -2.926 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.827 0.636 -1.965 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.299 1.082 -4.361 1.00 0.00 C ATOM 0 H VAL A 54 9.368 2.334 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 54 9.272 0.518 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 54 11.466 2.581 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.892 0.648 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.675 0.975 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.444 -0.379 -2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.364 1.095 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.918 0.066 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.768 1.740 -5.049 1.00 0.00 H new ATOM 817 N GLU A 55 9.468 3.674 -1.437 1.00 0.00 N ATOM 818 CA GLU A 55 9.229 4.534 -0.245 1.00 0.00 C ATOM 819 C GLU A 55 7.797 4.329 0.251 1.00 0.00 C ATOM 820 O GLU A 55 7.531 4.362 1.436 1.00 0.00 O ATOM 821 CB GLU A 55 9.435 6.003 -0.622 1.00 0.00 C ATOM 822 CG GLU A 55 8.888 6.252 -2.028 1.00 0.00 C ATOM 823 CD GLU A 55 8.107 7.567 -2.048 1.00 0.00 C ATOM 824 OE1 GLU A 55 8.018 8.196 -1.006 1.00 0.00 O ATOM 825 OE2 GLU A 55 7.612 7.924 -3.105 1.00 0.00 O ATOM 0 H GLU A 55 9.732 4.172 -2.287 1.00 0.00 H new ATOM 0 HA GLU A 55 9.930 4.263 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.928 6.648 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.495 6.254 -0.583 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.707 6.293 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.241 5.428 -2.329 1.00 0.00 H new ATOM 832 N GLU A 56 6.872 4.112 -0.644 1.00 0.00 N ATOM 833 CA GLU A 56 5.462 3.898 -0.215 1.00 0.00 C ATOM 834 C GLU A 56 5.380 2.610 0.604 1.00 0.00 C ATOM 835 O GLU A 56 4.629 2.510 1.554 1.00 0.00 O ATOM 836 CB GLU A 56 4.565 3.778 -1.449 1.00 0.00 C ATOM 837 CG GLU A 56 4.284 5.173 -2.014 1.00 0.00 C ATOM 838 CD GLU A 56 2.831 5.557 -1.728 1.00 0.00 C ATOM 839 OE1 GLU A 56 1.998 4.667 -1.701 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.577 6.735 -1.539 1.00 0.00 O ATOM 0 H GLU A 56 7.032 4.074 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 56 5.129 4.741 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.049 3.159 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.629 3.286 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.959 5.902 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.470 5.186 -3.088 1.00 0.00 H new ATOM 847 N LEU A 57 6.155 1.623 0.245 1.00 0.00 N ATOM 848 CA LEU A 57 6.132 0.341 1.000 1.00 0.00 C ATOM 849 C LEU A 57 6.616 0.588 2.431 1.00 0.00 C ATOM 850 O LEU A 57 6.076 0.054 3.379 1.00 0.00 O ATOM 851 CB LEU A 57 7.060 -0.668 0.318 1.00 0.00 C ATOM 852 CG LEU A 57 6.419 -2.059 0.334 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.844 -2.348 1.722 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.296 -2.116 -0.703 1.00 0.00 C ATOM 0 H LEU A 57 6.804 1.651 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 57 5.116 -0.053 1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.255 -0.360 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.022 -0.695 0.831 1.00 0.00 H new ATOM 0 HG LEU A 57 7.176 -2.806 0.094 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.389 -3.339 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.644 -2.311 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.089 -1.601 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.840 -3.106 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.542 -1.366 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.705 -1.916 -1.693 1.00 0.00 H new ATOM 866 N TYR A 58 7.629 1.395 2.593 1.00 0.00 N ATOM 867 CA TYR A 58 8.146 1.673 3.963 1.00 0.00 C ATOM 868 C TYR A 58 7.127 2.514 4.734 1.00 0.00 C ATOM 869 O TYR A 58 6.960 2.365 5.928 1.00 0.00 O ATOM 870 CB TYR A 58 9.468 2.438 3.864 1.00 0.00 C ATOM 871 CG TYR A 58 10.183 2.381 5.193 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.443 1.143 5.794 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.585 3.563 5.823 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.107 1.089 7.025 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.248 3.509 7.055 1.00 0.00 C ATOM 876 CZ TYR A 58 11.509 2.272 7.656 1.00 0.00 C ATOM 877 OH TYR A 58 12.163 2.219 8.870 1.00 0.00 O ATOM 0 H TYR A 58 8.120 1.873 1.837 1.00 0.00 H new ATOM 0 HA TYR A 58 8.309 0.731 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.094 2.005 3.083 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.281 3.475 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.131 0.230 5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.384 4.517 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.309 0.134 7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.558 4.422 7.542 1.00 0.00 H new ATOM 0 HH TYR A 58 12.373 3.129 9.169 1.00 0.00 H new ATOM 887 N ARG A 59 6.442 3.398 4.061 1.00 0.00 N ATOM 888 CA ARG A 59 5.434 4.248 4.755 1.00 0.00 C ATOM 889 C ARG A 59 4.287 3.370 5.257 1.00 0.00 C ATOM 890 O ARG A 59 3.631 3.686 6.230 1.00 0.00 O ATOM 891 CB ARG A 59 4.888 5.293 3.781 1.00 0.00 C ATOM 892 CG ARG A 59 4.666 6.614 4.519 1.00 0.00 C ATOM 893 CD ARG A 59 3.278 7.160 4.180 1.00 0.00 C ATOM 894 NE ARG A 59 2.788 8.007 5.303 1.00 0.00 N ATOM 895 CZ ARG A 59 1.764 7.622 6.014 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.931 6.774 6.992 1.00 0.00 N ATOM 897 NH2 ARG A 59 0.573 8.082 5.746 1.00 0.00 N ATOM 0 H ARG A 59 6.537 3.568 3.060 1.00 0.00 H new ATOM 0 HA ARG A 59 5.904 4.751 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.587 5.438 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.951 4.945 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.756 6.462 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.432 7.335 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.320 7.745 3.261 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.586 6.337 4.002 1.00 0.00 H new ATOM 0 HE ARG A 59 3.254 8.889 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.862 6.413 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.131 6.473 7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.442 8.743 4.980 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.227 7.781 6.302 1.00 0.00 H new ATOM 911 N PHE A 60 4.039 2.271 4.600 1.00 0.00 N ATOM 912 CA PHE A 60 2.932 1.375 5.040 1.00 0.00 C ATOM 913 C PHE A 60 3.519 0.069 5.577 1.00 0.00 C ATOM 914 O PHE A 60 2.926 -0.984 5.457 1.00 0.00 O ATOM 915 CB PHE A 60 2.017 1.075 3.852 1.00 0.00 C ATOM 916 CG PHE A 60 1.157 2.283 3.565 1.00 0.00 C ATOM 917 CD1 PHE A 60 1.726 3.425 2.989 1.00 0.00 C ATOM 918 CD2 PHE A 60 -0.208 2.262 3.875 1.00 0.00 C ATOM 919 CE1 PHE A 60 0.931 4.546 2.723 1.00 0.00 C ATOM 920 CE2 PHE A 60 -1.003 3.383 3.610 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.434 4.524 3.034 1.00 0.00 C ATOM 0 H PHE A 60 4.554 1.954 3.778 1.00 0.00 H new ATOM 0 HA PHE A 60 2.356 1.864 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.612 0.822 2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.389 0.211 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.779 3.441 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.648 1.381 4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.370 5.427 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.056 3.367 3.850 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.048 5.388 2.829 1.00 0.00 H new ATOM 931 N ARG A 61 4.679 0.130 6.171 1.00 0.00 N ATOM 932 CA ARG A 61 5.302 -1.107 6.717 1.00 0.00 C ATOM 933 C ARG A 61 4.436 -1.654 7.854 1.00 0.00 C ATOM 934 O ARG A 61 4.363 -2.847 8.073 1.00 0.00 O ATOM 935 CB ARG A 61 6.699 -0.783 7.250 1.00 0.00 C ATOM 936 CG ARG A 61 7.698 -1.818 6.731 1.00 0.00 C ATOM 937 CD ARG A 61 7.710 -3.030 7.665 1.00 0.00 C ATOM 938 NE ARG A 61 8.882 -2.938 8.582 1.00 0.00 N ATOM 939 CZ ARG A 61 8.929 -3.678 9.655 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.043 -3.516 10.600 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.862 -4.581 9.784 1.00 0.00 N ATOM 0 H ARG A 61 5.222 0.984 6.302 1.00 0.00 H new ATOM 0 HA ARG A 61 5.380 -1.854 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.998 0.216 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.693 -0.783 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.427 -2.126 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.695 -1.380 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.786 -3.068 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.761 -3.950 7.083 1.00 0.00 H new ATOM 0 HE ARG A 61 9.647 -2.297 8.370 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.313 -2.810 10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.080 -4.095 11.439 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.554 -4.708 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.899 -5.160 10.623 1.00 0.00 H new ATOM 955 N ASP A 62 3.778 -0.792 8.579 1.00 0.00 N ATOM 956 CA ASP A 62 2.916 -1.263 9.700 1.00 0.00 C ATOM 957 C ASP A 62 1.743 -2.065 9.135 1.00 0.00 C ATOM 958 O ASP A 62 1.093 -2.813 9.839 1.00 0.00 O ATOM 959 CB ASP A 62 2.384 -0.057 10.476 1.00 0.00 C ATOM 960 CG ASP A 62 3.297 0.225 11.671 1.00 0.00 C ATOM 961 OD1 ASP A 62 3.996 -0.685 12.085 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.282 1.347 12.151 1.00 0.00 O ATOM 0 H ASP A 62 3.800 0.219 8.444 1.00 0.00 H new ATOM 0 HA ASP A 62 3.500 -1.895 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.339 0.816 9.825 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.368 -0.252 10.819 1.00 0.00 H new ATOM 967 N ARG A 63 1.469 -1.918 7.868 1.00 0.00 N ATOM 968 CA ARG A 63 0.340 -2.674 7.255 1.00 0.00 C ATOM 969 C ARG A 63 0.892 -3.649 6.213 1.00 0.00 C ATOM 970 O ARG A 63 0.154 -4.243 5.451 1.00 0.00 O ATOM 971 CB ARG A 63 -0.622 -1.695 6.579 1.00 0.00 C ATOM 972 CG ARG A 63 -2.005 -1.813 7.218 1.00 0.00 C ATOM 973 CD ARG A 63 -2.841 -0.582 6.861 1.00 0.00 C ATOM 974 NE ARG A 63 -3.256 0.117 8.110 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.509 0.112 8.475 1.00 0.00 C ATOM 976 NH1 ARG A 63 -5.408 0.692 7.728 1.00 0.00 N ATOM 977 NH2 ARG A 63 -4.862 -0.474 9.585 1.00 0.00 N ATOM 0 H ARG A 63 1.978 -1.307 7.230 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.192 -3.228 8.028 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.250 -0.676 6.679 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.684 -1.908 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.503 -2.717 6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.911 -1.900 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.263 0.092 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.720 -0.880 6.289 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.561 0.599 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.131 1.149 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.387 0.688 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.159 -0.928 10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.841 -0.478 9.871 1.00 0.00 H new ATOM 991 N LEU A 64 2.185 -3.817 6.174 1.00 0.00 N ATOM 992 CA LEU A 64 2.787 -4.749 5.183 1.00 0.00 C ATOM 993 C LEU A 64 2.401 -6.193 5.532 1.00 0.00 C ATOM 994 O LEU A 64 2.788 -6.695 6.569 1.00 0.00 O ATOM 995 CB LEU A 64 4.311 -4.613 5.227 1.00 0.00 C ATOM 996 CG LEU A 64 4.872 -4.688 3.807 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.350 -4.295 3.821 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.732 -6.117 3.279 1.00 0.00 C ATOM 0 H LEU A 64 2.851 -3.347 6.788 1.00 0.00 H new ATOM 0 HA LEU A 64 2.420 -4.505 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.589 -3.666 5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.740 -5.405 5.841 1.00 0.00 H new ATOM 0 HG LEU A 64 4.320 -4.005 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.750 -4.348 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.452 -3.278 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.902 -4.979 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.132 -6.172 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.285 -6.799 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.679 -6.400 3.269 1.00 0.00 H new ATOM 1010 N PRO A 65 1.653 -6.826 4.656 1.00 0.00 N ATOM 1011 CA PRO A 65 1.223 -8.205 4.863 1.00 0.00 C ATOM 1012 C PRO A 65 2.359 -9.192 4.544 1.00 0.00 C ATOM 1013 O PRO A 65 2.116 -10.357 4.304 1.00 0.00 O ATOM 1014 CB PRO A 65 0.078 -8.391 3.875 1.00 0.00 C ATOM 1015 CG PRO A 65 0.413 -7.378 2.734 1.00 0.00 C ATOM 1016 CD PRO A 65 1.177 -6.203 3.412 1.00 0.00 C ATOM 0 HA PRO A 65 0.931 -8.393 5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.032 -9.414 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.887 -8.175 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.024 -7.847 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.496 -7.023 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.000 -5.842 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.526 -5.351 3.606 1.00 0.00 H new ATOM 1024 N GLU A 66 3.590 -8.735 4.533 1.00 0.00 N ATOM 1025 CA GLU A 66 4.753 -9.624 4.236 1.00 0.00 C ATOM 1026 C GLU A 66 4.777 -10.051 2.755 1.00 0.00 C ATOM 1027 O GLU A 66 5.806 -10.440 2.243 1.00 0.00 O ATOM 1028 CB GLU A 66 4.695 -10.850 5.149 1.00 0.00 C ATOM 1029 CG GLU A 66 5.603 -11.957 4.602 1.00 0.00 C ATOM 1030 CD GLU A 66 5.440 -13.217 5.454 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.944 -13.100 6.562 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.815 -14.279 4.983 1.00 0.00 O ATOM 0 H GLU A 66 3.839 -7.764 4.721 1.00 0.00 H new ATOM 0 HA GLU A 66 5.672 -9.069 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.007 -10.578 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.669 -11.212 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.348 -12.171 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.642 -11.629 4.614 1.00 0.00 H new ATOM 1039 N LYS A 67 3.680 -9.970 2.047 1.00 0.00 N ATOM 1040 CA LYS A 67 3.693 -10.372 0.610 1.00 0.00 C ATOM 1041 C LYS A 67 4.524 -9.378 -0.213 1.00 0.00 C ATOM 1042 O LYS A 67 4.628 -9.498 -1.417 1.00 0.00 O ATOM 1043 CB LYS A 67 2.259 -10.396 0.078 1.00 0.00 C ATOM 1044 CG LYS A 67 2.103 -11.544 -0.921 1.00 0.00 C ATOM 1045 CD LYS A 67 1.089 -11.151 -1.997 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.235 -11.873 -1.741 1.00 0.00 C ATOM 1047 NZ LYS A 67 -1.368 -10.940 -2.000 1.00 0.00 N ATOM 0 H LYS A 67 2.780 -9.644 2.400 1.00 0.00 H new ATOM 0 HA LYS A 67 4.138 -11.363 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.556 -10.519 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.023 -9.447 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.065 -11.774 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.771 -12.446 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.934 -10.072 -1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.472 -11.411 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.315 -12.748 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.273 -12.232 -0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.268 -11.431 -1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.293 -10.119 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.334 -10.619 -2.989 1.00 0.00 H new ATOM 1061 N LEU A 68 5.117 -8.401 0.419 1.00 0.00 N ATOM 1062 CA LEU A 68 5.934 -7.412 -0.338 1.00 0.00 C ATOM 1063 C LEU A 68 7.063 -6.896 0.557 1.00 0.00 C ATOM 1064 O LEU A 68 7.650 -5.866 0.300 1.00 0.00 O ATOM 1065 CB LEU A 68 5.055 -6.232 -0.768 1.00 0.00 C ATOM 1066 CG LEU A 68 3.615 -6.704 -0.975 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.932 -6.868 0.384 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.854 -5.666 -1.804 1.00 0.00 C ATOM 0 H LEU A 68 5.070 -8.246 1.426 1.00 0.00 H new ATOM 0 HA LEU A 68 6.352 -7.894 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.085 -5.450 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.441 -5.797 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 68 3.617 -7.660 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.906 -7.204 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.474 -7.605 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.929 -5.912 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.827 -6.001 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.852 -4.711 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.340 -5.546 -2.772 1.00 0.00 H new ATOM 1080 N ARG A 69 7.371 -7.603 1.609 1.00 0.00 N ATOM 1081 CA ARG A 69 8.460 -7.145 2.517 1.00 0.00 C ATOM 1082 C ARG A 69 9.712 -6.830 1.696 1.00 0.00 C ATOM 1083 O ARG A 69 10.190 -5.712 1.677 1.00 0.00 O ATOM 1084 CB ARG A 69 8.778 -8.247 3.530 1.00 0.00 C ATOM 1085 CG ARG A 69 9.898 -7.778 4.460 1.00 0.00 C ATOM 1086 CD ARG A 69 9.420 -7.846 5.912 1.00 0.00 C ATOM 1087 NE ARG A 69 10.598 -7.856 6.823 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.424 -7.949 8.113 1.00 0.00 C ATOM 1089 NH1 ARG A 69 9.587 -8.825 8.597 1.00 0.00 N ATOM 1090 NH2 ARG A 69 11.088 -7.166 8.919 1.00 0.00 N ATOM 0 H ARG A 69 6.917 -8.476 1.879 1.00 0.00 H new ATOM 0 HA ARG A 69 8.138 -6.248 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.888 -8.491 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.079 -9.157 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.781 -8.403 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.189 -6.758 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.781 -6.992 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.820 -8.743 6.067 1.00 0.00 H new ATOM 0 HE ARG A 69 11.541 -7.790 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.069 -9.437 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.451 -8.898 9.605 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.743 -6.482 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.952 -7.239 9.927 1.00 0.00 H new ATOM 1104 N TYR A 70 10.248 -7.806 1.016 1.00 0.00 N ATOM 1105 CA TYR A 70 11.469 -7.565 0.193 1.00 0.00 C ATOM 1106 C TYR A 70 11.290 -6.288 -0.630 1.00 0.00 C ATOM 1107 O TYR A 70 12.214 -5.520 -0.811 1.00 0.00 O ATOM 1108 CB TYR A 70 11.690 -8.749 -0.751 1.00 0.00 C ATOM 1109 CG TYR A 70 10.355 -9.317 -1.169 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.636 -8.716 -2.208 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.837 -10.442 -0.517 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.396 -9.239 -2.595 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.598 -10.966 -0.904 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.877 -10.364 -1.943 1.00 0.00 C ATOM 1115 OH TYR A 70 6.656 -10.879 -2.325 1.00 0.00 O ATOM 0 H TYR A 70 9.893 -8.762 0.994 1.00 0.00 H new ATOM 0 HA TYR A 70 12.331 -7.455 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.251 -8.428 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.285 -9.517 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.037 -7.849 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.393 -10.906 0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.840 -8.775 -3.396 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.198 -11.834 -0.402 1.00 0.00 H new ATOM 0 HH TYR A 70 5.981 -10.169 -2.306 1.00 0.00 H new ATOM 1125 N LEU A 71 10.108 -6.058 -1.135 1.00 0.00 N ATOM 1126 CA LEU A 71 9.869 -4.833 -1.948 1.00 0.00 C ATOM 1127 C LEU A 71 10.110 -3.594 -1.082 1.00 0.00 C ATOM 1128 O LEU A 71 10.737 -2.643 -1.503 1.00 0.00 O ATOM 1129 CB LEU A 71 8.424 -4.834 -2.454 1.00 0.00 C ATOM 1130 CG LEU A 71 8.312 -5.729 -3.686 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.848 -6.108 -3.913 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.835 -4.974 -4.908 1.00 0.00 C ATOM 0 H LEU A 71 9.298 -6.666 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 71 10.551 -4.818 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.754 -5.191 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.114 -3.819 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 71 8.901 -6.633 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.770 -6.747 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.471 -6.643 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.258 -5.205 -4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.757 -5.610 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.244 -4.071 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.878 -4.702 -4.749 1.00 0.00 H new ATOM 1144 N ALA A 72 9.620 -3.602 0.127 1.00 0.00 N ATOM 1145 CA ALA A 72 9.825 -2.429 1.021 1.00 0.00 C ATOM 1146 C ALA A 72 11.266 -2.426 1.536 1.00 0.00 C ATOM 1147 O ALA A 72 11.703 -1.495 2.182 1.00 0.00 O ATOM 1148 CB ALA A 72 8.861 -2.518 2.205 1.00 0.00 C ATOM 0 H ALA A 72 9.087 -4.370 0.534 1.00 0.00 H new ATOM 0 HA ALA A 72 9.636 -1.510 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.010 -1.660 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.834 -2.521 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.051 -3.436 2.761 1.00 0.00 H new ATOM 1154 N ASP A 73 12.009 -3.463 1.254 1.00 0.00 N ATOM 1155 CA ASP A 73 13.420 -3.518 1.728 1.00 0.00 C ATOM 1156 C ASP A 73 14.349 -3.015 0.621 1.00 0.00 C ATOM 1157 O ASP A 73 15.530 -2.816 0.830 1.00 0.00 O ATOM 1158 CB ASP A 73 13.784 -4.961 2.081 1.00 0.00 C ATOM 1159 CG ASP A 73 13.259 -5.293 3.479 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.541 -4.535 4.392 1.00 0.00 O ATOM 1161 OD2 ASP A 73 12.584 -6.300 3.613 1.00 0.00 O ATOM 0 H ASP A 73 11.699 -4.273 0.717 1.00 0.00 H new ATOM 0 HA ASP A 73 13.531 -2.889 2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.356 -5.645 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.865 -5.093 2.046 1.00 0.00 H new ATOM 1166 N ALA A 74 13.827 -2.810 -0.556 1.00 0.00 N ATOM 1167 CA ALA A 74 14.681 -2.322 -1.675 1.00 0.00 C ATOM 1168 C ALA A 74 14.835 -0.801 -1.577 1.00 0.00 C ATOM 1169 O ALA A 74 14.047 -0.142 -0.931 1.00 0.00 O ATOM 1170 CB ALA A 74 14.021 -2.676 -3.008 1.00 0.00 C ATOM 0 H ALA A 74 12.846 -2.959 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 74 15.662 -2.793 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.644 -2.320 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.907 -3.758 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.041 -2.203 -3.065 1.00 0.00 H new ATOM 1176 N PRO A 75 15.849 -0.288 -2.230 1.00 0.00 N ATOM 1177 CA PRO A 75 16.117 1.143 -2.235 1.00 0.00 C ATOM 1178 C PRO A 75 14.855 1.911 -2.642 1.00 0.00 C ATOM 1179 O PRO A 75 13.946 1.360 -3.230 1.00 0.00 O ATOM 1180 CB PRO A 75 17.215 1.321 -3.279 1.00 0.00 C ATOM 1181 CG PRO A 75 17.912 -0.075 -3.317 1.00 0.00 C ATOM 1182 CD PRO A 75 16.794 -1.108 -3.002 1.00 0.00 C ATOM 0 HA PRO A 75 16.415 1.520 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.804 1.591 -4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 75 17.912 2.110 -2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.357 -0.265 -4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.716 -0.132 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.342 -1.513 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.168 -1.955 -2.427 1.00 0.00 H new ATOM 1190 N GLN A 76 14.790 3.177 -2.335 1.00 0.00 N ATOM 1191 CA GLN A 76 13.584 3.971 -2.707 1.00 0.00 C ATOM 1192 C GLN A 76 14.016 5.314 -3.300 1.00 0.00 C ATOM 1193 O GLN A 76 13.425 6.340 -3.033 1.00 0.00 O ATOM 1194 CB GLN A 76 12.731 4.215 -1.461 1.00 0.00 C ATOM 1195 CG GLN A 76 13.640 4.523 -0.269 1.00 0.00 C ATOM 1196 CD GLN A 76 12.916 5.461 0.697 1.00 0.00 C ATOM 1197 OE1 GLN A 76 12.238 5.015 1.602 1.00 0.00 O ATOM 1198 NE2 GLN A 76 13.031 6.752 0.544 1.00 0.00 N ATOM 0 H GLN A 76 15.518 3.696 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 76 13.002 3.420 -3.446 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.047 5.046 -1.633 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.120 3.338 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 76 13.914 3.599 0.241 1.00 0.00 H new ATOM 0 HG3 GLN A 76 14.566 4.983 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.600 7.127 -0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.552 7.386 1.184 1.00 0.00 H new ATOM 1207 N GLN A 77 15.036 5.313 -4.113 1.00 0.00 N ATOM 1208 CA GLN A 77 15.495 6.592 -4.729 1.00 0.00 C ATOM 1209 C GLN A 77 16.913 6.442 -5.314 1.00 0.00 C ATOM 1210 O GLN A 77 17.628 7.414 -5.452 1.00 0.00 O ATOM 1211 CB GLN A 77 15.524 7.691 -3.663 1.00 0.00 C ATOM 1212 CG GLN A 77 15.954 7.093 -2.322 1.00 0.00 C ATOM 1213 CD GLN A 77 16.676 8.159 -1.495 1.00 0.00 C ATOM 1214 OE1 GLN A 77 16.076 8.806 -0.660 1.00 0.00 O ATOM 1215 NE2 GLN A 77 17.949 8.372 -1.694 1.00 0.00 N ATOM 0 H GLN A 77 15.571 4.486 -4.377 1.00 0.00 H new ATOM 0 HA GLN A 77 14.802 6.852 -5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.215 8.481 -3.959 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.539 8.148 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.083 6.725 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.611 6.239 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.453 7.829 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.439 9.081 -1.149 1.00 0.00 H new ATOM 1224 N ASP A 78 17.333 5.248 -5.657 1.00 0.00 N ATOM 1225 CA ASP A 78 18.703 5.073 -6.221 1.00 0.00 C ATOM 1226 C ASP A 78 19.729 5.725 -5.272 1.00 0.00 C ATOM 1227 O ASP A 78 19.352 6.367 -4.311 1.00 0.00 O ATOM 1228 CB ASP A 78 18.745 5.682 -7.639 1.00 0.00 C ATOM 1229 CG ASP A 78 19.359 7.085 -7.630 1.00 0.00 C ATOM 1230 OD1 ASP A 78 18.615 8.036 -7.460 1.00 0.00 O ATOM 1231 OD2 ASP A 78 20.565 7.182 -7.798 1.00 0.00 O ATOM 0 H ASP A 78 16.786 4.391 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 78 18.958 4.017 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.324 5.034 -8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.735 5.728 -8.046 1.00 0.00 H new ATOM 1236 N PRO A 79 20.994 5.519 -5.551 1.00 0.00 N ATOM 1237 CA PRO A 79 22.073 6.052 -4.720 1.00 0.00 C ATOM 1238 C PRO A 79 22.270 7.565 -4.924 1.00 0.00 C ATOM 1239 O PRO A 79 23.291 8.114 -4.559 1.00 0.00 O ATOM 1240 CB PRO A 79 23.311 5.292 -5.181 1.00 0.00 C ATOM 1241 CG PRO A 79 22.976 4.901 -6.654 1.00 0.00 C ATOM 1242 CD PRO A 79 21.430 4.730 -6.714 1.00 0.00 C ATOM 0 HA PRO A 79 21.859 5.925 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.206 5.912 -5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 79 23.494 4.412 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.310 5.673 -7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.482 3.978 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.012 5.111 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.131 3.685 -6.634 1.00 0.00 H new ATOM 1250 N GLU A 80 21.318 8.241 -5.502 1.00 0.00 N ATOM 1251 CA GLU A 80 21.463 9.700 -5.724 1.00 0.00 C ATOM 1252 C GLU A 80 20.296 10.429 -5.057 1.00 0.00 C ATOM 1253 O GLU A 80 20.459 11.472 -4.457 1.00 0.00 O ATOM 1254 CB GLU A 80 21.433 9.960 -7.224 1.00 0.00 C ATOM 1255 CG GLU A 80 22.068 11.317 -7.529 1.00 0.00 C ATOM 1256 CD GLU A 80 21.926 11.626 -9.020 1.00 0.00 C ATOM 1257 OE1 GLU A 80 22.306 10.785 -9.817 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.439 12.698 -9.338 1.00 0.00 O ATOM 0 H GLU A 80 20.440 7.840 -5.832 1.00 0.00 H new ATOM 0 HA GLU A 80 22.401 10.058 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 80 21.970 9.171 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.405 9.940 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.586 12.096 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 80 23.121 11.309 -7.248 1.00 0.00 H new ATOM 1265 N GLY A 81 19.116 9.881 -5.163 1.00 0.00 N ATOM 1266 CA GLY A 81 17.927 10.531 -4.544 1.00 0.00 C ATOM 1267 C GLY A 81 16.715 10.337 -5.456 1.00 0.00 C ATOM 1268 O GLY A 81 15.595 10.239 -4.998 1.00 0.00 O ATOM 0 H GLY A 81 18.924 9.008 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.731 10.099 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.116 11.594 -4.392 1.00 0.00 H new ATOM 1272 N ASN A 82 16.932 10.278 -6.744 1.00 0.00 N ATOM 1273 CA ASN A 82 15.781 10.084 -7.680 1.00 0.00 C ATOM 1274 C ASN A 82 14.876 8.995 -7.112 1.00 0.00 C ATOM 1275 O ASN A 82 15.144 7.825 -7.279 1.00 0.00 O ATOM 1276 CB ASN A 82 16.256 9.637 -9.075 1.00 0.00 C ATOM 1277 CG ASN A 82 17.743 9.932 -9.274 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.194 11.037 -9.045 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.528 8.979 -9.699 1.00 0.00 N ATOM 0 H ASN A 82 17.848 10.355 -7.187 1.00 0.00 H new ATOM 0 HA ASN A 82 15.255 11.033 -7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.075 8.569 -9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.675 10.150 -9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.522 9.161 -9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.147 8.052 -9.891 1.00 0.00 H new ATOM 1286 N LYS A 83 13.817 9.373 -6.437 1.00 0.00 N ATOM 1287 CA LYS A 83 12.887 8.363 -5.842 1.00 0.00 C ATOM 1288 C LYS A 83 12.825 7.121 -6.720 1.00 0.00 C ATOM 1289 O LYS A 83 12.978 7.187 -7.920 1.00 0.00 O ATOM 1290 CB LYS A 83 11.499 8.964 -5.714 1.00 0.00 C ATOM 1291 CG LYS A 83 11.469 9.835 -4.463 1.00 0.00 C ATOM 1292 CD LYS A 83 10.096 9.735 -3.807 1.00 0.00 C ATOM 1293 CE LYS A 83 9.406 11.100 -3.845 1.00 0.00 C ATOM 1294 NZ LYS A 83 7.943 10.924 -3.623 1.00 0.00 N ATOM 0 H LYS A 83 13.556 10.345 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 83 13.256 8.081 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.259 9.558 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.749 8.176 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.242 9.514 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.685 10.871 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.487 8.994 -4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.199 9.397 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.825 11.752 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.583 11.582 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.424 11.222 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.740 9.923 -3.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.642 11.504 -2.814 1.00 0.00 H new ATOM 1308 N THR A 84 12.621 5.987 -6.124 1.00 0.00 N ATOM 1309 CA THR A 84 12.569 4.734 -6.920 1.00 0.00 C ATOM 1310 C THR A 84 11.292 3.971 -6.587 1.00 0.00 C ATOM 1311 O THR A 84 10.975 3.738 -5.436 1.00 0.00 O ATOM 1312 CB THR A 84 13.789 3.884 -6.583 1.00 0.00 C ATOM 1313 OG1 THR A 84 14.919 4.731 -6.446 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.044 2.885 -7.702 1.00 0.00 C ATOM 0 H THR A 84 12.488 5.871 -5.119 1.00 0.00 H new ATOM 0 HA THR A 84 12.572 4.968 -7.985 1.00 0.00 H new ATOM 0 HB THR A 84 13.612 3.345 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.451 4.702 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 84 14.917 2.280 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.174 2.238 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.224 3.421 -8.634 1.00 0.00 H new ATOM 1322 N MET A 85 10.548 3.588 -7.584 1.00 0.00 N ATOM 1323 CA MET A 85 9.288 2.851 -7.311 1.00 0.00 C ATOM 1324 C MET A 85 9.484 1.362 -7.607 1.00 0.00 C ATOM 1325 O MET A 85 10.439 0.966 -8.244 1.00 0.00 O ATOM 1326 CB MET A 85 8.154 3.432 -8.172 1.00 0.00 C ATOM 1327 CG MET A 85 8.071 2.704 -9.508 1.00 0.00 C ATOM 1328 SD MET A 85 6.687 3.354 -10.472 1.00 0.00 S ATOM 1329 CE MET A 85 5.758 1.806 -10.561 1.00 0.00 C ATOM 0 H MET A 85 10.756 3.752 -8.569 1.00 0.00 H new ATOM 0 HA MET A 85 9.020 2.962 -6.260 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.205 3.342 -7.643 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.326 4.495 -8.341 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.002 2.830 -10.060 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.941 1.634 -9.343 1.00 0.00 H new ATOM 0 HE1 MET A 85 4.791 1.988 -11.031 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.317 1.080 -11.151 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.605 1.415 -9.555 1.00 0.00 H new ATOM 1339 N VAL A 86 8.585 0.537 -7.150 1.00 0.00 N ATOM 1340 CA VAL A 86 8.719 -0.920 -7.408 1.00 0.00 C ATOM 1341 C VAL A 86 8.189 -1.246 -8.805 1.00 0.00 C ATOM 1342 O VAL A 86 7.258 -0.633 -9.284 1.00 0.00 O ATOM 1343 CB VAL A 86 7.911 -1.694 -6.365 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.804 -3.159 -6.786 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.614 -1.601 -5.009 1.00 0.00 C ATOM 0 H VAL A 86 7.764 0.810 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 86 9.769 -1.205 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 86 6.911 -1.267 -6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.228 -3.710 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.305 -3.224 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.803 -3.589 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.041 -2.152 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.613 -2.029 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.690 -0.556 -4.709 1.00 0.00 H new ATOM 1355 N ARG A 87 8.770 -2.213 -9.457 1.00 0.00 N ATOM 1356 CA ARG A 87 8.299 -2.596 -10.819 1.00 0.00 C ATOM 1357 C ARG A 87 8.182 -4.118 -10.882 1.00 0.00 C ATOM 1358 O ARG A 87 8.291 -4.796 -9.880 1.00 0.00 O ATOM 1359 CB ARG A 87 9.300 -2.126 -11.876 1.00 0.00 C ATOM 1360 CG ARG A 87 9.891 -0.780 -11.457 1.00 0.00 C ATOM 1361 CD ARG A 87 8.841 0.310 -11.660 1.00 0.00 C ATOM 1362 NE ARG A 87 9.515 1.589 -12.025 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.369 2.085 -13.223 1.00 0.00 C ATOM 1364 NH1 ARG A 87 9.295 1.287 -14.254 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.300 3.376 -13.391 1.00 0.00 N ATOM 0 H ARG A 87 9.556 -2.759 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 87 7.334 -2.129 -11.015 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.094 -2.863 -11.993 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.806 -2.033 -12.843 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.201 -0.814 -10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.781 -0.560 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.144 0.017 -12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.257 0.441 -10.749 1.00 0.00 H new ATOM 0 HE ARG A 87 10.090 2.076 -11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.351 0.277 -14.122 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.181 1.674 -15.191 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.360 3.999 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.186 3.763 -14.328 1.00 0.00 H new ATOM 1379 N PHE A 88 7.972 -4.666 -12.044 1.00 0.00 N ATOM 1380 CA PHE A 88 7.864 -6.148 -12.147 1.00 0.00 C ATOM 1381 C PHE A 88 8.563 -6.633 -13.416 1.00 0.00 C ATOM 1382 O PHE A 88 8.494 -6.010 -14.456 1.00 0.00 O ATOM 1383 CB PHE A 88 6.395 -6.567 -12.193 1.00 0.00 C ATOM 1384 CG PHE A 88 6.319 -8.073 -12.272 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.627 -8.728 -13.470 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.949 -8.815 -11.144 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.564 -10.123 -13.541 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.887 -10.212 -11.215 1.00 0.00 C ATOM 1389 CZ PHE A 88 6.196 -10.865 -12.414 1.00 0.00 C ATOM 0 H PHE A 88 7.871 -4.157 -12.922 1.00 0.00 H new ATOM 0 HA PHE A 88 8.340 -6.593 -11.273 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.873 -6.209 -11.306 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.902 -6.119 -13.056 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.913 -8.156 -14.340 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.711 -8.310 -10.219 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.800 -10.628 -14.466 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.601 -10.785 -10.345 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.150 -11.943 -12.469 1.00 0.00 H new ATOM 1399 N SER A 89 9.228 -7.752 -13.336 1.00 0.00 N ATOM 1400 CA SER A 89 9.926 -8.296 -14.532 1.00 0.00 C ATOM 1401 C SER A 89 9.330 -9.660 -14.876 1.00 0.00 C ATOM 1402 O SER A 89 9.164 -10.508 -14.021 1.00 0.00 O ATOM 1403 CB SER A 89 11.418 -8.453 -14.228 1.00 0.00 C ATOM 1404 OG SER A 89 11.734 -7.734 -13.044 1.00 0.00 O ATOM 0 H SER A 89 9.318 -8.315 -12.490 1.00 0.00 H new ATOM 0 HA SER A 89 9.801 -7.614 -15.373 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.667 -9.507 -14.104 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.012 -8.081 -15.063 1.00 0.00 H new ATOM 0 HG SER A 89 12.689 -7.834 -12.846 1.00 0.00 H new ATOM 1410 N ARG A 90 9.002 -9.881 -16.120 1.00 0.00 N ATOM 1411 CA ARG A 90 8.414 -11.193 -16.508 1.00 0.00 C ATOM 1412 C ARG A 90 9.538 -12.159 -16.880 1.00 0.00 C ATOM 1413 O ARG A 90 9.346 -13.358 -16.938 1.00 0.00 O ATOM 1414 CB ARG A 90 7.482 -11.002 -17.706 1.00 0.00 C ATOM 1415 CG ARG A 90 6.337 -12.013 -17.629 1.00 0.00 C ATOM 1416 CD ARG A 90 5.623 -12.081 -18.980 1.00 0.00 C ATOM 1417 NE ARG A 90 4.950 -13.403 -19.120 1.00 0.00 N ATOM 1418 CZ ARG A 90 4.045 -13.579 -20.043 1.00 0.00 C ATOM 1419 NH1 ARG A 90 4.398 -13.667 -21.296 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.785 -13.669 -19.712 1.00 0.00 N ATOM 0 H ARG A 90 9.116 -9.212 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 90 7.845 -11.601 -15.672 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.085 -9.987 -17.713 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.036 -11.134 -18.636 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.724 -12.996 -17.360 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.634 -11.723 -16.848 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.890 -11.278 -19.057 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.339 -11.938 -19.789 1.00 0.00 H new ATOM 0 HE ARG A 90 5.197 -14.170 -18.494 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.382 -13.598 -21.555 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.690 -13.805 -22.017 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.509 -13.602 -18.732 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.077 -13.807 -20.433 1.00 0.00 H new ATOM 1434 N LYS A 91 10.713 -11.649 -17.123 1.00 0.00 N ATOM 1435 CA LYS A 91 11.850 -12.541 -17.480 1.00 0.00 C ATOM 1436 C LYS A 91 12.173 -13.436 -16.283 1.00 0.00 C ATOM 1437 O LYS A 91 12.738 -14.502 -16.426 1.00 0.00 O ATOM 1438 CB LYS A 91 13.075 -11.695 -17.832 1.00 0.00 C ATOM 1439 CG LYS A 91 12.922 -11.138 -19.248 1.00 0.00 C ATOM 1440 CD LYS A 91 11.940 -9.964 -19.232 1.00 0.00 C ATOM 1441 CE LYS A 91 12.392 -8.935 -18.192 1.00 0.00 C ATOM 1442 NZ LYS A 91 13.874 -8.787 -18.253 1.00 0.00 N ATOM 0 H LYS A 91 10.935 -10.654 -17.090 1.00 0.00 H new ATOM 0 HA LYS A 91 11.581 -13.156 -18.339 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.183 -10.878 -17.118 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.979 -12.300 -17.764 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.890 -10.811 -19.628 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.562 -11.917 -19.920 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.892 -9.503 -20.218 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.937 -10.318 -18.996 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.912 -7.975 -18.381 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.088 -9.252 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.144 -7.849 -17.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.321 -9.522 -17.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.193 -8.887 -19.238 1.00 0.00 H new ATOM 1456 N THR A 92 11.816 -13.009 -15.102 1.00 0.00 N ATOM 1457 CA THR A 92 12.100 -13.833 -13.893 1.00 0.00 C ATOM 1458 C THR A 92 10.910 -13.763 -12.934 1.00 0.00 C ATOM 1459 O THR A 92 10.971 -14.248 -11.822 1.00 0.00 O ATOM 1460 CB THR A 92 13.349 -13.295 -13.192 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.290 -11.876 -13.147 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.598 -13.731 -13.958 1.00 0.00 C ATOM 0 H THR A 92 11.340 -12.125 -14.922 1.00 0.00 H new ATOM 0 HA THR A 92 12.266 -14.868 -14.191 1.00 0.00 H new ATOM 0 HB THR A 92 13.394 -13.691 -12.177 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.666 -11.560 -12.299 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.486 -13.346 -13.456 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.643 -14.820 -13.991 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.557 -13.339 -14.974 1.00 0.00 H new ATOM 1470 N LYS A 93 9.830 -13.161 -13.352 1.00 0.00 N ATOM 1471 CA LYS A 93 8.644 -13.061 -12.455 1.00 0.00 C ATOM 1472 C LYS A 93 9.092 -12.564 -11.080 1.00 0.00 C ATOM 1473 O LYS A 93 8.887 -13.216 -10.076 1.00 0.00 O ATOM 1474 CB LYS A 93 7.993 -14.439 -12.314 1.00 0.00 C ATOM 1475 CG LYS A 93 6.999 -14.654 -13.456 1.00 0.00 C ATOM 1476 CD LYS A 93 6.151 -15.896 -13.171 1.00 0.00 C ATOM 1477 CE LYS A 93 4.786 -15.467 -12.630 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.140 -14.534 -13.596 1.00 0.00 N ATOM 0 H LYS A 93 9.718 -12.736 -14.272 1.00 0.00 H new ATOM 0 HA LYS A 93 7.922 -12.362 -12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.756 -15.217 -12.331 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.482 -14.515 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.357 -13.780 -13.562 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.533 -14.774 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.026 -16.481 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.656 -16.536 -12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.154 -16.341 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.903 -14.981 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.110 -14.680 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.354 -13.553 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 4.505 -14.717 -14.553 1.00 0.00 H new ATOM 1492 N GLN A 94 9.708 -11.414 -11.026 1.00 0.00 N ATOM 1493 CA GLN A 94 10.173 -10.880 -9.715 1.00 0.00 C ATOM 1494 C GLN A 94 9.866 -9.383 -9.631 1.00 0.00 C ATOM 1495 O GLN A 94 9.184 -8.831 -10.471 1.00 0.00 O ATOM 1496 CB GLN A 94 11.681 -11.097 -9.583 1.00 0.00 C ATOM 1497 CG GLN A 94 11.972 -12.594 -9.461 1.00 0.00 C ATOM 1498 CD GLN A 94 13.395 -12.878 -9.946 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.959 -12.107 -10.696 1.00 0.00 O ATOM 1500 NE2 GLN A 94 14.003 -13.962 -9.548 1.00 0.00 N ATOM 0 H GLN A 94 9.909 -10.822 -11.832 1.00 0.00 H new ATOM 0 HA GLN A 94 9.656 -11.401 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.196 -10.685 -10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.060 -10.569 -8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.859 -12.914 -8.425 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.255 -13.164 -10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.530 -14.610 -8.918 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.951 -14.161 -9.867 1.00 0.00 H new ATOM 1509 N GLN A 95 10.365 -8.723 -8.621 1.00 0.00 N ATOM 1510 CA GLN A 95 10.101 -7.262 -8.485 1.00 0.00 C ATOM 1511 C GLN A 95 11.393 -6.477 -8.719 1.00 0.00 C ATOM 1512 O GLN A 95 12.430 -6.785 -8.164 1.00 0.00 O ATOM 1513 CB GLN A 95 9.585 -6.955 -7.075 1.00 0.00 C ATOM 1514 CG GLN A 95 8.204 -7.586 -6.857 1.00 0.00 C ATOM 1515 CD GLN A 95 7.350 -7.436 -8.120 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.445 -8.236 -9.029 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.516 -6.438 -8.214 1.00 0.00 N ATOM 0 H GLN A 95 10.943 -9.131 -7.886 1.00 0.00 H new ATOM 0 HA GLN A 95 9.353 -6.971 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.287 -7.337 -6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.525 -5.876 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.313 -8.641 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.706 -7.108 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.436 -5.766 -7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.943 -6.329 -9.051 1.00 0.00 H new ATOM 1526 N TYR A 96 11.334 -5.453 -9.524 1.00 0.00 N ATOM 1527 CA TYR A 96 12.549 -4.632 -9.783 1.00 0.00 C ATOM 1528 C TYR A 96 12.173 -3.151 -9.658 1.00 0.00 C ATOM 1529 O TYR A 96 11.244 -2.689 -10.281 1.00 0.00 O ATOM 1530 CB TYR A 96 13.092 -4.935 -11.190 1.00 0.00 C ATOM 1531 CG TYR A 96 12.354 -4.120 -12.229 1.00 0.00 C ATOM 1532 CD1 TYR A 96 12.691 -2.776 -12.429 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.340 -4.710 -12.994 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.013 -2.021 -13.392 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.663 -3.954 -13.959 1.00 0.00 C ATOM 1536 CZ TYR A 96 10.999 -2.609 -14.157 1.00 0.00 C ATOM 1537 OH TYR A 96 10.332 -1.864 -15.108 1.00 0.00 O ATOM 0 H TYR A 96 10.494 -5.149 -10.015 1.00 0.00 H new ATOM 0 HA TYR A 96 13.327 -4.871 -9.058 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.158 -4.709 -11.232 1.00 0.00 H new ATOM 0 HB3 TYR A 96 12.983 -5.997 -11.408 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.474 -2.322 -11.840 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.080 -5.747 -12.840 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.272 -0.984 -13.545 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.882 -4.408 -14.550 1.00 0.00 H new ATOM 0 HH TYR A 96 9.660 -2.424 -15.550 1.00 0.00 H new ATOM 1547 N VAL A 97 12.873 -2.405 -8.852 1.00 0.00 N ATOM 1548 CA VAL A 97 12.523 -0.964 -8.694 1.00 0.00 C ATOM 1549 C VAL A 97 13.267 -0.138 -9.739 1.00 0.00 C ATOM 1550 O VAL A 97 14.182 -0.608 -10.379 1.00 0.00 O ATOM 1551 CB VAL A 97 12.934 -0.489 -7.301 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.041 -1.145 -6.253 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.390 -0.878 -7.044 1.00 0.00 C ATOM 0 H VAL A 97 13.667 -2.726 -8.298 1.00 0.00 H new ATOM 0 HA VAL A 97 11.448 -0.840 -8.825 1.00 0.00 H new ATOM 0 HB VAL A 97 12.827 0.594 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.335 -0.805 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.002 -0.871 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.146 -2.228 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.687 -0.541 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.493 -1.961 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.029 -0.410 -7.792 1.00 0.00 H new ATOM 1563 N SER A 98 12.876 1.092 -9.915 1.00 0.00 N ATOM 1564 CA SER A 98 13.563 1.952 -10.914 1.00 0.00 C ATOM 1565 C SER A 98 13.453 3.417 -10.481 1.00 0.00 C ATOM 1566 O SER A 98 12.372 3.927 -10.254 1.00 0.00 O ATOM 1567 CB SER A 98 12.912 1.761 -12.283 1.00 0.00 C ATOM 1568 OG SER A 98 13.915 1.440 -13.237 1.00 0.00 O ATOM 0 H SER A 98 12.110 1.538 -9.410 1.00 0.00 H new ATOM 0 HA SER A 98 14.615 1.675 -10.978 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.169 0.965 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.388 2.670 -12.580 1.00 0.00 H new ATOM 0 HG SER A 98 14.687 2.031 -13.112 1.00 0.00 H new ATOM 1574 N SER A 99 14.560 4.099 -10.366 1.00 0.00 N ATOM 1575 CA SER A 99 14.518 5.529 -9.952 1.00 0.00 C ATOM 1576 C SER A 99 13.912 6.359 -11.086 1.00 0.00 C ATOM 1577 O SER A 99 14.398 6.347 -12.199 1.00 0.00 O ATOM 1578 CB SER A 99 15.936 6.024 -9.673 1.00 0.00 C ATOM 1579 OG SER A 99 16.476 6.598 -10.856 1.00 0.00 O ATOM 0 H SER A 99 15.493 3.726 -10.541 1.00 0.00 H new ATOM 0 HA SER A 99 13.914 5.630 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.924 6.761 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.562 5.197 -9.338 1.00 0.00 H new ATOM 0 HG SER A 99 16.065 6.178 -11.640 1.00 0.00 H new ATOM 1585 N GLU A 100 12.859 7.081 -10.820 1.00 0.00 N ATOM 1586 CA GLU A 100 12.238 7.909 -11.890 1.00 0.00 C ATOM 1587 C GLU A 100 12.064 9.341 -11.381 1.00 0.00 C ATOM 1588 O GLU A 100 11.325 9.594 -10.450 1.00 0.00 O ATOM 1589 CB GLU A 100 10.871 7.328 -12.259 1.00 0.00 C ATOM 1590 CG GLU A 100 10.496 7.764 -13.676 1.00 0.00 C ATOM 1591 CD GLU A 100 9.206 8.585 -13.633 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.216 8.070 -13.137 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.227 9.713 -14.096 1.00 0.00 O ATOM 0 H GLU A 100 12.403 7.133 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 100 12.879 7.909 -12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.898 6.240 -12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.116 7.669 -11.551 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.302 8.355 -14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.362 6.890 -14.313 1.00 0.00 H new ATOM 1600 N LYS A 101 12.745 10.280 -11.979 1.00 0.00 N ATOM 1601 CA LYS A 101 12.624 11.694 -11.526 1.00 0.00 C ATOM 1602 C LYS A 101 11.158 12.125 -11.532 1.00 0.00 C ATOM 1603 O LYS A 101 10.258 11.313 -11.610 1.00 0.00 O ATOM 1604 CB LYS A 101 13.426 12.593 -12.446 1.00 0.00 C ATOM 1605 CG LYS A 101 14.516 13.252 -11.612 1.00 0.00 C ATOM 1606 CD LYS A 101 15.821 13.259 -12.395 1.00 0.00 C ATOM 1607 CE LYS A 101 16.271 14.701 -12.631 1.00 0.00 C ATOM 1608 NZ LYS A 101 17.697 14.849 -12.223 1.00 0.00 N ATOM 0 H LYS A 101 13.380 10.128 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 101 13.011 11.776 -10.511 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.864 12.015 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.783 13.347 -12.900 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.227 14.272 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.646 12.714 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.589 12.713 -11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.687 12.749 -13.349 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.153 14.963 -13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.645 15.387 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.004 15.830 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.795 14.616 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.288 14.205 -12.786 1.00 0.00 H new ATOM 1622 N ASP A 102 10.915 13.403 -11.442 1.00 0.00 N ATOM 1623 CA ASP A 102 9.509 13.901 -11.431 1.00 0.00 C ATOM 1624 C ASP A 102 8.779 13.447 -12.695 1.00 0.00 C ATOM 1625 O ASP A 102 7.568 13.504 -12.777 1.00 0.00 O ATOM 1626 CB ASP A 102 9.511 15.430 -11.363 1.00 0.00 C ATOM 1627 CG ASP A 102 8.287 15.908 -10.579 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.252 16.101 -11.195 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.407 16.072 -9.377 1.00 0.00 O ATOM 0 H ASP A 102 11.631 14.127 -11.375 1.00 0.00 H new ATOM 0 HA ASP A 102 8.995 13.495 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.424 15.782 -10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.498 15.849 -12.369 1.00 0.00 H new ATOM 1634 N GLY A 103 9.500 12.997 -13.680 1.00 0.00 N ATOM 1635 CA GLY A 103 8.838 12.539 -14.935 1.00 0.00 C ATOM 1636 C GLY A 103 9.850 12.535 -16.082 1.00 0.00 C ATOM 1637 O GLY A 103 9.615 13.102 -17.131 1.00 0.00 O ATOM 0 H GLY A 103 10.517 12.926 -13.673 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.427 11.539 -14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.003 13.196 -15.177 1.00 0.00 H new ATOM 1641 N LYS A 104 10.974 11.900 -15.895 1.00 0.00 N ATOM 1642 CA LYS A 104 11.997 11.861 -16.980 1.00 0.00 C ATOM 1643 C LYS A 104 12.627 10.468 -17.051 1.00 0.00 C ATOM 1644 O LYS A 104 13.557 10.239 -17.798 1.00 0.00 O ATOM 1645 CB LYS A 104 13.094 12.896 -16.705 1.00 0.00 C ATOM 1646 CG LYS A 104 13.185 13.174 -15.205 1.00 0.00 C ATOM 1647 CD LYS A 104 12.469 14.488 -14.884 1.00 0.00 C ATOM 1648 CE LYS A 104 13.484 15.512 -14.375 1.00 0.00 C ATOM 1649 NZ LYS A 104 13.986 16.325 -15.518 1.00 0.00 N ATOM 0 H LYS A 104 11.229 11.407 -15.039 1.00 0.00 H new ATOM 0 HA LYS A 104 11.511 12.091 -17.928 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.052 12.530 -17.074 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.877 13.819 -17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.733 12.355 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.229 13.232 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.968 14.868 -15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.698 14.320 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.021 16.159 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.314 15.004 -13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.676 17.022 -15.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.443 15.701 -16.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.190 16.821 -15.968 1.00 0.00 H new ATOM 1663 N ALA A 105 12.131 9.535 -16.280 1.00 0.00 N ATOM 1664 CA ALA A 105 12.707 8.160 -16.305 1.00 0.00 C ATOM 1665 C ALA A 105 14.232 8.255 -16.350 1.00 0.00 C ATOM 1666 O ALA A 105 14.840 8.142 -17.396 1.00 0.00 O ATOM 1667 CB ALA A 105 12.208 7.415 -17.543 1.00 0.00 C ATOM 0 H ALA A 105 11.352 9.667 -15.635 1.00 0.00 H new ATOM 0 HA ALA A 105 12.397 7.620 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.631 6.410 -17.558 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.120 7.350 -17.515 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.517 7.952 -18.440 1.00 0.00 H new ATOM 1673 N THR A 106 14.854 8.470 -15.225 1.00 0.00 N ATOM 1674 CA THR A 106 16.338 8.582 -15.203 1.00 0.00 C ATOM 1675 C THR A 106 16.959 7.366 -15.897 1.00 0.00 C ATOM 1676 O THR A 106 16.973 7.273 -17.108 1.00 0.00 O ATOM 1677 CB THR A 106 16.814 8.671 -13.751 1.00 0.00 C ATOM 1678 OG1 THR A 106 15.952 7.904 -12.925 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.793 10.130 -13.297 1.00 0.00 C ATOM 0 H THR A 106 14.398 8.573 -14.319 1.00 0.00 H new ATOM 0 HA THR A 106 16.649 9.481 -15.736 1.00 0.00 H new ATOM 0 HB THR A 106 17.830 8.283 -13.675 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.351 7.808 -12.035 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.132 10.194 -12.263 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.454 10.718 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.778 10.519 -13.371 1.00 0.00 H new ATOM 1687 N GLY A 107 17.474 6.432 -15.149 1.00 0.00 N ATOM 1688 CA GLY A 107 18.090 5.231 -15.777 1.00 0.00 C ATOM 1689 C GLY A 107 18.474 4.232 -14.688 1.00 0.00 C ATOM 1690 O GLY A 107 19.386 3.445 -14.845 1.00 0.00 O ATOM 0 H GLY A 107 17.495 6.448 -14.129 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.390 4.773 -16.476 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.972 5.518 -16.350 1.00 0.00 H new ATOM 1694 N TRP A 108 17.785 4.259 -13.581 1.00 0.00 N ATOM 1695 CA TRP A 108 18.114 3.310 -12.480 1.00 0.00 C ATOM 1696 C TRP A 108 17.042 2.224 -12.401 1.00 0.00 C ATOM 1697 O TRP A 108 15.859 2.497 -12.442 1.00 0.00 O ATOM 1698 CB TRP A 108 18.168 4.064 -11.152 1.00 0.00 C ATOM 1699 CG TRP A 108 18.919 3.253 -10.145 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.267 3.197 -10.048 1.00 0.00 C ATOM 1701 CD2 TRP A 108 18.398 2.383 -9.093 1.00 0.00 C ATOM 1702 NE1 TRP A 108 20.607 2.355 -9.006 1.00 0.00 N ATOM 1703 CE2 TRP A 108 19.492 1.828 -8.387 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.097 2.025 -8.684 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.305 0.952 -7.317 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 16.908 1.142 -7.608 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.010 0.608 -6.926 1.00 0.00 C ATOM 0 H TRP A 108 17.011 4.895 -13.391 1.00 0.00 H new ATOM 0 HA TRP A 108 19.083 2.852 -12.679 1.00 0.00 H new ATOM 0 HB2 TRP A 108 18.653 5.030 -11.290 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.158 4.263 -10.794 1.00 0.00 H new ATOM 0 HD1 TRP A 108 20.964 3.725 -10.682 1.00 0.00 H new ATOM 0 HE1 TRP A 108 21.566 2.148 -8.728 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.241 2.432 -9.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.157 0.543 -6.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 15.907 0.873 -7.304 1.00 0.00 H new ATOM 0 HH2 TRP A 108 17.857 -0.069 -6.099 1.00 0.00 H new ATOM 1718 N SER A 109 17.450 0.992 -12.283 1.00 0.00 N ATOM 1719 CA SER A 109 16.464 -0.119 -12.195 1.00 0.00 C ATOM 1720 C SER A 109 17.081 -1.270 -11.394 1.00 0.00 C ATOM 1721 O SER A 109 17.864 -2.044 -11.908 1.00 0.00 O ATOM 1722 CB SER A 109 16.118 -0.607 -13.602 1.00 0.00 C ATOM 1723 OG SER A 109 17.230 -1.308 -14.142 1.00 0.00 O ATOM 0 H SER A 109 18.428 0.706 -12.244 1.00 0.00 H new ATOM 0 HA SER A 109 15.557 0.231 -11.702 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.244 -1.258 -13.569 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.862 0.239 -14.240 1.00 0.00 H new ATOM 0 HG SER A 109 17.431 -2.086 -13.580 1.00 0.00 H new ATOM 1729 N ALA A 110 16.747 -1.386 -10.137 1.00 0.00 N ATOM 1730 CA ALA A 110 17.329 -2.480 -9.310 1.00 0.00 C ATOM 1731 C ALA A 110 16.454 -3.730 -9.413 1.00 0.00 C ATOM 1732 O ALA A 110 15.276 -3.656 -9.700 1.00 0.00 O ATOM 1733 CB ALA A 110 17.407 -2.032 -7.849 1.00 0.00 C ATOM 0 H ALA A 110 16.097 -0.771 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 110 18.330 -2.710 -9.675 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.833 -2.833 -7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.037 -1.146 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.406 -1.797 -7.487 1.00 0.00 H new ATOM 1739 N PHE A 111 17.029 -4.880 -9.186 1.00 0.00 N ATOM 1740 CA PHE A 111 16.239 -6.141 -9.276 1.00 0.00 C ATOM 1741 C PHE A 111 16.365 -6.931 -7.974 1.00 0.00 C ATOM 1742 O PHE A 111 17.424 -7.018 -7.390 1.00 0.00 O ATOM 1743 CB PHE A 111 16.769 -6.999 -10.430 1.00 0.00 C ATOM 1744 CG PHE A 111 16.846 -6.172 -11.688 1.00 0.00 C ATOM 1745 CD1 PHE A 111 17.972 -5.377 -11.931 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.797 -6.205 -12.613 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.049 -4.615 -13.100 1.00 0.00 C ATOM 1748 CE2 PHE A 111 15.875 -5.441 -13.783 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.002 -4.647 -14.026 1.00 0.00 C ATOM 0 H PHE A 111 18.012 -5.001 -8.942 1.00 0.00 H new ATOM 0 HA PHE A 111 15.193 -5.889 -9.450 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.755 -7.391 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.115 -7.857 -10.587 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.781 -5.352 -11.216 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.929 -6.819 -12.425 1.00 0.00 H new ATOM 0 HE1 PHE A 111 18.918 -4.001 -13.288 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.066 -5.464 -14.498 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.063 -4.059 -14.930 1.00 0.00 H new ATOM 1759 N TYR A 112 15.293 -7.516 -7.521 1.00 0.00 N ATOM 1760 CA TYR A 112 15.356 -8.308 -6.263 1.00 0.00 C ATOM 1761 C TYR A 112 15.752 -9.747 -6.591 1.00 0.00 C ATOM 1762 O TYR A 112 14.952 -10.522 -7.076 1.00 0.00 O ATOM 1763 CB TYR A 112 13.984 -8.303 -5.587 1.00 0.00 C ATOM 1764 CG TYR A 112 14.120 -8.798 -4.169 1.00 0.00 C ATOM 1765 CD1 TYR A 112 15.086 -8.238 -3.326 1.00 0.00 C ATOM 1766 CD2 TYR A 112 13.283 -9.816 -3.697 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.216 -8.694 -2.009 1.00 0.00 C ATOM 1768 CE2 TYR A 112 13.412 -10.271 -2.380 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.379 -9.711 -1.536 1.00 0.00 C ATOM 1770 OH TYR A 112 14.505 -10.161 -0.238 1.00 0.00 O ATOM 0 H TYR A 112 14.376 -7.480 -7.967 1.00 0.00 H new ATOM 0 HA TYR A 112 16.094 -7.867 -5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.567 -7.296 -5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.292 -8.938 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.732 -7.453 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.539 -10.250 -4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.962 -8.261 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.765 -11.055 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 112 14.417 -11.137 -0.220 1.00 0.00 H new ATOM 1780 N VAL A 113 16.975 -10.120 -6.326 1.00 0.00 N ATOM 1781 CA VAL A 113 17.399 -11.510 -6.621 1.00 0.00 C ATOM 1782 C VAL A 113 17.118 -12.364 -5.384 1.00 0.00 C ATOM 1783 O VAL A 113 16.162 -12.136 -4.679 1.00 0.00 O ATOM 1784 CB VAL A 113 18.893 -11.542 -6.970 1.00 0.00 C ATOM 1785 CG1 VAL A 113 19.190 -12.789 -7.806 1.00 0.00 C ATOM 1786 CG2 VAL A 113 19.269 -10.299 -7.789 1.00 0.00 C ATOM 0 H VAL A 113 17.694 -9.521 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 113 16.847 -11.902 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 113 19.472 -11.559 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 113 20.251 -12.815 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.930 -13.680 -7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.602 -12.761 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 113 20.331 -10.331 -8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.687 -10.280 -8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 113 19.057 -9.402 -7.207 1.00 0.00 H new ATOM 1796 N ASP A 114 17.952 -13.316 -5.087 1.00 0.00 N ATOM 1797 CA ASP A 114 17.714 -14.155 -3.875 1.00 0.00 C ATOM 1798 C ASP A 114 17.944 -13.264 -2.677 1.00 0.00 C ATOM 1799 O ASP A 114 19.045 -13.168 -2.171 1.00 0.00 O ATOM 1800 CB ASP A 114 18.693 -15.331 -3.851 1.00 0.00 C ATOM 1801 CG ASP A 114 18.039 -16.526 -3.156 1.00 0.00 C ATOM 1802 OD1 ASP A 114 17.719 -16.403 -1.985 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.869 -17.544 -3.806 1.00 0.00 O ATOM 0 H ASP A 114 18.786 -13.552 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 114 16.703 -14.562 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.979 -15.600 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.606 -15.047 -3.327 1.00 0.00 H new ATOM 1808 N GLY A 115 16.937 -12.545 -2.255 1.00 0.00 N ATOM 1809 CA GLY A 115 17.158 -11.595 -1.141 1.00 0.00 C ATOM 1810 C GLY A 115 18.392 -10.791 -1.533 1.00 0.00 C ATOM 1811 O GLY A 115 19.142 -10.318 -0.704 1.00 0.00 O ATOM 0 H GLY A 115 15.989 -12.577 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.294 -10.945 -1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.315 -12.123 -0.200 1.00 0.00 H new ATOM 1815 N LYS A 116 18.623 -10.686 -2.826 1.00 0.00 N ATOM 1816 CA LYS A 116 19.833 -9.970 -3.309 1.00 0.00 C ATOM 1817 C LYS A 116 19.460 -8.854 -4.286 1.00 0.00 C ATOM 1818 O LYS A 116 19.597 -9.002 -5.482 1.00 0.00 O ATOM 1819 CB LYS A 116 20.751 -10.965 -4.023 1.00 0.00 C ATOM 1820 CG LYS A 116 21.977 -11.246 -3.150 1.00 0.00 C ATOM 1821 CD LYS A 116 21.546 -11.999 -1.889 1.00 0.00 C ATOM 1822 CE LYS A 116 22.533 -11.707 -0.757 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.921 -11.989 -1.223 1.00 0.00 N ATOM 0 H LYS A 116 18.023 -11.067 -3.557 1.00 0.00 H new ATOM 0 HA LYS A 116 20.337 -9.527 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 116 20.214 -11.892 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 116 21.062 -10.562 -4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.705 -11.835 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.465 -10.310 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.541 -11.695 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.510 -13.070 -2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.447 -10.666 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.298 -12.321 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.553 -12.073 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.932 -12.879 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 24.247 -11.212 -1.832 1.00 0.00 H new ATOM 1837 N TRP A 117 19.008 -7.731 -3.799 1.00 0.00 N ATOM 1838 CA TRP A 117 18.661 -6.626 -4.734 1.00 0.00 C ATOM 1839 C TRP A 117 19.867 -6.341 -5.632 1.00 0.00 C ATOM 1840 O TRP A 117 20.984 -6.700 -5.316 1.00 0.00 O ATOM 1841 CB TRP A 117 18.298 -5.372 -3.940 1.00 0.00 C ATOM 1842 CG TRP A 117 16.844 -5.412 -3.603 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.342 -5.633 -2.367 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.697 -5.242 -4.488 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.961 -5.611 -2.435 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.515 -5.370 -3.720 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.566 -4.989 -5.868 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.250 -5.253 -4.299 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.298 -4.870 -6.450 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.141 -5.001 -5.668 1.00 0.00 C ATOM 0 H TRP A 117 18.866 -7.533 -2.809 1.00 0.00 H new ATOM 0 HA TRP A 117 17.806 -6.915 -5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.894 -5.318 -3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.525 -4.479 -4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.924 -5.799 -1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.346 -5.755 -1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.449 -4.886 -6.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.362 -5.357 -3.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.210 -4.676 -7.509 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.167 -4.907 -6.124 1.00 0.00 H new ATOM 1861 N VAL A 118 19.654 -5.707 -6.750 1.00 0.00 N ATOM 1862 CA VAL A 118 20.791 -5.411 -7.669 1.00 0.00 C ATOM 1863 C VAL A 118 20.514 -4.103 -8.410 1.00 0.00 C ATOM 1864 O VAL A 118 19.550 -3.418 -8.135 1.00 0.00 O ATOM 1865 CB VAL A 118 20.946 -6.549 -8.686 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.992 -7.543 -8.192 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.616 -7.281 -8.855 1.00 0.00 C ATOM 0 H VAL A 118 18.742 -5.380 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 118 21.710 -5.319 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 118 21.258 -6.125 -9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 118 22.099 -8.350 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.949 -7.035 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.677 -7.956 -7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.734 -8.088 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.305 -7.696 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.859 -6.582 -9.211 1.00 0.00 H new ATOM 1877 N GLU A 119 21.348 -3.751 -9.350 1.00 0.00 N ATOM 1878 CA GLU A 119 21.128 -2.486 -10.107 1.00 0.00 C ATOM 1879 C GLU A 119 21.717 -2.621 -11.513 1.00 0.00 C ATOM 1880 O GLU A 119 22.907 -2.800 -11.683 1.00 0.00 O ATOM 1881 CB GLU A 119 21.805 -1.325 -9.374 1.00 0.00 C ATOM 1882 CG GLU A 119 23.323 -1.421 -9.550 1.00 0.00 C ATOM 1883 CD GLU A 119 24.018 -0.917 -8.283 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.385 -0.930 -7.239 1.00 0.00 O ATOM 1885 OE2 GLU A 119 25.170 -0.528 -8.378 1.00 0.00 O ATOM 0 H GLU A 119 22.172 -4.285 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 119 20.058 -2.290 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.443 -0.374 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.549 -1.352 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 119 23.612 -2.453 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.638 -0.830 -10.410 1.00 0.00 H new ATOM 1892 N GLY A 120 20.894 -2.538 -12.523 1.00 0.00 N ATOM 1893 CA GLY A 120 21.409 -2.662 -13.916 1.00 0.00 C ATOM 1894 C GLY A 120 21.275 -1.318 -14.634 1.00 0.00 C ATOM 1895 O GLY A 120 21.779 -0.309 -14.182 1.00 0.00 O ATOM 0 H GLY A 120 19.888 -2.390 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.453 -2.976 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.852 -3.430 -14.453 1.00 0.00 H new