USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 871 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 Single : A 11 LYS NZ :NH3+ 161:sc= -0.031 (180deg=-0.266) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 17 CYS SG : rot -109:sc= -6.09! USER MOD Single : A 21 TYR OH : rot -170:sc= -0.579 USER MOD Single : A 22 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.2) USER MOD Single : A 35 THR OG1 : rot -104:sc= -0.0285 USER MOD Single : A 38 TYR OH : rot 95:sc= -0.602 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 48 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.79) USER MOD Single : A 52 TYR OH : rot -20:sc= 0.0238 USER MOD Single : A 53 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.46) USER MOD Single : A 54 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.011) USER MOD Single : A 57 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.64) USER MOD Single : A 58 GLN : amide:sc= -0.238 K(o=-0.24,f=-4.6!) USER MOD Single : A 59 CYS SG : rot 124:sc= -0.56 USER MOD Single : A 60 THR OG1 : rot 176:sc= -1.84! USER MOD Single : A 87 THR OG1 : rot -62:sc= 0.392 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.22 K(o=-3.2,f=-9.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 89:sc= 0.9 USER MOD Single : A 103 THR OG1 : rot 94:sc= 0.458 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -3.38 K(o=-3.4,f=-8.3!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -124:sc= -0.0414 (180deg=-0.346) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.342 8.988 8.467 1.00 0.00 N ATOM 117 CA LYS A 11 -9.085 9.574 8.919 1.00 0.00 C ATOM 118 C LYS A 11 -7.961 8.543 8.883 1.00 0.00 C ATOM 119 O LYS A 11 -8.176 7.390 8.510 1.00 0.00 O ATOM 120 CB LYS A 11 -9.237 10.129 10.336 1.00 0.00 C ATOM 121 CG LYS A 11 -10.184 11.313 10.427 1.00 0.00 C ATOM 122 CD LYS A 11 -9.868 12.189 11.628 1.00 0.00 C ATOM 123 CE LYS A 11 -8.714 13.136 11.339 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.097 14.197 10.367 1.00 0.00 N ATOM 0 HA LYS A 11 -8.829 10.389 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.597 9.336 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.257 10.429 10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.115 11.906 9.515 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.211 10.954 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.752 12.764 11.903 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.619 11.560 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.382 13.598 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.870 12.570 10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.426 14.988 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.078 13.808 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.056 14.537 10.584 1.00 0.00 H new ATOM 138 N ILE A 12 -6.763 8.966 9.275 1.00 0.00 N ATOM 139 CA ILE A 12 -5.608 8.079 9.290 1.00 0.00 C ATOM 140 C ILE A 12 -4.807 8.239 10.579 1.00 0.00 C ATOM 141 O ILE A 12 -4.742 9.328 11.148 1.00 0.00 O ATOM 142 CB ILE A 12 -4.681 8.341 8.088 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.442 7.446 8.167 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.280 9.807 8.039 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.679 7.355 6.864 1.00 0.00 C ATOM 0 H ILE A 12 -6.568 9.918 9.586 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.992 7.061 9.228 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.221 8.101 7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.777 7.827 8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.746 6.445 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.625 9.977 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.172 10.425 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.755 10.071 8.957 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.814 6.705 6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.328 6.945 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.344 8.349 6.568 1.00 0.00 H new ATOM 157 N ASP A 13 -4.200 7.148 11.031 1.00 0.00 N ATOM 158 CA ASP A 13 -3.402 7.168 12.251 1.00 0.00 C ATOM 159 C ASP A 13 -1.976 7.627 11.960 1.00 0.00 C ATOM 160 O ASP A 13 -1.009 7.019 12.421 1.00 0.00 O ATOM 161 CB ASP A 13 -3.382 5.782 12.896 1.00 0.00 C ATOM 162 CG ASP A 13 -4.470 5.614 13.940 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.634 5.954 13.644 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.156 5.141 15.052 1.00 0.00 O ATOM 0 H ASP A 13 -4.245 6.239 10.571 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.859 7.876 12.943 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.503 5.023 12.123 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.409 5.613 13.358 1.00 0.00 H new ATOM 169 N LYS A 14 -1.851 8.703 11.190 1.00 0.00 N ATOM 170 CA LYS A 14 -0.544 9.245 10.837 1.00 0.00 C ATOM 171 C LYS A 14 0.515 8.809 11.844 1.00 0.00 C ATOM 172 O LYS A 14 1.573 8.307 11.466 1.00 0.00 O ATOM 173 CB LYS A 14 -0.603 10.772 10.771 1.00 0.00 C ATOM 174 CG LYS A 14 -0.942 11.310 9.391 1.00 0.00 C ATOM 175 CD LYS A 14 -1.179 12.810 9.420 1.00 0.00 C ATOM 176 CE LYS A 14 -1.108 13.412 8.025 1.00 0.00 C ATOM 177 NZ LYS A 14 0.298 13.593 7.569 1.00 0.00 N ATOM 0 H LYS A 14 -2.640 9.217 10.798 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.270 8.856 9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.346 11.129 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.359 11.178 11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.129 11.082 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.832 10.807 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.156 13.017 9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.436 13.285 10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.637 12.766 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.618 14.375 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.306 14.098 6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.824 14.145 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.748 12.663 7.452 1.00 0.00 H new ATOM 191 N GLU A 15 0.222 9.004 13.126 1.00 0.00 N ATOM 192 CA GLU A 15 1.151 8.631 14.186 1.00 0.00 C ATOM 193 C GLU A 15 1.580 7.173 14.044 1.00 0.00 C ATOM 194 O GLU A 15 2.768 6.873 13.927 1.00 0.00 O ATOM 195 CB GLU A 15 0.512 8.855 15.558 1.00 0.00 C ATOM 196 CG GLU A 15 -0.878 8.254 15.687 1.00 0.00 C ATOM 197 CD GLU A 15 -1.677 8.870 16.819 1.00 0.00 C ATOM 198 OE1 GLU A 15 -2.099 10.038 16.681 1.00 0.00 O ATOM 199 OE2 GLU A 15 -1.881 8.186 17.842 1.00 0.00 O ATOM 0 H GLU A 15 -0.650 9.418 13.455 1.00 0.00 H new ATOM 0 HA GLU A 15 2.035 9.263 14.098 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.157 8.425 16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.455 9.926 15.753 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.417 8.391 14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.792 7.180 15.851 1.00 0.00 H new ATOM 206 N ALA A 16 0.604 6.271 14.058 1.00 0.00 N ATOM 207 CA ALA A 16 0.879 4.845 13.930 1.00 0.00 C ATOM 208 C ALA A 16 1.391 4.508 12.534 1.00 0.00 C ATOM 209 O ALA A 16 2.238 3.630 12.368 1.00 0.00 O ATOM 210 CB ALA A 16 -0.370 4.036 14.247 1.00 0.00 C ATOM 0 H ALA A 16 -0.384 6.503 14.157 1.00 0.00 H new ATOM 0 HA ALA A 16 1.658 4.584 14.646 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.150 2.973 14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.690 4.246 15.267 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.166 4.308 13.554 1.00 0.00 H new ATOM 216 N CYS A 17 0.869 5.208 11.533 1.00 0.00 N ATOM 217 CA CYS A 17 1.272 4.981 10.149 1.00 0.00 C ATOM 218 C CYS A 17 2.761 5.254 9.965 1.00 0.00 C ATOM 219 O CYS A 17 3.526 4.357 9.611 1.00 0.00 O ATOM 220 CB CYS A 17 0.458 5.871 9.207 1.00 0.00 C ATOM 221 SG CYS A 17 -1.331 5.754 9.443 1.00 0.00 S ATOM 0 H CYS A 17 0.166 5.937 11.653 1.00 0.00 H new ATOM 0 HA CYS A 17 1.080 3.936 9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.765 6.907 9.348 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.696 5.605 8.177 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.862 5.133 8.432 1.00 0.00 H new ATOM 227 N ARG A 18 3.164 6.497 10.206 1.00 0.00 N ATOM 228 CA ARG A 18 4.562 6.887 10.064 1.00 0.00 C ATOM 229 C ARG A 18 5.489 5.789 10.577 1.00 0.00 C ATOM 230 O ARG A 18 6.461 5.425 9.917 1.00 0.00 O ATOM 231 CB ARG A 18 4.830 8.189 10.822 1.00 0.00 C ATOM 232 CG ARG A 18 6.285 8.625 10.789 1.00 0.00 C ATOM 233 CD ARG A 18 6.587 9.641 11.879 1.00 0.00 C ATOM 234 NE ARG A 18 6.446 9.068 13.215 1.00 0.00 N ATOM 235 CZ ARG A 18 7.069 9.544 14.288 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.870 10.595 14.183 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.889 8.969 15.470 1.00 0.00 N ATOM 0 H ARG A 18 2.543 7.251 10.500 1.00 0.00 H new ATOM 0 HA ARG A 18 4.763 7.042 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.213 8.980 10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.520 8.066 11.860 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.930 7.755 10.913 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.515 9.056 9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.602 10.019 11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.915 10.493 11.777 1.00 0.00 H new ATOM 0 HE ARG A 18 5.836 8.259 13.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.010 11.041 13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.346 10.958 15.009 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.272 8.161 15.556 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.367 9.335 16.293 1.00 0.00 H new ATOM 251 N ALA A 19 5.179 5.265 11.759 1.00 0.00 N ATOM 252 CA ALA A 19 5.983 4.206 12.359 1.00 0.00 C ATOM 253 C ALA A 19 6.101 3.008 11.423 1.00 0.00 C ATOM 254 O ALA A 19 7.196 2.500 11.186 1.00 0.00 O ATOM 255 CB ALA A 19 5.384 3.780 13.692 1.00 0.00 C ATOM 0 H ALA A 19 4.378 5.556 12.319 1.00 0.00 H new ATOM 0 HA ALA A 19 6.985 4.598 12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.994 2.989 14.129 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.358 4.634 14.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.370 3.411 13.534 1.00 0.00 H new ATOM 261 N ALA A 20 4.967 2.563 10.894 1.00 0.00 N ATOM 262 CA ALA A 20 4.945 1.426 9.982 1.00 0.00 C ATOM 263 C ALA A 20 5.668 1.751 8.680 1.00 0.00 C ATOM 264 O ALA A 20 6.451 0.946 8.176 1.00 0.00 O ATOM 265 CB ALA A 20 3.510 1.004 9.700 1.00 0.00 C ATOM 0 H ALA A 20 4.051 2.972 11.081 1.00 0.00 H new ATOM 0 HA ALA A 20 5.469 0.598 10.460 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.508 0.154 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.024 0.721 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.969 1.835 9.247 1.00 0.00 H new ATOM 271 N TYR A 21 5.402 2.935 8.141 1.00 0.00 N ATOM 272 CA TYR A 21 6.026 3.365 6.895 1.00 0.00 C ATOM 273 C TYR A 21 7.537 3.487 7.057 1.00 0.00 C ATOM 274 O TYR A 21 8.282 3.461 6.078 1.00 0.00 O ATOM 275 CB TYR A 21 5.441 4.704 6.442 1.00 0.00 C ATOM 276 CG TYR A 21 6.403 5.543 5.631 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.527 5.360 4.260 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.185 6.518 6.236 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.405 6.123 3.515 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.064 7.287 5.498 1.00 0.00 C ATOM 281 CZ TYR A 21 8.172 7.085 4.138 1.00 0.00 C ATOM 282 OH TYR A 21 9.047 7.848 3.399 1.00 0.00 O ATOM 0 H TYR A 21 4.759 3.614 8.547 1.00 0.00 H new ATOM 0 HA TYR A 21 5.819 2.611 6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.546 4.518 5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.129 5.270 7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.927 4.609 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.105 6.678 7.301 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.490 5.967 2.450 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.664 8.043 5.984 1.00 0.00 H new ATOM 0 HH TYR A 21 9.621 8.364 4.003 1.00 0.00 H new ATOM 292 N ASN A 22 7.984 3.621 8.302 1.00 0.00 N ATOM 293 CA ASN A 22 9.407 3.747 8.594 1.00 0.00 C ATOM 294 C ASN A 22 10.064 2.374 8.703 1.00 0.00 C ATOM 295 O ASN A 22 11.086 2.111 8.069 1.00 0.00 O ATOM 296 CB ASN A 22 9.615 4.528 9.893 1.00 0.00 C ATOM 297 CG ASN A 22 9.650 6.027 9.666 1.00 0.00 C ATOM 298 OD1 ASN A 22 10.340 6.516 8.771 1.00 0.00 O ATOM 299 ND2 ASN A 22 8.904 6.766 10.479 1.00 0.00 N ATOM 0 H ASN A 22 7.381 3.645 9.124 1.00 0.00 H new ATOM 0 HA ASN A 22 9.874 4.290 7.772 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.813 4.287 10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.548 4.212 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.888 7.781 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.347 6.319 11.207 1.00 0.00 H new ATOM 306 N LEU A 23 9.469 1.502 9.510 1.00 0.00 N ATOM 307 CA LEU A 23 9.996 0.155 9.701 1.00 0.00 C ATOM 308 C LEU A 23 10.324 -0.497 8.362 1.00 0.00 C ATOM 309 O LEU A 23 11.088 -1.460 8.298 1.00 0.00 O ATOM 310 CB LEU A 23 8.987 -0.705 10.467 1.00 0.00 C ATOM 311 CG LEU A 23 9.303 -0.906 11.949 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.732 -1.393 12.129 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.076 0.383 12.723 1.00 0.00 C ATOM 0 H LEU A 23 8.622 1.703 10.042 1.00 0.00 H new ATOM 0 HA LEU A 23 10.915 0.230 10.282 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.002 -0.247 10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.928 -1.682 9.988 1.00 0.00 H new ATOM 0 HG LEU A 23 8.629 -1.666 12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.939 -1.530 13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.861 -2.342 11.608 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.422 -0.656 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.306 0.220 13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.724 1.164 12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.035 0.689 12.622 1.00 0.00 H new ATOM 325 N VAL A 24 9.741 0.036 7.292 1.00 0.00 N ATOM 326 CA VAL A 24 9.971 -0.493 5.953 1.00 0.00 C ATOM 327 C VAL A 24 10.877 0.431 5.148 1.00 0.00 C ATOM 328 O VAL A 24 11.669 -0.025 4.322 1.00 0.00 O ATOM 329 CB VAL A 24 8.647 -0.688 5.192 1.00 0.00 C ATOM 330 CG1 VAL A 24 7.838 0.600 5.189 1.00 0.00 C ATOM 331 CG2 VAL A 24 8.915 -1.163 3.772 1.00 0.00 C ATOM 0 H VAL A 24 9.106 0.834 7.327 1.00 0.00 H new ATOM 0 HA VAL A 24 10.457 -1.461 6.073 1.00 0.00 H new ATOM 0 HB VAL A 24 8.063 -1.454 5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.906 0.443 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.616 0.893 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.412 1.389 4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.968 -1.296 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.519 -0.422 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.450 -2.112 3.801 1.00 0.00 H new ATOM 341 N ARG A 25 10.755 1.731 5.391 1.00 0.00 N ATOM 342 CA ARG A 25 11.563 2.719 4.687 1.00 0.00 C ATOM 343 C ARG A 25 13.011 2.681 5.167 1.00 0.00 C ATOM 344 O ARG A 25 13.933 3.006 4.419 1.00 0.00 O ATOM 345 CB ARG A 25 10.984 4.121 4.890 1.00 0.00 C ATOM 346 CG ARG A 25 12.043 5.194 5.088 1.00 0.00 C ATOM 347 CD ARG A 25 11.427 6.585 5.117 1.00 0.00 C ATOM 348 NE ARG A 25 12.346 7.600 4.609 1.00 0.00 N ATOM 349 CZ ARG A 25 12.396 8.843 5.073 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.585 9.223 6.052 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.259 9.710 4.559 1.00 0.00 N ATOM 0 H ARG A 25 10.104 2.125 6.070 1.00 0.00 H new ATOM 0 HA ARG A 25 11.544 2.475 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.372 4.381 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.323 4.110 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.577 5.012 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.776 5.136 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.515 6.590 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.141 6.834 6.139 1.00 0.00 H new ATOM 0 HE ARG A 25 12.984 7.340 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.921 8.559 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.626 10.179 6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.885 9.422 3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.297 10.665 4.916 1.00 0.00 H new ATOM 365 N ASP A 26 13.203 2.282 6.420 1.00 0.00 N ATOM 366 CA ASP A 26 14.538 2.200 7.000 1.00 0.00 C ATOM 367 C ASP A 26 15.476 1.410 6.095 1.00 0.00 C ATOM 368 O ASP A 26 15.074 0.425 5.475 1.00 0.00 O ATOM 369 CB ASP A 26 14.477 1.550 8.384 1.00 0.00 C ATOM 370 CG ASP A 26 15.836 1.083 8.865 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.225 -0.055 8.529 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.512 1.856 9.576 1.00 0.00 O ATOM 0 H ASP A 26 12.451 2.010 7.053 1.00 0.00 H new ATOM 0 HA ASP A 26 14.927 3.213 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.067 2.263 9.099 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.794 0.701 8.354 1.00 0.00 H new ATOM 417 N VAL A 31 11.957 -5.140 9.276 1.00 0.00 N ATOM 418 CA VAL A 31 10.747 -5.162 8.465 1.00 0.00 C ATOM 419 C VAL A 31 11.020 -4.643 7.057 1.00 0.00 C ATOM 420 O VAL A 31 11.762 -3.677 6.874 1.00 0.00 O ATOM 421 CB VAL A 31 9.627 -4.318 9.103 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.365 -4.378 8.256 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.350 -4.788 10.522 1.00 0.00 C ATOM 0 HA VAL A 31 10.422 -6.201 8.410 1.00 0.00 H new ATOM 0 HB VAL A 31 9.957 -3.280 9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.585 -3.776 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.577 -3.989 7.260 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.028 -5.412 8.178 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.556 -4.181 10.958 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.040 -5.833 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.255 -4.687 11.122 1.00 0.00 H new ATOM 433 N ILE A 32 10.416 -5.290 6.066 1.00 0.00 N ATOM 434 CA ILE A 32 10.593 -4.892 4.676 1.00 0.00 C ATOM 435 C ILE A 32 9.263 -4.493 4.044 1.00 0.00 C ATOM 436 O ILE A 32 9.230 -3.771 3.048 1.00 0.00 O ATOM 437 CB ILE A 32 11.225 -6.023 3.843 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.164 -7.056 3.457 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.358 -6.681 4.616 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.627 -8.030 2.397 1.00 0.00 C ATOM 0 H ILE A 32 9.800 -6.092 6.200 1.00 0.00 H new ATOM 0 HA ILE A 32 11.264 -4.033 4.677 1.00 0.00 H new ATOM 0 HB ILE A 32 11.637 -5.595 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.870 -7.613 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.276 -6.536 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.794 -7.478 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.123 -5.938 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.970 -7.099 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.824 -8.733 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.894 -7.484 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.497 -8.577 2.760 1.00 0.00 H new ATOM 452 N TRP A 33 8.171 -4.967 4.631 1.00 0.00 N ATOM 453 CA TRP A 33 6.838 -4.659 4.127 1.00 0.00 C ATOM 454 C TRP A 33 5.894 -4.298 5.268 1.00 0.00 C ATOM 455 O TRP A 33 6.167 -4.597 6.431 1.00 0.00 O ATOM 456 CB TRP A 33 6.279 -5.847 3.342 1.00 0.00 C ATOM 457 CG TRP A 33 6.045 -7.060 4.189 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.850 -8.160 4.285 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.932 -7.299 5.058 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.303 -9.067 5.161 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.128 -8.562 5.649 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.790 -6.567 5.395 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.223 -9.107 6.557 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.894 -7.109 6.296 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.115 -8.368 6.869 1.00 0.00 C ATOM 0 H TRP A 33 8.182 -5.566 5.456 1.00 0.00 H new ATOM 0 HA TRP A 33 6.919 -3.799 3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.340 -5.554 2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.971 -6.101 2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.779 -8.297 3.751 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.707 -9.970 5.408 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.611 -5.595 4.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.390 -10.078 6.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.008 -6.552 6.563 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.396 -8.763 7.571 1.00 0.00 H new ATOM 476 N VAL A 34 4.781 -3.654 4.930 1.00 0.00 N ATOM 477 CA VAL A 34 3.796 -3.255 5.927 1.00 0.00 C ATOM 478 C VAL A 34 2.431 -3.020 5.290 1.00 0.00 C ATOM 479 O VAL A 34 2.336 -2.642 4.121 1.00 0.00 O ATOM 480 CB VAL A 34 4.231 -1.975 6.666 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.194 -0.778 5.726 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.350 -1.735 7.882 1.00 0.00 C ATOM 0 H VAL A 34 4.540 -3.398 3.973 1.00 0.00 H new ATOM 0 HA VAL A 34 3.724 -4.073 6.643 1.00 0.00 H new ATOM 0 HB VAL A 34 5.257 -2.106 7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.504 0.117 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.871 -0.951 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.180 -0.642 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.672 -0.827 8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.313 -1.624 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.432 -2.582 8.564 1.00 0.00 H new ATOM 492 N THR A 35 1.375 -3.247 6.064 1.00 0.00 N ATOM 493 CA THR A 35 0.014 -3.061 5.575 1.00 0.00 C ATOM 494 C THR A 35 -0.758 -2.085 6.455 1.00 0.00 C ATOM 495 O THR A 35 -0.525 -2.003 7.662 1.00 0.00 O ATOM 496 CB THR A 35 -0.749 -4.398 5.518 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.456 -5.180 6.681 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.377 -5.181 4.267 1.00 0.00 C ATOM 0 H THR A 35 1.436 -3.560 7.033 1.00 0.00 H new ATOM 0 HA THR A 35 0.093 -2.652 4.568 1.00 0.00 H new ATOM 0 HB THR A 35 -1.817 -4.180 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.167 -5.898 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.928 -6.121 4.249 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.629 -4.595 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.693 -5.388 4.272 1.00 0.00 H new ATOM 506 N PHE A 36 -1.679 -1.347 5.846 1.00 0.00 N ATOM 507 CA PHE A 36 -2.487 -0.376 6.575 1.00 0.00 C ATOM 508 C PHE A 36 -3.972 -0.589 6.300 1.00 0.00 C ATOM 509 O PHE A 36 -4.492 -0.159 5.270 1.00 0.00 O ATOM 510 CB PHE A 36 -2.084 1.048 6.186 1.00 0.00 C ATOM 511 CG PHE A 36 -0.609 1.306 6.298 1.00 0.00 C ATOM 512 CD1 PHE A 36 -0.053 1.719 7.499 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.224 1.135 5.203 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.304 1.956 7.606 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.582 1.370 5.305 1.00 0.00 C ATOM 516 CZ PHE A 36 2.123 1.782 6.507 1.00 0.00 C ATOM 0 H PHE A 36 -1.885 -1.402 4.849 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.309 -0.519 7.641 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.401 1.239 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.617 1.754 6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.688 1.857 8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.193 0.815 4.260 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.724 2.277 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.220 1.231 4.445 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.184 1.968 6.588 1.00 0.00 H new ATOM 526 N ARG A 37 -4.650 -1.255 7.230 1.00 0.00 N ATOM 527 CA ARG A 37 -6.075 -1.527 7.088 1.00 0.00 C ATOM 528 C ARG A 37 -6.902 -0.528 7.892 1.00 0.00 C ATOM 529 O ARG A 37 -6.355 0.326 8.590 1.00 0.00 O ATOM 530 CB ARG A 37 -6.392 -2.952 7.546 1.00 0.00 C ATOM 531 CG ARG A 37 -6.025 -3.222 8.996 1.00 0.00 C ATOM 532 CD ARG A 37 -5.939 -4.713 9.281 1.00 0.00 C ATOM 533 NE ARG A 37 -7.221 -5.263 9.715 1.00 0.00 N ATOM 534 CZ ARG A 37 -7.554 -6.541 9.583 1.00 0.00 C ATOM 535 NH1 ARG A 37 -6.705 -7.398 9.033 1.00 0.00 N ATOM 536 NH2 ARG A 37 -8.740 -6.965 10.002 1.00 0.00 N ATOM 0 H ARG A 37 -4.235 -1.616 8.089 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.336 -1.424 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.457 -3.140 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.859 -3.657 6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.069 -2.751 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.768 -2.768 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.606 -5.235 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.189 -4.892 10.051 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.897 -4.630 10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.793 -7.076 8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.964 -8.379 8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.396 -6.309 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.996 -7.947 9.900 1.00 0.00 H new ATOM 550 N TYR A 38 -8.222 -0.640 7.788 1.00 0.00 N ATOM 551 CA TYR A 38 -9.123 0.255 8.502 1.00 0.00 C ATOM 552 C TYR A 38 -9.642 -0.399 9.779 1.00 0.00 C ATOM 553 O TYR A 38 -9.923 -1.598 9.806 1.00 0.00 O ATOM 554 CB TYR A 38 -10.298 0.651 7.605 1.00 0.00 C ATOM 555 CG TYR A 38 -9.876 1.294 6.304 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.674 2.666 6.215 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.678 0.529 5.161 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.289 3.257 5.028 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.291 1.111 3.969 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.098 2.474 3.908 1.00 0.00 C ATOM 561 OH TYR A 38 -8.713 3.060 2.723 1.00 0.00 O ATOM 0 H TYR A 38 -8.691 -1.342 7.216 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.564 1.150 8.775 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.892 -0.236 7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.943 1.341 8.149 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.821 3.281 7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.829 -0.539 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.138 4.325 4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.141 0.501 3.090 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.737 3.020 2.640 1.00 0.00 H new ATOM 571 N ASP A 39 -9.768 0.397 10.835 1.00 0.00 N ATOM 572 CA ASP A 39 -10.254 -0.103 12.115 1.00 0.00 C ATOM 573 C ASP A 39 -11.533 0.619 12.531 1.00 0.00 C ATOM 574 O ASP A 39 -11.952 0.546 13.684 1.00 0.00 O ATOM 575 CB ASP A 39 -9.184 0.069 13.194 1.00 0.00 C ATOM 576 CG ASP A 39 -9.263 -1.002 14.264 1.00 0.00 C ATOM 577 OD1 ASP A 39 -10.384 -1.469 14.553 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.204 -1.372 14.813 1.00 0.00 O ATOM 0 H ASP A 39 -9.540 1.391 10.830 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.477 -1.164 12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.198 0.043 12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.293 1.050 13.657 1.00 0.00 H new ATOM 583 N GLY A 40 -12.147 1.319 11.580 1.00 0.00 N ATOM 584 CA GLY A 40 -13.369 2.044 11.867 1.00 0.00 C ATOM 585 C GLY A 40 -13.272 3.512 11.499 1.00 0.00 C ATOM 586 O GLY A 40 -13.187 4.374 12.373 1.00 0.00 O ATOM 0 H GLY A 40 -11.819 1.396 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.195 1.589 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.601 1.953 12.928 1.00 0.00 H new ATOM 590 N ALA A 41 -13.282 3.797 10.201 1.00 0.00 N ATOM 591 CA ALA A 41 -13.195 5.170 9.719 1.00 0.00 C ATOM 592 C ALA A 41 -11.855 5.797 10.089 1.00 0.00 C ATOM 593 O ALA A 41 -11.747 7.015 10.238 1.00 0.00 O ATOM 594 CB ALA A 41 -14.341 6.000 10.279 1.00 0.00 C ATOM 0 H ALA A 41 -13.350 3.095 9.464 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.271 5.153 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.263 7.023 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.291 5.571 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.291 6.002 11.368 1.00 0.00 H new ATOM 600 N THR A 42 -10.835 4.958 10.239 1.00 0.00 N ATOM 601 CA THR A 42 -9.502 5.430 10.594 1.00 0.00 C ATOM 602 C THR A 42 -8.433 4.426 10.177 1.00 0.00 C ATOM 603 O THR A 42 -8.330 3.342 10.749 1.00 0.00 O ATOM 604 CB THR A 42 -9.383 5.690 12.108 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.617 6.212 12.614 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.254 6.666 12.402 1.00 0.00 C ATOM 0 H THR A 42 -10.907 3.947 10.120 1.00 0.00 H new ATOM 0 HA THR A 42 -9.346 6.366 10.058 1.00 0.00 H new ATOM 0 HB THR A 42 -9.161 4.744 12.601 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.534 6.373 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.189 6.834 13.477 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.312 6.252 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.451 7.612 11.898 1.00 0.00 H new ATOM 614 N ILE A 43 -7.642 4.795 9.176 1.00 0.00 N ATOM 615 CA ILE A 43 -6.580 3.926 8.683 1.00 0.00 C ATOM 616 C ILE A 43 -5.540 3.660 9.766 1.00 0.00 C ATOM 617 O ILE A 43 -5.093 4.580 10.452 1.00 0.00 O ATOM 618 CB ILE A 43 -5.879 4.534 7.454 1.00 0.00 C ATOM 619 CG1 ILE A 43 -6.907 4.887 6.376 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.839 3.569 6.904 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.468 6.013 5.467 1.00 0.00 C ATOM 0 H ILE A 43 -7.716 5.689 8.690 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.051 2.986 8.395 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.371 5.449 7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.107 4.001 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.845 5.164 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.353 4.014 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.093 3.362 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.325 2.639 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.245 6.208 4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.295 6.912 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.546 5.731 4.958 1.00 0.00 H new ATOM 633 N VAL A 44 -5.156 2.396 9.915 1.00 0.00 N ATOM 634 CA VAL A 44 -4.167 2.009 10.912 1.00 0.00 C ATOM 635 C VAL A 44 -3.335 0.826 10.431 1.00 0.00 C ATOM 636 O VAL A 44 -3.835 -0.094 9.784 1.00 0.00 O ATOM 637 CB VAL A 44 -4.834 1.642 12.252 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.740 2.769 12.722 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.610 0.340 12.120 1.00 0.00 C ATOM 0 H VAL A 44 -5.516 1.622 9.356 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.516 2.870 11.062 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.055 1.499 13.001 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.203 2.493 13.669 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.152 3.677 12.856 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.516 2.947 11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.075 0.095 13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.382 0.452 11.359 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.930 -0.461 11.832 1.00 0.00 H new ATOM 649 N PRO A 45 -2.033 0.848 10.753 1.00 0.00 N ATOM 650 CA PRO A 45 -1.102 -0.216 10.365 1.00 0.00 C ATOM 651 C PRO A 45 -1.606 -1.599 10.761 1.00 0.00 C ATOM 652 O PRO A 45 -1.582 -1.967 11.935 1.00 0.00 O ATOM 653 CB PRO A 45 0.175 0.129 11.135 1.00 0.00 C ATOM 654 CG PRO A 45 0.094 1.598 11.363 1.00 0.00 C ATOM 655 CD PRO A 45 -1.368 1.914 11.523 1.00 0.00 C ATOM 0 HA PRO A 45 -0.964 -0.262 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.228 -0.416 12.078 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.065 -0.135 10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.655 1.886 12.252 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.522 2.147 10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.670 1.901 12.570 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.611 2.903 11.133 1.00 0.00 H new ATOM 663 N GLY A 46 -2.061 -2.364 9.773 1.00 0.00 N ATOM 664 CA GLY A 46 -2.563 -3.699 10.039 1.00 0.00 C ATOM 665 C GLY A 46 -1.455 -4.684 10.352 1.00 0.00 C ATOM 666 O GLY A 46 -0.954 -4.729 11.476 1.00 0.00 O ATOM 0 H GLY A 46 -2.091 -2.083 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.259 -3.662 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.125 -4.052 9.174 1.00 0.00 H new ATOM 670 N ASP A 47 -1.072 -5.477 9.357 1.00 0.00 N ATOM 671 CA ASP A 47 -0.016 -6.467 9.531 1.00 0.00 C ATOM 672 C ASP A 47 1.346 -5.876 9.179 1.00 0.00 C ATOM 673 O ASP A 47 1.436 -4.755 8.681 1.00 0.00 O ATOM 674 CB ASP A 47 -0.292 -7.696 8.664 1.00 0.00 C ATOM 675 CG ASP A 47 -1.258 -8.663 9.322 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.478 -8.399 9.285 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.793 -9.682 9.875 1.00 0.00 O ATOM 0 H ASP A 47 -1.477 -5.453 8.421 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.002 -6.767 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.699 -7.376 7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.647 -8.209 8.457 1.00 0.00 H new ATOM 682 N GLN A 48 2.402 -6.640 9.442 1.00 0.00 N ATOM 683 CA GLN A 48 3.759 -6.191 9.154 1.00 0.00 C ATOM 684 C GLN A 48 4.760 -7.327 9.341 1.00 0.00 C ATOM 685 O GLN A 48 4.508 -8.273 10.086 1.00 0.00 O ATOM 686 CB GLN A 48 4.131 -5.013 10.057 1.00 0.00 C ATOM 687 CG GLN A 48 5.402 -4.297 9.629 1.00 0.00 C ATOM 688 CD GLN A 48 5.759 -3.145 10.547 1.00 0.00 C ATOM 689 OE1 GLN A 48 5.819 -1.991 10.119 1.00 0.00 O ATOM 690 NE2 GLN A 48 6.001 -3.451 11.816 1.00 0.00 N ATOM 0 H GLN A 48 2.344 -7.572 9.853 1.00 0.00 H new ATOM 0 HA GLN A 48 3.795 -5.868 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.307 -4.299 10.067 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.253 -5.373 11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.227 -5.009 9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.279 -3.922 8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.940 -4.420 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.248 -2.717 12.479 1.00 0.00 H new ATOM 699 N GLY A 49 5.896 -7.226 8.660 1.00 0.00 N ATOM 700 CA GLY A 49 6.918 -8.251 8.764 1.00 0.00 C ATOM 701 C GLY A 49 7.977 -8.127 7.687 1.00 0.00 C ATOM 702 O GLY A 49 7.864 -7.293 6.789 1.00 0.00 O ATOM 0 H GLY A 49 6.128 -6.452 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.392 -8.189 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.451 -9.233 8.698 1.00 0.00 H new ATOM 706 N ALA A 50 9.010 -8.959 7.776 1.00 0.00 N ATOM 707 CA ALA A 50 10.094 -8.938 6.801 1.00 0.00 C ATOM 708 C ALA A 50 9.890 -10.007 5.733 1.00 0.00 C ATOM 709 O ALA A 50 10.612 -10.048 4.736 1.00 0.00 O ATOM 710 CB ALA A 50 11.432 -9.132 7.496 1.00 0.00 C ATOM 0 H ALA A 50 9.119 -9.656 8.513 1.00 0.00 H new ATOM 0 HA ALA A 50 10.091 -7.965 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.232 -9.114 6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.587 -8.330 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.438 -10.091 8.013 1.00 0.00 H new ATOM 716 N ASP A 51 8.905 -10.872 5.947 1.00 0.00 N ATOM 717 CA ASP A 51 8.606 -11.942 5.002 1.00 0.00 C ATOM 718 C ASP A 51 7.503 -11.521 4.035 1.00 0.00 C ATOM 719 O ASP A 51 6.332 -11.449 4.408 1.00 0.00 O ATOM 720 CB ASP A 51 8.191 -13.210 5.749 1.00 0.00 C ATOM 721 CG ASP A 51 9.375 -14.086 6.106 1.00 0.00 C ATOM 722 OD1 ASP A 51 10.303 -13.585 6.775 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.375 -15.272 5.715 1.00 0.00 O ATOM 0 H ASP A 51 8.299 -10.853 6.767 1.00 0.00 H new ATOM 0 HA ASP A 51 9.509 -12.148 4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.660 -12.934 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.494 -13.779 5.133 1.00 0.00 H new ATOM 728 N TYR A 52 7.887 -11.242 2.795 1.00 0.00 N ATOM 729 CA TYR A 52 6.930 -10.825 1.775 1.00 0.00 C ATOM 730 C TYR A 52 5.797 -11.837 1.644 1.00 0.00 C ATOM 731 O TYR A 52 4.676 -11.486 1.279 1.00 0.00 O ATOM 732 CB TYR A 52 7.633 -10.652 0.428 1.00 0.00 C ATOM 733 CG TYR A 52 6.920 -9.704 -0.510 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.715 -10.057 -1.103 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.453 -8.454 -0.801 1.00 0.00 C ATOM 736 CE1 TYR A 52 5.060 -9.194 -1.961 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.804 -7.584 -1.657 1.00 0.00 C ATOM 738 CZ TYR A 52 5.609 -7.959 -2.234 1.00 0.00 C ATOM 739 OH TYR A 52 4.959 -7.095 -3.087 1.00 0.00 O ATOM 0 H TYR A 52 8.853 -11.297 2.471 1.00 0.00 H new ATOM 0 HA TYR A 52 6.504 -9.869 2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.645 -10.286 0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.723 -11.626 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.282 -11.023 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.389 -8.158 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.124 -9.485 -2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.231 -6.616 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 52 4.329 -7.598 -3.645 1.00 0.00 H new ATOM 749 N GLN A 53 6.099 -13.096 1.946 1.00 0.00 N ATOM 750 CA GLN A 53 5.106 -14.160 1.863 1.00 0.00 C ATOM 751 C GLN A 53 4.061 -14.018 2.964 1.00 0.00 C ATOM 752 O GLN A 53 2.951 -14.542 2.853 1.00 0.00 O ATOM 753 CB GLN A 53 5.784 -15.528 1.961 1.00 0.00 C ATOM 754 CG GLN A 53 6.646 -15.867 0.756 1.00 0.00 C ATOM 755 CD GLN A 53 5.854 -15.910 -0.536 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.453 -16.979 -0.997 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.623 -14.744 -1.126 1.00 0.00 N ATOM 0 H GLN A 53 7.023 -13.404 2.250 1.00 0.00 H new ATOM 0 HA GLN A 53 4.604 -14.079 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.402 -15.555 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.019 -16.296 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.442 -15.128 0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.124 -16.833 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.975 -13.882 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.094 -14.709 -1.997 1.00 0.00 H new ATOM 766 N HIS A 54 4.421 -13.305 4.027 1.00 0.00 N ATOM 767 CA HIS A 54 3.514 -13.093 5.149 1.00 0.00 C ATOM 768 C HIS A 54 2.512 -11.986 4.835 1.00 0.00 C ATOM 769 O HIS A 54 1.404 -11.967 5.372 1.00 0.00 O ATOM 770 CB HIS A 54 4.303 -12.743 6.411 1.00 0.00 C ATOM 771 CG HIS A 54 4.693 -13.938 7.225 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.148 -13.846 8.523 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.692 -15.255 6.919 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.413 -15.058 8.979 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.144 -15.931 8.025 1.00 0.00 N ATOM 0 H HIS A 54 5.335 -12.864 4.135 1.00 0.00 H new ATOM 0 HA HIS A 54 2.964 -14.018 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.203 -12.198 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.706 -12.072 7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.391 -15.694 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.786 -15.294 9.965 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.254 -16.942 8.098 1.00 0.00 H new ATOM 784 N PHE A 55 2.910 -11.063 3.965 1.00 0.00 N ATOM 785 CA PHE A 55 2.049 -9.951 3.582 1.00 0.00 C ATOM 786 C PHE A 55 0.978 -10.408 2.595 1.00 0.00 C ATOM 787 O PHE A 55 -0.187 -10.024 2.704 1.00 0.00 O ATOM 788 CB PHE A 55 2.879 -8.824 2.966 1.00 0.00 C ATOM 789 CG PHE A 55 2.199 -8.139 1.815 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.046 -7.396 2.017 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.712 -8.236 0.533 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.418 -6.765 0.960 1.00 0.00 C ATOM 793 CE2 PHE A 55 2.089 -7.607 -0.529 1.00 0.00 C ATOM 794 CZ PHE A 55 0.941 -6.869 -0.315 1.00 0.00 C ATOM 0 H PHE A 55 3.824 -11.064 3.512 1.00 0.00 H new ATOM 0 HA PHE A 55 1.556 -9.580 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.104 -8.086 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.832 -9.230 2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.634 -7.309 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.610 -8.810 0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.481 -6.191 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.499 -7.693 -1.524 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.453 -6.374 -1.142 1.00 0.00 H new ATOM 804 N ILE A 56 1.382 -11.229 1.631 1.00 0.00 N ATOM 805 CA ILE A 56 0.458 -11.739 0.625 1.00 0.00 C ATOM 806 C ILE A 56 -0.559 -12.692 1.245 1.00 0.00 C ATOM 807 O ILE A 56 -1.594 -12.982 0.647 1.00 0.00 O ATOM 808 CB ILE A 56 1.205 -12.467 -0.507 1.00 0.00 C ATOM 809 CG1 ILE A 56 2.168 -11.509 -1.211 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.215 -13.057 -1.500 1.00 0.00 C ATOM 811 CD1 ILE A 56 3.098 -12.196 -2.186 1.00 0.00 C ATOM 0 H ILE A 56 2.343 -11.555 1.525 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.063 -10.877 0.209 1.00 0.00 H new ATOM 0 HB ILE A 56 1.785 -13.282 -0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.591 -10.753 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.762 -10.987 -0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.758 -13.569 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.434 -13.768 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.389 -12.258 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.752 -11.456 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.701 -12.933 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.512 -12.695 -2.958 1.00 0.00 H new ATOM 823 N GLN A 57 -0.255 -13.173 2.445 1.00 0.00 N ATOM 824 CA GLN A 57 -1.144 -14.092 3.146 1.00 0.00 C ATOM 825 C GLN A 57 -2.206 -13.331 3.932 1.00 0.00 C ATOM 826 O GLN A 57 -3.013 -13.929 4.642 1.00 0.00 O ATOM 827 CB GLN A 57 -0.342 -14.990 4.089 1.00 0.00 C ATOM 828 CG GLN A 57 0.292 -16.186 3.397 1.00 0.00 C ATOM 829 CD GLN A 57 -0.629 -16.826 2.376 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.517 -17.603 2.724 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.420 -16.501 1.105 1.00 0.00 N ATOM 0 H GLN A 57 0.599 -12.942 2.952 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.644 -14.712 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.441 -14.398 4.563 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.998 -15.346 4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.211 -15.870 2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.570 -16.928 4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.328 -15.852 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.008 -16.900 0.373 1.00 0.00 H new ATOM 840 N GLN A 58 -2.199 -12.008 3.798 1.00 0.00 N ATOM 841 CA GLN A 58 -3.162 -11.166 4.497 1.00 0.00 C ATOM 842 C GLN A 58 -4.190 -10.593 3.526 1.00 0.00 C ATOM 843 O GLN A 58 -5.353 -10.399 3.882 1.00 0.00 O ATOM 844 CB GLN A 58 -2.443 -10.028 5.225 1.00 0.00 C ATOM 845 CG GLN A 58 -1.100 -10.434 5.811 1.00 0.00 C ATOM 846 CD GLN A 58 -1.230 -11.083 7.174 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.201 -10.854 7.894 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.248 -11.901 7.537 1.00 0.00 N ATOM 0 H GLN A 58 -1.538 -11.497 3.213 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.683 -11.784 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.292 -9.201 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.083 -9.659 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.605 -11.126 5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.462 -9.554 5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.539 -12.063 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.281 -12.367 8.444 1.00 0.00 H new ATOM 857 N CYS A 59 -3.753 -10.325 2.301 1.00 0.00 N ATOM 858 CA CYS A 59 -4.636 -9.774 1.278 1.00 0.00 C ATOM 859 C CYS A 59 -5.549 -10.855 0.707 1.00 0.00 C ATOM 860 O CYS A 59 -5.082 -11.816 0.093 1.00 0.00 O ATOM 861 CB CYS A 59 -3.816 -9.137 0.156 1.00 0.00 C ATOM 862 SG CYS A 59 -2.637 -7.888 0.722 1.00 0.00 S ATOM 0 H CYS A 59 -2.794 -10.480 1.991 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.257 -9.009 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.273 -9.920 -0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.496 -8.680 -0.562 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.441 -8.209 0.325 1.00 0.00 H new ATOM 868 N THR A 60 -6.852 -10.692 0.914 1.00 0.00 N ATOM 869 CA THR A 60 -7.829 -11.655 0.423 1.00 0.00 C ATOM 870 C THR A 60 -9.002 -10.952 -0.251 1.00 0.00 C ATOM 871 O THR A 60 -9.094 -9.724 -0.238 1.00 0.00 O ATOM 872 CB THR A 60 -8.363 -12.544 1.561 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.195 -11.773 2.436 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.218 -13.157 2.353 1.00 0.00 C ATOM 0 H THR A 60 -7.255 -9.902 1.418 1.00 0.00 H new ATOM 0 HA THR A 60 -7.316 -12.282 -0.307 1.00 0.00 H new ATOM 0 HB THR A 60 -8.949 -13.349 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.585 -12.359 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.621 -13.781 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.603 -13.767 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.609 -12.363 2.785 1.00 0.00 H new ATOM 882 N ASP A 61 -9.898 -11.738 -0.838 1.00 0.00 N ATOM 883 CA ASP A 61 -11.067 -11.190 -1.516 1.00 0.00 C ATOM 884 C ASP A 61 -12.108 -10.715 -0.506 1.00 0.00 C ATOM 885 O ASP A 61 -13.195 -10.274 -0.881 1.00 0.00 O ATOM 886 CB ASP A 61 -11.682 -12.237 -2.445 1.00 0.00 C ATOM 887 CG ASP A 61 -11.820 -13.593 -1.780 1.00 0.00 C ATOM 888 OD1 ASP A 61 -12.132 -13.630 -0.572 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.615 -14.615 -2.467 1.00 0.00 O ATOM 0 H ASP A 61 -9.837 -12.756 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.744 -10.334 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.664 -11.895 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.064 -12.335 -3.337 1.00 0.00 H new ATOM 894 N ASP A 62 -11.768 -10.810 0.775 1.00 0.00 N ATOM 895 CA ASP A 62 -12.672 -10.390 1.838 1.00 0.00 C ATOM 896 C ASP A 62 -12.043 -9.287 2.683 1.00 0.00 C ATOM 897 O ASP A 62 -12.454 -9.049 3.819 1.00 0.00 O ATOM 898 CB ASP A 62 -13.040 -11.580 2.724 1.00 0.00 C ATOM 899 CG ASP A 62 -11.852 -12.112 3.503 1.00 0.00 C ATOM 900 OD1 ASP A 62 -11.581 -11.584 4.602 1.00 0.00 O ATOM 901 OD2 ASP A 62 -11.195 -13.053 3.013 1.00 0.00 O ATOM 0 H ASP A 62 -10.873 -11.174 1.102 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.578 -9.997 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.823 -11.282 3.421 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.451 -12.377 2.104 1.00 0.00 H new ATOM 906 N VAL A 63 -11.041 -8.617 2.122 1.00 0.00 N ATOM 907 CA VAL A 63 -10.354 -7.540 2.824 1.00 0.00 C ATOM 908 C VAL A 63 -9.635 -6.617 1.845 1.00 0.00 C ATOM 909 O VAL A 63 -9.219 -7.042 0.766 1.00 0.00 O ATOM 910 CB VAL A 63 -9.332 -8.091 3.836 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.264 -8.909 3.126 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.705 -6.955 4.632 1.00 0.00 C ATOM 0 H VAL A 63 -10.687 -8.801 1.183 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.117 -6.975 3.360 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.854 -8.747 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.551 -9.290 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.732 -9.745 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.743 -8.279 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.985 -7.362 5.342 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.197 -6.272 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.483 -6.417 5.173 1.00 0.00 H new ATOM 922 N ARG A 64 -9.491 -5.353 2.229 1.00 0.00 N ATOM 923 CA ARG A 64 -8.823 -4.369 1.385 1.00 0.00 C ATOM 924 C ARG A 64 -8.038 -3.371 2.230 1.00 0.00 C ATOM 925 O ARG A 64 -8.563 -2.808 3.191 1.00 0.00 O ATOM 926 CB ARG A 64 -9.845 -3.629 0.520 1.00 0.00 C ATOM 927 CG ARG A 64 -10.899 -2.886 1.325 1.00 0.00 C ATOM 928 CD ARG A 64 -12.041 -3.805 1.729 1.00 0.00 C ATOM 929 NE ARG A 64 -12.671 -3.379 2.977 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.337 -4.199 3.781 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.460 -5.483 3.470 1.00 0.00 N ATOM 932 NH2 ARG A 64 -13.883 -3.737 4.899 1.00 0.00 N ATOM 0 H ARG A 64 -9.828 -4.986 3.119 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.125 -4.898 0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.321 -2.919 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.339 -4.345 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.442 -2.458 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.289 -2.056 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.787 -3.826 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.666 -4.822 1.841 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.595 -2.398 3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.042 -5.842 2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.972 -6.111 4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.791 -2.751 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.394 -4.368 5.516 1.00 0.00 H new ATOM 946 N LEU A 65 -6.778 -3.157 1.866 1.00 0.00 N ATOM 947 CA LEU A 65 -5.920 -2.227 2.592 1.00 0.00 C ATOM 948 C LEU A 65 -4.658 -1.916 1.794 1.00 0.00 C ATOM 949 O LEU A 65 -4.390 -2.540 0.767 1.00 0.00 O ATOM 950 CB LEU A 65 -5.544 -2.806 3.958 1.00 0.00 C ATOM 951 CG LEU A 65 -4.954 -4.216 3.922 1.00 0.00 C ATOM 952 CD1 LEU A 65 -5.997 -5.222 3.460 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.733 -4.258 3.016 1.00 0.00 C ATOM 0 H LEU A 65 -6.328 -3.615 1.073 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.474 -1.300 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.824 -2.139 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.433 -2.816 4.589 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.644 -4.485 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.557 -6.219 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.843 -5.211 4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.339 -4.958 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.325 -5.269 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.020 -3.968 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.978 -3.567 3.391 1.00 0.00 H new ATOM 965 N PHE A 66 -3.888 -0.945 2.272 1.00 0.00 N ATOM 966 CA PHE A 66 -2.654 -0.548 1.604 1.00 0.00 C ATOM 967 C PHE A 66 -1.482 -1.409 2.068 1.00 0.00 C ATOM 968 O PHE A 66 -1.501 -1.962 3.168 1.00 0.00 O ATOM 969 CB PHE A 66 -2.354 0.928 1.873 1.00 0.00 C ATOM 970 CG PHE A 66 -3.558 1.817 1.740 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.461 1.943 2.782 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.785 2.528 0.572 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.569 2.760 2.662 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.891 3.347 0.446 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.784 3.464 1.493 1.00 0.00 C ATOM 0 H PHE A 66 -4.097 -0.418 3.120 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.788 -0.695 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.946 1.030 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.584 1.266 1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.298 1.396 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.089 2.441 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.267 2.848 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.057 3.895 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.648 4.104 1.398 1.00 0.00 H new ATOM 985 N ALA A 67 -0.463 -1.519 1.222 1.00 0.00 N ATOM 986 CA ALA A 67 0.717 -2.309 1.545 1.00 0.00 C ATOM 987 C ALA A 67 1.991 -1.610 1.082 1.00 0.00 C ATOM 988 O ALA A 67 2.263 -1.521 -0.115 1.00 0.00 O ATOM 989 CB ALA A 67 0.614 -3.692 0.917 1.00 0.00 C ATOM 0 H ALA A 67 -0.432 -1.070 0.307 1.00 0.00 H new ATOM 0 HA ALA A 67 0.766 -2.416 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.503 -4.272 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.271 -4.201 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.536 -3.595 -0.166 1.00 0.00 H new ATOM 995 N PHE A 68 2.768 -1.114 2.039 1.00 0.00 N ATOM 996 CA PHE A 68 4.012 -0.420 1.730 1.00 0.00 C ATOM 997 C PHE A 68 5.210 -1.352 1.890 1.00 0.00 C ATOM 998 O PHE A 68 5.546 -1.766 2.999 1.00 0.00 O ATOM 999 CB PHE A 68 4.180 0.801 2.637 1.00 0.00 C ATOM 1000 CG PHE A 68 5.386 1.633 2.307 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.663 1.114 2.456 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.245 2.933 1.849 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.775 1.875 2.152 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.354 3.699 1.544 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.621 3.170 1.697 1.00 0.00 C ATOM 0 H PHE A 68 2.558 -1.180 3.035 1.00 0.00 H new ATOM 0 HA PHE A 68 3.965 -0.090 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.288 1.423 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.251 0.467 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.790 0.103 2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.257 3.352 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.764 1.458 2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.230 4.711 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.489 3.768 1.461 1.00 0.00 H new ATOM 1015 N VAL A 69 5.849 -1.682 0.771 1.00 0.00 N ATOM 1016 CA VAL A 69 7.008 -2.566 0.784 1.00 0.00 C ATOM 1017 C VAL A 69 8.228 -1.881 0.180 1.00 0.00 C ATOM 1018 O VAL A 69 8.099 -0.976 -0.646 1.00 0.00 O ATOM 1019 CB VAL A 69 6.730 -3.869 0.012 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.830 -4.888 0.269 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.370 -4.433 0.394 1.00 0.00 C ATOM 0 H VAL A 69 5.583 -1.350 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 69 7.210 -2.807 1.828 1.00 0.00 H new ATOM 0 HB VAL A 69 6.719 -3.644 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.616 -5.802 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.787 -4.481 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.877 -5.112 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.189 -5.354 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.351 -4.644 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.594 -3.706 0.153 1.00 0.00 H new ATOM 1031 N ARG A 70 9.412 -2.318 0.596 1.00 0.00 N ATOM 1032 CA ARG A 70 10.657 -1.746 0.096 1.00 0.00 C ATOM 1033 C ARG A 70 11.246 -2.613 -1.013 1.00 0.00 C ATOM 1034 O ARG A 70 11.626 -3.761 -0.782 1.00 0.00 O ATOM 1035 CB ARG A 70 11.667 -1.597 1.233 1.00 0.00 C ATOM 1036 CG ARG A 70 13.063 -1.218 0.763 1.00 0.00 C ATOM 1037 CD ARG A 70 14.044 -1.156 1.923 1.00 0.00 C ATOM 1038 NE ARG A 70 15.432 -1.198 1.469 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.089 -2.324 1.215 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.488 -3.496 1.372 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.350 -2.280 0.805 1.00 0.00 N ATOM 0 H ARG A 70 9.536 -3.066 1.278 1.00 0.00 H new ATOM 0 HA ARG A 70 10.436 -0.761 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.309 -0.838 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.721 -2.535 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.411 -1.945 0.029 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.029 -0.251 0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.876 -0.241 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.859 -1.990 2.600 1.00 0.00 H new ATOM 0 HE ARG A 70 15.924 -0.314 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.519 -3.534 1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.995 -4.359 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.816 -1.381 0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.853 -3.145 0.610 1.00 0.00 H new ATOM 1239 N PHE A 83 10.097 2.005 -3.276 1.00 0.00 N ATOM 1240 CA PHE A 83 8.899 1.629 -2.534 1.00 0.00 C ATOM 1241 C PHE A 83 7.644 1.879 -3.364 1.00 0.00 C ATOM 1242 O PHE A 83 7.701 2.506 -4.421 1.00 0.00 O ATOM 1243 CB PHE A 83 8.820 2.412 -1.221 1.00 0.00 C ATOM 1244 CG PHE A 83 10.142 2.545 -0.522 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.014 3.571 -0.849 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.513 1.644 0.463 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.232 3.697 -0.207 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.729 1.764 1.109 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.590 2.791 0.772 1.00 0.00 C ATOM 0 HA PHE A 83 8.960 0.564 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.424 3.407 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.114 1.917 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.739 4.281 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.844 0.839 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.902 4.502 -0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.006 1.056 1.876 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.542 2.885 1.274 1.00 0.00 H new ATOM 1259 N ALA A 84 6.511 1.382 -2.878 1.00 0.00 N ATOM 1260 CA ALA A 84 5.242 1.553 -3.575 1.00 0.00 C ATOM 1261 C ALA A 84 4.069 1.163 -2.681 1.00 0.00 C ATOM 1262 O ALA A 84 4.092 0.117 -2.033 1.00 0.00 O ATOM 1263 CB ALA A 84 5.227 0.731 -4.855 1.00 0.00 C ATOM 0 H ALA A 84 6.446 0.858 -2.005 1.00 0.00 H new ATOM 0 HA ALA A 84 5.136 2.607 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.273 0.869 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.037 1.058 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.360 -0.323 -4.612 1.00 0.00 H new ATOM 1269 N LEU A 85 3.046 2.011 -2.652 1.00 0.00 N ATOM 1270 CA LEU A 85 1.864 1.755 -1.837 1.00 0.00 C ATOM 1271 C LEU A 85 0.912 0.795 -2.544 1.00 0.00 C ATOM 1272 O LEU A 85 0.044 1.218 -3.308 1.00 0.00 O ATOM 1273 CB LEU A 85 1.144 3.066 -1.520 1.00 0.00 C ATOM 1274 CG LEU A 85 0.271 3.039 -0.266 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.073 2.561 0.934 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.320 4.416 0.001 1.00 0.00 C ATOM 0 H LEU A 85 3.012 2.881 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 85 2.189 1.293 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.889 3.854 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.520 3.335 -2.372 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.548 2.339 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.434 2.549 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.448 1.556 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.912 3.236 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.939 4.379 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.486 5.136 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.931 4.721 -0.849 1.00 0.00 H new ATOM 1288 N ILE A 86 1.081 -0.496 -2.285 1.00 0.00 N ATOM 1289 CA ILE A 86 0.237 -1.515 -2.896 1.00 0.00 C ATOM 1290 C ILE A 86 -1.164 -1.501 -2.294 1.00 0.00 C ATOM 1291 O ILE A 86 -1.396 -2.057 -1.220 1.00 0.00 O ATOM 1292 CB ILE A 86 0.842 -2.921 -2.730 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.072 -3.080 -3.625 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.196 -3.986 -3.054 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.085 -4.068 -3.090 1.00 0.00 C ATOM 0 H ILE A 86 1.795 -0.862 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 86 0.176 -1.279 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 86 1.152 -3.046 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.751 -3.402 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.552 -2.109 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.247 -4.975 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.046 -3.883 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.533 -3.864 -4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.930 -4.130 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.434 -3.737 -2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.621 -5.050 -2.996 1.00 0.00 H new ATOM 1307 N THR A 87 -2.097 -0.864 -2.994 1.00 0.00 N ATOM 1308 CA THR A 87 -3.477 -0.778 -2.530 1.00 0.00 C ATOM 1309 C THR A 87 -4.255 -2.040 -2.883 1.00 0.00 C ATOM 1310 O THR A 87 -4.708 -2.205 -4.016 1.00 0.00 O ATOM 1311 CB THR A 87 -4.197 0.442 -3.133 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.683 1.648 -2.559 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.697 0.357 -2.891 1.00 0.00 C ATOM 0 H THR A 87 -1.922 -0.400 -3.885 1.00 0.00 H new ATOM 0 HA THR A 87 -3.440 -0.669 -1.446 1.00 0.00 H new ATOM 0 HB THR A 87 -4.018 0.448 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.853 1.650 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.186 1.229 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.090 -0.548 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.892 0.329 -1.819 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.407 -2.929 -1.907 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.132 -4.177 -2.116 1.00 0.00 C ATOM 1323 C TRP A 88 -6.631 -3.972 -1.933 1.00 0.00 C ATOM 1324 O TRP A 88 -7.062 -3.225 -1.054 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.629 -5.250 -1.150 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.472 -6.491 -1.150 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.239 -6.959 -0.122 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.629 -7.420 -2.227 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.865 -8.124 -0.494 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.507 -8.428 -1.782 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.115 -7.499 -3.524 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -6.881 -9.499 -2.590 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.487 -8.562 -4.324 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.363 -9.551 -3.855 1.00 0.00 C ATOM 0 H TRP A 88 -4.038 -2.808 -0.964 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.952 -4.507 -3.139 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.605 -5.515 -1.413 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.602 -4.837 -0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.339 -6.483 0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.494 -8.673 0.092 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.439 -6.743 -3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.556 -10.261 -2.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.096 -8.632 -5.328 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.634 -10.370 -4.505 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.422 -4.641 -2.766 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.874 -4.532 -2.693 1.00 0.00 C ATOM 1347 C ILE A 89 -9.544 -5.831 -3.125 1.00 0.00 C ATOM 1348 O ILE A 89 -9.682 -6.105 -4.316 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.397 -3.381 -3.572 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.795 -2.049 -3.117 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.916 -3.325 -3.523 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -9.011 -0.922 -4.102 1.00 0.00 C ATOM 0 H ILE A 89 -7.082 -5.264 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.123 -4.325 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.093 -3.563 -4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.231 -1.771 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.725 -2.179 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.270 -2.506 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.327 -4.266 -3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.241 -3.163 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.559 -0.009 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.550 -1.179 -5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.080 -0.765 -4.246 1.00 0.00 H new ATOM 1364 N GLY A 90 -9.963 -6.629 -2.147 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.616 -7.890 -2.446 1.00 0.00 C ATOM 1366 C GLY A 90 -11.459 -7.822 -3.703 1.00 0.00 C ATOM 1367 O GLY A 90 -12.230 -6.881 -3.891 1.00 0.00 O ATOM 0 H GLY A 90 -9.862 -6.424 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.861 -8.668 -2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.246 -8.178 -1.605 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.313 -8.822 -4.567 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.067 -8.868 -5.814 1.00 0.00 C ATOM 1373 C GLU A 91 -13.514 -9.276 -5.561 1.00 0.00 C ATOM 1374 O GLU A 91 -14.285 -9.488 -6.497 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.415 -9.847 -6.794 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.652 -9.497 -8.253 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.187 -10.588 -9.198 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.295 -11.370 -8.809 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -11.716 -10.659 -10.327 1.00 0.00 O ATOM 0 H GLU A 91 -10.681 -9.610 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.060 -7.869 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.342 -9.875 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.799 -10.849 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.715 -9.314 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.130 -8.570 -8.490 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.878 -9.383 -4.287 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.233 -9.764 -3.907 1.00 0.00 C ATOM 1388 C ASP A 92 -15.901 -8.661 -3.093 1.00 0.00 C ATOM 1389 O ASP A 92 -17.127 -8.575 -3.032 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.214 -11.067 -3.107 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.567 -11.753 -3.085 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.270 -11.712 -4.116 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.922 -12.329 -2.034 1.00 0.00 O ATOM 0 H ASP A 92 -13.252 -9.211 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.810 -9.916 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.474 -11.743 -3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.899 -10.858 -2.085 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.084 -7.821 -2.465 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.595 -6.722 -1.653 1.00 0.00 C ATOM 1400 C VAL A 93 -16.630 -5.907 -2.420 1.00 0.00 C ATOM 1401 O VAL A 93 -16.565 -5.797 -3.644 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.459 -5.789 -1.193 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.454 -6.550 -0.341 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.777 -5.149 -2.393 1.00 0.00 C ATOM 0 H VAL A 93 -14.066 -7.880 -2.503 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.066 -7.168 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.889 -4.995 -0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.659 -5.874 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.955 -6.956 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.027 -7.366 -0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.977 -4.493 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.359 -5.927 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.505 -4.568 -2.958 1.00 0.00 H new ATOM 1414 N SER A 94 -17.583 -5.335 -1.691 1.00 0.00 N ATOM 1415 CA SER A 94 -18.633 -4.530 -2.303 1.00 0.00 C ATOM 1416 C SER A 94 -18.075 -3.207 -2.818 1.00 0.00 C ATOM 1417 O SER A 94 -17.188 -2.614 -2.207 1.00 0.00 O ATOM 1418 CB SER A 94 -19.754 -4.266 -1.295 1.00 0.00 C ATOM 1419 OG SER A 94 -20.797 -3.505 -1.880 1.00 0.00 O ATOM 0 H SER A 94 -17.649 -5.414 -0.676 1.00 0.00 H new ATOM 0 HA SER A 94 -19.037 -5.087 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.151 -5.214 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.353 -3.736 -0.431 1.00 0.00 H new ATOM 0 HG SER A 94 -21.502 -3.351 -1.216 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.602 -2.752 -3.951 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.145 -1.503 -4.532 1.00 0.00 C ATOM 1427 C GLY A 95 -17.790 -0.470 -3.480 1.00 0.00 C ATOM 1428 O GLY A 95 -16.696 0.094 -3.497 1.00 0.00 O ATOM 0 H GLY A 95 -19.337 -3.226 -4.476 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.273 -1.694 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.922 -1.102 -5.182 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.719 -0.220 -2.563 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.499 0.754 -1.500 1.00 0.00 C ATOM 1434 C LEU A 96 -17.067 0.680 -0.980 1.00 0.00 C ATOM 1435 O LEU A 96 -16.292 1.625 -1.130 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.484 0.517 -0.352 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.801 1.750 0.494 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -20.983 1.480 1.410 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -18.583 2.168 1.303 1.00 0.00 C ATOM 0 H LEU A 96 -19.630 -0.678 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.664 1.749 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.415 0.131 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.079 -0.258 0.300 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.067 2.568 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.193 2.369 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.858 1.229 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.747 0.648 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.827 3.047 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.287 1.352 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.761 2.404 0.627 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.723 -0.449 -0.370 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.384 -0.646 0.173 1.00 0.00 C ATOM 1453 C GLN A 97 -14.325 -0.113 -0.786 1.00 0.00 C ATOM 1454 O GLN A 97 -13.394 0.581 -0.375 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.136 -2.130 0.450 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.603 -2.577 1.826 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.957 -4.051 1.872 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -15.125 -4.910 1.582 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.198 -4.350 2.238 1.00 0.00 N ATOM 0 H GLN A 97 -17.352 -1.241 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.314 -0.092 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.647 -2.723 -0.309 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.070 -2.336 0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.819 -2.372 2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.473 -1.989 2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.855 -3.605 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.494 -5.325 2.287 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.471 -0.441 -2.065 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.527 0.003 -3.083 1.00 0.00 C ATOM 1470 C ARG A 98 -13.629 1.510 -3.299 1.00 0.00 C ATOM 1471 O ARG A 98 -12.632 2.178 -3.573 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.780 -0.730 -4.400 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.850 -0.303 -5.524 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.483 -0.531 -6.888 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.479 -0.733 -7.930 1.00 0.00 N ATOM 1476 CZ ARG A 98 -12.698 -0.491 -9.218 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.879 -0.041 -9.620 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -11.734 -0.700 -10.106 1.00 0.00 N ATOM 0 H ARG A 98 -15.236 -1.014 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.521 -0.230 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.670 -1.802 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.811 -0.559 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.600 0.752 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.916 -0.861 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.139 -1.401 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.106 0.325 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.560 -1.079 -7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.622 0.120 -8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.044 0.144 -10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.825 -1.046 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.902 -0.514 -11.095 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.841 2.040 -3.171 1.00 0.00 N ATOM 1493 CA ALA A 99 -15.074 3.467 -3.352 1.00 0.00 C ATOM 1494 C ALA A 99 -14.544 4.264 -2.164 1.00 0.00 C ATOM 1495 O ALA A 99 -14.332 5.473 -2.259 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.558 3.739 -3.552 1.00 0.00 C ATOM 0 H ALA A 99 -15.677 1.502 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.534 3.788 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.717 4.809 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.910 3.207 -4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.112 3.397 -2.678 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.334 3.579 -1.046 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.828 4.221 0.162 1.00 0.00 C ATOM 1504 C LYS A 100 -12.315 4.063 0.269 1.00 0.00 C ATOM 1505 O LYS A 100 -11.612 4.983 0.691 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.502 3.627 1.401 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.005 3.848 1.441 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.348 5.279 1.817 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.569 6.143 0.584 1.00 0.00 C ATOM 1510 NZ LYS A 100 -16.212 7.567 0.832 1.00 0.00 N ATOM 0 H LYS A 100 -14.506 2.578 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.062 5.284 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.300 2.557 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.055 4.066 2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.434 3.614 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.455 3.164 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.246 5.289 2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.543 5.701 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.971 5.757 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.613 6.079 0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.377 8.122 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.800 7.943 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.209 7.632 1.099 1.00 0.00 H new ATOM 1524 N THR A 101 -11.817 2.893 -0.116 1.00 0.00 N ATOM 1525 CA THR A 101 -10.388 2.615 -0.063 1.00 0.00 C ATOM 1526 C THR A 101 -9.603 3.605 -0.917 1.00 0.00 C ATOM 1527 O THR A 101 -8.505 4.020 -0.551 1.00 0.00 O ATOM 1528 CB THR A 101 -10.076 1.183 -0.540 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.012 0.262 0.029 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.661 0.780 -0.151 1.00 0.00 C ATOM 0 H THR A 101 -12.383 2.121 -0.469 1.00 0.00 H new ATOM 0 HA THR A 101 -10.085 2.717 0.979 1.00 0.00 H new ATOM 0 HB THR A 101 -10.159 1.160 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.794 0.186 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.463 -0.234 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.948 1.466 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.557 0.819 0.933 1.00 0.00 H new ATOM 1538 N GLY A 102 -10.176 3.980 -2.057 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.516 4.919 -2.945 1.00 0.00 C ATOM 1540 C GLY A 102 -9.550 6.339 -2.415 1.00 0.00 C ATOM 1541 O GLY A 102 -8.565 7.071 -2.517 1.00 0.00 O ATOM 0 H GLY A 102 -11.085 3.650 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.480 4.612 -3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.996 4.888 -3.923 1.00 0.00 H new ATOM 1545 N THR A 103 -10.687 6.731 -1.849 1.00 0.00 N ATOM 1546 CA THR A 103 -10.846 8.073 -1.303 1.00 0.00 C ATOM 1547 C THR A 103 -10.033 8.247 -0.025 1.00 0.00 C ATOM 1548 O THR A 103 -9.538 9.338 0.263 1.00 0.00 O ATOM 1549 CB THR A 103 -12.324 8.386 -1.005 1.00 0.00 C ATOM 1550 OG1 THR A 103 -13.109 8.224 -2.192 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.481 9.805 -0.477 1.00 0.00 C ATOM 0 H THR A 103 -11.512 6.138 -1.757 1.00 0.00 H new ATOM 0 HA THR A 103 -10.481 8.768 -2.059 1.00 0.00 H new ATOM 0 HB THR A 103 -12.673 7.690 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.488 7.320 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.533 10.003 -0.274 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.906 9.917 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.116 10.513 -1.221 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.899 7.168 0.736 1.00 0.00 N ATOM 1560 CA ASP A 104 -9.144 7.202 1.984 1.00 0.00 C ATOM 1561 C ASP A 104 -7.664 6.930 1.731 1.00 0.00 C ATOM 1562 O ASP A 104 -6.890 6.730 2.667 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.702 6.175 2.971 1.00 0.00 C ATOM 1564 CG ASP A 104 -11.210 6.257 3.100 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.775 7.331 2.803 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.828 5.247 3.498 1.00 0.00 O ATOM 0 H ASP A 104 -10.303 6.259 0.512 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.244 8.199 2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.422 5.173 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.247 6.331 3.949 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.278 6.923 0.460 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.891 6.676 0.082 1.00 0.00 C ATOM 1573 C LYS A 105 -5.057 7.945 0.220 1.00 0.00 C ATOM 1574 O LYS A 105 -3.868 7.888 0.536 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.818 6.158 -1.356 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.404 6.084 -1.904 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.369 6.358 -3.398 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.668 7.818 -3.705 1.00 0.00 C ATOM 1579 NZ LYS A 105 -3.428 8.642 -3.737 1.00 0.00 N ATOM 0 H LYS A 105 -7.906 7.086 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.485 5.920 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.268 5.166 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.414 6.807 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.774 6.807 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.987 5.097 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.388 6.095 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.097 5.723 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.177 7.890 -4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.349 8.215 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.673 9.630 -3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.955 8.593 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.789 8.279 -4.472 1.00 0.00 H new ATOM 1593 N THR A 106 -5.686 9.092 -0.018 1.00 0.00 N ATOM 1594 CA THR A 106 -5.000 10.375 0.079 1.00 0.00 C ATOM 1595 C THR A 106 -4.441 10.593 1.480 1.00 0.00 C ATOM 1596 O THR A 106 -3.594 11.462 1.692 1.00 0.00 O ATOM 1597 CB THR A 106 -5.941 11.542 -0.274 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.669 11.240 -1.470 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.156 12.832 -0.464 1.00 0.00 C ATOM 0 H THR A 106 -6.670 9.159 -0.279 1.00 0.00 H new ATOM 0 HA THR A 106 -4.179 10.351 -0.637 1.00 0.00 H new ATOM 0 HB THR A 106 -6.640 11.679 0.551 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.266 11.986 -1.687 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.842 13.642 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.626 13.075 0.457 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.437 12.704 -1.273 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.919 9.802 2.434 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.466 9.909 3.816 1.00 0.00 C ATOM 1609 C LEU A 107 -3.179 9.118 4.029 1.00 0.00 C ATOM 1610 O LEU A 107 -2.235 9.603 4.652 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.551 9.407 4.771 1.00 0.00 C ATOM 1612 CG LEU A 107 -6.890 10.138 4.670 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.540 9.877 3.321 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.815 9.712 5.801 1.00 0.00 C ATOM 0 H LEU A 107 -5.621 9.079 2.276 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.265 10.959 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.718 8.347 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.183 9.494 5.793 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.706 11.209 4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.492 10.405 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.883 10.231 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.711 8.807 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.764 10.242 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.992 8.638 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.353 9.951 6.759 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.149 7.896 3.507 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.978 7.037 3.638 1.00 0.00 C ATOM 1628 C VAL A 108 -0.765 7.652 2.950 1.00 0.00 C ATOM 1629 O VAL A 108 0.355 7.575 3.455 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.237 5.640 3.045 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.080 4.703 3.358 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.548 5.074 3.571 1.00 0.00 C ATOM 0 H VAL A 108 -3.922 7.478 2.989 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.776 6.939 4.705 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.315 5.733 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.281 3.721 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.161 5.104 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.967 4.612 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.716 4.086 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.500 4.995 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.368 5.735 3.291 1.00 0.00 H new ATOM 1642 N LYS A 109 -0.996 8.263 1.793 1.00 0.00 N ATOM 1643 CA LYS A 109 0.078 8.895 1.033 1.00 0.00 C ATOM 1644 C LYS A 109 0.727 10.016 1.838 1.00 0.00 C ATOM 1645 O LYS A 109 1.940 10.210 1.782 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.461 9.446 -0.288 1.00 0.00 C ATOM 1647 CG LYS A 109 0.510 10.370 -1.002 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.180 11.165 -2.098 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.198 12.139 -1.524 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.408 13.313 -2.415 1.00 0.00 N ATOM 0 H LYS A 109 -1.917 8.334 1.360 1.00 0.00 H new ATOM 0 HA LYS A 109 0.834 8.139 0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.707 8.613 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.388 9.985 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.958 11.055 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.322 9.784 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.565 11.713 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.677 10.482 -2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.147 11.624 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.861 12.482 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.108 13.952 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.508 13.819 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.754 12.989 -3.341 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.091 10.752 2.586 1.00 0.00 N ATOM 1665 CA GLU A 110 0.405 11.853 3.402 1.00 0.00 C ATOM 1666 C GLU A 110 1.645 11.435 4.187 1.00 0.00 C ATOM 1667 O GLU A 110 2.656 12.136 4.193 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.683 12.335 4.364 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.056 12.448 3.723 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.050 13.316 2.481 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.519 12.867 1.445 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.579 14.445 2.545 1.00 0.00 O ATOM 0 H GLU A 110 -1.099 10.605 2.643 1.00 0.00 H new ATOM 0 HA GLU A 110 0.678 12.670 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.741 11.647 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.397 13.308 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.415 11.452 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.758 12.861 4.447 1.00 0.00 H new ATOM 1679 N VAL A 111 1.558 10.285 4.849 1.00 0.00 N ATOM 1680 CA VAL A 111 2.672 9.771 5.637 1.00 0.00 C ATOM 1681 C VAL A 111 3.810 9.302 4.738 1.00 0.00 C ATOM 1682 O VAL A 111 4.963 9.694 4.923 1.00 0.00 O ATOM 1683 CB VAL A 111 2.230 8.602 6.538 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.422 8.020 7.280 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.154 9.060 7.513 1.00 0.00 C ATOM 0 H VAL A 111 0.728 9.692 4.855 1.00 0.00 H new ATOM 0 HA VAL A 111 3.022 10.591 6.264 1.00 0.00 H new ATOM 0 HB VAL A 111 1.808 7.819 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.090 7.196 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.155 7.654 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.877 8.792 7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.853 8.222 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.547 9.861 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.291 9.425 6.957 1.00 0.00 H new ATOM 1695 N VAL A 112 3.481 8.459 3.764 1.00 0.00 N ATOM 1696 CA VAL A 112 4.476 7.938 2.835 1.00 0.00 C ATOM 1697 C VAL A 112 4.511 8.757 1.551 1.00 0.00 C ATOM 1698 O VAL A 112 3.565 8.734 0.763 1.00 0.00 O ATOM 1699 CB VAL A 112 4.197 6.464 2.483 1.00 0.00 C ATOM 1700 CG1 VAL A 112 3.761 5.694 3.720 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.148 6.367 1.387 1.00 0.00 C ATOM 0 H VAL A 112 2.533 8.122 3.598 1.00 0.00 H new ATOM 0 HA VAL A 112 5.443 8.009 3.334 1.00 0.00 H new ATOM 0 HB VAL A 112 5.119 6.016 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.568 4.655 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.550 5.735 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.852 6.139 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 112 2.964 5.319 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 112 2.222 6.831 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.505 6.882 0.495 1.00 0.00 H new ATOM 1711 N GLN A 113 5.607 9.480 1.345 1.00 0.00 N ATOM 1712 CA GLN A 113 5.765 10.307 0.156 1.00 0.00 C ATOM 1713 C GLN A 113 7.060 9.968 -0.576 1.00 0.00 C ATOM 1714 O GLN A 113 7.173 10.170 -1.784 1.00 0.00 O ATOM 1715 CB GLN A 113 5.752 11.790 0.534 1.00 0.00 C ATOM 1716 CG GLN A 113 4.652 12.157 1.516 1.00 0.00 C ATOM 1717 CD GLN A 113 3.324 12.422 0.833 1.00 0.00 C ATOM 1718 OE1 GLN A 113 2.993 11.790 -0.171 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.556 13.359 1.375 1.00 0.00 N ATOM 0 H GLN A 113 6.399 9.509 1.987 1.00 0.00 H new ATOM 0 HA GLN A 113 4.928 10.102 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.717 12.055 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.634 12.386 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 113 4.530 11.349 2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.951 13.043 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.870 13.858 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 113 1.651 13.580 0.959 1.00 0.00 H new ATOM 1728 N ASN A 114 8.035 9.452 0.166 1.00 0.00 N ATOM 1729 CA ASN A 114 9.323 9.086 -0.412 1.00 0.00 C ATOM 1730 C ASN A 114 9.163 7.958 -1.427 1.00 0.00 C ATOM 1731 O ASN A 114 9.939 7.848 -2.376 1.00 0.00 O ATOM 1732 CB ASN A 114 10.298 8.662 0.689 1.00 0.00 C ATOM 1733 CG ASN A 114 11.745 8.871 0.292 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.255 8.207 -0.612 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.416 9.797 0.966 1.00 0.00 N ATOM 0 H ASN A 114 7.958 9.278 1.168 1.00 0.00 H new ATOM 0 HA ASN A 114 9.724 9.960 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.087 9.230 1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.138 7.610 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.394 9.982 0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.954 10.323 1.707 1.00 0.00 H new ATOM 1742 N PHE A 115 8.149 7.124 -1.221 1.00 0.00 N ATOM 1743 CA PHE A 115 7.887 6.004 -2.117 1.00 0.00 C ATOM 1744 C PHE A 115 7.786 6.478 -3.564 1.00 0.00 C ATOM 1745 O PHE A 115 8.089 7.629 -3.874 1.00 0.00 O ATOM 1746 CB PHE A 115 6.596 5.289 -1.711 1.00 0.00 C ATOM 1747 CG PHE A 115 5.366 5.861 -2.358 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.278 7.215 -2.632 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.300 5.042 -2.691 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.148 7.744 -3.227 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.168 5.564 -3.286 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.091 6.918 -3.553 1.00 0.00 C ATOM 0 H PHE A 115 7.496 7.203 -0.442 1.00 0.00 H new ATOM 0 HA PHE A 115 8.720 5.306 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.677 4.234 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.486 5.342 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.102 7.866 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.354 3.984 -2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.092 8.802 -3.437 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.344 4.915 -3.542 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.206 7.329 -4.016 1.00 0.00 H new ATOM 1762 N ALA A 116 7.358 5.580 -4.446 1.00 0.00 N ATOM 1763 CA ALA A 116 7.215 5.906 -5.859 1.00 0.00 C ATOM 1764 C ALA A 116 5.765 6.224 -6.206 1.00 0.00 C ATOM 1765 O ALA A 116 5.426 7.364 -6.523 1.00 0.00 O ATOM 1766 CB ALA A 116 7.727 4.760 -6.720 1.00 0.00 C ATOM 0 H ALA A 116 7.104 4.622 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 116 7.813 6.794 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.614 5.017 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.780 4.582 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.154 3.858 -6.503 1.00 0.00 H new ATOM 1772 N LYS A 117 4.911 5.207 -6.144 1.00 0.00 N ATOM 1773 CA LYS A 117 3.495 5.377 -6.451 1.00 0.00 C ATOM 1774 C LYS A 117 2.664 4.265 -5.818 1.00 0.00 C ATOM 1775 O LYS A 117 3.202 3.245 -5.388 1.00 0.00 O ATOM 1776 CB LYS A 117 3.279 5.391 -7.965 1.00 0.00 C ATOM 1777 CG LYS A 117 1.953 4.786 -8.396 1.00 0.00 C ATOM 1778 CD LYS A 117 1.922 4.520 -9.892 1.00 0.00 C ATOM 1779 CE LYS A 117 0.589 3.926 -10.324 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.465 3.863 -11.806 1.00 0.00 N ATOM 0 H LYS A 117 5.175 4.257 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 117 3.170 6.331 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.333 6.420 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.091 4.845 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.785 3.854 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.140 5.461 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.099 5.450 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.729 3.838 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.486 2.924 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.225 4.526 -9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.456 3.453 -12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.538 4.822 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.227 3.270 -12.193 1.00 0.00 H new ATOM 1794 N GLU A 118 1.352 4.469 -5.766 1.00 0.00 N ATOM 1795 CA GLU A 118 0.448 3.483 -5.187 1.00 0.00 C ATOM 1796 C GLU A 118 0.026 2.453 -6.230 1.00 0.00 C ATOM 1797 O GLU A 118 -0.430 2.805 -7.317 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.789 4.172 -4.604 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.663 4.840 -5.652 1.00 0.00 C ATOM 1800 CD GLU A 118 -2.787 3.942 -6.132 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.129 2.982 -5.409 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.324 4.199 -7.230 1.00 0.00 O ATOM 0 H GLU A 118 0.891 5.308 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 118 0.979 2.967 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.383 3.436 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.470 4.920 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.086 5.755 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.046 5.130 -6.503 1.00 0.00 H new ATOM 1809 N PHE A 119 0.182 1.178 -5.890 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.181 0.095 -6.797 1.00 0.00 C ATOM 1811 C PHE A 119 -1.514 -0.529 -6.393 1.00 0.00 C ATOM 1812 O PHE A 119 -1.587 -1.299 -5.436 1.00 0.00 O ATOM 1813 CB PHE A 119 0.912 -0.975 -6.811 1.00 0.00 C ATOM 1814 CG PHE A 119 2.160 -0.548 -7.531 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.341 0.773 -7.905 1.00 0.00 C ATOM 1816 CD2 PHE A 119 3.151 -1.469 -7.831 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.487 1.169 -8.568 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.300 -1.079 -8.494 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.469 0.241 -8.861 1.00 0.00 C ATOM 0 H PHE A 119 0.557 0.869 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.284 0.513 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.166 -1.237 -5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.521 -1.877 -7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.578 1.502 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 119 3.025 -2.502 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.615 2.202 -8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 119 5.064 -1.806 -8.724 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.367 0.548 -9.376 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.566 -0.190 -7.130 1.00 0.00 N ATOM 1830 CA VAL A 120 -3.897 -0.716 -6.850 1.00 0.00 C ATOM 1831 C VAL A 120 -4.075 -2.108 -7.447 1.00 0.00 C ATOM 1832 O VAL A 120 -4.296 -2.255 -8.650 1.00 0.00 O ATOM 1833 CB VAL A 120 -4.996 0.212 -7.403 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.374 -0.376 -7.140 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -4.874 1.601 -6.796 1.00 0.00 C ATOM 0 H VAL A 120 -2.523 0.447 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 120 -3.992 -0.774 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.866 0.299 -8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.137 0.293 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.454 -1.348 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.520 -0.495 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.658 2.244 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.978 1.535 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.899 2.021 -7.042 1.00 0.00 H new ATOM 1845 N ILE A 121 -3.978 -3.126 -6.599 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.129 -4.506 -7.044 1.00 0.00 C ATOM 1847 C ILE A 121 -5.392 -5.134 -6.466 1.00 0.00 C ATOM 1848 O ILE A 121 -5.758 -4.874 -5.319 1.00 0.00 O ATOM 1849 CB ILE A 121 -2.914 -5.363 -6.642 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.612 -4.633 -6.984 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -2.966 -6.715 -7.337 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.386 -5.258 -6.355 1.00 0.00 C ATOM 0 H ILE A 121 -3.796 -3.022 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.202 -4.481 -8.131 1.00 0.00 H new ATOM 0 HB ILE A 121 -2.945 -5.528 -5.565 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.487 -4.618 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.690 -3.596 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.101 -7.309 -7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.879 -7.237 -7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.956 -6.569 -8.417 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.499 -4.689 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.489 -5.249 -5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.284 -6.286 -6.701 1.00 0.00 H new ATOM 1864 N SER A 122 -6.054 -5.963 -7.267 1.00 0.00 N ATOM 1865 CA SER A 122 -7.279 -6.628 -6.836 1.00 0.00 C ATOM 1866 C SER A 122 -7.112 -8.144 -6.862 1.00 0.00 C ATOM 1867 O SER A 122 -7.890 -8.875 -6.249 1.00 0.00 O ATOM 1868 CB SER A 122 -8.449 -6.216 -7.729 1.00 0.00 C ATOM 1869 OG SER A 122 -8.306 -4.877 -8.173 1.00 0.00 O ATOM 0 H SER A 122 -5.763 -6.190 -8.218 1.00 0.00 H new ATOM 0 HA SER A 122 -7.489 -6.321 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.507 -6.883 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.385 -6.322 -7.180 1.00 0.00 H new ATOM 0 HG SER A 122 -9.066 -4.639 -8.744 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.093 -8.608 -7.577 1.00 0.00 N ATOM 1876 CA ASP A 123 -5.822 -10.037 -7.684 1.00 0.00 C ATOM 1877 C ASP A 123 -4.463 -10.380 -7.083 1.00 0.00 C ATOM 1878 O ASP A 123 -3.449 -9.778 -7.435 1.00 0.00 O ATOM 1879 CB ASP A 123 -5.872 -10.479 -9.147 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.302 -11.925 -9.302 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -5.677 -12.800 -8.667 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -7.262 -12.182 -10.057 1.00 0.00 O ATOM 0 H ASP A 123 -5.441 -8.015 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.591 -10.570 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.563 -9.837 -9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -4.888 -10.345 -9.597 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.451 -11.348 -6.172 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.217 -11.768 -5.520 1.00 0.00 C ATOM 1889 C ARG A 124 -2.142 -12.097 -6.551 1.00 0.00 C ATOM 1890 O ARG A 124 -0.963 -11.805 -6.349 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.475 -12.985 -4.631 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.163 -12.647 -3.318 1.00 0.00 C ATOM 1893 CD ARG A 124 -3.833 -13.664 -2.237 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.341 -14.994 -2.564 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.449 -15.978 -1.679 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -4.085 -15.783 -0.419 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -4.920 -17.160 -2.053 1.00 0.00 N ATOM 0 H ARG A 124 -5.282 -11.856 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 124 -2.863 -10.943 -4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.088 -13.701 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.526 -13.476 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.856 -11.654 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.242 -12.613 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.752 -13.712 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.259 -13.336 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.629 -15.177 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.721 -14.876 -0.128 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -4.169 -16.540 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.200 -17.314 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.002 -17.915 -1.372 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.557 -12.705 -7.657 1.00 0.00 N ATOM 1912 CA LYS A 125 -1.630 -13.073 -8.721 1.00 0.00 C ATOM 1913 C LYS A 125 -0.788 -11.875 -9.149 1.00 0.00 C ATOM 1914 O LYS A 125 0.234 -12.030 -9.815 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.397 -13.626 -9.924 1.00 0.00 C ATOM 1916 CG LYS A 125 -2.609 -15.129 -9.873 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.358 -15.884 -10.289 1.00 0.00 C ATOM 1918 CE LYS A 125 -1.131 -15.802 -11.791 1.00 0.00 C ATOM 1919 NZ LYS A 125 -2.200 -16.506 -12.552 1.00 0.00 N ATOM 0 H LYS A 125 -3.529 -12.953 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.963 -13.844 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.367 -13.133 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.855 -13.375 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.893 -15.423 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.435 -15.403 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.494 -15.474 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.446 -16.928 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.096 -14.756 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.163 -16.238 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.771 -17.222 -13.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.851 -16.970 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.726 -15.819 -13.129 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.224 -10.682 -8.758 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.509 -9.458 -9.101 1.00 0.00 C ATOM 1935 C GLU A 126 0.302 -8.950 -7.912 1.00 0.00 C ATOM 1936 O GLU A 126 1.232 -8.162 -8.073 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.491 -8.378 -9.561 1.00 0.00 C ATOM 1938 CG GLU A 126 -1.963 -8.555 -10.994 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.262 -7.235 -11.677 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -2.987 -6.411 -11.082 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -1.771 -7.026 -12.805 1.00 0.00 O ATOM 0 H GLU A 126 -2.068 -10.537 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 126 0.177 -9.686 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.357 -8.381 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.017 -7.402 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.200 -9.088 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -2.859 -9.176 -11.003 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.059 -9.409 -6.719 1.00 0.00 N ATOM 1949 CA LEU A 127 0.634 -9.002 -5.501 1.00 0.00 C ATOM 1950 C LEU A 127 2.070 -9.513 -5.495 1.00 0.00 C ATOM 1951 O LEU A 127 2.899 -9.054 -4.711 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.110 -9.522 -4.268 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.264 -8.641 -3.789 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.735 -7.433 -3.032 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.121 -8.199 -4.966 1.00 0.00 C ATOM 0 H LEU A 127 -0.827 -10.063 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 127 0.655 -7.913 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.499 -10.516 -4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.604 -9.634 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.885 -9.227 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.571 -6.818 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.163 -7.768 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.091 -6.846 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.938 -7.573 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.510 -7.631 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.530 -9.076 -5.468 1.00 0.00 H new ATOM 1967 N GLU A 128 2.357 -10.467 -6.377 1.00 0.00 N ATOM 1968 CA GLU A 128 3.693 -11.041 -6.473 1.00 0.00 C ATOM 1969 C GLU A 128 4.750 -9.945 -6.574 1.00 0.00 C ATOM 1970 O GLU A 128 4.900 -9.306 -7.615 1.00 0.00 O ATOM 1971 CB GLU A 128 3.788 -11.969 -7.686 1.00 0.00 C ATOM 1972 CG GLU A 128 2.612 -12.923 -7.816 1.00 0.00 C ATOM 1973 CD GLU A 128 2.993 -14.232 -8.480 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.939 -14.228 -9.296 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.346 -15.258 -8.184 1.00 0.00 O ATOM 0 H GLU A 128 1.682 -10.858 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 128 3.878 -11.619 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.857 -11.365 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.709 -12.548 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.204 -13.127 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.822 -12.443 -8.394 1.00 0.00 H new ATOM 1982 N GLU A 129 5.481 -9.734 -5.483 1.00 0.00 N ATOM 1983 CA GLU A 129 6.522 -8.714 -5.449 1.00 0.00 C ATOM 1984 C GLU A 129 7.284 -8.669 -6.770 1.00 0.00 C ATOM 1985 O GLU A 129 7.711 -7.604 -7.217 1.00 0.00 O ATOM 1986 CB GLU A 129 7.493 -8.984 -4.297 1.00 0.00 C ATOM 1987 CG GLU A 129 8.669 -9.864 -4.685 1.00 0.00 C ATOM 1988 CD GLU A 129 9.328 -10.519 -3.487 1.00 0.00 C ATOM 1989 OE1 GLU A 129 10.113 -9.837 -2.795 1.00 0.00 O ATOM 1990 OE2 GLU A 129 9.059 -11.714 -3.240 1.00 0.00 O ATOM 0 H GLU A 129 5.371 -10.255 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 129 6.043 -7.747 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.870 -8.033 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.950 -9.458 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.328 -10.636 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.407 -9.264 -5.218 1.00 0.00 H new ATOM 1997 N ASP A 130 7.452 -9.833 -7.389 1.00 0.00 N ATOM 1998 CA ASP A 130 8.162 -9.928 -8.658 1.00 0.00 C ATOM 1999 C ASP A 130 7.525 -9.021 -9.707 1.00 0.00 C ATOM 2000 O ASP A 130 8.220 -8.308 -10.432 1.00 0.00 O ATOM 2001 CB ASP A 130 8.171 -11.374 -9.156 1.00 0.00 C ATOM 2002 CG ASP A 130 8.531 -12.361 -8.062 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.141 -11.936 -7.059 1.00 0.00 O ATOM 2004 OD2 ASP A 130 8.204 -13.556 -8.210 1.00 0.00 O ATOM 0 H ASP A 130 7.106 -10.723 -7.032 1.00 0.00 H new ATOM 0 HA ASP A 130 9.189 -9.601 -8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.189 -11.623 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.883 -11.469 -9.976 1.00 0.00 H new ATOM 2009 N PHE A 131 6.199 -9.054 -9.782 1.00 0.00 N ATOM 2010 CA PHE A 131 5.467 -8.236 -10.743 1.00 0.00 C ATOM 2011 C PHE A 131 5.590 -6.753 -10.401 1.00 0.00 C ATOM 2012 O PHE A 131 5.718 -5.909 -11.288 1.00 0.00 O ATOM 2013 CB PHE A 131 3.993 -8.643 -10.774 1.00 0.00 C ATOM 2014 CG PHE A 131 3.130 -7.711 -11.574 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.346 -7.539 -12.933 1.00 0.00 C ATOM 2016 CD2 PHE A 131 2.101 -7.006 -10.971 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.554 -6.681 -13.672 1.00 0.00 C ATOM 2018 CE2 PHE A 131 1.305 -6.147 -11.705 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.532 -5.985 -13.057 1.00 0.00 C ATOM 0 H PHE A 131 5.609 -9.638 -9.189 1.00 0.00 H new ATOM 0 HA PHE A 131 5.903 -8.401 -11.728 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.911 -9.648 -11.189 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.615 -8.688 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.143 -8.082 -13.420 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.919 -7.129 -9.914 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.734 -6.555 -14.729 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.507 -5.603 -11.222 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.911 -5.315 -13.633 1.00 0.00 H new ATOM 2029 N ILE A 132 5.549 -6.445 -9.108 1.00 0.00 N ATOM 2030 CA ILE A 132 5.655 -5.067 -8.649 1.00 0.00 C ATOM 2031 C ILE A 132 6.872 -4.378 -9.257 1.00 0.00 C ATOM 2032 O ILE A 132 6.769 -3.276 -9.797 1.00 0.00 O ATOM 2033 CB ILE A 132 5.750 -4.992 -7.113 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.638 -5.822 -6.470 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.675 -3.544 -6.648 1.00 0.00 C ATOM 2036 CD1 ILE A 132 3.251 -5.439 -6.938 1.00 0.00 C ATOM 0 H ILE A 132 5.443 -7.132 -8.361 1.00 0.00 H new ATOM 0 HA ILE A 132 4.750 -4.554 -8.975 1.00 0.00 H new ATOM 0 HB ILE A 132 6.710 -5.404 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.809 -6.876 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.691 -5.709 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.743 -3.507 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.499 -2.979 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.728 -3.108 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.513 -6.068 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.060 -4.394 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.180 -5.578 -8.017 1.00 0.00 H new ATOM 2048 N ARG A 133 8.024 -5.034 -9.167 1.00 0.00 N ATOM 2049 CA ARG A 133 9.261 -4.484 -9.708 1.00 0.00 C ATOM 2050 C ARG A 133 9.058 -3.997 -11.140 1.00 0.00 C ATOM 2051 O ARG A 133 9.269 -2.822 -11.441 1.00 0.00 O ATOM 2052 CB ARG A 133 10.371 -5.536 -9.669 1.00 0.00 C ATOM 2053 CG ARG A 133 11.201 -5.498 -8.397 1.00 0.00 C ATOM 2054 CD ARG A 133 10.603 -6.384 -7.315 1.00 0.00 C ATOM 2055 NE ARG A 133 11.081 -7.760 -7.409 1.00 0.00 N ATOM 2056 CZ ARG A 133 12.354 -8.109 -7.261 1.00 0.00 C ATOM 2057 NH1 ARG A 133 13.273 -7.186 -7.012 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.711 -9.384 -7.362 1.00 0.00 N ATOM 0 H ARG A 133 8.127 -5.947 -8.724 1.00 0.00 H new ATOM 0 HA ARG A 133 9.553 -3.634 -9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.926 -6.526 -9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.028 -5.390 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.218 -5.824 -8.615 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.266 -4.472 -8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.854 -5.979 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.516 -6.371 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 133 10.399 -8.495 -7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.003 -6.206 -6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.250 -7.457 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.007 -10.097 -7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.689 -9.650 -7.248 1.00 0.00 H new ATOM 2072 N SER A 134 8.648 -4.907 -12.017 1.00 0.00 N ATOM 2073 CA SER A 134 8.420 -4.570 -13.418 1.00 0.00 C ATOM 2074 C SER A 134 7.753 -3.205 -13.548 1.00 0.00 C ATOM 2075 O SER A 134 8.097 -2.416 -14.426 1.00 0.00 O ATOM 2076 CB SER A 134 7.553 -5.640 -14.087 1.00 0.00 C ATOM 2077 OG SER A 134 7.058 -5.187 -15.335 1.00 0.00 O ATOM 0 H SER A 134 8.467 -5.883 -11.783 1.00 0.00 H new ATOM 0 HA SER A 134 9.388 -4.530 -13.918 1.00 0.00 H new ATOM 0 HB2 SER A 134 8.138 -6.548 -14.232 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.720 -5.898 -13.434 1.00 0.00 H new ATOM 0 HG SER A 134 6.509 -5.888 -15.743 1.00 0.00 H new ATOM 2083 N GLU A 135 6.797 -2.933 -12.664 1.00 0.00 N ATOM 2084 CA GLU A 135 6.081 -1.664 -12.679 1.00 0.00 C ATOM 2085 C GLU A 135 7.024 -0.503 -12.376 1.00 0.00 C ATOM 2086 O GLU A 135 7.226 0.382 -13.207 1.00 0.00 O ATOM 2087 CB GLU A 135 4.937 -1.685 -11.664 1.00 0.00 C ATOM 2088 CG GLU A 135 4.016 -2.885 -11.809 1.00 0.00 C ATOM 2089 CD GLU A 135 2.903 -2.648 -12.812 1.00 0.00 C ATOM 2090 OE1 GLU A 135 2.230 -1.601 -12.715 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.705 -3.510 -13.693 1.00 0.00 O ATOM 0 H GLU A 135 6.501 -3.575 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 135 5.667 -1.522 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.355 -1.678 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.351 -0.773 -11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.600 -3.752 -12.118 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.581 -3.124 -10.839 1.00 0.00 H new