USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= -0.353 K(o=-0.24,f=-1.8) USER MOD Set 1.2: A 62 TYR OH : rot -100:sc= 0.113 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -160:sc= -0.378 USER MOD Single : A 16 SER OG : rot 128:sc= 0.854 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0228) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -86:sc= -0.289 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 1:sc= 1.65 USER MOD Single : A 43 SER OG : rot -2:sc= 0.723 USER MOD Single : A 46 THR OG1 : rot -110:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.4!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 66.835 -2.750 14.277 1.00 0.00 N ATOM 138 CA LEU A 8 67.251 -1.764 13.225 1.00 0.00 C ATOM 139 C LEU A 8 68.603 -2.161 12.622 1.00 0.00 C ATOM 140 O LEU A 8 69.239 -3.096 13.073 1.00 0.00 O ATOM 141 CB LEU A 8 67.376 -0.421 13.955 1.00 0.00 C ATOM 142 CG LEU A 8 66.002 0.020 14.466 1.00 0.00 C ATOM 143 CD1 LEU A 8 66.168 1.206 15.417 1.00 0.00 C ATOM 144 CD2 LEU A 8 65.126 0.439 13.282 1.00 0.00 C ATOM 0 HA LEU A 8 66.533 -1.722 12.406 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.072 -0.513 14.789 1.00 0.00 H new ATOM 0 HB3 LEU A 8 67.783 0.333 13.282 1.00 0.00 H new ATOM 0 HG LEU A 8 65.530 -0.808 14.994 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.190 1.520 15.781 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.792 0.911 16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 8 66.641 2.033 14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 64.148 0.753 13.646 1.00 0.00 H new ATOM 0 HD22 LEU A 8 65.599 1.267 12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.006 -0.404 12.602 1.00 0.00 H new ATOM 156 N GLY A 9 69.043 -1.454 11.608 1.00 0.00 N ATOM 157 CA GLY A 9 70.353 -1.787 10.965 1.00 0.00 C ATOM 158 C GLY A 9 70.213 -2.942 9.960 1.00 0.00 C ATOM 159 O GLY A 9 71.176 -3.322 9.320 1.00 0.00 O ATOM 0 H GLY A 9 68.551 -0.660 11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 9 70.743 -0.906 10.455 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.077 -2.058 11.733 1.00 0.00 H new ATOM 163 N SER A 10 69.031 -3.504 9.811 1.00 0.00 N ATOM 164 CA SER A 10 68.852 -4.668 8.876 1.00 0.00 C ATOM 165 C SER A 10 69.229 -4.268 7.445 1.00 0.00 C ATOM 166 O SER A 10 69.254 -3.099 7.110 1.00 0.00 O ATOM 167 CB SER A 10 67.367 -5.027 8.952 1.00 0.00 C ATOM 168 OG SER A 10 67.022 -5.315 10.301 1.00 0.00 O ATOM 0 H SER A 10 68.184 -3.207 10.296 1.00 0.00 H new ATOM 0 HA SER A 10 69.489 -5.509 9.151 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.762 -4.201 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 10 67.156 -5.889 8.319 1.00 0.00 H new ATOM 0 HG SER A 10 66.071 -5.544 10.354 1.00 0.00 H new ATOM 174 N LYS A 11 69.523 -5.232 6.607 1.00 0.00 N ATOM 175 CA LYS A 11 69.910 -4.913 5.196 1.00 0.00 C ATOM 176 C LYS A 11 68.660 -4.661 4.338 1.00 0.00 C ATOM 177 O LYS A 11 67.752 -5.474 4.288 1.00 0.00 O ATOM 178 CB LYS A 11 70.703 -6.135 4.694 1.00 0.00 C ATOM 179 CG LYS A 11 69.803 -7.376 4.599 1.00 0.00 C ATOM 180 CD LYS A 11 70.664 -8.610 4.321 1.00 0.00 C ATOM 181 CE LYS A 11 71.434 -8.992 5.587 1.00 0.00 C ATOM 182 NZ LYS A 11 72.113 -10.274 5.252 1.00 0.00 N ATOM 0 H LYS A 11 69.512 -6.225 6.838 1.00 0.00 H new ATOM 0 HA LYS A 11 70.510 -4.005 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.132 -5.917 3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.535 -6.336 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.248 -7.508 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.068 -7.246 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 11 70.035 -9.441 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.360 -8.405 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 11 72.156 -8.222 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 11 70.762 -9.111 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.662 -10.601 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 71.400 -10.990 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 72.751 -10.128 4.444 1.00 0.00 H new ATOM 196 N ILE A 12 68.612 -3.536 3.665 1.00 0.00 N ATOM 197 CA ILE A 12 67.437 -3.222 2.795 1.00 0.00 C ATOM 198 C ILE A 12 67.899 -3.017 1.348 1.00 0.00 C ATOM 199 O ILE A 12 68.971 -2.493 1.097 1.00 0.00 O ATOM 200 CB ILE A 12 66.835 -1.928 3.368 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.397 -2.162 4.821 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.612 -1.512 2.537 1.00 0.00 C ATOM 203 CD1 ILE A 12 66.018 -0.827 5.466 1.00 0.00 C ATOM 0 H ILE A 12 69.339 -2.820 3.682 1.00 0.00 H new ATOM 0 HA ILE A 12 66.704 -4.028 2.784 1.00 0.00 H new ATOM 0 HB ILE A 12 67.587 -1.140 3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.548 -2.845 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.204 -2.633 5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.189 -0.595 2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.915 -1.342 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.863 -2.303 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.708 -0.996 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.879 -0.158 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.197 -0.374 4.910 1.00 0.00 H new ATOM 215 N SER A 13 67.089 -3.431 0.403 1.00 0.00 N ATOM 216 CA SER A 13 67.398 -3.188 -1.035 1.00 0.00 C ATOM 217 C SER A 13 66.537 -2.033 -1.553 1.00 0.00 C ATOM 218 O SER A 13 65.359 -1.950 -1.258 1.00 0.00 O ATOM 219 CB SER A 13 67.038 -4.491 -1.747 1.00 0.00 C ATOM 220 OG SER A 13 67.412 -4.398 -3.115 1.00 0.00 O ATOM 0 H SER A 13 66.217 -3.933 0.573 1.00 0.00 H new ATOM 0 HA SER A 13 68.441 -2.917 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.549 -5.330 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.968 -4.681 -1.663 1.00 0.00 H new ATOM 0 HG SER A 13 66.918 -5.065 -3.635 1.00 0.00 H new ATOM 226 N LEU A 14 67.118 -1.147 -2.320 1.00 0.00 N ATOM 227 CA LEU A 14 66.414 0.117 -2.692 1.00 0.00 C ATOM 228 C LEU A 14 66.571 0.384 -4.194 1.00 0.00 C ATOM 229 O LEU A 14 67.672 0.453 -4.704 1.00 0.00 O ATOM 230 CB LEU A 14 67.121 1.195 -1.862 1.00 0.00 C ATOM 231 CG LEU A 14 66.193 2.391 -1.640 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.015 1.982 -0.752 1.00 0.00 C ATOM 233 CD2 LEU A 14 66.974 3.511 -0.948 1.00 0.00 C ATOM 0 H LEU A 14 68.056 -1.246 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 14 65.342 0.085 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.427 0.781 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.028 1.520 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 14 65.816 2.735 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.360 2.839 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.457 1.180 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.389 1.635 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.318 4.366 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.348 3.155 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.813 3.811 -1.575 1.00 0.00 H new ATOM 245 N ILE A 15 65.475 0.532 -4.903 1.00 0.00 N ATOM 246 CA ILE A 15 65.547 0.731 -6.386 1.00 0.00 C ATOM 247 C ILE A 15 65.288 2.207 -6.722 1.00 0.00 C ATOM 248 O ILE A 15 64.229 2.742 -6.425 1.00 0.00 O ATOM 249 CB ILE A 15 64.442 -0.165 -6.973 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.699 -1.629 -6.587 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.436 -0.047 -8.502 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.463 -2.471 -6.915 1.00 0.00 C ATOM 0 H ILE A 15 64.531 0.523 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 15 66.525 0.474 -6.794 1.00 0.00 H new ATOM 0 HB ILE A 15 63.479 0.156 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.566 -2.011 -7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.929 -1.700 -5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.652 -0.683 -8.913 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.249 0.989 -8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.402 -0.362 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.647 -3.510 -6.640 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.607 -2.094 -6.355 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.254 -2.410 -7.983 1.00 0.00 H new ATOM 264 N SER A 16 66.252 2.855 -7.339 1.00 0.00 N ATOM 265 CA SER A 16 66.138 4.322 -7.617 1.00 0.00 C ATOM 266 C SER A 16 65.596 4.589 -9.028 1.00 0.00 C ATOM 267 O SER A 16 65.699 3.754 -9.913 1.00 0.00 O ATOM 268 CB SER A 16 67.568 4.851 -7.498 1.00 0.00 C ATOM 269 OG SER A 16 68.047 4.615 -6.181 1.00 0.00 O ATOM 0 H SER A 16 67.118 2.425 -7.663 1.00 0.00 H new ATOM 0 HA SER A 16 65.446 4.805 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.212 4.358 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.593 5.918 -7.721 1.00 0.00 H new ATOM 0 HG SER A 16 68.907 4.147 -6.225 1.00 0.00 H new ATOM 275 N LYS A 17 65.036 5.766 -9.233 1.00 0.00 N ATOM 276 CA LYS A 17 64.295 6.086 -10.505 1.00 0.00 C ATOM 277 C LYS A 17 65.135 5.819 -11.764 1.00 0.00 C ATOM 278 O LYS A 17 64.601 5.762 -12.859 1.00 0.00 O ATOM 279 CB LYS A 17 63.974 7.582 -10.406 1.00 0.00 C ATOM 280 CG LYS A 17 62.971 7.966 -11.496 1.00 0.00 C ATOM 281 CD LYS A 17 62.701 9.471 -11.435 1.00 0.00 C ATOM 282 CE LYS A 17 61.584 9.829 -12.417 1.00 0.00 C ATOM 283 NZ LYS A 17 62.255 9.933 -13.742 1.00 0.00 N ATOM 0 H LYS A 17 65.062 6.532 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 17 63.410 5.457 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.563 7.812 -9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.887 8.168 -10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.362 7.696 -12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 17 62.041 7.413 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.416 9.759 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.607 10.024 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 17 60.807 9.065 -12.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.104 10.768 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.579 10.291 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 63.061 10.586 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.594 8.994 -14.034 1.00 0.00 H new ATOM 297 N ALA A 18 66.430 5.656 -11.631 1.00 0.00 N ATOM 298 CA ALA A 18 67.282 5.375 -12.828 1.00 0.00 C ATOM 299 C ALA A 18 67.382 3.863 -13.072 1.00 0.00 C ATOM 300 O ALA A 18 68.296 3.399 -13.727 1.00 0.00 O ATOM 301 CB ALA A 18 68.657 5.953 -12.482 1.00 0.00 C ATOM 0 H ALA A 18 66.933 5.706 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 18 66.870 5.815 -13.736 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.342 5.786 -13.314 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.566 7.023 -12.296 1.00 0.00 H new ATOM 0 HB3 ALA A 18 69.044 5.462 -11.589 1.00 0.00 H new ATOM 307 N ASP A 19 66.445 3.091 -12.551 1.00 0.00 N ATOM 308 CA ASP A 19 66.480 1.598 -12.703 1.00 0.00 C ATOM 309 C ASP A 19 67.799 1.046 -12.156 1.00 0.00 C ATOM 310 O ASP A 19 68.352 0.095 -12.678 1.00 0.00 O ATOM 311 CB ASP A 19 66.343 1.315 -14.208 1.00 0.00 C ATOM 312 CG ASP A 19 64.977 1.796 -14.702 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.003 1.578 -14.000 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.928 2.375 -15.775 1.00 0.00 O ATOM 0 H ASP A 19 65.648 3.442 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 19 65.677 1.116 -12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.137 1.821 -14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.454 0.248 -14.399 1.00 0.00 H new ATOM 319 N ILE A 20 68.299 1.647 -11.103 1.00 0.00 N ATOM 320 CA ILE A 20 69.577 1.158 -10.490 1.00 0.00 C ATOM 321 C ILE A 20 69.270 0.454 -9.169 1.00 0.00 C ATOM 322 O ILE A 20 68.330 0.806 -8.481 1.00 0.00 O ATOM 323 CB ILE A 20 70.449 2.397 -10.232 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.580 3.238 -11.513 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.843 1.938 -9.782 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.304 4.553 -11.204 1.00 0.00 C ATOM 0 H ILE A 20 67.879 2.454 -10.641 1.00 0.00 H new ATOM 0 HA ILE A 20 70.088 0.452 -11.145 1.00 0.00 H new ATOM 0 HB ILE A 20 69.983 3.007 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.130 2.679 -12.270 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.592 3.445 -11.925 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.471 2.810 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.755 1.352 -8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.294 1.326 -10.563 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.393 5.143 -12.116 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.737 5.115 -10.462 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.298 4.338 -10.813 1.00 0.00 H new ATOM 338 N ARG A 21 70.056 -0.530 -8.809 1.00 0.00 N ATOM 339 CA ARG A 21 69.823 -1.238 -7.515 1.00 0.00 C ATOM 340 C ARG A 21 70.893 -0.837 -6.493 1.00 0.00 C ATOM 341 O ARG A 21 72.076 -1.046 -6.700 1.00 0.00 O ATOM 342 CB ARG A 21 69.926 -2.726 -7.852 1.00 0.00 C ATOM 343 CG ARG A 21 69.473 -3.555 -6.648 1.00 0.00 C ATOM 344 CD ARG A 21 69.627 -5.045 -6.966 1.00 0.00 C ATOM 345 NE ARG A 21 69.034 -5.757 -5.791 1.00 0.00 N ATOM 346 CZ ARG A 21 69.680 -5.860 -4.645 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.870 -5.329 -4.474 1.00 0.00 N ATOM 348 NH2 ARG A 21 69.122 -6.501 -3.655 1.00 0.00 N ATOM 0 H ARG A 21 70.847 -0.872 -9.355 1.00 0.00 H new ATOM 0 HA ARG A 21 68.857 -0.989 -7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.307 -2.957 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 21 70.953 -2.980 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.066 -3.296 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.434 -3.329 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.109 -5.307 -7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.675 -5.313 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 21 68.107 -6.173 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 21 71.317 -4.822 -5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 21 71.347 -5.424 -3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.197 -6.915 -3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 21 69.611 -6.588 -2.764 1.00 0.00 H new ATOM 362 N TYR A 22 70.472 -0.267 -5.393 1.00 0.00 N ATOM 363 CA TYR A 22 71.414 0.065 -4.285 1.00 0.00 C ATOM 364 C TYR A 22 71.092 -0.811 -3.075 1.00 0.00 C ATOM 365 O TYR A 22 69.966 -1.232 -2.898 1.00 0.00 O ATOM 366 CB TYR A 22 71.138 1.533 -3.953 1.00 0.00 C ATOM 367 CG TYR A 22 71.592 2.509 -5.015 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.900 3.050 -4.963 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.708 2.892 -6.056 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.324 3.972 -5.949 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.135 3.814 -7.045 1.00 0.00 C ATOM 372 CZ TYR A 22 72.443 4.354 -6.990 1.00 0.00 C ATOM 373 OH TYR A 22 72.859 5.254 -7.952 1.00 0.00 O ATOM 0 H TYR A 22 69.500 -0.014 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 22 72.456 -0.102 -4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.068 1.662 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.633 1.780 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.574 2.759 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.710 2.481 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.321 4.385 -5.908 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.463 4.104 -7.839 1.00 0.00 H new ATOM 0 HH TYR A 22 72.133 5.406 -8.593 1.00 0.00 H new ATOM 383 N GLU A 23 72.063 -1.090 -2.245 1.00 0.00 N ATOM 384 CA GLU A 23 71.782 -1.867 -0.999 1.00 0.00 C ATOM 385 C GLU A 23 72.622 -1.317 0.150 1.00 0.00 C ATOM 386 O GLU A 23 73.772 -0.975 -0.034 1.00 0.00 O ATOM 387 CB GLU A 23 72.196 -3.302 -1.328 1.00 0.00 C ATOM 388 CG GLU A 23 71.772 -4.236 -0.191 1.00 0.00 C ATOM 389 CD GLU A 23 72.297 -5.647 -0.460 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.441 -5.767 -0.868 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.545 -6.587 -0.253 1.00 0.00 O ATOM 0 H GLU A 23 73.037 -0.815 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 23 70.738 -1.807 -0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.734 -3.619 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.275 -3.355 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.160 -3.868 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.685 -4.252 -0.106 1.00 0.00 H new ATOM 398 N GLY A 24 72.061 -1.237 1.332 1.00 0.00 N ATOM 399 CA GLY A 24 72.812 -0.622 2.470 1.00 0.00 C ATOM 400 C GLY A 24 72.118 -0.930 3.797 1.00 0.00 C ATOM 401 O GLY A 24 71.025 -1.465 3.829 1.00 0.00 O ATOM 0 H GLY A 24 71.123 -1.568 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.833 -1.004 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.878 0.457 2.329 1.00 0.00 H new ATOM 405 N ARG A 25 72.757 -0.593 4.894 1.00 0.00 N ATOM 406 CA ARG A 25 72.151 -0.854 6.240 1.00 0.00 C ATOM 407 C ARG A 25 71.197 0.280 6.629 1.00 0.00 C ATOM 408 O ARG A 25 71.486 1.442 6.407 1.00 0.00 O ATOM 409 CB ARG A 25 73.337 -0.906 7.209 1.00 0.00 C ATOM 410 CG ARG A 25 74.215 -2.117 6.884 1.00 0.00 C ATOM 411 CD ARG A 25 73.561 -3.386 7.436 1.00 0.00 C ATOM 412 NE ARG A 25 73.799 -3.337 8.912 1.00 0.00 N ATOM 413 CZ ARG A 25 74.979 -3.620 9.434 1.00 0.00 C ATOM 414 NH1 ARG A 25 76.005 -3.944 8.680 1.00 0.00 N ATOM 415 NH2 ARG A 25 75.129 -3.575 10.729 1.00 0.00 N ATOM 0 H ARG A 25 73.674 -0.147 4.915 1.00 0.00 H new ATOM 0 HA ARG A 25 71.569 -1.776 6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.922 0.011 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.978 -0.970 8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 25 74.348 -2.204 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 25 75.206 -1.988 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 25 72.495 -3.411 7.209 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.002 -4.280 6.995 1.00 0.00 H new ATOM 0 HE ARG A 25 73.031 -3.079 9.531 1.00 0.00 H new ATOM 0 HH11 ARG A 25 75.901 -3.982 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 25 76.905 -4.158 9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 25 74.341 -3.324 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 25 76.035 -3.791 11.145 1.00 0.00 H new ATOM 429 N LEU A 26 70.066 -0.049 7.209 1.00 0.00 N ATOM 430 CA LEU A 26 69.130 1.015 7.704 1.00 0.00 C ATOM 431 C LEU A 26 69.762 1.793 8.863 1.00 0.00 C ATOM 432 O LEU A 26 70.035 1.238 9.912 1.00 0.00 O ATOM 433 CB LEU A 26 67.906 0.246 8.216 1.00 0.00 C ATOM 434 CG LEU A 26 66.790 1.232 8.577 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.105 1.732 7.301 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.761 0.530 9.468 1.00 0.00 C ATOM 0 H LEU A 26 69.750 -1.007 7.361 1.00 0.00 H new ATOM 0 HA LEU A 26 68.886 1.736 6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.557 -0.450 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.177 -0.347 9.089 1.00 0.00 H new ATOM 0 HG LEU A 26 67.218 2.081 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.313 2.433 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.837 2.233 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.678 0.886 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.966 1.229 9.726 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.337 -0.320 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.247 0.180 10.379 1.00 0.00 H new ATOM 448 N TYR A 27 69.996 3.070 8.680 1.00 0.00 N ATOM 449 CA TYR A 27 70.583 3.893 9.779 1.00 0.00 C ATOM 450 C TYR A 27 69.492 4.701 10.487 1.00 0.00 C ATOM 451 O TYR A 27 69.391 4.684 11.700 1.00 0.00 O ATOM 452 CB TYR A 27 71.579 4.826 9.092 1.00 0.00 C ATOM 453 CG TYR A 27 72.425 5.613 10.064 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.213 4.935 11.025 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.429 7.028 10.016 1.00 0.00 C ATOM 456 CE1 TYR A 27 74.005 5.671 11.940 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.221 7.765 10.931 1.00 0.00 C ATOM 458 CZ TYR A 27 74.009 7.086 11.893 1.00 0.00 C ATOM 459 OH TYR A 27 74.780 7.804 12.784 1.00 0.00 O ATOM 0 H TYR A 27 69.805 3.577 7.816 1.00 0.00 H new ATOM 0 HA TYR A 27 71.060 3.275 10.540 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.231 4.238 8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.035 5.519 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.210 3.856 11.060 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.829 7.545 9.282 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.606 5.153 12.673 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.224 8.844 10.895 1.00 0.00 H new ATOM 0 HH TYR A 27 74.668 8.763 12.615 1.00 0.00 H new ATOM 469 N THR A 28 68.675 5.403 9.736 1.00 0.00 N ATOM 470 CA THR A 28 67.614 6.256 10.362 1.00 0.00 C ATOM 471 C THR A 28 66.447 6.455 9.389 1.00 0.00 C ATOM 472 O THR A 28 66.610 6.363 8.187 1.00 0.00 O ATOM 473 CB THR A 28 68.291 7.597 10.660 1.00 0.00 C ATOM 474 OG1 THR A 28 69.044 8.010 9.528 1.00 0.00 O ATOM 475 CG2 THR A 28 69.218 7.454 11.868 1.00 0.00 C ATOM 0 H THR A 28 68.698 5.422 8.716 1.00 0.00 H new ATOM 0 HA THR A 28 67.206 5.798 11.263 1.00 0.00 H new ATOM 0 HB THR A 28 67.528 8.343 10.881 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.939 7.614 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.697 8.411 12.075 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.638 7.143 12.737 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.981 6.706 11.654 1.00 0.00 H new ATOM 483 N VAL A 29 65.272 6.727 9.908 1.00 0.00 N ATOM 484 CA VAL A 29 64.080 6.931 9.028 1.00 0.00 C ATOM 485 C VAL A 29 63.191 8.051 9.595 1.00 0.00 C ATOM 486 O VAL A 29 63.085 8.217 10.796 1.00 0.00 O ATOM 487 CB VAL A 29 63.352 5.573 9.017 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.869 5.212 10.428 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.149 5.638 8.067 1.00 0.00 C ATOM 0 H VAL A 29 65.089 6.816 10.907 1.00 0.00 H new ATOM 0 HA VAL A 29 64.350 7.239 8.018 1.00 0.00 H new ATOM 0 HB VAL A 29 64.049 4.807 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.357 4.250 10.402 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.724 5.150 11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.182 5.979 10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.637 4.676 8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.461 6.414 8.404 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.493 5.871 7.059 1.00 0.00 H new ATOM 499 N ASP A 30 62.558 8.816 8.737 1.00 0.00 N ATOM 500 CA ASP A 30 61.643 9.896 9.209 1.00 0.00 C ATOM 501 C ASP A 30 60.281 9.764 8.506 1.00 0.00 C ATOM 502 O ASP A 30 60.140 10.197 7.377 1.00 0.00 O ATOM 503 CB ASP A 30 62.332 11.202 8.808 1.00 0.00 C ATOM 504 CG ASP A 30 61.847 12.334 9.715 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.654 12.585 9.728 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.678 12.930 10.381 1.00 0.00 O ATOM 0 H ASP A 30 62.639 8.735 7.723 1.00 0.00 H new ATOM 0 HA ASP A 30 61.458 9.850 10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.414 11.095 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.112 11.437 7.766 1.00 0.00 H new ATOM 511 N PRO A 31 59.317 9.166 9.188 1.00 0.00 N ATOM 512 CA PRO A 31 57.988 8.910 8.562 1.00 0.00 C ATOM 513 C PRO A 31 57.328 10.221 8.115 1.00 0.00 C ATOM 514 O PRO A 31 56.760 10.304 7.042 1.00 0.00 O ATOM 515 CB PRO A 31 57.170 8.240 9.671 1.00 0.00 C ATOM 516 CG PRO A 31 58.170 7.770 10.679 1.00 0.00 C ATOM 517 CD PRO A 31 59.362 8.678 10.576 1.00 0.00 C ATOM 0 HA PRO A 31 58.064 8.292 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.464 8.941 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.587 7.407 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.748 7.801 11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.456 6.736 10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.302 9.499 11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.290 8.144 10.782 1.00 0.00 H new ATOM 525 N GLN A 32 57.414 11.248 8.922 1.00 0.00 N ATOM 526 CA GLN A 32 56.623 12.489 8.641 1.00 0.00 C ATOM 527 C GLN A 32 57.331 13.341 7.581 1.00 0.00 C ATOM 528 O GLN A 32 56.702 14.110 6.877 1.00 0.00 O ATOM 529 CB GLN A 32 56.531 13.237 9.974 1.00 0.00 C ATOM 530 CG GLN A 32 55.702 12.417 10.965 1.00 0.00 C ATOM 531 CD GLN A 32 55.524 13.211 12.261 1.00 0.00 C ATOM 532 OE1 GLN A 32 54.691 14.093 12.338 1.00 0.00 O ATOM 533 NE2 GLN A 32 56.277 12.934 13.290 1.00 0.00 N ATOM 0 H GLN A 32 57.994 11.283 9.760 1.00 0.00 H new ATOM 0 HA GLN A 32 55.632 12.259 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.530 13.410 10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 32 56.074 14.215 9.823 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.729 12.181 10.534 1.00 0.00 H new ATOM 0 HG3 GLN A 32 56.197 11.468 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 32 56.976 12.194 13.226 1.00 0.00 H new ATOM 0 HE22 GLN A 32 56.167 13.457 14.158 1.00 0.00 H new ATOM 542 N GLU A 33 58.631 13.211 7.461 1.00 0.00 N ATOM 543 CA GLU A 33 59.357 13.909 6.355 1.00 0.00 C ATOM 544 C GLU A 33 59.383 13.051 5.076 1.00 0.00 C ATOM 545 O GLU A 33 59.963 13.447 4.082 1.00 0.00 O ATOM 546 CB GLU A 33 60.780 14.121 6.880 1.00 0.00 C ATOM 547 CG GLU A 33 60.753 15.112 8.049 1.00 0.00 C ATOM 548 CD GLU A 33 62.185 15.435 8.490 1.00 0.00 C ATOM 549 OE1 GLU A 33 63.022 14.548 8.435 1.00 0.00 O ATOM 550 OE2 GLU A 33 62.420 16.568 8.877 1.00 0.00 O ATOM 0 H GLU A 33 59.219 12.653 8.080 1.00 0.00 H new ATOM 0 HA GLU A 33 58.869 14.847 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.204 13.171 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.420 14.500 6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 33 60.240 16.026 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 33 60.193 14.689 8.883 1.00 0.00 H new ATOM 557 N CYS A 34 58.761 11.880 5.085 1.00 0.00 N ATOM 558 CA CYS A 34 58.814 10.960 3.893 1.00 0.00 C ATOM 559 C CYS A 34 60.260 10.762 3.407 1.00 0.00 C ATOM 560 O CYS A 34 60.524 10.722 2.217 1.00 0.00 O ATOM 561 CB CYS A 34 57.971 11.650 2.814 1.00 0.00 C ATOM 562 SG CYS A 34 56.226 11.607 3.293 1.00 0.00 S ATOM 0 H CYS A 34 58.218 11.525 5.872 1.00 0.00 H new ATOM 0 HA CYS A 34 58.436 9.967 4.136 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.299 12.682 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.108 11.150 1.855 1.00 0.00 H new ATOM 0 HG CYS A 34 55.511 12.194 2.380 1.00 0.00 H new ATOM 568 N THR A 35 61.195 10.636 4.320 1.00 0.00 N ATOM 569 CA THR A 35 62.634 10.550 3.917 1.00 0.00 C ATOM 570 C THR A 35 63.342 9.446 4.703 1.00 0.00 C ATOM 571 O THR A 35 62.940 9.097 5.794 1.00 0.00 O ATOM 572 CB THR A 35 63.231 11.918 4.262 1.00 0.00 C ATOM 573 OG1 THR A 35 62.790 12.321 5.551 1.00 0.00 O ATOM 574 CG2 THR A 35 62.790 12.950 3.221 1.00 0.00 C ATOM 0 H THR A 35 61.023 10.589 5.324 1.00 0.00 H new ATOM 0 HA THR A 35 62.748 10.311 2.860 1.00 0.00 H new ATOM 0 HB THR A 35 64.319 11.847 4.260 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.175 13.195 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.216 13.922 3.469 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.137 12.643 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.702 13.021 3.217 1.00 0.00 H new ATOM 582 N ILE A 36 64.395 8.897 4.150 1.00 0.00 N ATOM 583 CA ILE A 36 65.182 7.860 4.887 1.00 0.00 C ATOM 584 C ILE A 36 66.678 8.042 4.608 1.00 0.00 C ATOM 585 O ILE A 36 67.062 8.676 3.645 1.00 0.00 O ATOM 586 CB ILE A 36 64.683 6.502 4.359 1.00 0.00 C ATOM 587 CG1 ILE A 36 64.866 6.417 2.835 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.200 6.332 4.702 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.657 4.974 2.374 1.00 0.00 C ATOM 0 H ILE A 36 64.744 9.122 3.219 1.00 0.00 H new ATOM 0 HA ILE A 36 65.048 7.934 5.966 1.00 0.00 H new ATOM 0 HB ILE A 36 65.265 5.709 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.155 7.076 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 36 65.864 6.757 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.848 5.371 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.070 6.370 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.625 7.134 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.787 4.915 1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.385 4.327 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.650 4.650 2.637 1.00 0.00 H new ATOM 601 N ALA A 37 67.520 7.489 5.445 1.00 0.00 N ATOM 602 CA ALA A 37 68.990 7.556 5.195 1.00 0.00 C ATOM 603 C ALA A 37 69.628 6.198 5.487 1.00 0.00 C ATOM 604 O ALA A 37 69.422 5.621 6.540 1.00 0.00 O ATOM 605 CB ALA A 37 69.521 8.621 6.157 1.00 0.00 C ATOM 0 H ALA A 37 67.250 6.992 6.294 1.00 0.00 H new ATOM 0 HA ALA A 37 69.221 7.805 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.598 8.723 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.038 9.575 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.305 8.324 7.183 1.00 0.00 H new ATOM 611 N LEU A 38 70.399 5.691 4.558 1.00 0.00 N ATOM 612 CA LEU A 38 71.039 4.356 4.746 1.00 0.00 C ATOM 613 C LEU A 38 72.544 4.532 4.938 1.00 0.00 C ATOM 614 O LEU A 38 73.150 5.404 4.344 1.00 0.00 O ATOM 615 CB LEU A 38 70.752 3.586 3.453 1.00 0.00 C ATOM 616 CG LEU A 38 69.243 3.375 3.293 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.949 2.832 1.894 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.753 2.371 4.340 1.00 0.00 C ATOM 0 H LEU A 38 70.613 6.149 3.672 1.00 0.00 H new ATOM 0 HA LEU A 38 70.656 3.830 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.143 4.137 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.262 2.623 3.473 1.00 0.00 H new ATOM 0 HG LEU A 38 68.728 4.326 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.875 2.682 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.297 3.545 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.465 1.882 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.679 2.221 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.269 1.421 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.962 2.755 5.338 1.00 0.00 H new ATOM 630 N SER A 39 73.149 3.712 5.759 1.00 0.00 N ATOM 631 CA SER A 39 74.610 3.856 6.025 1.00 0.00 C ATOM 632 C SER A 39 75.338 2.625 5.497 1.00 0.00 C ATOM 633 O SER A 39 74.766 1.555 5.420 1.00 0.00 O ATOM 634 CB SER A 39 74.735 3.948 7.545 1.00 0.00 C ATOM 635 OG SER A 39 74.297 2.727 8.127 1.00 0.00 O ATOM 0 H SER A 39 72.692 2.948 6.257 1.00 0.00 H new ATOM 0 HA SER A 39 75.045 4.729 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.769 4.147 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.137 4.778 7.921 1.00 0.00 H new ATOM 0 HG SER A 39 74.378 2.782 9.102 1.00 0.00 H new ATOM 641 N SER A 40 76.595 2.769 5.131 1.00 0.00 N ATOM 642 CA SER A 40 77.336 1.665 4.429 1.00 0.00 C ATOM 643 C SER A 40 76.464 1.066 3.312 1.00 0.00 C ATOM 644 O SER A 40 75.770 0.082 3.505 1.00 0.00 O ATOM 645 CB SER A 40 77.673 0.631 5.512 1.00 0.00 C ATOM 646 OG SER A 40 76.515 -0.121 5.854 1.00 0.00 O ATOM 0 H SER A 40 77.144 3.614 5.291 1.00 0.00 H new ATOM 0 HA SER A 40 78.246 2.021 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.457 -0.037 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.062 1.135 6.397 1.00 0.00 H new ATOM 0 HG SER A 40 75.759 0.174 5.305 1.00 0.00 H new ATOM 652 N VAL A 41 76.493 1.678 2.154 1.00 0.00 N ATOM 653 CA VAL A 41 75.656 1.202 1.013 1.00 0.00 C ATOM 654 C VAL A 41 76.500 1.167 -0.272 1.00 0.00 C ATOM 655 O VAL A 41 77.423 1.944 -0.438 1.00 0.00 O ATOM 656 CB VAL A 41 74.499 2.214 0.919 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.040 3.605 0.584 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.503 1.782 -0.167 1.00 0.00 C ATOM 0 H VAL A 41 77.068 2.496 1.950 1.00 0.00 H new ATOM 0 HA VAL A 41 75.276 0.190 1.154 1.00 0.00 H new ATOM 0 HB VAL A 41 73.991 2.246 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.212 4.312 0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.731 3.924 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.563 3.572 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.690 2.506 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.013 1.733 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.099 0.800 0.080 1.00 0.00 H new ATOM 668 N ARG A 42 76.186 0.272 -1.173 1.00 0.00 N ATOM 669 CA ARG A 42 76.941 0.187 -2.461 1.00 0.00 C ATOM 670 C ARG A 42 75.966 0.011 -3.632 1.00 0.00 C ATOM 671 O ARG A 42 74.879 -0.510 -3.465 1.00 0.00 O ATOM 672 CB ARG A 42 77.863 -1.036 -2.317 1.00 0.00 C ATOM 673 CG ARG A 42 77.039 -2.309 -2.069 1.00 0.00 C ATOM 674 CD ARG A 42 77.981 -3.473 -1.744 1.00 0.00 C ATOM 675 NE ARG A 42 78.761 -3.720 -3.000 1.00 0.00 N ATOM 676 CZ ARG A 42 79.882 -4.413 -2.988 1.00 0.00 C ATOM 677 NH1 ARG A 42 80.365 -4.927 -1.879 1.00 0.00 N ATOM 678 NH2 ARG A 42 80.529 -4.597 -4.107 1.00 0.00 N ATOM 0 H ARG A 42 75.433 -0.409 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 42 77.515 1.091 -2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.462 -1.155 -3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.557 -0.879 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.343 -2.150 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.442 -2.546 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.642 -3.223 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 42 77.421 -4.360 -1.449 1.00 0.00 H new ATOM 0 HE ARG A 42 78.417 -3.344 -3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.870 -4.794 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 42 81.235 -5.459 -1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 42 80.166 -4.206 -4.976 1.00 0.00 H new ATOM 0 HH22 ARG A 42 81.398 -5.131 -4.112 1.00 0.00 H new ATOM 692 N SER A 43 76.350 0.443 -4.807 1.00 0.00 N ATOM 693 CA SER A 43 75.481 0.253 -6.007 1.00 0.00 C ATOM 694 C SER A 43 76.062 -0.857 -6.887 1.00 0.00 C ATOM 695 O SER A 43 77.235 -0.844 -7.213 1.00 0.00 O ATOM 696 CB SER A 43 75.507 1.600 -6.733 1.00 0.00 C ATOM 697 OG SER A 43 76.779 1.788 -7.342 1.00 0.00 O ATOM 0 H SER A 43 77.233 0.921 -4.987 1.00 0.00 H new ATOM 0 HA SER A 43 74.463 -0.041 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.722 1.633 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.306 2.408 -6.029 1.00 0.00 H new ATOM 0 HG SER A 43 77.360 1.029 -7.126 1.00 0.00 H new ATOM 703 N PHE A 44 75.252 -1.813 -7.274 1.00 0.00 N ATOM 704 CA PHE A 44 75.807 -3.029 -7.949 1.00 0.00 C ATOM 705 C PHE A 44 76.025 -2.779 -9.443 1.00 0.00 C ATOM 706 O PHE A 44 77.000 -3.235 -10.012 1.00 0.00 O ATOM 707 CB PHE A 44 74.756 -4.121 -7.740 1.00 0.00 C ATOM 708 CG PHE A 44 74.784 -4.727 -6.357 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.742 -5.721 -6.040 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.853 -4.304 -5.378 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.770 -6.290 -4.743 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.880 -4.874 -4.082 1.00 0.00 C ATOM 713 CZ PHE A 44 74.839 -5.867 -3.765 1.00 0.00 C ATOM 0 H PHE A 44 74.239 -1.805 -7.153 1.00 0.00 H new ATOM 0 HA PHE A 44 76.777 -3.306 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.767 -3.702 -7.925 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.911 -4.909 -8.477 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.451 -6.045 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 44 73.122 -3.547 -5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 44 76.502 -7.046 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 44 73.169 -4.552 -3.335 1.00 0.00 H new ATOM 0 HZ PHE A 44 74.860 -6.301 -2.776 1.00 0.00 H new ATOM 723 N GLY A 45 75.133 -2.062 -10.084 1.00 0.00 N ATOM 724 CA GLY A 45 75.321 -1.760 -11.533 1.00 0.00 C ATOM 725 C GLY A 45 74.028 -1.199 -12.122 1.00 0.00 C ATOM 726 O GLY A 45 73.011 -1.126 -11.455 1.00 0.00 O ATOM 0 H GLY A 45 74.287 -1.675 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.130 -1.041 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.611 -2.665 -12.067 1.00 0.00 H new ATOM 730 N THR A 46 74.066 -0.800 -13.368 1.00 0.00 N ATOM 731 CA THR A 46 72.803 -0.456 -14.097 1.00 0.00 C ATOM 732 C THR A 46 72.606 -1.392 -15.307 1.00 0.00 C ATOM 733 O THR A 46 71.656 -1.247 -16.053 1.00 0.00 O ATOM 734 CB THR A 46 72.986 0.992 -14.576 1.00 0.00 C ATOM 735 OG1 THR A 46 74.076 1.057 -15.489 1.00 0.00 O ATOM 736 CG2 THR A 46 73.256 1.917 -13.381 1.00 0.00 C ATOM 0 H THR A 46 74.920 -0.697 -13.916 1.00 0.00 H new ATOM 0 HA THR A 46 71.928 -0.567 -13.457 1.00 0.00 H new ATOM 0 HB THR A 46 72.073 1.319 -15.074 1.00 0.00 H new ATOM 0 HG1 THR A 46 74.824 1.534 -15.072 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.384 2.940 -13.734 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.414 1.874 -12.690 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.162 1.594 -12.869 1.00 0.00 H new ATOM 744 N GLU A 47 73.491 -2.350 -15.496 1.00 0.00 N ATOM 745 CA GLU A 47 73.590 -3.068 -16.810 1.00 0.00 C ATOM 746 C GLU A 47 72.262 -3.724 -17.212 1.00 0.00 C ATOM 747 O GLU A 47 71.937 -3.800 -18.382 1.00 0.00 O ATOM 748 CB GLU A 47 74.667 -4.138 -16.604 1.00 0.00 C ATOM 749 CG GLU A 47 75.039 -4.763 -17.951 1.00 0.00 C ATOM 750 CD GLU A 47 76.035 -5.904 -17.732 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.952 -5.721 -16.948 1.00 0.00 O ATOM 752 OE2 GLU A 47 75.863 -6.940 -18.352 1.00 0.00 O ATOM 0 H GLU A 47 74.154 -2.666 -14.788 1.00 0.00 H new ATOM 0 HA GLU A 47 73.835 -2.373 -17.613 1.00 0.00 H new ATOM 0 HB2 GLU A 47 75.549 -3.695 -16.142 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.303 -4.908 -15.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 74.145 -5.138 -18.448 1.00 0.00 H new ATOM 0 HG3 GLU A 47 75.474 -4.008 -18.606 1.00 0.00 H new ATOM 759 N ASP A 48 71.495 -4.197 -16.259 1.00 0.00 N ATOM 760 CA ASP A 48 70.232 -4.932 -16.608 1.00 0.00 C ATOM 761 C ASP A 48 69.253 -4.000 -17.334 1.00 0.00 C ATOM 762 O ASP A 48 68.854 -4.257 -18.455 1.00 0.00 O ATOM 763 CB ASP A 48 69.641 -5.387 -15.270 1.00 0.00 C ATOM 764 CG ASP A 48 70.567 -6.420 -14.621 1.00 0.00 C ATOM 765 OD1 ASP A 48 71.058 -7.280 -15.334 1.00 0.00 O ATOM 766 OD2 ASP A 48 70.770 -6.332 -13.421 1.00 0.00 O ATOM 0 H ASP A 48 71.685 -4.108 -15.261 1.00 0.00 H new ATOM 0 HA ASP A 48 70.425 -5.773 -17.274 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.514 -4.531 -14.607 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.652 -5.818 -15.426 1.00 0.00 H new ATOM 771 N ARG A 49 68.870 -2.924 -16.697 1.00 0.00 N ATOM 772 CA ARG A 49 67.947 -1.937 -17.342 1.00 0.00 C ATOM 773 C ARG A 49 68.731 -0.797 -18.017 1.00 0.00 C ATOM 774 O ARG A 49 68.151 0.193 -18.424 1.00 0.00 O ATOM 775 CB ARG A 49 67.078 -1.404 -16.202 1.00 0.00 C ATOM 776 CG ARG A 49 66.169 -2.525 -15.691 1.00 0.00 C ATOM 777 CD ARG A 49 65.238 -1.982 -14.602 1.00 0.00 C ATOM 778 NE ARG A 49 64.425 -3.158 -14.151 1.00 0.00 N ATOM 779 CZ ARG A 49 63.308 -3.000 -13.467 1.00 0.00 C ATOM 780 NH1 ARG A 49 62.859 -1.808 -13.145 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.632 -4.055 -13.100 1.00 0.00 N ATOM 0 H ARG A 49 69.159 -2.683 -15.749 1.00 0.00 H new ATOM 0 HA ARG A 49 67.351 -2.397 -18.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 67.707 -1.033 -15.393 1.00 0.00 H new ATOM 0 HB3 ARG A 49 66.477 -0.563 -16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 49 65.582 -2.933 -16.514 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.772 -3.342 -15.293 1.00 0.00 H new ATOM 0 HD2 ARG A 49 65.807 -1.557 -13.775 1.00 0.00 H new ATOM 0 HD3 ARG A 49 64.599 -1.189 -14.991 1.00 0.00 H new ATOM 0 HE ARG A 49 64.742 -4.101 -14.378 1.00 0.00 H new ATOM 0 HH11 ARG A 49 63.377 -0.975 -13.425 1.00 0.00 H new ATOM 0 HH12 ARG A 49 61.992 -1.715 -12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.969 -4.987 -13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 49 61.767 -3.948 -12.571 1.00 0.00 H new ATOM 795 N ASP A 50 70.040 -0.926 -18.137 1.00 0.00 N ATOM 796 CA ASP A 50 70.906 0.231 -18.575 1.00 0.00 C ATOM 797 C ASP A 50 70.374 0.913 -19.845 1.00 0.00 C ATOM 798 O ASP A 50 69.634 0.330 -20.617 1.00 0.00 O ATOM 799 CB ASP A 50 72.301 -0.366 -18.850 1.00 0.00 C ATOM 800 CG ASP A 50 72.229 -1.483 -19.909 1.00 0.00 C ATOM 801 OD1 ASP A 50 71.160 -1.700 -20.461 1.00 0.00 O ATOM 802 OD2 ASP A 50 73.252 -2.101 -20.149 1.00 0.00 O ATOM 0 H ASP A 50 70.549 -1.789 -17.949 1.00 0.00 H new ATOM 0 HA ASP A 50 70.922 0.999 -17.801 1.00 0.00 H new ATOM 0 HB2 ASP A 50 72.975 0.420 -19.191 1.00 0.00 H new ATOM 0 HB3 ASP A 50 72.718 -0.764 -17.925 1.00 0.00 H new ATOM 807 N THR A 51 70.757 2.149 -20.051 1.00 0.00 N ATOM 808 CA THR A 51 70.428 2.854 -21.328 1.00 0.00 C ATOM 809 C THR A 51 71.394 2.407 -22.426 1.00 0.00 C ATOM 810 O THR A 51 72.426 1.823 -22.151 1.00 0.00 O ATOM 811 CB THR A 51 70.606 4.346 -21.029 1.00 0.00 C ATOM 812 OG1 THR A 51 69.903 4.674 -19.839 1.00 0.00 O ATOM 813 CG2 THR A 51 70.057 5.171 -22.194 1.00 0.00 C ATOM 0 H THR A 51 71.289 2.705 -19.382 1.00 0.00 H new ATOM 0 HA THR A 51 69.418 2.635 -21.674 1.00 0.00 H new ATOM 0 HB THR A 51 71.665 4.568 -20.899 1.00 0.00 H new ATOM 0 HG1 THR A 51 70.017 5.628 -19.644 1.00 0.00 H new ATOM 0 HG21 THR A 51 70.184 6.232 -21.980 1.00 0.00 H new ATOM 0 HG22 THR A 51 70.597 4.917 -23.106 1.00 0.00 H new ATOM 0 HG23 THR A 51 68.998 4.952 -22.327 1.00 0.00 H new ATOM 821 N GLN A 52 71.067 2.678 -23.667 1.00 0.00 N ATOM 822 CA GLN A 52 71.965 2.248 -24.790 1.00 0.00 C ATOM 823 C GLN A 52 73.186 3.182 -24.918 1.00 0.00 C ATOM 824 O GLN A 52 73.982 3.038 -25.827 1.00 0.00 O ATOM 825 CB GLN A 52 71.103 2.298 -26.066 1.00 0.00 C ATOM 826 CG GLN A 52 70.539 3.708 -26.291 1.00 0.00 C ATOM 827 CD GLN A 52 70.141 3.872 -27.760 1.00 0.00 C ATOM 828 OE1 GLN A 52 70.808 3.368 -28.642 1.00 0.00 O ATOM 829 NE2 GLN A 52 69.074 4.559 -28.061 1.00 0.00 N ATOM 0 H GLN A 52 70.223 3.175 -23.952 1.00 0.00 H new ATOM 0 HA GLN A 52 72.361 1.248 -24.614 1.00 0.00 H new ATOM 0 HB2 GLN A 52 71.702 2.000 -26.926 1.00 0.00 H new ATOM 0 HB3 GLN A 52 70.284 1.583 -25.985 1.00 0.00 H new ATOM 0 HG2 GLN A 52 69.674 3.872 -25.649 1.00 0.00 H new ATOM 0 HG3 GLN A 52 71.284 4.456 -26.019 1.00 0.00 H new ATOM 0 HE21 GLN A 52 68.514 4.982 -27.321 1.00 0.00 H new ATOM 0 HE22 GLN A 52 68.799 4.673 -29.037 1.00 0.00 H new ATOM 838 N PHE A 53 73.339 4.133 -24.021 1.00 0.00 N ATOM 839 CA PHE A 53 74.628 4.883 -23.926 1.00 0.00 C ATOM 840 C PHE A 53 75.501 4.270 -22.825 1.00 0.00 C ATOM 841 O PHE A 53 75.031 3.493 -22.015 1.00 0.00 O ATOM 842 CB PHE A 53 74.231 6.320 -23.570 1.00 0.00 C ATOM 843 CG PHE A 53 73.992 7.205 -24.776 1.00 0.00 C ATOM 844 CD1 PHE A 53 73.224 6.731 -25.869 1.00 0.00 C ATOM 845 CD2 PHE A 53 74.535 8.513 -24.810 1.00 0.00 C ATOM 846 CE1 PHE A 53 73.002 7.562 -26.994 1.00 0.00 C ATOM 847 CE2 PHE A 53 74.313 9.344 -25.933 1.00 0.00 C ATOM 848 CZ PHE A 53 73.546 8.869 -27.026 1.00 0.00 C ATOM 0 H PHE A 53 72.624 4.419 -23.352 1.00 0.00 H new ATOM 0 HA PHE A 53 75.204 4.846 -24.851 1.00 0.00 H new ATOM 0 HB2 PHE A 53 73.326 6.297 -22.963 1.00 0.00 H new ATOM 0 HB3 PHE A 53 75.016 6.762 -22.956 1.00 0.00 H new ATOM 0 HD1 PHE A 53 72.808 5.735 -25.844 1.00 0.00 H new ATOM 0 HD2 PHE A 53 75.119 8.876 -23.977 1.00 0.00 H new ATOM 0 HE1 PHE A 53 72.418 7.199 -27.827 1.00 0.00 H new ATOM 0 HE2 PHE A 53 74.728 10.341 -25.957 1.00 0.00 H new ATOM 0 HZ PHE A 53 73.376 9.504 -27.883 1.00 0.00 H new ATOM 858 N GLN A 54 76.765 4.616 -22.790 1.00 0.00 N ATOM 859 CA GLN A 54 77.694 3.987 -21.795 1.00 0.00 C ATOM 860 C GLN A 54 77.474 4.586 -20.401 1.00 0.00 C ATOM 861 O GLN A 54 77.380 5.790 -20.244 1.00 0.00 O ATOM 862 CB GLN A 54 79.105 4.307 -22.297 1.00 0.00 C ATOM 863 CG GLN A 54 79.357 3.576 -23.619 1.00 0.00 C ATOM 864 CD GLN A 54 80.801 3.810 -24.064 1.00 0.00 C ATOM 865 OE1 GLN A 54 81.712 3.181 -23.565 1.00 0.00 O ATOM 866 NE2 GLN A 54 81.050 4.695 -24.990 1.00 0.00 N ATOM 0 H GLN A 54 77.195 5.306 -23.406 1.00 0.00 H new ATOM 0 HA GLN A 54 77.527 2.913 -21.709 1.00 0.00 H new ATOM 0 HB2 GLN A 54 79.217 5.382 -22.437 1.00 0.00 H new ATOM 0 HB3 GLN A 54 79.844 4.003 -21.555 1.00 0.00 H new ATOM 0 HG2 GLN A 54 79.171 2.509 -23.498 1.00 0.00 H new ATOM 0 HG3 GLN A 54 78.667 3.935 -24.383 1.00 0.00 H new ATOM 0 HE21 GLN A 54 80.285 5.223 -25.409 1.00 0.00 H new ATOM 0 HE22 GLN A 54 82.010 4.858 -25.295 1.00 0.00 H new ATOM 875 N ILE A 55 77.393 3.749 -19.394 1.00 0.00 N ATOM 876 CA ILE A 55 77.231 4.254 -17.993 1.00 0.00 C ATOM 877 C ILE A 55 78.423 3.797 -17.142 1.00 0.00 C ATOM 878 O ILE A 55 78.884 2.676 -17.261 1.00 0.00 O ATOM 879 CB ILE A 55 75.919 3.632 -17.476 1.00 0.00 C ATOM 880 CG1 ILE A 55 74.749 4.067 -18.370 1.00 0.00 C ATOM 881 CG2 ILE A 55 75.653 4.106 -16.042 1.00 0.00 C ATOM 882 CD1 ILE A 55 73.536 3.169 -18.108 1.00 0.00 C ATOM 0 H ILE A 55 77.432 2.734 -19.483 1.00 0.00 H new ATOM 0 HA ILE A 55 77.196 5.342 -17.946 1.00 0.00 H new ATOM 0 HB ILE A 55 76.011 2.546 -17.495 1.00 0.00 H new ATOM 0 HG12 ILE A 55 74.493 5.107 -18.170 1.00 0.00 H new ATOM 0 HG13 ILE A 55 75.038 4.006 -19.419 1.00 0.00 H new ATOM 0 HG21 ILE A 55 74.725 3.665 -15.679 1.00 0.00 H new ATOM 0 HG22 ILE A 55 76.477 3.798 -15.398 1.00 0.00 H new ATOM 0 HG23 ILE A 55 75.568 5.193 -16.028 1.00 0.00 H new ATOM 0 HD11 ILE A 55 72.708 3.481 -18.744 1.00 0.00 H new ATOM 0 HD12 ILE A 55 73.795 2.134 -18.331 1.00 0.00 H new ATOM 0 HD13 ILE A 55 73.241 3.252 -17.062 1.00 0.00 H new ATOM 894 N ALA A 56 78.921 4.658 -16.287 1.00 0.00 N ATOM 895 CA ALA A 56 80.089 4.288 -15.432 1.00 0.00 C ATOM 896 C ALA A 56 79.610 3.854 -14.034 1.00 0.00 C ATOM 897 O ALA A 56 79.149 4.681 -13.270 1.00 0.00 O ATOM 898 CB ALA A 56 80.924 5.566 -15.335 1.00 0.00 C ATOM 0 H ALA A 56 78.566 5.604 -16.145 1.00 0.00 H new ATOM 0 HA ALA A 56 80.657 3.455 -15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 56 81.805 5.379 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 56 81.236 5.873 -16.333 1.00 0.00 H new ATOM 0 HB3 ALA A 56 80.327 6.357 -14.882 1.00 0.00 H new ATOM 904 N PRO A 57 79.730 2.570 -13.733 1.00 0.00 N ATOM 905 CA PRO A 57 79.333 2.071 -12.389 1.00 0.00 C ATOM 906 C PRO A 57 80.297 2.596 -11.318 1.00 0.00 C ATOM 907 O PRO A 57 81.451 2.866 -11.594 1.00 0.00 O ATOM 908 CB PRO A 57 79.431 0.550 -12.512 1.00 0.00 C ATOM 909 CG PRO A 57 80.357 0.306 -13.659 1.00 0.00 C ATOM 910 CD PRO A 57 80.232 1.481 -14.590 1.00 0.00 C ATOM 0 HA PRO A 57 78.337 2.400 -12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 57 79.816 0.105 -11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 57 78.452 0.106 -12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 57 81.384 0.200 -13.309 1.00 0.00 H new ATOM 0 HG3 PRO A 57 80.098 -0.620 -14.172 1.00 0.00 H new ATOM 0 HD2 PRO A 57 81.192 1.737 -15.039 1.00 0.00 H new ATOM 0 HD3 PRO A 57 79.544 1.269 -15.409 1.00 0.00 H new ATOM 918 N GLN A 58 79.826 2.742 -10.104 1.00 0.00 N ATOM 919 CA GLN A 58 80.709 3.237 -9.002 1.00 0.00 C ATOM 920 C GLN A 58 81.219 2.060 -8.164 1.00 0.00 C ATOM 921 O GLN A 58 80.447 1.241 -7.699 1.00 0.00 O ATOM 922 CB GLN A 58 79.818 4.151 -8.158 1.00 0.00 C ATOM 923 CG GLN A 58 79.439 5.392 -8.969 1.00 0.00 C ATOM 924 CD GLN A 58 80.650 6.321 -9.077 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.570 6.055 -9.825 1.00 0.00 O ATOM 926 NE2 GLN A 58 80.690 7.409 -8.357 1.00 0.00 N ATOM 0 H GLN A 58 78.865 2.539 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 58 81.586 3.761 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 58 78.919 3.616 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.340 4.445 -7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 58 79.101 5.100 -9.963 1.00 0.00 H new ATOM 0 HG3 GLN A 58 78.609 5.913 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.918 7.633 -7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 58 81.493 8.035 -8.423 1.00 0.00 H new ATOM 935 N SER A 59 82.512 1.975 -7.971 1.00 0.00 N ATOM 936 CA SER A 59 83.088 0.851 -7.169 1.00 0.00 C ATOM 937 C SER A 59 83.275 1.276 -5.707 1.00 0.00 C ATOM 938 O SER A 59 83.170 0.467 -4.803 1.00 0.00 O ATOM 939 CB SER A 59 84.441 0.554 -7.817 1.00 0.00 C ATOM 940 OG SER A 59 84.256 -0.350 -8.897 1.00 0.00 O ATOM 0 H SER A 59 83.196 2.638 -8.336 1.00 0.00 H new ATOM 0 HA SER A 59 82.437 -0.023 -7.162 1.00 0.00 H new ATOM 0 HB2 SER A 59 84.896 1.477 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.123 0.126 -7.082 1.00 0.00 H new ATOM 0 HG SER A 59 85.121 -0.541 -9.316 1.00 0.00 H new ATOM 946 N GLN A 60 83.550 2.538 -5.473 1.00 0.00 N ATOM 947 CA GLN A 60 83.777 3.024 -4.070 1.00 0.00 C ATOM 948 C GLN A 60 82.519 2.818 -3.217 1.00 0.00 C ATOM 949 O GLN A 60 81.410 2.825 -3.721 1.00 0.00 O ATOM 950 CB GLN A 60 84.091 4.517 -4.203 1.00 0.00 C ATOM 951 CG GLN A 60 84.581 5.059 -2.857 1.00 0.00 C ATOM 952 CD GLN A 60 84.908 6.549 -2.990 1.00 0.00 C ATOM 953 OE1 GLN A 60 85.355 6.998 -4.028 1.00 0.00 O ATOM 954 NE2 GLN A 60 84.702 7.342 -1.975 1.00 0.00 N ATOM 0 H GLN A 60 83.628 3.255 -6.194 1.00 0.00 H new ATOM 0 HA GLN A 60 84.584 2.479 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.852 4.673 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 60 83.201 5.059 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.817 4.911 -2.094 1.00 0.00 H new ATOM 0 HG3 GLN A 60 85.465 4.510 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 60 84.327 6.968 -1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 60 84.916 8.336 -2.053 1.00 0.00 H new ATOM 963 N ILE A 61 82.689 2.637 -1.929 1.00 0.00 N ATOM 964 CA ILE A 61 81.512 2.434 -1.026 1.00 0.00 C ATOM 965 C ILE A 61 81.127 3.764 -0.370 1.00 0.00 C ATOM 966 O ILE A 61 81.979 4.540 0.021 1.00 0.00 O ATOM 967 CB ILE A 61 81.985 1.422 0.035 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.494 0.126 -0.634 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.827 1.082 0.984 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.408 -0.494 -1.529 1.00 0.00 C ATOM 0 H ILE A 61 83.596 2.621 -1.463 1.00 0.00 H new ATOM 0 HA ILE A 61 80.634 2.072 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 61 82.802 1.873 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.381 0.344 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.792 -0.590 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 61 81.168 0.366 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.485 1.990 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 80.005 0.648 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.791 -1.405 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.532 -0.733 -0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.130 0.216 -2.308 1.00 0.00 H new ATOM 982 N TYR A 62 79.849 4.028 -0.247 1.00 0.00 N ATOM 983 CA TYR A 62 79.397 5.328 0.339 1.00 0.00 C ATOM 984 C TYR A 62 79.067 5.155 1.824 1.00 0.00 C ATOM 985 O TYR A 62 78.161 4.425 2.183 1.00 0.00 O ATOM 986 CB TYR A 62 78.137 5.697 -0.444 1.00 0.00 C ATOM 987 CG TYR A 62 78.383 5.908 -1.919 1.00 0.00 C ATOM 988 CD1 TYR A 62 78.891 7.146 -2.383 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.106 4.867 -2.839 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.121 7.344 -3.766 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.336 5.065 -4.222 1.00 0.00 C ATOM 992 CZ TYR A 62 78.843 6.303 -4.686 1.00 0.00 C ATOM 993 OH TYR A 62 79.068 6.495 -6.034 1.00 0.00 O ATOM 0 H TYR A 62 79.098 3.398 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 62 80.165 6.099 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.396 4.908 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.710 6.606 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.103 7.939 -1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.719 3.923 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.508 8.288 -4.119 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.125 4.271 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 62 78.221 6.703 -6.481 1.00 0.00 H new ATOM 1003 N ASP A 63 79.803 5.819 2.688 1.00 0.00 N ATOM 1004 CA ASP A 63 79.497 5.778 4.160 1.00 0.00 C ATOM 1005 C ASP A 63 78.021 6.100 4.439 1.00 0.00 C ATOM 1006 O ASP A 63 77.393 5.485 5.281 1.00 0.00 O ATOM 1007 CB ASP A 63 80.387 6.861 4.778 1.00 0.00 C ATOM 1008 CG ASP A 63 80.386 6.720 6.301 1.00 0.00 C ATOM 1009 OD1 ASP A 63 80.496 5.600 6.774 1.00 0.00 O ATOM 1010 OD2 ASP A 63 80.274 7.734 6.970 1.00 0.00 O ATOM 0 H ASP A 63 80.608 6.392 2.436 1.00 0.00 H new ATOM 0 HA ASP A 63 79.682 4.787 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 63 81.404 6.772 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.025 7.849 4.494 1.00 0.00 H new ATOM 1015 N TYR A 64 77.470 7.059 3.733 1.00 0.00 N ATOM 1016 CA TYR A 64 76.072 7.509 4.020 1.00 0.00 C ATOM 1017 C TYR A 64 75.431 8.085 2.754 1.00 0.00 C ATOM 1018 O TYR A 64 76.006 8.927 2.089 1.00 0.00 O ATOM 1019 CB TYR A 64 76.226 8.600 5.083 1.00 0.00 C ATOM 1020 CG TYR A 64 74.923 9.041 5.716 1.00 0.00 C ATOM 1021 CD1 TYR A 64 73.937 9.706 4.941 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.693 8.804 7.094 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.728 10.128 5.544 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.482 9.225 7.693 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.501 9.888 6.919 1.00 0.00 C ATOM 1026 OH TYR A 64 71.322 10.301 7.506 1.00 0.00 O ATOM 0 H TYR A 64 77.931 7.551 2.967 1.00 0.00 H new ATOM 0 HA TYR A 64 75.433 6.692 4.356 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.892 8.237 5.866 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.708 9.466 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.109 9.890 3.891 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.443 8.302 7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 64 71.978 10.634 4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.307 9.040 8.742 1.00 0.00 H new ATOM 0 HH TYR A 64 71.326 10.057 8.455 1.00 0.00 H new ATOM 1036 N ILE A 65 74.247 7.634 2.420 1.00 0.00 N ATOM 1037 CA ILE A 65 73.478 8.278 1.304 1.00 0.00 C ATOM 1038 C ILE A 65 72.062 8.631 1.781 1.00 0.00 C ATOM 1039 O ILE A 65 71.344 7.792 2.294 1.00 0.00 O ATOM 1040 CB ILE A 65 73.438 7.243 0.165 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.872 6.942 -0.302 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.626 7.805 -1.015 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.855 5.887 -1.416 1.00 0.00 C ATOM 0 H ILE A 65 73.778 6.848 2.870 1.00 0.00 H new ATOM 0 HA ILE A 65 73.942 9.206 0.969 1.00 0.00 H new ATOM 0 HB ILE A 65 72.969 6.327 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.344 7.856 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.469 6.585 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.599 7.071 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.609 8.021 -0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.094 8.721 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.876 5.682 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.402 4.969 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.275 6.259 -2.261 1.00 0.00 H new ATOM 1055 N LEU A 66 71.668 9.870 1.613 1.00 0.00 N ATOM 1056 CA LEU A 66 70.276 10.284 1.973 1.00 0.00 C ATOM 1057 C LEU A 66 69.358 10.141 0.755 1.00 0.00 C ATOM 1058 O LEU A 66 69.723 10.501 -0.349 1.00 0.00 O ATOM 1059 CB LEU A 66 70.391 11.753 2.388 1.00 0.00 C ATOM 1060 CG LEU A 66 69.062 12.226 2.979 1.00 0.00 C ATOM 1061 CD1 LEU A 66 68.865 11.601 4.362 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.075 13.751 3.108 1.00 0.00 C ATOM 0 H LEU A 66 72.255 10.616 1.240 1.00 0.00 H new ATOM 0 HA LEU A 66 69.853 9.671 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.189 11.873 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.655 12.365 1.526 1.00 0.00 H new ATOM 0 HG LEU A 66 68.246 11.922 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 66 67.918 11.939 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.856 10.515 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.681 11.904 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.128 14.089 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.892 14.054 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.214 14.198 2.124 1.00 0.00 H new ATOM 1074 N PHE A 67 68.171 9.620 0.951 1.00 0.00 N ATOM 1075 CA PHE A 67 67.248 9.386 -0.201 1.00 0.00 C ATOM 1076 C PHE A 67 65.830 9.847 0.148 1.00 0.00 C ATOM 1077 O PHE A 67 65.299 9.511 1.190 1.00 0.00 O ATOM 1078 CB PHE A 67 67.277 7.876 -0.430 1.00 0.00 C ATOM 1079 CG PHE A 67 68.391 7.423 -1.343 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.556 8.027 -2.611 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.263 6.384 -0.933 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.594 7.594 -3.470 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.302 5.953 -1.792 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.468 6.558 -3.060 1.00 0.00 C ATOM 0 H PHE A 67 67.802 9.346 1.862 1.00 0.00 H new ATOM 0 HA PHE A 67 67.551 9.941 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.380 7.373 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.322 7.563 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 67 67.890 8.818 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.135 5.921 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.720 8.054 -4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.968 5.162 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.261 6.230 -3.715 1.00 0.00 H new ATOM 1094 N ARG A 68 65.220 10.619 -0.719 1.00 0.00 N ATOM 1095 CA ARG A 68 63.791 11.009 -0.515 1.00 0.00 C ATOM 1096 C ARG A 68 62.866 9.979 -1.171 1.00 0.00 C ATOM 1097 O ARG A 68 63.224 9.341 -2.144 1.00 0.00 O ATOM 1098 CB ARG A 68 63.641 12.370 -1.201 1.00 0.00 C ATOM 1099 CG ARG A 68 64.499 13.412 -0.475 1.00 0.00 C ATOM 1100 CD ARG A 68 64.311 14.781 -1.138 1.00 0.00 C ATOM 1101 NE ARG A 68 62.909 15.196 -0.802 1.00 0.00 N ATOM 1102 CZ ARG A 68 62.302 16.161 -1.467 1.00 0.00 C ATOM 1103 NH1 ARG A 68 62.894 16.804 -2.447 1.00 0.00 N ATOM 1104 NH2 ARG A 68 61.080 16.485 -1.140 1.00 0.00 N ATOM 0 H ARG A 68 65.653 10.997 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 68 63.526 11.055 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.946 12.297 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.595 12.678 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.216 13.463 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.549 13.121 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 68 65.036 15.503 -0.761 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.455 14.718 -2.217 1.00 0.00 H new ATOM 0 HE ARG A 68 62.415 14.723 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.849 16.562 -2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 68 62.399 17.546 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG A 68 60.608 15.994 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 68 60.597 17.229 -1.644 1.00 0.00 H new ATOM 1118 N GLY A 69 61.673 9.815 -0.646 1.00 0.00 N ATOM 1119 CA GLY A 69 60.699 8.848 -1.251 1.00 0.00 C ATOM 1120 C GLY A 69 60.451 9.180 -2.732 1.00 0.00 C ATOM 1121 O GLY A 69 60.076 8.320 -3.508 1.00 0.00 O ATOM 0 H GLY A 69 61.331 10.310 0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.084 7.832 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.757 8.882 -0.703 1.00 0.00 H new ATOM 1125 N SER A 70 60.657 10.416 -3.127 1.00 0.00 N ATOM 1126 CA SER A 70 60.377 10.815 -4.545 1.00 0.00 C ATOM 1127 C SER A 70 61.488 10.326 -5.485 1.00 0.00 C ATOM 1128 O SER A 70 61.219 9.895 -6.592 1.00 0.00 O ATOM 1129 CB SER A 70 60.326 12.344 -4.532 1.00 0.00 C ATOM 1130 OG SER A 70 61.624 12.854 -4.259 1.00 0.00 O ATOM 0 H SER A 70 61.007 11.165 -2.529 1.00 0.00 H new ATOM 0 HA SER A 70 59.448 10.375 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.971 12.716 -5.493 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.620 12.690 -3.776 1.00 0.00 H new ATOM 0 HG SER A 70 61.596 13.834 -4.252 1.00 0.00 H new ATOM 1136 N ASP A 71 62.728 10.388 -5.058 1.00 0.00 N ATOM 1137 CA ASP A 71 63.859 10.052 -5.988 1.00 0.00 C ATOM 1138 C ASP A 71 64.078 8.534 -6.075 1.00 0.00 C ATOM 1139 O ASP A 71 64.656 8.047 -7.029 1.00 0.00 O ATOM 1140 CB ASP A 71 65.107 10.774 -5.442 1.00 0.00 C ATOM 1141 CG ASP A 71 65.390 10.389 -3.985 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.246 9.228 -3.652 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.755 11.272 -3.226 1.00 0.00 O ATOM 0 H ASP A 71 63.006 10.654 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 71 63.638 10.380 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.971 10.526 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.964 11.852 -5.513 1.00 0.00 H new ATOM 1148 N ILE A 72 63.626 7.784 -5.097 1.00 0.00 N ATOM 1149 CA ILE A 72 63.582 6.293 -5.251 1.00 0.00 C ATOM 1150 C ILE A 72 62.127 5.812 -5.209 1.00 0.00 C ATOM 1151 O ILE A 72 61.317 6.308 -4.448 1.00 0.00 O ATOM 1152 CB ILE A 72 64.425 5.733 -4.090 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.894 6.143 -4.330 1.00 0.00 C ATOM 1154 CG2 ILE A 72 64.309 4.192 -4.026 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.811 5.548 -3.257 1.00 0.00 C ATOM 0 H ILE A 72 63.287 8.138 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 72 63.984 5.951 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 72 64.066 6.134 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.214 5.804 -5.316 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.978 7.230 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.912 3.816 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 72 63.267 3.912 -3.872 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.667 3.761 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.840 5.852 -3.449 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.503 5.908 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.743 4.460 -3.282 1.00 0.00 H new ATOM 1167 N LYS A 73 61.802 4.841 -6.030 1.00 0.00 N ATOM 1168 CA LYS A 73 60.371 4.490 -6.261 1.00 0.00 C ATOM 1169 C LYS A 73 59.983 3.180 -5.560 1.00 0.00 C ATOM 1170 O LYS A 73 58.809 2.886 -5.425 1.00 0.00 O ATOM 1171 CB LYS A 73 60.248 4.336 -7.778 1.00 0.00 C ATOM 1172 CG LYS A 73 58.771 4.242 -8.166 1.00 0.00 C ATOM 1173 CD LYS A 73 58.652 4.026 -9.677 1.00 0.00 C ATOM 1174 CE LYS A 73 57.180 4.092 -10.088 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.187 3.935 -11.569 1.00 0.00 N ATOM 0 H LYS A 73 62.473 4.276 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 73 59.706 5.253 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.713 5.185 -8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.779 3.443 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.296 3.419 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.249 5.154 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.224 4.786 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.074 3.059 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.601 3.302 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.730 5.040 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.211 3.970 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.740 4.705 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 57.615 3.021 -11.819 1.00 0.00 H new ATOM 1189 N ASP A 74 60.937 2.389 -5.110 1.00 0.00 N ATOM 1190 CA ASP A 74 60.558 1.103 -4.436 1.00 0.00 C ATOM 1191 C ASP A 74 61.596 0.694 -3.386 1.00 0.00 C ATOM 1192 O ASP A 74 62.786 0.734 -3.626 1.00 0.00 O ATOM 1193 CB ASP A 74 60.484 0.069 -5.560 1.00 0.00 C ATOM 1194 CG ASP A 74 59.857 -1.222 -5.029 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.640 -1.294 -4.988 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.606 -2.117 -4.671 1.00 0.00 O ATOM 0 H ASP A 74 61.938 2.574 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 74 59.613 1.195 -3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.892 0.459 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.482 -0.133 -5.949 1.00 0.00 H new ATOM 1201 N ILE A 75 61.135 0.300 -2.221 1.00 0.00 N ATOM 1202 CA ILE A 75 62.060 -0.195 -1.153 1.00 0.00 C ATOM 1203 C ILE A 75 61.526 -1.516 -0.571 1.00 0.00 C ATOM 1204 O ILE A 75 60.335 -1.679 -0.381 1.00 0.00 O ATOM 1205 CB ILE A 75 62.082 0.921 -0.089 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.013 0.519 1.063 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.671 1.163 0.465 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.327 1.746 1.921 1.00 0.00 C ATOM 0 H ILE A 75 60.148 0.301 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 75 63.063 -0.402 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 75 62.444 1.837 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.542 -0.252 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 75 63.935 0.094 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.705 1.954 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.008 1.461 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.297 0.246 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 75 63.988 1.459 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.816 2.503 1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.401 2.152 2.329 1.00 0.00 H new ATOM 1220 N ARG A 76 62.401 -2.450 -0.289 1.00 0.00 N ATOM 1221 CA ARG A 76 61.960 -3.748 0.311 1.00 0.00 C ATOM 1222 C ARG A 76 63.037 -4.291 1.257 1.00 0.00 C ATOM 1223 O ARG A 76 64.215 -4.243 0.960 1.00 0.00 O ATOM 1224 CB ARG A 76 61.763 -4.693 -0.876 1.00 0.00 C ATOM 1225 CG ARG A 76 60.574 -4.225 -1.717 1.00 0.00 C ATOM 1226 CD ARG A 76 60.219 -5.305 -2.745 1.00 0.00 C ATOM 1227 NE ARG A 76 59.681 -6.454 -1.946 1.00 0.00 N ATOM 1228 CZ ARG A 76 59.584 -7.664 -2.462 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.945 -7.917 -3.700 1.00 0.00 N ATOM 1230 NH2 ARG A 76 59.113 -8.633 -1.727 1.00 0.00 N ATOM 0 H ARG A 76 63.405 -2.369 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 76 61.048 -3.638 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.665 -4.718 -1.487 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.591 -5.709 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.717 -4.024 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.818 -3.292 -2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.479 -4.941 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 76 61.095 -5.603 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 76 59.384 -6.297 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 76 60.311 -7.168 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 76 59.859 -8.862 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 76 58.825 -8.450 -0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 76 59.033 -9.574 -2.113 1.00 0.00 H new ATOM 1244 N VAL A 77 62.636 -4.807 2.394 1.00 0.00 N ATOM 1245 CA VAL A 77 63.627 -5.382 3.362 1.00 0.00 C ATOM 1246 C VAL A 77 63.889 -6.853 3.019 1.00 0.00 C ATOM 1247 O VAL A 77 63.003 -7.557 2.567 1.00 0.00 O ATOM 1248 CB VAL A 77 62.970 -5.254 4.748 1.00 0.00 C ATOM 1249 CG1 VAL A 77 63.923 -5.781 5.827 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.655 -3.782 5.040 1.00 0.00 C ATOM 0 H VAL A 77 61.663 -4.855 2.695 1.00 0.00 H new ATOM 0 HA VAL A 77 64.587 -4.866 3.329 1.00 0.00 H new ATOM 0 HB VAL A 77 62.049 -5.836 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.452 -5.688 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.150 -6.829 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.846 -5.201 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.190 -3.697 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.578 -3.202 5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.973 -3.399 4.281 1.00 0.00 H new ATOM 1260 N VAL A 78 65.097 -7.321 3.230 1.00 0.00 N ATOM 1261 CA VAL A 78 65.428 -8.741 2.888 1.00 0.00 C ATOM 1262 C VAL A 78 65.238 -9.631 4.124 1.00 0.00 C ATOM 1263 O VAL A 78 65.694 -9.308 5.206 1.00 0.00 O ATOM 1264 CB VAL A 78 66.901 -8.726 2.448 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.333 -10.134 2.028 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.079 -7.776 1.258 1.00 0.00 C ATOM 0 H VAL A 78 65.867 -6.781 3.624 1.00 0.00 H new ATOM 0 HA VAL A 78 64.784 -9.138 2.103 1.00 0.00 H new ATOM 0 HB VAL A 78 67.513 -8.388 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.378 -10.117 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.216 -10.817 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.713 -10.472 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.125 -7.770 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.459 -8.113 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.780 -6.769 1.549 1.00 0.00 H new