USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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= 1.1 K(o=2.3,f=-3.9) USER MOD Set 1.2: A 62 TYR OH : rot -50:sc= 1.25 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 180:sc= 0 USER MOD Single : A 16 SER OG : rot 130:sc= 0.262 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0055 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.185 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -35:sc= 0.35 USER MOD Single : A 35 THR OG1 : rot -85:sc= 0.276 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 3:sc= 1.64 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00469 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0479 K(o=-0.048,f=-1) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 67.551 -1.941 14.232 1.00 0.00 N ATOM 138 CA LEU A 8 68.538 -1.151 13.423 1.00 0.00 C ATOM 139 C LEU A 8 69.547 -2.083 12.744 1.00 0.00 C ATOM 140 O LEU A 8 69.726 -3.217 13.150 1.00 0.00 O ATOM 141 CB LEU A 8 69.258 -0.248 14.432 1.00 0.00 C ATOM 142 CG LEU A 8 68.264 0.746 15.039 1.00 0.00 C ATOM 143 CD1 LEU A 8 68.913 1.455 16.229 1.00 0.00 C ATOM 144 CD2 LEU A 8 67.871 1.784 13.984 1.00 0.00 C ATOM 0 HA LEU A 8 68.046 -0.580 12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.708 -0.853 15.219 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.069 0.289 13.940 1.00 0.00 H new ATOM 0 HG LEU A 8 67.375 0.211 15.373 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.205 2.163 16.661 1.00 0.00 H new ATOM 0 HD12 LEU A 8 69.195 0.719 16.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.802 1.990 15.894 1.00 0.00 H new ATOM 0 HD21 LEU A 8 67.163 2.492 14.416 1.00 0.00 H new ATOM 0 HD22 LEU A 8 68.761 2.318 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 8 67.409 1.282 13.134 1.00 0.00 H new ATOM 156 N GLY A 9 70.205 -1.609 11.712 1.00 0.00 N ATOM 157 CA GLY A 9 71.246 -2.437 11.028 1.00 0.00 C ATOM 158 C GLY A 9 70.622 -3.428 10.031 1.00 0.00 C ATOM 159 O GLY A 9 71.333 -4.156 9.362 1.00 0.00 O ATOM 0 H GLY A 9 70.064 -0.681 11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.943 -1.784 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.822 -2.985 11.773 1.00 0.00 H new ATOM 163 N SER A 10 69.309 -3.468 9.920 1.00 0.00 N ATOM 164 CA SER A 10 68.659 -4.417 8.953 1.00 0.00 C ATOM 165 C SER A 10 69.097 -4.101 7.517 1.00 0.00 C ATOM 166 O SER A 10 69.173 -2.950 7.128 1.00 0.00 O ATOM 167 CB SER A 10 67.154 -4.190 9.109 1.00 0.00 C ATOM 168 OG SER A 10 66.769 -4.508 10.441 1.00 0.00 O ATOM 0 H SER A 10 68.664 -2.887 10.455 1.00 0.00 H new ATOM 0 HA SER A 10 68.938 -5.452 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.905 -3.153 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.605 -4.811 8.401 1.00 0.00 H new ATOM 0 HG SER A 10 65.806 -4.363 10.547 1.00 0.00 H new ATOM 174 N LYS A 11 69.387 -5.113 6.736 1.00 0.00 N ATOM 175 CA LYS A 11 69.817 -4.876 5.321 1.00 0.00 C ATOM 176 C LYS A 11 68.595 -4.659 4.413 1.00 0.00 C ATOM 177 O LYS A 11 67.699 -5.486 4.352 1.00 0.00 O ATOM 178 CB LYS A 11 70.611 -6.132 4.911 1.00 0.00 C ATOM 179 CG LYS A 11 69.704 -7.371 4.871 1.00 0.00 C ATOM 180 CD LYS A 11 70.565 -8.630 4.746 1.00 0.00 C ATOM 181 CE LYS A 11 71.154 -8.710 3.336 1.00 0.00 C ATOM 182 NZ LYS A 11 71.807 -10.047 3.268 1.00 0.00 N ATOM 0 H LYS A 11 69.345 -6.093 7.016 1.00 0.00 H new ATOM 0 HA LYS A 11 70.428 -3.979 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.063 -5.977 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.426 -6.297 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.098 -7.420 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.015 -7.304 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.366 -8.610 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 69.964 -9.516 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.378 -8.611 2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 11 71.873 -7.910 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.235 -10.177 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.546 -10.110 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.097 -10.789 3.430 1.00 0.00 H new ATOM 196 N ILE A 12 68.558 -3.552 3.712 1.00 0.00 N ATOM 197 CA ILE A 12 67.395 -3.261 2.815 1.00 0.00 C ATOM 198 C ILE A 12 67.874 -3.083 1.369 1.00 0.00 C ATOM 199 O ILE A 12 68.951 -2.567 1.121 1.00 0.00 O ATOM 200 CB ILE A 12 66.775 -1.959 3.352 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.321 -2.166 4.803 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.562 -1.572 2.495 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.894 -0.825 5.409 1.00 0.00 C ATOM 0 H ILE A 12 69.284 -2.836 3.722 1.00 0.00 H new ATOM 0 HA ILE A 12 66.669 -4.074 2.809 1.00 0.00 H new ATOM 0 HB ILE A 12 67.520 -1.164 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.491 -2.872 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.132 -2.599 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.125 -0.650 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.879 -1.422 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.819 -2.369 2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.572 -0.977 6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.736 -0.133 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.070 -0.410 4.829 1.00 0.00 H new ATOM 215 N SER A 13 67.073 -3.512 0.424 1.00 0.00 N ATOM 216 CA SER A 13 67.392 -3.290 -1.017 1.00 0.00 C ATOM 217 C SER A 13 66.523 -2.152 -1.560 1.00 0.00 C ATOM 218 O SER A 13 65.341 -2.077 -1.276 1.00 0.00 O ATOM 219 CB SER A 13 67.051 -4.608 -1.709 1.00 0.00 C ATOM 220 OG SER A 13 67.436 -4.533 -3.076 1.00 0.00 O ATOM 0 H SER A 13 66.201 -4.013 0.595 1.00 0.00 H new ATOM 0 HA SER A 13 68.433 -3.012 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.567 -5.434 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.982 -4.808 -1.630 1.00 0.00 H new ATOM 0 HG SER A 13 67.220 -5.378 -3.523 1.00 0.00 H new ATOM 226 N LEU A 14 67.100 -1.272 -2.337 1.00 0.00 N ATOM 227 CA LEU A 14 66.395 -0.011 -2.714 1.00 0.00 C ATOM 228 C LEU A 14 66.517 0.235 -4.224 1.00 0.00 C ATOM 229 O LEU A 14 67.605 0.256 -4.765 1.00 0.00 O ATOM 230 CB LEU A 14 67.131 1.073 -1.924 1.00 0.00 C ATOM 231 CG LEU A 14 66.261 2.325 -1.806 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.067 2.041 -0.891 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.097 3.459 -1.208 1.00 0.00 C ATOM 0 H LEU A 14 68.036 -1.374 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 14 65.328 -0.036 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.383 0.701 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.070 1.320 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 14 65.898 2.610 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.450 2.936 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.474 1.228 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.426 1.757 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.484 4.356 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.454 3.166 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.949 3.664 -1.856 1.00 0.00 H new ATOM 245 N ILE A 15 65.410 0.421 -4.904 1.00 0.00 N ATOM 246 CA ILE A 15 65.454 0.638 -6.385 1.00 0.00 C ATOM 247 C ILE A 15 65.160 2.113 -6.701 1.00 0.00 C ATOM 248 O ILE A 15 64.086 2.616 -6.403 1.00 0.00 O ATOM 249 CB ILE A 15 64.356 -0.273 -6.964 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.647 -1.735 -6.600 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.322 -0.138 -8.492 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.420 -2.595 -6.915 1.00 0.00 C ATOM 0 H ILE A 15 64.476 0.432 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 15 66.430 0.405 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 15 63.394 0.025 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.510 -2.095 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.898 -1.814 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.544 -0.784 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.111 0.897 -8.761 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.288 -0.430 -8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.627 -3.633 -6.656 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.568 -2.240 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.190 -2.525 -7.978 1.00 0.00 H new ATOM 264 N SER A 16 66.113 2.797 -7.297 1.00 0.00 N ATOM 265 CA SER A 16 65.944 4.255 -7.592 1.00 0.00 C ATOM 266 C SER A 16 65.386 4.476 -9.006 1.00 0.00 C ATOM 267 O SER A 16 65.525 3.632 -9.877 1.00 0.00 O ATOM 268 CB SER A 16 67.353 4.839 -7.488 1.00 0.00 C ATOM 269 OG SER A 16 67.840 4.658 -6.165 1.00 0.00 O ATOM 0 H SER A 16 67.006 2.402 -7.593 1.00 0.00 H new ATOM 0 HA SER A 16 65.240 4.725 -6.905 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.016 4.350 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.339 5.899 -7.741 1.00 0.00 H new ATOM 0 HG SER A 16 68.736 4.263 -6.198 1.00 0.00 H new ATOM 275 N LYS A 17 64.778 5.625 -9.232 1.00 0.00 N ATOM 276 CA LYS A 17 64.028 5.889 -10.514 1.00 0.00 C ATOM 277 C LYS A 17 64.886 5.644 -11.768 1.00 0.00 C ATOM 278 O LYS A 17 64.365 5.568 -12.866 1.00 0.00 O ATOM 279 CB LYS A 17 63.633 7.368 -10.439 1.00 0.00 C ATOM 280 CG LYS A 17 62.630 7.690 -11.549 1.00 0.00 C ATOM 281 CD LYS A 17 62.290 9.181 -11.515 1.00 0.00 C ATOM 282 CE LYS A 17 61.171 9.474 -12.517 1.00 0.00 C ATOM 283 NZ LYS A 17 60.559 10.748 -12.046 1.00 0.00 N ATOM 0 H LYS A 17 64.770 6.403 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 17 63.176 5.215 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.196 7.589 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.518 7.996 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.048 7.424 -12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.725 7.097 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.979 9.471 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.173 9.772 -11.758 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.563 9.574 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.438 8.668 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.782 11.016 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.189 10.620 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.279 11.499 -12.043 1.00 0.00 H new ATOM 297 N ALA A 18 66.185 5.521 -11.624 1.00 0.00 N ATOM 298 CA ALA A 18 67.060 5.288 -12.815 1.00 0.00 C ATOM 299 C ALA A 18 67.222 3.784 -13.074 1.00 0.00 C ATOM 300 O ALA A 18 68.156 3.364 -13.731 1.00 0.00 O ATOM 301 CB ALA A 18 68.407 5.912 -12.442 1.00 0.00 C ATOM 0 H ALA A 18 66.676 5.572 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 18 66.642 5.722 -13.723 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.108 5.783 -13.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.273 6.975 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.800 5.423 -11.551 1.00 0.00 H new ATOM 307 N ASP A 19 66.317 2.970 -12.562 1.00 0.00 N ATOM 308 CA ASP A 19 66.461 1.478 -12.656 1.00 0.00 C ATOM 309 C ASP A 19 67.817 1.051 -12.086 1.00 0.00 C ATOM 310 O ASP A 19 68.433 0.110 -12.552 1.00 0.00 O ATOM 311 CB ASP A 19 66.351 1.122 -14.145 1.00 0.00 C ATOM 312 CG ASP A 19 64.957 1.490 -14.658 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.029 0.750 -14.374 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.840 2.507 -15.321 1.00 0.00 O ATOM 0 H ASP A 19 65.476 3.284 -12.078 1.00 0.00 H new ATOM 0 HA ASP A 19 65.692 0.961 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.112 1.656 -14.714 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.534 0.057 -14.289 1.00 0.00 H new ATOM 319 N ILE A 20 68.276 1.751 -11.076 1.00 0.00 N ATOM 320 CA ILE A 20 69.574 1.388 -10.430 1.00 0.00 C ATOM 321 C ILE A 20 69.292 0.658 -9.118 1.00 0.00 C ATOM 322 O ILE A 20 68.372 1.002 -8.401 1.00 0.00 O ATOM 323 CB ILE A 20 70.298 2.717 -10.154 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.453 3.512 -11.458 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.686 2.427 -9.571 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.033 4.899 -11.156 1.00 0.00 C ATOM 0 H ILE A 20 67.805 2.560 -10.671 1.00 0.00 H new ATOM 0 HA ILE A 20 70.179 0.735 -11.059 1.00 0.00 H new ATOM 0 HB ILE A 20 69.712 3.302 -9.445 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.107 2.976 -12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.486 3.612 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.202 3.367 -9.374 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.581 1.869 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.264 1.838 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.141 5.459 -12.085 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.362 5.436 -10.485 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.009 4.790 -10.683 1.00 0.00 H new ATOM 338 N ARG A 21 70.074 -0.341 -8.800 1.00 0.00 N ATOM 339 CA ARG A 21 69.848 -1.088 -7.531 1.00 0.00 C ATOM 340 C ARG A 21 70.904 -0.692 -6.496 1.00 0.00 C ATOM 341 O ARG A 21 72.091 -0.866 -6.706 1.00 0.00 O ATOM 342 CB ARG A 21 69.981 -2.565 -7.907 1.00 0.00 C ATOM 343 CG ARG A 21 69.548 -3.436 -6.725 1.00 0.00 C ATOM 344 CD ARG A 21 69.363 -4.882 -7.196 1.00 0.00 C ATOM 345 NE ARG A 21 70.737 -5.370 -7.539 1.00 0.00 N ATOM 346 CZ ARG A 21 71.000 -6.658 -7.658 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.071 -7.571 -7.487 1.00 0.00 N ATOM 348 NH2 ARG A 21 72.213 -7.034 -7.956 1.00 0.00 N ATOM 0 H ARG A 21 70.857 -0.670 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 21 68.875 -0.873 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.366 -2.786 -8.779 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.012 -2.790 -8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.297 -3.393 -5.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.617 -3.058 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 21 68.913 -5.495 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 21 68.702 -4.931 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 21 71.486 -4.692 -7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 21 69.118 -7.291 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 21 70.303 -8.559 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 21 72.944 -6.336 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 21 72.431 -8.026 -8.051 1.00 0.00 H new ATOM 362 N TYR A 22 70.468 -0.161 -5.384 1.00 0.00 N ATOM 363 CA TYR A 22 71.400 0.159 -4.264 1.00 0.00 C ATOM 364 C TYR A 22 71.071 -0.738 -3.070 1.00 0.00 C ATOM 365 O TYR A 22 69.937 -1.135 -2.889 1.00 0.00 O ATOM 366 CB TYR A 22 71.119 1.620 -3.912 1.00 0.00 C ATOM 367 CG TYR A 22 71.537 2.610 -4.977 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.841 3.160 -4.954 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.623 2.994 -5.991 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.234 4.095 -5.944 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.017 3.929 -6.983 1.00 0.00 C ATOM 372 CZ TYR A 22 72.322 4.479 -6.957 1.00 0.00 C ATOM 373 OH TYR A 22 72.706 5.389 -7.922 1.00 0.00 O ATOM 0 H TYR A 22 69.491 0.068 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 22 72.445 0.001 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.052 1.737 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.636 1.863 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.537 2.867 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.628 2.575 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.229 4.515 -5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.323 4.221 -7.757 1.00 0.00 H new ATOM 0 HH TYR A 22 71.962 5.542 -8.542 1.00 0.00 H new ATOM 383 N GLU A 23 72.045 -1.059 -2.260 1.00 0.00 N ATOM 384 CA GLU A 23 71.761 -1.855 -1.026 1.00 0.00 C ATOM 385 C GLU A 23 72.610 -1.329 0.126 1.00 0.00 C ATOM 386 O GLU A 23 73.763 -0.993 -0.060 1.00 0.00 O ATOM 387 CB GLU A 23 72.163 -3.288 -1.381 1.00 0.00 C ATOM 388 CG GLU A 23 71.731 -4.235 -0.259 1.00 0.00 C ATOM 389 CD GLU A 23 72.247 -5.646 -0.550 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.391 -5.766 -0.960 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.490 -6.583 -0.358 1.00 0.00 O ATOM 0 H GLU A 23 73.023 -0.806 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 23 70.718 -1.794 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.697 -3.585 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.242 -3.348 -1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.121 -3.884 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.644 -4.244 -0.176 1.00 0.00 H new ATOM 398 N GLY A 24 72.058 -1.260 1.311 1.00 0.00 N ATOM 399 CA GLY A 24 72.821 -0.661 2.449 1.00 0.00 C ATOM 400 C GLY A 24 72.113 -0.935 3.777 1.00 0.00 C ATOM 401 O GLY A 24 71.010 -1.451 3.810 1.00 0.00 O ATOM 0 H GLY A 24 71.120 -1.589 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.829 -1.075 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.922 0.414 2.300 1.00 0.00 H new ATOM 405 N ARG A 25 72.752 -0.592 4.872 1.00 0.00 N ATOM 406 CA ARG A 25 72.132 -0.814 6.217 1.00 0.00 C ATOM 407 C ARG A 25 71.215 0.357 6.586 1.00 0.00 C ATOM 408 O ARG A 25 71.561 1.508 6.397 1.00 0.00 O ATOM 409 CB ARG A 25 73.310 -0.891 7.192 1.00 0.00 C ATOM 410 CG ARG A 25 74.132 -2.149 6.905 1.00 0.00 C ATOM 411 CD ARG A 25 75.248 -2.280 7.946 1.00 0.00 C ATOM 412 NE ARG A 25 76.114 -3.404 7.462 1.00 0.00 N ATOM 413 CZ ARG A 25 76.973 -4.005 8.263 1.00 0.00 C ATOM 414 NH1 ARG A 25 77.114 -3.644 9.519 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.703 -4.980 7.796 1.00 0.00 N ATOM 0 H ARG A 25 73.679 -0.167 4.891 1.00 0.00 H new ATOM 0 HA ARG A 25 71.520 -1.716 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.936 -0.004 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.945 -0.909 8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.490 -3.029 6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.559 -2.096 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.817 -1.354 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.841 -2.495 8.934 1.00 0.00 H new ATOM 0 HE ARG A 25 76.037 -3.711 6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.551 -2.882 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.786 -4.126 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.606 -5.269 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.371 -5.453 8.404 1.00 0.00 H new ATOM 429 N LEU A 26 70.049 0.067 7.112 1.00 0.00 N ATOM 430 CA LEU A 26 69.138 1.159 7.591 1.00 0.00 C ATOM 431 C LEU A 26 69.751 1.889 8.791 1.00 0.00 C ATOM 432 O LEU A 26 69.995 1.296 9.825 1.00 0.00 O ATOM 433 CB LEU A 26 67.865 0.431 8.038 1.00 0.00 C ATOM 434 CG LEU A 26 66.767 1.453 8.351 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.159 1.973 7.045 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.676 0.786 9.192 1.00 0.00 C ATOM 0 H LEU A 26 69.687 -0.879 7.231 1.00 0.00 H new ATOM 0 HA LEU A 26 68.957 1.904 6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.530 -0.249 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.072 -0.176 8.920 1.00 0.00 H new ATOM 0 HG LEU A 26 67.197 2.287 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.379 2.700 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.936 2.449 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.730 1.141 6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.894 1.512 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.248 -0.049 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.108 0.419 10.123 1.00 0.00 H new ATOM 448 N TYR A 27 69.999 3.170 8.657 1.00 0.00 N ATOM 449 CA TYR A 27 70.554 3.953 9.802 1.00 0.00 C ATOM 450 C TYR A 27 69.440 4.738 10.501 1.00 0.00 C ATOM 451 O TYR A 27 69.299 4.682 11.709 1.00 0.00 O ATOM 452 CB TYR A 27 71.573 4.906 9.178 1.00 0.00 C ATOM 453 CG TYR A 27 72.381 5.672 10.199 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.054 4.979 11.235 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.464 7.084 10.122 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.810 5.697 12.195 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.219 7.802 11.082 1.00 0.00 C ATOM 458 CZ TYR A 27 73.892 7.109 12.117 1.00 0.00 C ATOM 459 OH TYR A 27 74.627 7.809 13.052 1.00 0.00 O ATOM 0 H TYR A 27 69.840 3.706 7.804 1.00 0.00 H new ATOM 0 HA TYR A 27 71.008 3.310 10.556 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.251 4.336 8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.051 5.613 8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.991 3.902 11.293 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.952 7.613 9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.323 5.168 12.985 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.281 8.879 11.024 1.00 0.00 H new ATOM 0 HH TYR A 27 74.580 8.768 12.854 1.00 0.00 H new ATOM 469 N THR A 28 68.649 5.466 9.747 1.00 0.00 N ATOM 470 CA THR A 28 67.556 6.286 10.363 1.00 0.00 C ATOM 471 C THR A 28 66.425 6.507 9.354 1.00 0.00 C ATOM 472 O THR A 28 66.640 6.486 8.157 1.00 0.00 O ATOM 473 CB THR A 28 68.208 7.623 10.733 1.00 0.00 C ATOM 474 OG1 THR A 28 68.996 8.083 9.643 1.00 0.00 O ATOM 475 CG2 THR A 28 69.092 7.446 11.967 1.00 0.00 C ATOM 0 H THR A 28 68.713 5.528 8.731 1.00 0.00 H new ATOM 0 HA THR A 28 67.119 5.794 11.232 1.00 0.00 H new ATOM 0 HB THR A 28 67.430 8.354 10.954 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.929 7.813 9.777 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.552 8.400 12.225 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.485 7.099 12.803 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.870 6.713 11.755 1.00 0.00 H new ATOM 483 N VAL A 29 65.222 6.717 9.834 1.00 0.00 N ATOM 484 CA VAL A 29 64.059 6.923 8.914 1.00 0.00 C ATOM 485 C VAL A 29 63.111 7.988 9.493 1.00 0.00 C ATOM 486 O VAL A 29 62.938 8.085 10.694 1.00 0.00 O ATOM 487 CB VAL A 29 63.379 5.545 8.811 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.853 5.103 10.184 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.214 5.614 7.816 1.00 0.00 C ATOM 0 H VAL A 29 64.995 6.755 10.828 1.00 0.00 H new ATOM 0 HA VAL A 29 64.358 7.285 7.930 1.00 0.00 H new ATOM 0 HB VAL A 29 64.114 4.819 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.375 4.127 10.094 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.683 5.037 10.888 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.127 5.830 10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.736 4.637 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.486 6.350 8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.590 5.904 6.835 1.00 0.00 H new ATOM 499 N ASP A 30 62.499 8.780 8.643 1.00 0.00 N ATOM 500 CA ASP A 30 61.513 9.794 9.122 1.00 0.00 C ATOM 501 C ASP A 30 60.202 9.646 8.333 1.00 0.00 C ATOM 502 O ASP A 30 60.114 10.118 7.214 1.00 0.00 O ATOM 503 CB ASP A 30 62.167 11.147 8.835 1.00 0.00 C ATOM 504 CG ASP A 30 61.630 12.192 9.814 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.439 12.453 9.777 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.419 12.715 10.584 1.00 0.00 O ATOM 0 H ASP A 30 62.643 8.765 7.633 1.00 0.00 H new ATOM 0 HA ASP A 30 61.270 9.681 10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.250 11.067 8.930 1.00 0.00 H new ATOM 0 HB3 ASP A 30 61.959 11.453 7.810 1.00 0.00 H new ATOM 511 N PRO A 31 59.215 8.995 8.932 1.00 0.00 N ATOM 512 CA PRO A 31 57.951 8.695 8.203 1.00 0.00 C ATOM 513 C PRO A 31 57.242 9.989 7.788 1.00 0.00 C ATOM 514 O PRO A 31 56.760 10.111 6.676 1.00 0.00 O ATOM 515 CB PRO A 31 57.109 7.911 9.214 1.00 0.00 C ATOM 516 CG PRO A 31 57.723 8.187 10.549 1.00 0.00 C ATOM 517 CD PRO A 31 59.178 8.487 10.313 1.00 0.00 C ATOM 0 HA PRO A 31 58.123 8.136 7.283 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.067 8.231 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.121 6.844 8.990 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.230 9.030 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.609 7.328 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.553 9.226 11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.794 7.595 10.427 1.00 0.00 H new ATOM 525 N GLN A 32 57.189 10.961 8.662 1.00 0.00 N ATOM 526 CA GLN A 32 56.367 12.180 8.379 1.00 0.00 C ATOM 527 C GLN A 32 57.136 13.125 7.449 1.00 0.00 C ATOM 528 O GLN A 32 56.543 13.889 6.709 1.00 0.00 O ATOM 529 CB GLN A 32 56.106 12.836 9.738 1.00 0.00 C ATOM 530 CG GLN A 32 55.230 11.917 10.591 1.00 0.00 C ATOM 531 CD GLN A 32 54.888 12.615 11.909 1.00 0.00 C ATOM 532 OE1 GLN A 32 54.016 13.460 11.954 1.00 0.00 O ATOM 533 NE2 GLN A 32 55.543 12.296 12.991 1.00 0.00 N ATOM 0 H GLN A 32 57.677 10.965 9.558 1.00 0.00 H new ATOM 0 HA GLN A 32 55.430 11.934 7.879 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.050 13.030 10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.614 13.799 9.600 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.316 11.666 10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.751 10.980 10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 32 56.275 11.587 12.954 1.00 0.00 H new ATOM 0 HE22 GLN A 32 55.323 12.756 13.875 1.00 0.00 H new ATOM 542 N GLU A 33 58.445 13.080 7.484 1.00 0.00 N ATOM 543 CA GLU A 33 59.253 13.860 6.494 1.00 0.00 C ATOM 544 C GLU A 33 59.524 13.036 5.221 1.00 0.00 C ATOM 545 O GLU A 33 60.351 13.416 4.419 1.00 0.00 O ATOM 546 CB GLU A 33 60.570 14.173 7.212 1.00 0.00 C ATOM 547 CG GLU A 33 60.307 15.114 8.395 1.00 0.00 C ATOM 548 CD GLU A 33 59.899 16.496 7.878 1.00 0.00 C ATOM 549 OE1 GLU A 33 60.501 16.952 6.919 1.00 0.00 O ATOM 550 OE2 GLU A 33 58.992 17.076 8.452 1.00 0.00 O ATOM 0 H GLU A 33 58.989 12.537 8.155 1.00 0.00 H new ATOM 0 HA GLU A 33 58.729 14.760 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.030 13.250 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.272 14.634 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.519 14.706 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.202 15.196 9.012 1.00 0.00 H new ATOM 557 N CYS A 34 58.846 11.909 5.045 1.00 0.00 N ATOM 558 CA CYS A 34 58.932 11.113 3.768 1.00 0.00 C ATOM 559 C CYS A 34 60.391 10.908 3.311 1.00 0.00 C ATOM 560 O CYS A 34 60.677 10.863 2.127 1.00 0.00 O ATOM 561 CB CYS A 34 58.064 11.866 2.727 1.00 0.00 C ATOM 562 SG CYS A 34 58.931 13.273 1.964 1.00 0.00 S ATOM 0 H CYS A 34 58.227 11.505 5.748 1.00 0.00 H new ATOM 0 HA CYS A 34 58.554 10.100 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 34 57.756 11.170 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 34 57.156 12.225 3.211 1.00 0.00 H new ATOM 0 HG CYS A 34 59.709 13.831 2.843 1.00 0.00 H new ATOM 568 N THR A 35 61.307 10.782 4.242 1.00 0.00 N ATOM 569 CA THR A 35 62.754 10.719 3.869 1.00 0.00 C ATOM 570 C THR A 35 63.464 9.626 4.668 1.00 0.00 C ATOM 571 O THR A 35 63.039 9.264 5.747 1.00 0.00 O ATOM 572 CB THR A 35 63.325 12.095 4.224 1.00 0.00 C ATOM 573 OG1 THR A 35 62.841 12.500 5.497 1.00 0.00 O ATOM 574 CG2 THR A 35 62.902 13.116 3.164 1.00 0.00 C ATOM 0 H THR A 35 61.114 10.720 5.242 1.00 0.00 H new ATOM 0 HA THR A 35 62.891 10.482 2.814 1.00 0.00 H new ATOM 0 HB THR A 35 64.413 12.036 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 35 61.969 12.935 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.309 14.095 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.281 12.807 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.814 13.174 3.128 1.00 0.00 H new ATOM 582 N ILE A 36 64.541 9.100 4.141 1.00 0.00 N ATOM 583 CA ILE A 36 65.317 8.060 4.884 1.00 0.00 C ATOM 584 C ILE A 36 66.819 8.255 4.651 1.00 0.00 C ATOM 585 O ILE A 36 67.226 8.923 3.718 1.00 0.00 O ATOM 586 CB ILE A 36 64.844 6.706 4.324 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.071 6.644 2.805 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.353 6.519 4.621 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.888 5.204 2.317 1.00 0.00 C ATOM 0 H ILE A 36 64.917 9.347 3.226 1.00 0.00 H new ATOM 0 HA ILE A 36 65.153 8.120 5.960 1.00 0.00 H new ATOM 0 HB ILE A 36 65.418 5.912 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.369 7.304 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.073 6.996 2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 36 63.020 5.560 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.191 6.541 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.785 7.323 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.049 5.162 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.608 4.556 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.877 4.868 2.546 1.00 0.00 H new ATOM 601 N ALA A 37 67.639 7.677 5.492 1.00 0.00 N ATOM 602 CA ALA A 37 69.115 7.739 5.274 1.00 0.00 C ATOM 603 C ALA A 37 69.735 6.369 5.547 1.00 0.00 C ATOM 604 O ALA A 37 69.518 5.779 6.592 1.00 0.00 O ATOM 605 CB ALA A 37 69.634 8.777 6.273 1.00 0.00 C ATOM 0 H ALA A 37 67.348 7.163 6.323 1.00 0.00 H new ATOM 0 HA ALA A 37 69.371 8.012 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.715 8.874 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.162 9.740 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.395 8.457 7.287 1.00 0.00 H new ATOM 611 N LEU A 38 70.501 5.866 4.613 1.00 0.00 N ATOM 612 CA LEU A 38 71.109 4.512 4.773 1.00 0.00 C ATOM 613 C LEU A 38 72.615 4.646 4.979 1.00 0.00 C ATOM 614 O LEU A 38 73.236 5.553 4.456 1.00 0.00 O ATOM 615 CB LEU A 38 70.813 3.778 3.461 1.00 0.00 C ATOM 616 CG LEU A 38 69.300 3.615 3.279 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.011 3.087 1.872 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.761 2.622 4.313 1.00 0.00 C ATOM 0 H LEU A 38 70.733 6.340 3.740 1.00 0.00 H new ATOM 0 HA LEU A 38 70.708 3.976 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.230 4.334 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.294 2.800 3.466 1.00 0.00 H new ATOM 0 HG LEU A 38 68.814 4.581 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.935 2.970 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.392 3.792 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.499 2.122 1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.685 2.508 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.248 1.656 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.966 2.994 5.317 1.00 0.00 H new ATOM 630 N SER A 39 73.206 3.754 5.732 1.00 0.00 N ATOM 631 CA SER A 39 74.670 3.849 6.006 1.00 0.00 C ATOM 632 C SER A 39 75.361 2.595 5.480 1.00 0.00 C ATOM 633 O SER A 39 74.753 1.546 5.394 1.00 0.00 O ATOM 634 CB SER A 39 74.789 3.936 7.527 1.00 0.00 C ATOM 635 OG SER A 39 74.324 2.723 8.104 1.00 0.00 O ATOM 0 H SER A 39 72.736 2.962 6.170 1.00 0.00 H new ATOM 0 HA SER A 39 75.136 4.707 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.826 4.114 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.206 4.777 7.902 1.00 0.00 H new ATOM 0 HG SER A 39 74.400 2.774 9.080 1.00 0.00 H new ATOM 641 N SER A 40 76.625 2.699 5.127 1.00 0.00 N ATOM 642 CA SER A 40 77.341 1.567 4.442 1.00 0.00 C ATOM 643 C SER A 40 76.467 0.987 3.316 1.00 0.00 C ATOM 644 O SER A 40 75.750 0.019 3.501 1.00 0.00 O ATOM 645 CB SER A 40 77.629 0.530 5.536 1.00 0.00 C ATOM 646 OG SER A 40 76.443 -0.181 5.868 1.00 0.00 O ATOM 0 H SER A 40 77.197 3.528 5.286 1.00 0.00 H new ATOM 0 HA SER A 40 78.268 1.892 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.395 -0.166 5.194 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.023 1.027 6.422 1.00 0.00 H new ATOM 0 HG SER A 40 75.709 0.119 5.292 1.00 0.00 H new ATOM 652 N VAL A 41 76.523 1.599 2.159 1.00 0.00 N ATOM 653 CA VAL A 41 75.686 1.142 1.009 1.00 0.00 C ATOM 654 C VAL A 41 76.544 1.087 -0.266 1.00 0.00 C ATOM 655 O VAL A 41 77.500 1.828 -0.411 1.00 0.00 O ATOM 656 CB VAL A 41 74.555 2.183 0.903 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.134 3.557 0.560 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.554 1.769 -0.185 1.00 0.00 C ATOM 0 H VAL A 41 77.119 2.403 1.961 1.00 0.00 H new ATOM 0 HA VAL A 41 75.279 0.140 1.145 1.00 0.00 H new ATOM 0 HB VAL A 41 74.043 2.235 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.326 4.285 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.830 3.864 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.660 3.503 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.760 2.512 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.067 1.701 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.124 0.799 0.066 1.00 0.00 H new ATOM 668 N ARG A 42 76.205 0.218 -1.182 1.00 0.00 N ATOM 669 CA ARG A 42 76.959 0.133 -2.471 1.00 0.00 C ATOM 670 C ARG A 42 75.978 0.009 -3.644 1.00 0.00 C ATOM 671 O ARG A 42 74.875 -0.481 -3.484 1.00 0.00 O ATOM 672 CB ARG A 42 77.842 -1.120 -2.348 1.00 0.00 C ATOM 673 CG ARG A 42 76.979 -2.373 -2.144 1.00 0.00 C ATOM 674 CD ARG A 42 77.882 -3.569 -1.824 1.00 0.00 C ATOM 675 NE ARG A 42 76.967 -4.756 -1.776 1.00 0.00 N ATOM 676 CZ ARG A 42 77.434 -5.987 -1.856 1.00 0.00 C ATOM 677 NH1 ARG A 42 78.720 -6.231 -1.972 1.00 0.00 N ATOM 678 NH2 ARG A 42 76.599 -6.989 -1.814 1.00 0.00 N ATOM 0 H ARG A 42 75.432 -0.442 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 42 77.562 1.021 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.449 -1.233 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.530 -1.006 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.270 -2.211 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.394 -2.575 -3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.651 -3.696 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.396 -3.430 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 42 75.962 -4.608 -1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.385 -5.458 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 42 79.053 -7.193 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 42 75.598 -6.815 -1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 42 76.947 -7.946 -1.875 1.00 0.00 H new ATOM 692 N SER A 43 76.373 0.450 -4.814 1.00 0.00 N ATOM 693 CA SER A 43 75.481 0.335 -6.008 1.00 0.00 C ATOM 694 C SER A 43 76.015 -0.747 -6.951 1.00 0.00 C ATOM 695 O SER A 43 77.209 -0.858 -7.162 1.00 0.00 O ATOM 696 CB SER A 43 75.531 1.711 -6.675 1.00 0.00 C ATOM 697 OG SER A 43 76.827 1.922 -7.220 1.00 0.00 O ATOM 0 H SER A 43 77.278 0.886 -4.993 1.00 0.00 H new ATOM 0 HA SER A 43 74.461 0.054 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.779 1.774 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.299 2.489 -5.948 1.00 0.00 H new ATOM 0 HG SER A 43 76.862 2.802 -7.650 1.00 0.00 H new ATOM 703 N PHE A 44 75.139 -1.544 -7.517 1.00 0.00 N ATOM 704 CA PHE A 44 75.602 -2.704 -8.341 1.00 0.00 C ATOM 705 C PHE A 44 75.949 -2.260 -9.765 1.00 0.00 C ATOM 706 O PHE A 44 76.903 -2.740 -10.350 1.00 0.00 O ATOM 707 CB PHE A 44 74.427 -3.684 -8.356 1.00 0.00 C ATOM 708 CG PHE A 44 74.233 -4.410 -7.045 1.00 0.00 C ATOM 709 CD1 PHE A 44 74.983 -5.579 -6.766 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.303 -3.923 -6.095 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.802 -6.261 -5.538 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.122 -4.604 -4.867 1.00 0.00 C ATOM 713 CZ PHE A 44 73.871 -5.773 -4.588 1.00 0.00 C ATOM 0 H PHE A 44 74.127 -1.441 -7.444 1.00 0.00 H new ATOM 0 HA PHE A 44 76.505 -3.155 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.514 -3.141 -8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.584 -4.416 -9.148 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.693 -5.950 -7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.731 -3.032 -6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.373 -7.153 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.412 -4.232 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.733 -6.292 -3.651 1.00 0.00 H new ATOM 723 N GLY A 45 75.187 -1.351 -10.329 1.00 0.00 N ATOM 724 CA GLY A 45 75.527 -0.828 -11.684 1.00 0.00 C ATOM 725 C GLY A 45 74.355 -0.028 -12.257 1.00 0.00 C ATOM 726 O GLY A 45 73.263 -0.029 -11.720 1.00 0.00 O ATOM 0 H GLY A 45 74.348 -0.952 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.413 -0.196 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.770 -1.656 -12.350 1.00 0.00 H new ATOM 730 N THR A 46 74.589 0.657 -13.350 1.00 0.00 N ATOM 731 CA THR A 46 73.484 1.369 -14.070 1.00 0.00 C ATOM 732 C THR A 46 73.307 0.810 -15.494 1.00 0.00 C ATOM 733 O THR A 46 72.538 1.340 -16.275 1.00 0.00 O ATOM 734 CB THR A 46 73.906 2.845 -14.125 1.00 0.00 C ATOM 735 OG1 THR A 46 75.319 2.942 -14.267 1.00 0.00 O ATOM 736 CG2 THR A 46 73.468 3.561 -12.842 1.00 0.00 C ATOM 0 H THR A 46 75.509 0.755 -13.780 1.00 0.00 H new ATOM 0 HA THR A 46 72.530 1.238 -13.559 1.00 0.00 H new ATOM 0 HB THR A 46 73.426 3.317 -14.982 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.580 3.886 -14.303 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.770 4.607 -12.888 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.384 3.501 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 46 73.938 3.085 -11.981 1.00 0.00 H new ATOM 744 N GLU A 47 74.013 -0.255 -15.831 1.00 0.00 N ATOM 745 CA GLU A 47 74.119 -0.713 -17.261 1.00 0.00 C ATOM 746 C GLU A 47 72.747 -0.801 -17.955 1.00 0.00 C ATOM 747 O GLU A 47 72.657 -0.690 -19.164 1.00 0.00 O ATOM 748 CB GLU A 47 74.758 -2.104 -17.186 1.00 0.00 C ATOM 749 CG GLU A 47 75.157 -2.564 -18.590 1.00 0.00 C ATOM 750 CD GLU A 47 75.676 -4.004 -18.532 1.00 0.00 C ATOM 751 OE1 GLU A 47 75.066 -4.807 -17.844 1.00 0.00 O ATOM 752 OE2 GLU A 47 76.675 -4.278 -19.175 1.00 0.00 O ATOM 0 H GLU A 47 74.526 -0.832 -15.165 1.00 0.00 H new ATOM 0 HA GLU A 47 74.703 -0.005 -17.849 1.00 0.00 H new ATOM 0 HB2 GLU A 47 75.634 -2.078 -16.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.057 -2.813 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 47 74.300 -2.503 -19.261 1.00 0.00 H new ATOM 0 HG3 GLU A 47 75.926 -1.906 -18.994 1.00 0.00 H new ATOM 759 N ASP A 48 71.687 -1.001 -17.209 1.00 0.00 N ATOM 760 CA ASP A 48 70.332 -1.116 -17.845 1.00 0.00 C ATOM 761 C ASP A 48 69.933 0.211 -18.508 1.00 0.00 C ATOM 762 O ASP A 48 69.690 0.267 -19.698 1.00 0.00 O ATOM 763 CB ASP A 48 69.369 -1.450 -16.700 1.00 0.00 C ATOM 764 CG ASP A 48 69.695 -2.837 -16.140 1.00 0.00 C ATOM 765 OD1 ASP A 48 69.950 -3.730 -16.930 1.00 0.00 O ATOM 766 OD2 ASP A 48 69.685 -2.981 -14.928 1.00 0.00 O ATOM 0 H ASP A 48 71.699 -1.089 -16.193 1.00 0.00 H new ATOM 0 HA ASP A 48 70.317 -1.878 -18.624 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.451 -0.701 -15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.340 -1.424 -17.058 1.00 0.00 H new ATOM 771 N ARG A 49 69.866 1.273 -17.741 1.00 0.00 N ATOM 772 CA ARG A 49 69.546 2.616 -18.325 1.00 0.00 C ATOM 773 C ARG A 49 70.826 3.402 -18.655 1.00 0.00 C ATOM 774 O ARG A 49 70.769 4.579 -18.963 1.00 0.00 O ATOM 775 CB ARG A 49 68.741 3.340 -17.244 1.00 0.00 C ATOM 776 CG ARG A 49 67.384 2.654 -17.065 1.00 0.00 C ATOM 777 CD ARG A 49 66.503 2.926 -18.289 1.00 0.00 C ATOM 778 NE ARG A 49 65.172 2.331 -17.951 1.00 0.00 N ATOM 779 CZ ARG A 49 64.964 1.029 -18.000 1.00 0.00 C ATOM 780 NH1 ARG A 49 65.919 0.189 -18.331 1.00 0.00 N ATOM 781 NH2 ARG A 49 63.781 0.563 -17.706 1.00 0.00 N ATOM 0 H ARG A 49 70.020 1.268 -16.733 1.00 0.00 H new ATOM 0 HA ARG A 49 68.995 2.522 -19.261 1.00 0.00 H new ATOM 0 HB2 ARG A 49 69.290 3.333 -16.302 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.598 4.384 -17.522 1.00 0.00 H new ATOM 0 HG2 ARG A 49 67.522 1.581 -16.936 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.895 3.023 -16.164 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.419 3.995 -18.484 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.922 2.470 -19.186 1.00 0.00 H new ATOM 0 HE ARG A 49 64.407 2.947 -17.676 1.00 0.00 H new ATOM 0 HH11 ARG A 49 66.850 0.539 -18.558 1.00 0.00 H new ATOM 0 HH12 ARG A 49 65.729 -0.813 -18.361 1.00 0.00 H new ATOM 0 HH21 ARG A 49 63.032 1.203 -17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 49 63.606 -0.441 -17.740 1.00 0.00 H new ATOM 795 N ASP A 50 71.976 2.768 -18.596 1.00 0.00 N ATOM 796 CA ASP A 50 73.270 3.527 -18.685 1.00 0.00 C ATOM 797 C ASP A 50 73.385 4.291 -20.013 1.00 0.00 C ATOM 798 O ASP A 50 72.558 4.156 -20.896 1.00 0.00 O ATOM 799 CB ASP A 50 74.379 2.464 -18.579 1.00 0.00 C ATOM 800 CG ASP A 50 74.323 1.484 -19.766 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.299 1.429 -20.431 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.311 0.803 -19.986 1.00 0.00 O ATOM 0 H ASP A 50 72.075 1.758 -18.490 1.00 0.00 H new ATOM 0 HA ASP A 50 73.341 4.275 -17.896 1.00 0.00 H new ATOM 0 HB2 ASP A 50 75.353 2.952 -18.552 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.272 1.914 -17.644 1.00 0.00 H new ATOM 807 N THR A 51 74.413 5.092 -20.141 1.00 0.00 N ATOM 808 CA THR A 51 74.702 5.770 -21.442 1.00 0.00 C ATOM 809 C THR A 51 75.384 4.788 -22.395 1.00 0.00 C ATOM 810 O THR A 51 75.867 3.749 -21.981 1.00 0.00 O ATOM 811 CB THR A 51 75.643 6.928 -21.099 1.00 0.00 C ATOM 812 OG1 THR A 51 75.096 7.679 -20.025 1.00 0.00 O ATOM 813 CG2 THR A 51 75.812 7.832 -22.322 1.00 0.00 C ATOM 0 H THR A 51 75.071 5.307 -19.392 1.00 0.00 H new ATOM 0 HA THR A 51 73.796 6.124 -21.934 1.00 0.00 H new ATOM 0 HB THR A 51 76.615 6.531 -20.807 1.00 0.00 H new ATOM 0 HG1 THR A 51 75.698 8.420 -19.803 1.00 0.00 H new ATOM 0 HG21 THR A 51 76.482 8.656 -22.076 1.00 0.00 H new ATOM 0 HG22 THR A 51 76.233 7.255 -23.145 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.841 8.230 -22.617 1.00 0.00 H new ATOM 821 N GLN A 52 75.427 5.107 -23.666 1.00 0.00 N ATOM 822 CA GLN A 52 76.058 4.174 -24.655 1.00 0.00 C ATOM 823 C GLN A 52 77.599 4.249 -24.593 1.00 0.00 C ATOM 824 O GLN A 52 78.282 3.606 -25.368 1.00 0.00 O ATOM 825 CB GLN A 52 75.539 4.620 -26.033 1.00 0.00 C ATOM 826 CG GLN A 52 76.045 6.027 -26.381 1.00 0.00 C ATOM 827 CD GLN A 52 75.212 6.600 -27.528 1.00 0.00 C ATOM 828 OE1 GLN A 52 74.007 6.443 -27.556 1.00 0.00 O ATOM 829 NE2 GLN A 52 75.805 7.262 -28.483 1.00 0.00 N ATOM 0 H GLN A 52 75.054 5.970 -24.062 1.00 0.00 H new ATOM 0 HA GLN A 52 75.799 3.136 -24.444 1.00 0.00 H new ATOM 0 HB2 GLN A 52 75.866 3.913 -26.795 1.00 0.00 H new ATOM 0 HB3 GLN A 52 74.449 4.610 -26.036 1.00 0.00 H new ATOM 0 HG2 GLN A 52 75.976 6.676 -25.508 1.00 0.00 H new ATOM 0 HG3 GLN A 52 77.096 5.987 -26.666 1.00 0.00 H new ATOM 0 HE21 GLN A 52 76.816 7.394 -28.460 1.00 0.00 H new ATOM 0 HE22 GLN A 52 75.257 7.647 -29.252 1.00 0.00 H new ATOM 838 N PHE A 53 78.147 5.026 -23.683 1.00 0.00 N ATOM 839 CA PHE A 53 79.619 4.976 -23.432 1.00 0.00 C ATOM 840 C PHE A 53 79.897 4.172 -22.158 1.00 0.00 C ATOM 841 O PHE A 53 79.054 4.070 -21.285 1.00 0.00 O ATOM 842 CB PHE A 53 80.041 6.435 -23.256 1.00 0.00 C ATOM 843 CG PHE A 53 80.208 7.176 -24.562 1.00 0.00 C ATOM 844 CD1 PHE A 53 79.116 7.294 -25.458 1.00 0.00 C ATOM 845 CD2 PHE A 53 81.458 7.754 -24.891 1.00 0.00 C ATOM 846 CE1 PHE A 53 79.276 7.990 -26.681 1.00 0.00 C ATOM 847 CE2 PHE A 53 81.618 8.449 -26.114 1.00 0.00 C ATOM 848 CZ PHE A 53 80.527 8.567 -27.009 1.00 0.00 C ATOM 0 H PHE A 53 77.634 5.692 -23.105 1.00 0.00 H new ATOM 0 HA PHE A 53 80.168 4.495 -24.242 1.00 0.00 H new ATOM 0 HB2 PHE A 53 79.297 6.949 -22.648 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.981 6.469 -22.705 1.00 0.00 H new ATOM 0 HD1 PHE A 53 78.162 6.853 -25.208 1.00 0.00 H new ATOM 0 HD2 PHE A 53 82.290 7.665 -24.208 1.00 0.00 H new ATOM 0 HE1 PHE A 53 78.444 8.081 -27.364 1.00 0.00 H new ATOM 0 HE2 PHE A 53 82.572 8.889 -26.364 1.00 0.00 H new ATOM 0 HZ PHE A 53 80.649 9.097 -27.942 1.00 0.00 H new ATOM 858 N GLN A 54 81.073 3.601 -22.047 1.00 0.00 N ATOM 859 CA GLN A 54 81.378 2.715 -20.875 1.00 0.00 C ATOM 860 C GLN A 54 81.421 3.531 -19.579 1.00 0.00 C ATOM 861 O GLN A 54 81.913 4.646 -19.554 1.00 0.00 O ATOM 862 CB GLN A 54 82.754 2.109 -21.168 1.00 0.00 C ATOM 863 CG GLN A 54 82.659 1.183 -22.384 1.00 0.00 C ATOM 864 CD GLN A 54 84.039 0.605 -22.701 1.00 0.00 C ATOM 865 OE1 GLN A 54 85.042 1.275 -22.548 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.136 -0.620 -23.138 1.00 0.00 N ATOM 0 H GLN A 54 81.835 3.709 -22.716 1.00 0.00 H new ATOM 0 HA GLN A 54 80.615 1.948 -20.742 1.00 0.00 H new ATOM 0 HB2 GLN A 54 83.479 2.901 -21.357 1.00 0.00 H new ATOM 0 HB3 GLN A 54 83.109 1.552 -20.301 1.00 0.00 H new ATOM 0 HG2 GLN A 54 81.953 0.376 -22.185 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.279 1.734 -23.244 1.00 0.00 H new ATOM 0 HE21 GLN A 54 83.296 -1.184 -23.267 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.052 -1.015 -23.351 1.00 0.00 H new ATOM 875 N ILE A 55 80.909 2.980 -18.504 1.00 0.00 N ATOM 876 CA ILE A 55 80.951 3.691 -17.186 1.00 0.00 C ATOM 877 C ILE A 55 81.835 2.908 -16.207 1.00 0.00 C ATOM 878 O ILE A 55 81.760 1.695 -16.129 1.00 0.00 O ATOM 879 CB ILE A 55 79.493 3.738 -16.692 1.00 0.00 C ATOM 880 CG1 ILE A 55 78.621 4.482 -17.713 1.00 0.00 C ATOM 881 CG2 ILE A 55 79.427 4.475 -15.349 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.143 4.298 -17.359 1.00 0.00 C ATOM 0 H ILE A 55 80.462 2.064 -18.483 1.00 0.00 H new ATOM 0 HA ILE A 55 81.370 4.694 -17.269 1.00 0.00 H new ATOM 0 HB ILE A 55 79.127 2.718 -16.572 1.00 0.00 H new ATOM 0 HG12 ILE A 55 78.875 5.542 -17.718 1.00 0.00 H new ATOM 0 HG13 ILE A 55 78.815 4.103 -18.716 1.00 0.00 H new ATOM 0 HG21 ILE A 55 78.394 4.507 -15.002 1.00 0.00 H new ATOM 0 HG22 ILE A 55 80.040 3.951 -14.616 1.00 0.00 H new ATOM 0 HG23 ILE A 55 79.799 5.492 -15.473 1.00 0.00 H new ATOM 0 HD11 ILE A 55 76.526 4.827 -18.085 1.00 0.00 H new ATOM 0 HD12 ILE A 55 76.894 3.237 -17.376 1.00 0.00 H new ATOM 0 HD13 ILE A 55 76.955 4.699 -16.363 1.00 0.00 H new ATOM 894 N ALA A 56 82.666 3.597 -15.463 1.00 0.00 N ATOM 895 CA ALA A 56 83.564 2.904 -14.489 1.00 0.00 C ATOM 896 C ALA A 56 82.955 2.957 -13.076 1.00 0.00 C ATOM 897 O ALA A 56 82.907 4.016 -12.479 1.00 0.00 O ATOM 898 CB ALA A 56 84.873 3.692 -14.533 1.00 0.00 C ATOM 0 H ALA A 56 82.761 4.612 -15.489 1.00 0.00 H new ATOM 0 HA ALA A 56 83.709 1.852 -14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.589 3.246 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 56 85.279 3.667 -15.544 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.685 4.726 -14.243 1.00 0.00 H new ATOM 904 N PRO A 57 82.505 1.817 -12.574 1.00 0.00 N ATOM 905 CA PRO A 57 81.927 1.774 -11.203 1.00 0.00 C ATOM 906 C PRO A 57 83.014 2.052 -10.157 1.00 0.00 C ATOM 907 O PRO A 57 84.177 1.763 -10.371 1.00 0.00 O ATOM 908 CB PRO A 57 81.391 0.347 -11.067 1.00 0.00 C ATOM 909 CG PRO A 57 82.122 -0.451 -12.098 1.00 0.00 C ATOM 910 CD PRO A 57 82.485 0.490 -13.215 1.00 0.00 C ATOM 0 HA PRO A 57 81.152 2.524 -11.047 1.00 0.00 H new ATOM 0 HB2 PRO A 57 81.570 -0.046 -10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.315 0.314 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 57 83.017 -0.904 -11.671 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.498 -1.265 -12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 57 83.454 0.241 -13.647 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.756 0.449 -14.024 1.00 0.00 H new ATOM 918 N GLN A 58 82.639 2.610 -9.032 1.00 0.00 N ATOM 919 CA GLN A 58 83.643 2.922 -7.969 1.00 0.00 C ATOM 920 C GLN A 58 83.720 1.773 -6.959 1.00 0.00 C ATOM 921 O GLN A 58 82.725 1.389 -6.370 1.00 0.00 O ATOM 922 CB GLN A 58 83.131 4.196 -7.295 1.00 0.00 C ATOM 923 CG GLN A 58 83.212 5.365 -8.280 1.00 0.00 C ATOM 924 CD GLN A 58 82.671 6.634 -7.617 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.736 6.580 -6.843 1.00 0.00 O ATOM 926 NE2 GLN A 58 83.224 7.785 -7.892 1.00 0.00 N ATOM 0 H GLN A 58 81.678 2.863 -8.804 1.00 0.00 H new ATOM 0 HA GLN A 58 84.645 3.054 -8.377 1.00 0.00 H new ATOM 0 HB2 GLN A 58 82.102 4.056 -6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 58 83.724 4.414 -6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 58 84.245 5.518 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.637 5.138 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.009 7.831 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.871 8.637 -7.457 1.00 0.00 H new ATOM 935 N SER A 59 84.895 1.227 -6.757 1.00 0.00 N ATOM 936 CA SER A 59 85.055 0.106 -5.774 1.00 0.00 C ATOM 937 C SER A 59 84.789 0.600 -4.348 1.00 0.00 C ATOM 938 O SER A 59 84.310 -0.139 -3.508 1.00 0.00 O ATOM 939 CB SER A 59 86.507 -0.356 -5.915 1.00 0.00 C ATOM 940 OG SER A 59 86.762 -0.694 -7.272 1.00 0.00 O ATOM 0 H SER A 59 85.753 1.509 -7.231 1.00 0.00 H new ATOM 0 HA SER A 59 84.351 -0.703 -5.967 1.00 0.00 H new ATOM 0 HB2 SER A 59 87.185 0.434 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 59 86.691 -1.217 -5.273 1.00 0.00 H new ATOM 0 HG SER A 59 87.692 -0.989 -7.367 1.00 0.00 H new ATOM 946 N GLN A 60 85.096 1.847 -4.072 1.00 0.00 N ATOM 947 CA GLN A 60 84.894 2.396 -2.689 1.00 0.00 C ATOM 948 C GLN A 60 83.411 2.348 -2.298 1.00 0.00 C ATOM 949 O GLN A 60 82.537 2.469 -3.137 1.00 0.00 O ATOM 950 CB GLN A 60 85.378 3.847 -2.750 1.00 0.00 C ATOM 951 CG GLN A 60 86.888 3.875 -3.005 1.00 0.00 C ATOM 952 CD GLN A 60 87.367 5.324 -3.107 1.00 0.00 C ATOM 953 OE1 GLN A 60 86.667 6.174 -3.623 1.00 0.00 O ATOM 954 NE2 GLN A 60 88.539 5.646 -2.634 1.00 0.00 N ATOM 0 H GLN A 60 85.479 2.510 -4.746 1.00 0.00 H new ATOM 0 HA GLN A 60 85.438 1.815 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.855 4.382 -3.543 1.00 0.00 H new ATOM 0 HB3 GLN A 60 85.147 4.357 -1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 60 87.412 3.365 -2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 60 87.121 3.339 -3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 60 89.127 4.934 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 60 88.867 6.610 -2.697 1.00 0.00 H new ATOM 963 N ILE A 61 83.130 2.172 -1.030 1.00 0.00 N ATOM 964 CA ILE A 61 81.709 2.109 -0.565 1.00 0.00 C ATOM 965 C ILE A 61 81.272 3.484 -0.045 1.00 0.00 C ATOM 966 O ILE A 61 82.093 4.293 0.348 1.00 0.00 O ATOM 967 CB ILE A 61 81.699 1.072 0.575 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.268 -0.278 0.086 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.265 0.868 1.081 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.454 -0.816 -1.101 1.00 0.00 C ATOM 0 H ILE A 61 83.828 2.069 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 61 81.023 1.832 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 61 82.324 1.445 1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.310 -0.153 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.252 -1.001 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.264 0.134 1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 61 79.872 1.815 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.638 0.510 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.873 -1.767 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.418 -0.962 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.493 -0.101 -1.923 1.00 0.00 H new ATOM 982 N TYR A 62 79.989 3.749 -0.042 1.00 0.00 N ATOM 983 CA TYR A 62 79.492 5.073 0.446 1.00 0.00 C ATOM 984 C TYR A 62 79.129 4.986 1.931 1.00 0.00 C ATOM 985 O TYR A 62 78.188 4.310 2.304 1.00 0.00 O ATOM 986 CB TYR A 62 78.246 5.365 -0.389 1.00 0.00 C ATOM 987 CG TYR A 62 78.547 5.679 -1.836 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.039 4.666 -2.695 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.333 6.987 -2.334 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.318 4.961 -4.051 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.612 7.282 -3.691 1.00 0.00 C ATOM 992 CZ TYR A 62 79.104 6.270 -4.549 1.00 0.00 C ATOM 993 OH TYR A 62 79.375 6.557 -5.871 1.00 0.00 O ATOM 0 H TYR A 62 79.263 3.105 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 62 80.243 5.856 0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.579 4.504 -0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.712 6.206 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 62 79.201 3.668 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.957 7.759 -1.679 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.694 4.189 -4.706 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.449 8.280 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 62 80.274 6.238 -6.097 1.00 0.00 H new ATOM 1003 N ASP A 63 79.874 5.662 2.776 1.00 0.00 N ATOM 1004 CA ASP A 63 79.564 5.673 4.249 1.00 0.00 C ATOM 1005 C ASP A 63 78.095 6.036 4.517 1.00 0.00 C ATOM 1006 O ASP A 63 77.440 5.429 5.345 1.00 0.00 O ATOM 1007 CB ASP A 63 80.478 6.754 4.834 1.00 0.00 C ATOM 1008 CG ASP A 63 80.464 6.666 6.361 1.00 0.00 C ATOM 1009 OD1 ASP A 63 79.628 7.319 6.965 1.00 0.00 O ATOM 1010 OD2 ASP A 63 81.290 5.948 6.901 1.00 0.00 O ATOM 0 H ASP A 63 80.691 6.212 2.509 1.00 0.00 H new ATOM 0 HA ASP A 63 79.725 4.691 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 63 81.494 6.626 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.143 7.740 4.513 1.00 0.00 H new ATOM 1015 N TYR A 64 77.581 7.021 3.820 1.00 0.00 N ATOM 1016 CA TYR A 64 76.196 7.510 4.104 1.00 0.00 C ATOM 1017 C TYR A 64 75.580 8.121 2.843 1.00 0.00 C ATOM 1018 O TYR A 64 76.186 8.949 2.187 1.00 0.00 O ATOM 1019 CB TYR A 64 76.376 8.581 5.183 1.00 0.00 C ATOM 1020 CG TYR A 64 75.085 9.035 5.833 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.099 9.716 5.073 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.866 8.790 7.211 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.901 10.148 5.691 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.666 9.222 7.827 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.685 9.902 7.068 1.00 0.00 C ATOM 1026 OH TYR A 64 71.518 10.325 7.670 1.00 0.00 O ATOM 0 H TYR A 64 78.063 7.508 3.065 1.00 0.00 H new ATOM 0 HA TYR A 64 75.530 6.709 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.041 8.194 5.955 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.870 9.446 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.263 9.905 4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.615 8.273 7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.151 10.666 5.111 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.500 9.032 8.877 1.00 0.00 H new ATOM 0 HH TYR A 64 71.530 10.075 8.618 1.00 0.00 H new ATOM 1036 N ILE A 65 74.380 7.718 2.503 1.00 0.00 N ATOM 1037 CA ILE A 65 73.643 8.391 1.383 1.00 0.00 C ATOM 1038 C ILE A 65 72.235 8.787 1.849 1.00 0.00 C ATOM 1039 O ILE A 65 71.499 7.977 2.383 1.00 0.00 O ATOM 1040 CB ILE A 65 73.580 7.361 0.240 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.008 7.014 -0.214 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.797 7.949 -0.947 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.968 5.948 -1.317 1.00 0.00 C ATOM 0 H ILE A 65 73.877 6.952 2.952 1.00 0.00 H new ATOM 0 HA ILE A 65 74.139 9.305 1.056 1.00 0.00 H new ATOM 0 HB ILE A 65 73.078 6.461 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.508 7.910 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.589 6.650 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.755 7.217 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.784 8.196 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.296 8.851 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.985 5.710 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.486 5.048 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.405 6.328 -2.170 1.00 0.00 H new ATOM 1055 N LEU A 66 71.868 10.030 1.648 1.00 0.00 N ATOM 1056 CA LEU A 66 70.484 10.482 1.995 1.00 0.00 C ATOM 1057 C LEU A 66 69.560 10.303 0.787 1.00 0.00 C ATOM 1058 O LEU A 66 69.927 10.609 -0.334 1.00 0.00 O ATOM 1059 CB LEU A 66 70.624 11.966 2.351 1.00 0.00 C ATOM 1060 CG LEU A 66 69.294 12.494 2.897 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.044 11.913 4.290 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.352 14.021 2.985 1.00 0.00 C ATOM 0 H LEU A 66 72.471 10.754 1.257 1.00 0.00 H new ATOM 0 HA LEU A 66 70.054 9.909 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.411 12.099 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.918 12.535 1.469 1.00 0.00 H new ATOM 0 HG LEU A 66 68.484 12.196 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.097 12.290 4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 66 69.004 10.825 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.853 12.209 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.406 14.399 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.162 14.317 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.529 14.436 1.993 1.00 0.00 H new ATOM 1074 N PHE A 67 68.366 9.809 1.009 1.00 0.00 N ATOM 1075 CA PHE A 67 67.446 9.511 -0.130 1.00 0.00 C ATOM 1076 C PHE A 67 66.030 10.009 0.178 1.00 0.00 C ATOM 1077 O PHE A 67 65.482 9.728 1.227 1.00 0.00 O ATOM 1078 CB PHE A 67 67.457 7.986 -0.253 1.00 0.00 C ATOM 1079 CG PHE A 67 68.536 7.446 -1.166 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.769 8.044 -2.428 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.300 6.322 -0.765 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.761 7.520 -3.286 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.298 5.801 -1.623 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.527 6.400 -2.885 1.00 0.00 C ATOM 0 H PHE A 67 67.989 9.599 1.933 1.00 0.00 H new ATOM 0 HA PHE A 67 67.760 10.003 -1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.586 7.553 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.486 7.655 -0.621 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.188 8.901 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.121 5.863 0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.935 7.975 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.884 4.948 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.286 6.002 -3.542 1.00 0.00 H new ATOM 1094 N ARG A 68 65.441 10.749 -0.730 1.00 0.00 N ATOM 1095 CA ARG A 68 64.009 11.151 -0.568 1.00 0.00 C ATOM 1096 C ARG A 68 63.090 10.122 -1.238 1.00 0.00 C ATOM 1097 O ARG A 68 63.441 9.519 -2.240 1.00 0.00 O ATOM 1098 CB ARG A 68 63.888 12.508 -1.265 1.00 0.00 C ATOM 1099 CG ARG A 68 64.715 13.551 -0.508 1.00 0.00 C ATOM 1100 CD ARG A 68 64.516 14.928 -1.151 1.00 0.00 C ATOM 1101 NE ARG A 68 65.517 15.824 -0.487 1.00 0.00 N ATOM 1102 CZ ARG A 68 65.414 17.139 -0.554 1.00 0.00 C ATOM 1103 NH1 ARG A 68 64.435 17.721 -1.208 1.00 0.00 N ATOM 1104 NH2 ARG A 68 66.308 17.878 0.043 1.00 0.00 N ATOM 0 H ARG A 68 65.892 11.093 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 68 63.717 11.206 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.236 12.431 -2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.843 12.816 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.413 13.580 0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.770 13.278 -0.528 1.00 0.00 H new ATOM 0 HD2 ARG A 68 64.679 14.886 -2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 68 63.500 15.291 -0.996 1.00 0.00 H new ATOM 0 HE ARG A 68 66.294 15.410 0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.730 17.155 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 68 64.380 18.739 -1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 68 67.074 17.439 0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 68 66.241 18.895 -0.001 1.00 0.00 H new ATOM 1118 N GLY A 69 61.913 9.917 -0.693 1.00 0.00 N ATOM 1119 CA GLY A 69 60.952 8.939 -1.297 1.00 0.00 C ATOM 1120 C GLY A 69 60.620 9.333 -2.745 1.00 0.00 C ATOM 1121 O GLY A 69 60.275 8.494 -3.556 1.00 0.00 O ATOM 0 H GLY A 69 61.576 10.387 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.382 7.938 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.038 8.906 -0.704 1.00 0.00 H new ATOM 1125 N SER A 70 60.721 10.601 -3.071 1.00 0.00 N ATOM 1126 CA SER A 70 60.365 11.061 -4.454 1.00 0.00 C ATOM 1127 C SER A 70 61.335 10.482 -5.491 1.00 0.00 C ATOM 1128 O SER A 70 60.932 10.097 -6.573 1.00 0.00 O ATOM 1129 CB SER A 70 60.478 12.587 -4.416 1.00 0.00 C ATOM 1130 OG SER A 70 59.661 13.093 -3.367 1.00 0.00 O ATOM 0 H SER A 70 61.035 11.338 -2.439 1.00 0.00 H new ATOM 0 HA SER A 70 59.367 10.730 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.515 12.883 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.167 13.010 -5.371 1.00 0.00 H new ATOM 0 HG SER A 70 59.733 14.070 -3.339 1.00 0.00 H new ATOM 1136 N ASP A 71 62.607 10.418 -5.171 1.00 0.00 N ATOM 1137 CA ASP A 71 63.618 9.972 -6.186 1.00 0.00 C ATOM 1138 C ASP A 71 63.662 8.441 -6.277 1.00 0.00 C ATOM 1139 O ASP A 71 63.911 7.887 -7.331 1.00 0.00 O ATOM 1140 CB ASP A 71 64.967 10.546 -5.720 1.00 0.00 C ATOM 1141 CG ASP A 71 65.345 9.997 -4.338 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.650 8.820 -4.252 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.329 10.768 -3.394 1.00 0.00 O ATOM 0 H ASP A 71 62.988 10.654 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 71 63.366 10.328 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.744 10.293 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.910 11.634 -5.681 1.00 0.00 H new ATOM 1148 N ILE A 72 63.424 7.755 -5.184 1.00 0.00 N ATOM 1149 CA ILE A 72 63.398 6.258 -5.225 1.00 0.00 C ATOM 1150 C ILE A 72 61.950 5.754 -5.206 1.00 0.00 C ATOM 1151 O ILE A 72 61.103 6.286 -4.512 1.00 0.00 O ATOM 1152 CB ILE A 72 64.215 5.823 -3.994 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.705 5.903 -4.354 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.878 4.381 -3.579 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.527 6.182 -3.100 1.00 0.00 C ATOM 0 H ILE A 72 63.247 8.166 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 72 63.828 5.837 -6.134 1.00 0.00 H new ATOM 0 HB ILE A 72 63.974 6.482 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.028 4.968 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.869 6.691 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.472 4.105 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.818 4.311 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.105 3.703 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.583 6.238 -3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.212 7.129 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.374 5.379 -2.379 1.00 0.00 H new ATOM 1167 N LYS A 73 61.676 4.723 -5.969 1.00 0.00 N ATOM 1168 CA LYS A 73 60.262 4.333 -6.239 1.00 0.00 C ATOM 1169 C LYS A 73 59.862 3.083 -5.446 1.00 0.00 C ATOM 1170 O LYS A 73 58.687 2.852 -5.220 1.00 0.00 O ATOM 1171 CB LYS A 73 60.215 4.048 -7.740 1.00 0.00 C ATOM 1172 CG LYS A 73 58.760 3.890 -8.188 1.00 0.00 C ATOM 1173 CD LYS A 73 58.089 5.264 -8.242 1.00 0.00 C ATOM 1174 CE LYS A 73 56.660 5.115 -8.768 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.074 6.481 -8.681 1.00 0.00 N ATOM 0 H LYS A 73 62.377 4.134 -6.417 1.00 0.00 H new ATOM 0 HA LYS A 73 59.567 5.117 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.689 4.861 -8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.776 3.141 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.720 3.416 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.224 3.239 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 73 58.077 5.714 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 73 58.658 5.933 -8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.653 4.747 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.091 4.403 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.093 6.460 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 56.088 6.802 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.632 7.136 -9.265 1.00 0.00 H new ATOM 1189 N ASP A 74 60.809 2.275 -5.016 1.00 0.00 N ATOM 1190 CA ASP A 74 60.423 1.027 -4.279 1.00 0.00 C ATOM 1191 C ASP A 74 61.511 0.605 -3.289 1.00 0.00 C ATOM 1192 O ASP A 74 62.684 0.589 -3.606 1.00 0.00 O ATOM 1193 CB ASP A 74 60.233 -0.035 -5.362 1.00 0.00 C ATOM 1194 CG ASP A 74 59.587 -1.280 -4.752 1.00 0.00 C ATOM 1195 OD1 ASP A 74 60.322 -2.146 -4.303 1.00 0.00 O ATOM 1196 OD2 ASP A 74 58.370 -1.348 -4.744 1.00 0.00 O ATOM 0 H ASP A 74 61.811 2.422 -5.141 1.00 0.00 H new ATOM 0 HA ASP A 74 59.520 1.175 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.607 0.356 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.195 -0.292 -5.806 1.00 0.00 H new ATOM 1201 N ILE A 75 61.113 0.264 -2.084 1.00 0.00 N ATOM 1202 CA ILE A 75 62.084 -0.245 -1.067 1.00 0.00 C ATOM 1203 C ILE A 75 61.536 -1.530 -0.423 1.00 0.00 C ATOM 1204 O ILE A 75 60.354 -1.635 -0.147 1.00 0.00 O ATOM 1205 CB ILE A 75 62.217 0.891 -0.035 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.238 0.497 1.038 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.864 1.173 0.634 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.639 1.735 1.843 1.00 0.00 C ATOM 0 H ILE A 75 60.147 0.318 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 75 63.052 -0.500 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 75 62.551 1.791 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.813 -0.258 1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.118 0.053 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.978 1.978 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.138 1.467 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.515 0.274 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.365 1.454 2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.082 2.475 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.756 2.160 2.321 1.00 0.00 H new ATOM 1220 N ARG A 76 62.385 -2.500 -0.184 1.00 0.00 N ATOM 1221 CA ARG A 76 61.920 -3.777 0.443 1.00 0.00 C ATOM 1222 C ARG A 76 63.017 -4.363 1.338 1.00 0.00 C ATOM 1223 O ARG A 76 64.190 -4.288 1.022 1.00 0.00 O ATOM 1224 CB ARG A 76 61.624 -4.717 -0.727 1.00 0.00 C ATOM 1225 CG ARG A 76 60.422 -4.195 -1.518 1.00 0.00 C ATOM 1226 CD ARG A 76 59.973 -5.259 -2.526 1.00 0.00 C ATOM 1227 NE ARG A 76 58.956 -4.581 -3.393 1.00 0.00 N ATOM 1228 CZ ARG A 76 58.128 -5.273 -4.152 1.00 0.00 C ATOM 1229 NH1 ARG A 76 58.160 -6.587 -4.188 1.00 0.00 N ATOM 1230 NH2 ARG A 76 57.256 -4.637 -4.886 1.00 0.00 N ATOM 0 H ARG A 76 63.382 -2.462 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 76 61.044 -3.626 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.496 -4.789 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.419 -5.721 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.604 -3.953 -0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.687 -3.275 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 60.815 -5.621 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.544 -6.124 -2.020 1.00 0.00 H new ATOM 0 HE ARG A 76 58.903 -3.562 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.837 -7.096 -3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 76 57.508 -7.097 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.221 -3.618 -4.868 1.00 0.00 H new ATOM 0 HH22 ARG A 76 56.610 -5.159 -5.478 1.00 0.00 H new ATOM 1244 N VAL A 77 62.640 -4.945 2.451 1.00 0.00 N ATOM 1245 CA VAL A 77 63.655 -5.562 3.368 1.00 0.00 C ATOM 1246 C VAL A 77 63.975 -6.994 2.917 1.00 0.00 C ATOM 1247 O VAL A 77 63.123 -7.690 2.396 1.00 0.00 O ATOM 1248 CB VAL A 77 63.026 -5.553 4.776 1.00 0.00 C ATOM 1249 CG1 VAL A 77 62.762 -4.109 5.210 1.00 0.00 C ATOM 1250 CG2 VAL A 77 61.700 -6.332 4.790 1.00 0.00 C ATOM 0 H VAL A 77 61.673 -5.020 2.766 1.00 0.00 H new ATOM 0 HA VAL A 77 64.594 -5.009 3.359 1.00 0.00 H new ATOM 0 HB VAL A 77 63.722 -6.032 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 77 62.317 -4.104 6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 77 63.702 -3.557 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 62.078 -3.636 4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 77 61.276 -6.311 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 77 61.001 -5.873 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.882 -7.365 4.495 1.00 0.00 H new ATOM 1260 N VAL A 78 65.197 -7.433 3.112 1.00 0.00 N ATOM 1261 CA VAL A 78 65.578 -8.817 2.687 1.00 0.00 C ATOM 1262 C VAL A 78 65.439 -9.781 3.873 1.00 0.00 C ATOM 1263 O VAL A 78 65.915 -9.510 4.960 1.00 0.00 O ATOM 1264 CB VAL A 78 67.043 -8.718 2.233 1.00 0.00 C ATOM 1265 CG1 VAL A 78 67.525 -10.083 1.728 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.168 -7.696 1.097 1.00 0.00 C ATOM 0 H VAL A 78 65.945 -6.893 3.547 1.00 0.00 H new ATOM 0 HA VAL A 78 64.940 -9.195 1.888 1.00 0.00 H new ATOM 0 HB VAL A 78 67.652 -8.403 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 78 68.564 -10.006 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.446 -10.816 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 78 66.908 -10.398 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.209 -7.630 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 78 66.551 -8.010 0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 66.833 -6.720 1.447 1.00 0.00 H new