USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 52 GLN : amide:sc= -1.41 K(o=-0.47,f=-2.5) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.635 K(o=-0.47,f=-11!) USER MOD Set 1.3: A 106 SER OG : rot 58:sc= 0.309! USER MOD Set 2.1: A 20 MET CE :methyl -167:sc= -0.322 (180deg=-0.871) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot 170:sc= -0.295 USER MOD Set 3.2: A 31 SER OG : rot -159:sc= 1.83 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 25 GLN : amide:sc= -0.0186 X(o=-0.019,f=0.00085) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 33 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.13) USER MOD Single : A 45 ASN : amide:sc= 0.638 K(o=0.64,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 70:sc= -1.81 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.298 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -114:sc= -2.9 (180deg=-7.51!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -170:sc= -0.561 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.183 K(o=-0.18,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0165 USER MOD Single : A 99 ASN : amide:sc= -7.53! C(o=-7.5!,f=-23!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -84:sc= 0.145 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0898 USER MOD Single : A 111 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 114 THR OG1 : rot 165:sc= 0.569 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.293 12.092 -3.114 1.00 0.00 N ATOM 151 CA ALA A 14 10.174 11.185 -3.301 1.00 0.00 C ATOM 152 C ALA A 14 10.490 10.222 -4.448 1.00 0.00 C ATOM 153 O ALA A 14 11.265 10.552 -5.344 1.00 0.00 O ATOM 154 CB ALA A 14 8.899 11.992 -3.552 1.00 0.00 C ATOM 0 HA ALA A 14 10.010 10.587 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.059 11.311 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.703 12.638 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.025 12.602 -4.446 1.00 0.00 H new ATOM 160 N PRO A 15 9.856 9.021 -4.381 1.00 0.00 N ATOM 161 CA PRO A 15 10.062 8.008 -5.403 1.00 0.00 C ATOM 162 C PRO A 15 9.316 8.369 -6.689 1.00 0.00 C ATOM 163 O PRO A 15 8.283 9.036 -6.646 1.00 0.00 O ATOM 164 CB PRO A 15 9.574 6.712 -4.777 1.00 0.00 C ATOM 165 CG PRO A 15 8.689 7.121 -3.610 1.00 0.00 C ATOM 166 CD PRO A 15 8.932 8.595 -3.335 1.00 0.00 C ATOM 0 HA PRO A 15 11.106 7.920 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.017 6.115 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.411 6.102 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.640 6.945 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.921 6.525 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.002 9.163 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.359 8.748 -2.344 1.00 0.00 H new ATOM 174 N ASP A 16 9.868 7.911 -7.804 1.00 0.00 N ATOM 175 CA ASP A 16 9.268 8.177 -9.100 1.00 0.00 C ATOM 176 C ASP A 16 8.921 6.850 -9.778 1.00 0.00 C ATOM 177 O ASP A 16 9.412 6.558 -10.867 1.00 0.00 O ATOM 178 CB ASP A 16 10.237 8.934 -10.011 1.00 0.00 C ATOM 179 CG ASP A 16 10.547 10.368 -9.576 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.787 10.880 -8.726 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.536 10.920 -10.104 1.00 0.00 O ATOM 0 H ASP A 16 10.724 7.358 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 16 8.376 8.782 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.172 8.376 -10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.822 8.958 -11.018 1.00 0.00 H new ATOM 186 N GLY A 17 8.076 6.082 -9.105 1.00 0.00 N ATOM 187 CA GLY A 17 7.657 4.793 -9.629 1.00 0.00 C ATOM 188 C GLY A 17 6.963 3.962 -8.549 1.00 0.00 C ATOM 189 O GLY A 17 7.367 3.985 -7.387 1.00 0.00 O ATOM 0 H GLY A 17 7.670 6.328 -8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.980 4.941 -10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.524 4.252 -10.009 1.00 0.00 H new ATOM 193 N PRO A 18 5.902 3.228 -8.981 1.00 0.00 N ATOM 194 CA PRO A 18 5.148 2.391 -8.064 1.00 0.00 C ATOM 195 C PRO A 18 5.927 1.122 -7.713 1.00 0.00 C ATOM 196 O PRO A 18 6.912 0.792 -8.372 1.00 0.00 O ATOM 197 CB PRO A 18 3.838 2.105 -8.779 1.00 0.00 C ATOM 198 CG PRO A 18 4.092 2.401 -10.248 1.00 0.00 C ATOM 199 CD PRO A 18 5.395 3.177 -10.349 1.00 0.00 C ATOM 0 HA PRO A 18 4.965 2.876 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.533 1.068 -8.636 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.035 2.730 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.154 1.474 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.270 2.980 -10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.101 2.681 -11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.230 4.178 -10.748 1.00 0.00 H new ATOM 207 N PRO A 19 5.444 0.427 -6.648 1.00 0.00 N ATOM 208 CA PRO A 19 6.084 -0.799 -6.202 1.00 0.00 C ATOM 209 C PRO A 19 5.767 -1.959 -7.148 1.00 0.00 C ATOM 210 O PRO A 19 4.907 -1.837 -8.019 1.00 0.00 O ATOM 211 CB PRO A 19 5.565 -1.023 -4.792 1.00 0.00 C ATOM 212 CG PRO A 19 4.307 -0.179 -4.672 1.00 0.00 C ATOM 213 CD PRO A 19 4.281 0.788 -5.844 1.00 0.00 C ATOM 0 HA PRO A 19 7.172 -0.731 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.346 -2.077 -4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.307 -0.726 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.420 -0.813 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.301 0.365 -3.728 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.358 0.692 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.339 1.822 -5.505 1.00 0.00 H new ATOM 221 N MET A 20 6.478 -3.058 -6.944 1.00 0.00 N ATOM 222 CA MET A 20 6.282 -4.239 -7.767 1.00 0.00 C ATOM 223 C MET A 20 5.556 -5.337 -6.988 1.00 0.00 C ATOM 224 O MET A 20 5.274 -5.178 -5.801 1.00 0.00 O ATOM 225 CB MET A 20 7.640 -4.762 -8.241 1.00 0.00 C ATOM 226 CG MET A 20 8.514 -3.622 -8.766 1.00 0.00 C ATOM 227 SD MET A 20 7.616 -2.675 -9.984 1.00 0.00 S ATOM 228 CE MET A 20 7.958 -3.644 -11.443 1.00 0.00 C ATOM 0 H MET A 20 7.191 -3.155 -6.221 1.00 0.00 H new ATOM 0 HA MET A 20 5.669 -3.963 -8.625 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.148 -5.265 -7.418 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.494 -5.504 -9.026 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.817 -2.976 -7.942 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.426 -4.025 -9.207 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.671 -3.079 -12.330 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.023 -3.873 -11.487 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.389 -4.573 -11.405 1.00 0.00 H new ATOM 238 N ASP A 21 5.273 -6.427 -7.687 1.00 0.00 N ATOM 239 CA ASP A 21 4.584 -7.550 -7.075 1.00 0.00 C ATOM 240 C ASP A 21 3.335 -7.045 -6.351 1.00 0.00 C ATOM 241 O ASP A 21 2.872 -7.666 -5.396 1.00 0.00 O ATOM 242 CB ASP A 21 5.476 -8.249 -6.047 1.00 0.00 C ATOM 243 CG ASP A 21 5.122 -9.712 -5.773 1.00 0.00 C ATOM 244 OD1 ASP A 21 5.390 -10.539 -6.671 1.00 0.00 O ATOM 245 OD2 ASP A 21 4.593 -9.971 -4.670 1.00 0.00 O ATOM 0 H ASP A 21 5.508 -6.556 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 21 4.322 -8.255 -7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.509 -8.199 -6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.425 -7.697 -5.109 1.00 0.00 H new ATOM 250 N VAL A 22 2.823 -5.922 -6.835 1.00 0.00 N ATOM 251 CA VAL A 22 1.637 -5.326 -6.246 1.00 0.00 C ATOM 252 C VAL A 22 0.414 -6.174 -6.602 1.00 0.00 C ATOM 253 O VAL A 22 -0.040 -6.165 -7.745 1.00 0.00 O ATOM 254 CB VAL A 22 1.505 -3.869 -6.695 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.280 -3.208 -6.059 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.778 -3.081 -6.382 1.00 0.00 C ATOM 0 H VAL A 22 3.209 -5.410 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 22 1.717 -5.311 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 22 1.365 -3.863 -7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.210 -2.173 -6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.620 -3.748 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.376 -3.232 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.657 -2.049 -6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.963 -3.100 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.622 -3.532 -6.903 1.00 0.00 H new ATOM 266 N THR A 23 -0.083 -6.887 -5.602 1.00 0.00 N ATOM 267 CA THR A 23 -1.244 -7.739 -5.796 1.00 0.00 C ATOM 268 C THR A 23 -2.011 -7.903 -4.482 1.00 0.00 C ATOM 269 O THR A 23 -1.489 -7.592 -3.412 1.00 0.00 O ATOM 270 CB THR A 23 -0.763 -9.065 -6.388 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.966 -9.766 -6.692 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.068 -9.951 -5.352 1.00 0.00 C ATOM 0 H THR A 23 0.297 -6.892 -4.655 1.00 0.00 H new ATOM 0 HA THR A 23 -1.951 -7.291 -6.495 1.00 0.00 H new ATOM 0 HB THR A 23 -0.079 -8.867 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.747 -10.638 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.254 -10.879 -5.824 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.800 -9.429 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.762 -10.177 -4.543 1.00 0.00 H new ATOM 280 N LEU A 24 -3.236 -8.390 -4.606 1.00 0.00 N ATOM 281 CA LEU A 24 -4.080 -8.599 -3.441 1.00 0.00 C ATOM 282 C LEU A 24 -4.404 -10.089 -3.312 1.00 0.00 C ATOM 283 O LEU A 24 -4.253 -10.846 -4.270 1.00 0.00 O ATOM 284 CB LEU A 24 -5.319 -7.704 -3.510 1.00 0.00 C ATOM 285 CG LEU A 24 -5.056 -6.200 -3.608 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.336 -5.441 -3.963 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.412 -5.671 -2.325 1.00 0.00 C ATOM 0 H LEU A 24 -3.665 -8.646 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.554 -8.307 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.913 -8.006 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.926 -7.889 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.346 -6.030 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.121 -4.374 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.713 -5.793 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.087 -5.614 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.236 -4.600 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.077 -5.855 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.463 -6.181 -2.157 1.00 0.00 H new ATOM 299 N GLN A 25 -4.843 -10.465 -2.120 1.00 0.00 N ATOM 300 CA GLN A 25 -5.189 -11.851 -1.853 1.00 0.00 C ATOM 301 C GLN A 25 -5.960 -11.961 -0.536 1.00 0.00 C ATOM 302 O GLN A 25 -5.434 -11.629 0.526 1.00 0.00 O ATOM 303 CB GLN A 25 -3.940 -12.734 -1.832 1.00 0.00 C ATOM 304 CG GLN A 25 -4.266 -14.156 -2.292 1.00 0.00 C ATOM 305 CD GLN A 25 -3.394 -14.560 -3.483 1.00 0.00 C ATOM 306 OE1 GLN A 25 -3.440 -13.969 -4.549 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.598 -15.598 -3.242 1.00 0.00 N ATOM 0 H GLN A 25 -4.967 -9.834 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.831 -12.206 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.176 -12.305 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.526 -12.760 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.110 -14.853 -1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.318 -14.220 -2.569 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.609 -16.047 -2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.977 -15.945 -3.973 1.00 0.00 H new ATOM 316 N PRO A 26 -7.228 -12.440 -0.651 1.00 0.00 N ATOM 317 CA PRO A 26 -8.077 -12.597 0.518 1.00 0.00 C ATOM 318 C PRO A 26 -7.655 -13.815 1.342 1.00 0.00 C ATOM 319 O PRO A 26 -7.674 -14.941 0.847 1.00 0.00 O ATOM 320 CB PRO A 26 -9.488 -12.714 -0.034 1.00 0.00 C ATOM 321 CG PRO A 26 -9.333 -13.084 -1.500 1.00 0.00 C ATOM 322 CD PRO A 26 -7.884 -12.842 -1.891 1.00 0.00 C ATOM 0 HA PRO A 26 -8.002 -11.757 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.055 -13.474 0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.030 -11.775 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.603 -14.128 -1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -10.001 -12.484 -2.118 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.430 -13.742 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.803 -12.065 -2.651 1.00 0.00 H new ATOM 330 N VAL A 27 -7.282 -13.548 2.585 1.00 0.00 N ATOM 331 CA VAL A 27 -6.856 -14.609 3.483 1.00 0.00 C ATOM 332 C VAL A 27 -7.993 -14.939 4.452 1.00 0.00 C ATOM 333 O VAL A 27 -8.155 -16.089 4.856 1.00 0.00 O ATOM 334 CB VAL A 27 -5.563 -14.204 4.194 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.345 -14.456 3.302 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.619 -12.743 4.645 1.00 0.00 C ATOM 0 H VAL A 27 -7.266 -12.613 2.992 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.633 -15.517 2.923 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.462 -14.825 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.439 -14.160 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.290 -15.516 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.438 -13.872 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.688 -12.481 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.756 -12.099 3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.453 -12.606 5.333 1.00 0.00 H new ATOM 346 N THR A 28 -8.752 -13.908 4.797 1.00 0.00 N ATOM 347 CA THR A 28 -9.869 -14.074 5.711 1.00 0.00 C ATOM 348 C THR A 28 -11.180 -13.682 5.027 1.00 0.00 C ATOM 349 O THR A 28 -11.311 -13.804 3.810 1.00 0.00 O ATOM 350 CB THR A 28 -9.573 -13.260 6.972 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.753 -11.907 6.561 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.101 -13.332 7.384 1.00 0.00 C ATOM 0 H THR A 28 -8.615 -12.955 4.460 1.00 0.00 H new ATOM 0 HA THR A 28 -9.991 -15.117 6.002 1.00 0.00 H new ATOM 0 HB THR A 28 -10.196 -13.619 7.791 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.733 -11.321 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.946 -12.737 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.829 -14.369 7.583 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.478 -12.941 6.579 1.00 0.00 H new ATOM 360 N SER A 29 -12.118 -13.218 5.840 1.00 0.00 N ATOM 361 CA SER A 29 -13.415 -12.807 5.329 1.00 0.00 C ATOM 362 C SER A 29 -13.549 -11.285 5.408 1.00 0.00 C ATOM 363 O SER A 29 -14.349 -10.691 4.686 1.00 0.00 O ATOM 364 CB SER A 29 -14.550 -13.481 6.102 1.00 0.00 C ATOM 365 OG SER A 29 -14.077 -14.162 7.261 1.00 0.00 O ATOM 0 H SER A 29 -12.006 -13.118 6.849 1.00 0.00 H new ATOM 0 HA SER A 29 -13.487 -13.118 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.283 -12.730 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.062 -14.188 5.450 1.00 0.00 H new ATOM 0 HG SER A 29 -14.832 -14.577 7.727 1.00 0.00 H new ATOM 371 N GLN A 30 -12.755 -10.698 6.291 1.00 0.00 N ATOM 372 CA GLN A 30 -12.775 -9.256 6.473 1.00 0.00 C ATOM 373 C GLN A 30 -11.350 -8.700 6.467 1.00 0.00 C ATOM 374 O GLN A 30 -11.089 -7.644 7.042 1.00 0.00 O ATOM 375 CB GLN A 30 -13.507 -8.877 7.762 1.00 0.00 C ATOM 376 CG GLN A 30 -14.969 -9.325 7.715 1.00 0.00 C ATOM 377 CD GLN A 30 -15.555 -9.433 9.124 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.975 -10.488 9.570 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.558 -8.286 9.798 1.00 0.00 N ATOM 0 H GLN A 30 -12.094 -11.194 6.888 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.320 -8.811 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.009 -9.337 8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.458 -7.798 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.552 -8.615 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.042 -10.289 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.191 -7.439 9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.927 -8.254 10.748 1.00 0.00 H new ATOM 388 N SER A 31 -10.465 -9.436 5.811 1.00 0.00 N ATOM 389 CA SER A 31 -9.072 -9.029 5.723 1.00 0.00 C ATOM 390 C SER A 31 -8.442 -9.594 4.448 1.00 0.00 C ATOM 391 O SER A 31 -8.757 -10.710 4.037 1.00 0.00 O ATOM 392 CB SER A 31 -8.286 -9.489 6.952 1.00 0.00 C ATOM 393 OG SER A 31 -9.133 -10.058 7.946 1.00 0.00 O ATOM 0 H SER A 31 -10.685 -10.311 5.336 1.00 0.00 H new ATOM 0 HA SER A 31 -9.035 -7.940 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.538 -10.222 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.748 -8.641 7.376 1.00 0.00 H new ATOM 0 HG SER A 31 -8.683 -10.027 8.816 1.00 0.00 H new ATOM 399 N ILE A 32 -7.563 -8.797 3.858 1.00 0.00 N ATOM 400 CA ILE A 32 -6.886 -9.203 2.638 1.00 0.00 C ATOM 401 C ILE A 32 -5.374 -9.078 2.833 1.00 0.00 C ATOM 402 O ILE A 32 -4.917 -8.367 3.727 1.00 0.00 O ATOM 403 CB ILE A 32 -7.419 -8.414 1.441 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.892 -8.738 1.182 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.555 -8.649 0.200 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.526 -7.701 0.252 1.00 0.00 C ATOM 0 H ILE A 32 -7.304 -7.872 4.202 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.094 -10.250 2.418 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.359 -7.352 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.977 -9.730 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.434 -8.764 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.956 -8.076 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.533 -8.329 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.560 -9.710 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.573 -7.955 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.461 -6.714 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.997 -7.695 -0.701 1.00 0.00 H new ATOM 418 N GLN A 33 -4.639 -9.779 1.982 1.00 0.00 N ATOM 419 CA GLN A 33 -3.188 -9.755 2.050 1.00 0.00 C ATOM 420 C GLN A 33 -2.614 -8.981 0.862 1.00 0.00 C ATOM 421 O GLN A 33 -2.735 -9.414 -0.283 1.00 0.00 O ATOM 422 CB GLN A 33 -2.618 -11.174 2.107 1.00 0.00 C ATOM 423 CG GLN A 33 -1.093 -11.157 1.982 1.00 0.00 C ATOM 424 CD GLN A 33 -0.499 -12.523 2.334 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.190 -13.441 2.746 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.815 -12.605 2.150 1.00 0.00 N ATOM 0 H GLN A 33 -5.022 -10.367 1.242 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.895 -9.244 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.904 -11.647 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.046 -11.774 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.811 -10.885 0.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.679 -10.395 2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.333 -11.798 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.306 -13.475 2.357 1.00 0.00 H new ATOM 435 N VAL A 34 -2.001 -7.848 1.175 1.00 0.00 N ATOM 436 CA VAL A 34 -1.408 -7.009 0.148 1.00 0.00 C ATOM 437 C VAL A 34 0.108 -7.211 0.144 1.00 0.00 C ATOM 438 O VAL A 34 0.792 -6.828 1.092 1.00 0.00 O ATOM 439 CB VAL A 34 -1.817 -5.551 0.362 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.166 -4.640 -0.680 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.339 -5.400 0.348 1.00 0.00 C ATOM 0 H VAL A 34 -1.903 -7.492 2.126 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.776 -7.294 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.459 -5.244 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.474 -3.609 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.081 -4.714 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.479 -4.947 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.602 -4.354 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.729 -5.734 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.772 -6.004 1.145 1.00 0.00 H new ATOM 451 N THR A 35 0.591 -7.811 -0.935 1.00 0.00 N ATOM 452 CA THR A 35 2.014 -8.068 -1.075 1.00 0.00 C ATOM 453 C THR A 35 2.588 -7.266 -2.244 1.00 0.00 C ATOM 454 O THR A 35 1.930 -7.100 -3.270 1.00 0.00 O ATOM 455 CB THR A 35 2.210 -9.578 -1.219 1.00 0.00 C ATOM 456 OG1 THR A 35 1.092 -10.001 -1.996 1.00 0.00 O ATOM 457 CG2 THR A 35 2.043 -10.320 0.108 1.00 0.00 C ATOM 0 H THR A 35 0.022 -8.126 -1.720 1.00 0.00 H new ATOM 0 HA THR A 35 2.564 -7.737 -0.194 1.00 0.00 H new ATOM 0 HB THR A 35 3.202 -9.778 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.141 -10.969 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.192 -11.388 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.778 -9.954 0.825 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.040 -10.148 0.497 1.00 0.00 H new ATOM 465 N TRP A 36 3.809 -6.790 -2.051 1.00 0.00 N ATOM 466 CA TRP A 36 4.480 -6.009 -3.077 1.00 0.00 C ATOM 467 C TRP A 36 5.988 -6.126 -2.850 1.00 0.00 C ATOM 468 O TRP A 36 6.428 -6.549 -1.782 1.00 0.00 O ATOM 469 CB TRP A 36 3.984 -4.562 -3.076 1.00 0.00 C ATOM 470 CG TRP A 36 4.398 -3.764 -1.838 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.538 -3.091 -1.633 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.623 -3.582 -0.634 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.555 -2.491 -0.390 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.353 -2.799 0.237 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.347 -4.063 -0.292 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.892 -2.428 1.505 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.900 -3.684 0.980 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.623 -2.896 1.868 1.00 0.00 C ATOM 0 H TRP A 36 4.352 -6.930 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 36 4.248 -6.395 -4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.364 -4.058 -3.965 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.896 -4.561 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.343 -3.026 -2.350 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.311 -1.926 -0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.758 -4.676 -0.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.483 -1.814 2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.925 -4.028 1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.208 -2.646 2.833 1.00 0.00 H new ATOM 489 N LYS A 37 6.740 -5.742 -3.871 1.00 0.00 N ATOM 490 CA LYS A 37 8.190 -5.798 -3.796 1.00 0.00 C ATOM 491 C LYS A 37 8.766 -4.417 -4.118 1.00 0.00 C ATOM 492 O LYS A 37 8.142 -3.630 -4.828 1.00 0.00 O ATOM 493 CB LYS A 37 8.730 -6.914 -4.692 1.00 0.00 C ATOM 494 CG LYS A 37 8.503 -8.286 -4.055 1.00 0.00 C ATOM 495 CD LYS A 37 9.129 -9.395 -4.903 1.00 0.00 C ATOM 496 CE LYS A 37 10.600 -9.602 -4.536 1.00 0.00 C ATOM 497 NZ LYS A 37 10.854 -11.017 -4.187 1.00 0.00 N ATOM 0 H LYS A 37 6.372 -5.391 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 37 8.510 -6.050 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.239 -6.875 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.795 -6.762 -4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.934 -8.302 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.434 -8.467 -3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.579 -10.325 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.046 -9.140 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.234 -9.308 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.865 -8.961 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.857 -11.139 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.263 -11.286 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.621 -11.622 -5.000 1.00 0.00 H new ATOM 511 N ALA A 38 9.950 -4.166 -3.580 1.00 0.00 N ATOM 512 CA ALA A 38 10.618 -2.894 -3.802 1.00 0.00 C ATOM 513 C ALA A 38 10.423 -2.467 -5.258 1.00 0.00 C ATOM 514 O ALA A 38 10.438 -3.302 -6.161 1.00 0.00 O ATOM 515 CB ALA A 38 12.095 -3.021 -3.424 1.00 0.00 C ATOM 0 H ALA A 38 10.464 -4.821 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 38 10.185 -2.118 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.596 -2.068 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.179 -3.297 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.563 -3.789 -4.039 1.00 0.00 H new ATOM 521 N PRO A 39 10.239 -1.133 -5.446 1.00 0.00 N ATOM 522 CA PRO A 39 10.040 -0.585 -6.777 1.00 0.00 C ATOM 523 C PRO A 39 11.357 -0.548 -7.556 1.00 0.00 C ATOM 524 O PRO A 39 12.427 -0.751 -6.984 1.00 0.00 O ATOM 525 CB PRO A 39 9.446 0.796 -6.549 1.00 0.00 C ATOM 526 CG PRO A 39 9.764 1.154 -5.106 1.00 0.00 C ATOM 527 CD PRO A 39 10.214 -0.115 -4.400 1.00 0.00 C ATOM 0 HA PRO A 39 9.374 -1.194 -7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.877 1.525 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.370 0.792 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.546 1.912 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.886 1.574 -4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.197 0.011 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.527 -0.387 -3.599 1.00 0.00 H new ATOM 535 N LYS A 40 11.234 -0.288 -8.849 1.00 0.00 N ATOM 536 CA LYS A 40 12.401 -0.222 -9.713 1.00 0.00 C ATOM 537 C LYS A 40 13.533 0.499 -8.979 1.00 0.00 C ATOM 538 O LYS A 40 13.328 1.573 -8.415 1.00 0.00 O ATOM 539 CB LYS A 40 12.037 0.412 -11.057 1.00 0.00 C ATOM 540 CG LYS A 40 11.794 -0.660 -12.121 1.00 0.00 C ATOM 541 CD LYS A 40 10.379 -1.232 -12.009 1.00 0.00 C ATOM 542 CE LYS A 40 9.806 -1.551 -13.391 1.00 0.00 C ATOM 543 NZ LYS A 40 8.601 -0.733 -13.654 1.00 0.00 N ATOM 0 H LYS A 40 10.345 -0.121 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 40 12.760 -1.224 -9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.143 1.026 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.840 1.075 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.940 -0.233 -13.113 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.524 -1.461 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.395 -2.136 -11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.733 -0.517 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.558 -1.358 -14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.554 -2.610 -13.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.225 -0.962 -14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.879 -0.937 -12.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.851 0.276 -13.617 1.00 0.00 H new ATOM 557 N LYS A 41 14.704 -0.120 -9.010 1.00 0.00 N ATOM 558 CA LYS A 41 15.870 0.449 -8.355 1.00 0.00 C ATOM 559 C LYS A 41 16.040 1.903 -8.799 1.00 0.00 C ATOM 560 O LYS A 41 16.243 2.789 -7.971 1.00 0.00 O ATOM 561 CB LYS A 41 17.104 -0.419 -8.607 1.00 0.00 C ATOM 562 CG LYS A 41 18.279 0.032 -7.737 1.00 0.00 C ATOM 563 CD LYS A 41 18.818 -1.130 -6.900 1.00 0.00 C ATOM 564 CE LYS A 41 20.153 -0.762 -6.248 1.00 0.00 C ATOM 565 NZ LYS A 41 21.255 -1.548 -6.844 1.00 0.00 N ATOM 0 H LYS A 41 14.871 -1.010 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 41 15.732 0.459 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.869 -1.462 -8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.383 -0.363 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.073 0.429 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.960 0.841 -7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.094 -1.395 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.947 -2.009 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.346 0.303 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.104 -0.949 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.153 -1.286 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.076 -2.562 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.311 -1.349 -7.863 1.00 0.00 H new ATOM 579 N GLU A 42 15.950 2.104 -10.106 1.00 0.00 N ATOM 580 CA GLU A 42 16.091 3.435 -10.670 1.00 0.00 C ATOM 581 C GLU A 42 14.926 4.324 -10.230 1.00 0.00 C ATOM 582 O GLU A 42 15.040 5.549 -10.234 1.00 0.00 O ATOM 583 CB GLU A 42 16.190 3.376 -12.196 1.00 0.00 C ATOM 584 CG GLU A 42 14.874 2.899 -12.813 1.00 0.00 C ATOM 585 CD GLU A 42 15.082 2.433 -14.255 1.00 0.00 C ATOM 586 OE1 GLU A 42 15.615 3.244 -15.043 1.00 0.00 O ATOM 587 OE2 GLU A 42 14.703 1.276 -14.538 1.00 0.00 O ATOM 0 H GLU A 42 15.781 1.367 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 42 17.017 3.871 -10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.442 4.362 -12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.997 2.703 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.464 2.082 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.143 3.707 -12.790 1.00 0.00 H new ATOM 594 N LEU A 43 13.833 3.673 -9.862 1.00 0.00 N ATOM 595 CA LEU A 43 12.648 4.390 -9.421 1.00 0.00 C ATOM 596 C LEU A 43 12.502 4.239 -7.905 1.00 0.00 C ATOM 597 O LEU A 43 11.445 3.843 -7.416 1.00 0.00 O ATOM 598 CB LEU A 43 11.419 3.928 -10.206 1.00 0.00 C ATOM 599 CG LEU A 43 11.517 4.036 -11.729 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.161 3.768 -12.386 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.099 5.388 -12.147 1.00 0.00 C ATOM 0 H LEU A 43 13.742 2.657 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 43 12.748 5.455 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.217 2.889 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.560 4.512 -9.875 1.00 0.00 H new ATOM 0 HG LEU A 43 12.204 3.267 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.258 3.851 -13.468 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.824 2.764 -12.128 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.434 4.498 -12.030 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.158 5.438 -13.234 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.457 6.189 -11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.097 5.501 -11.724 1.00 0.00 H new ATOM 613 N GLN A 44 13.578 4.564 -7.204 1.00 0.00 N ATOM 614 CA GLN A 44 13.582 4.469 -5.754 1.00 0.00 C ATOM 615 C GLN A 44 13.899 5.832 -5.134 1.00 0.00 C ATOM 616 O GLN A 44 13.213 6.274 -4.214 1.00 0.00 O ATOM 617 CB GLN A 44 14.574 3.406 -5.276 1.00 0.00 C ATOM 618 CG GLN A 44 13.860 2.088 -4.972 1.00 0.00 C ATOM 619 CD GLN A 44 14.660 1.249 -3.974 1.00 0.00 C ATOM 620 OE1 GLN A 44 14.933 1.658 -2.857 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.020 0.055 -4.437 1.00 0.00 N ATOM 0 H GLN A 44 14.453 4.893 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 44 12.588 4.164 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.335 3.244 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.089 3.759 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.868 2.292 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.719 1.525 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.759 -0.225 -5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.557 -0.580 -3.847 1.00 0.00 H new ATOM 630 N ASN A 45 14.939 6.460 -5.664 1.00 0.00 N ATOM 631 CA ASN A 45 15.354 7.764 -5.175 1.00 0.00 C ATOM 632 C ASN A 45 15.731 7.652 -3.696 1.00 0.00 C ATOM 633 O ASN A 45 15.104 8.278 -2.843 1.00 0.00 O ATOM 634 CB ASN A 45 14.222 8.785 -5.299 1.00 0.00 C ATOM 635 CG ASN A 45 14.139 9.342 -6.721 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.099 9.335 -7.475 1.00 0.00 O ATOM 637 ND2 ASN A 45 12.942 9.822 -7.045 1.00 0.00 N ATOM 0 H ASN A 45 15.506 6.090 -6.427 1.00 0.00 H new ATOM 0 HA ASN A 45 16.203 8.094 -5.773 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.275 8.317 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.384 9.600 -4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.784 10.215 -7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.182 9.797 -6.366 1.00 0.00 H new ATOM 644 N GLY A 46 16.753 6.850 -3.438 1.00 0.00 N ATOM 645 CA GLY A 46 17.221 6.648 -2.077 1.00 0.00 C ATOM 646 C GLY A 46 16.416 5.550 -1.378 1.00 0.00 C ATOM 647 O GLY A 46 15.378 5.122 -1.879 1.00 0.00 O ATOM 0 H GLY A 46 17.270 6.332 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.277 6.379 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.135 7.579 -1.517 1.00 0.00 H new ATOM 651 N VAL A 47 16.927 5.126 -0.231 1.00 0.00 N ATOM 652 CA VAL A 47 16.269 4.086 0.542 1.00 0.00 C ATOM 653 C VAL A 47 14.804 4.470 0.762 1.00 0.00 C ATOM 654 O VAL A 47 14.424 5.622 0.560 1.00 0.00 O ATOM 655 CB VAL A 47 17.027 3.846 1.849 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.285 2.847 2.738 1.00 0.00 C ATOM 657 CG2 VAL A 47 18.458 3.379 1.575 1.00 0.00 C ATOM 0 H VAL A 47 17.789 5.484 0.181 1.00 0.00 H new ATOM 0 HA VAL A 47 16.280 3.141 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 47 17.081 4.794 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.845 2.695 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.295 3.236 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.185 1.897 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 47 18.975 3.216 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.435 2.448 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 47 18.985 4.140 1.000 1.00 0.00 H new ATOM 667 N ILE A 48 14.022 3.483 1.174 1.00 0.00 N ATOM 668 CA ILE A 48 12.608 3.703 1.424 1.00 0.00 C ATOM 669 C ILE A 48 12.320 3.498 2.913 1.00 0.00 C ATOM 670 O ILE A 48 12.765 2.516 3.505 1.00 0.00 O ATOM 671 CB ILE A 48 11.758 2.822 0.506 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.278 2.867 -0.932 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.280 3.205 0.594 1.00 0.00 C ATOM 674 CD1 ILE A 48 11.785 4.122 -1.654 1.00 0.00 C ATOM 0 H ILE A 48 14.341 2.529 1.341 1.00 0.00 H new ATOM 0 HA ILE A 48 12.334 4.730 1.184 1.00 0.00 H new ATOM 0 HB ILE A 48 11.844 1.790 0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.368 2.849 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.946 1.979 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.698 2.564 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.932 3.079 1.619 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.155 4.245 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.169 4.129 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.695 4.124 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.139 5.008 -1.127 1.00 0.00 H new ATOM 686 N ARG A 49 11.577 4.440 3.474 1.00 0.00 N ATOM 687 CA ARG A 49 11.224 4.375 4.883 1.00 0.00 C ATOM 688 C ARG A 49 10.028 3.442 5.087 1.00 0.00 C ATOM 689 O ARG A 49 9.901 2.812 6.136 1.00 0.00 O ATOM 690 CB ARG A 49 10.880 5.762 5.429 1.00 0.00 C ATOM 691 CG ARG A 49 12.072 6.712 5.302 1.00 0.00 C ATOM 692 CD ARG A 49 13.141 6.393 6.349 1.00 0.00 C ATOM 693 NE ARG A 49 13.845 7.633 6.748 1.00 0.00 N ATOM 694 CZ ARG A 49 14.690 7.716 7.784 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.943 6.633 8.532 1.00 0.00 N ATOM 696 NH2 ARG A 49 15.283 8.883 8.073 1.00 0.00 N ATOM 0 H ARG A 49 11.209 5.253 2.979 1.00 0.00 H new ATOM 0 HA ARG A 49 12.087 3.989 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.027 6.169 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.584 5.682 6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.501 6.632 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.735 7.742 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.680 5.930 7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.854 5.674 5.945 1.00 0.00 H new ATOM 0 HE ARG A 49 13.676 8.476 6.200 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.492 5.745 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.587 6.697 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.091 9.707 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.926 8.946 8.862 1.00 0.00 H new ATOM 710 N GLY A 50 9.183 3.384 4.069 1.00 0.00 N ATOM 711 CA GLY A 50 8.002 2.539 4.124 1.00 0.00 C ATOM 712 C GLY A 50 7.091 2.791 2.921 1.00 0.00 C ATOM 713 O GLY A 50 7.393 3.630 2.074 1.00 0.00 O ATOM 0 H GLY A 50 9.292 3.908 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.301 1.491 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.454 2.733 5.046 1.00 0.00 H new ATOM 717 N TYR A 51 5.994 2.048 2.884 1.00 0.00 N ATOM 718 CA TYR A 51 5.037 2.181 1.799 1.00 0.00 C ATOM 719 C TYR A 51 3.609 2.293 2.338 1.00 0.00 C ATOM 720 O TYR A 51 3.234 1.576 3.265 1.00 0.00 O ATOM 721 CB TYR A 51 5.158 0.900 0.972 1.00 0.00 C ATOM 722 CG TYR A 51 6.510 0.735 0.274 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.661 0.603 1.023 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.578 0.719 -1.104 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.934 0.448 0.366 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.850 0.564 -1.761 1.00 0.00 C ATOM 727 CZ TYR A 51 8.965 0.436 -0.993 1.00 0.00 C ATOM 728 OH TYR A 51 10.166 0.290 -1.613 1.00 0.00 O ATOM 0 H TYR A 51 5.747 1.352 3.588 1.00 0.00 H new ATOM 0 HA TYR A 51 5.242 3.078 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.990 0.042 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.369 0.889 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.608 0.616 2.102 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.677 0.823 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.843 0.344 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.917 0.550 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 51 10.497 -0.622 -1.475 1.00 0.00 H new ATOM 738 N GLN A 52 2.852 3.196 1.734 1.00 0.00 N ATOM 739 CA GLN A 52 1.474 3.411 2.141 1.00 0.00 C ATOM 740 C GLN A 52 0.551 2.413 1.440 1.00 0.00 C ATOM 741 O GLN A 52 0.776 2.061 0.283 1.00 0.00 O ATOM 742 CB GLN A 52 1.038 4.851 1.862 1.00 0.00 C ATOM 743 CG GLN A 52 1.457 5.782 3.001 1.00 0.00 C ATOM 744 CD GLN A 52 0.906 7.193 2.787 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.459 7.556 1.711 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.963 7.966 3.868 1.00 0.00 N ATOM 0 H GLN A 52 3.167 3.788 0.965 1.00 0.00 H new ATOM 0 HA GLN A 52 1.404 3.247 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.480 5.194 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.044 4.889 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.095 5.387 3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.545 5.818 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.350 7.599 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.620 8.926 3.827 1.00 0.00 H new ATOM 755 N ILE A 53 -0.468 1.984 2.169 1.00 0.00 N ATOM 756 CA ILE A 53 -1.426 1.033 1.632 1.00 0.00 C ATOM 757 C ILE A 53 -2.840 1.594 1.791 1.00 0.00 C ATOM 758 O ILE A 53 -3.457 1.443 2.845 1.00 0.00 O ATOM 759 CB ILE A 53 -1.234 -0.342 2.274 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.190 -0.857 2.053 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.286 -1.334 1.773 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.128 -0.366 3.157 1.00 0.00 C ATOM 0 H ILE A 53 -0.651 2.278 3.128 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.259 0.887 0.565 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.376 -0.238 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.187 -1.947 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.556 -0.520 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.126 -2.303 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.281 -0.967 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.201 -1.439 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.133 -0.746 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.147 0.724 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.773 -0.725 4.123 1.00 0.00 H new ATOM 774 N GLY A 54 -3.314 2.230 0.729 1.00 0.00 N ATOM 775 CA GLY A 54 -4.644 2.814 0.738 1.00 0.00 C ATOM 776 C GLY A 54 -5.678 1.833 0.182 1.00 0.00 C ATOM 777 O GLY A 54 -5.551 1.368 -0.950 1.00 0.00 O ATOM 0 H GLY A 54 -2.800 2.353 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.915 3.095 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.648 3.728 0.143 1.00 0.00 H new ATOM 781 N TYR A 55 -6.677 1.548 1.003 1.00 0.00 N ATOM 782 CA TYR A 55 -7.732 0.631 0.608 1.00 0.00 C ATOM 783 C TYR A 55 -9.112 1.223 0.900 1.00 0.00 C ATOM 784 O TYR A 55 -9.303 1.890 1.916 1.00 0.00 O ATOM 785 CB TYR A 55 -7.540 -0.626 1.459 1.00 0.00 C ATOM 786 CG TYR A 55 -7.765 -0.404 2.956 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.812 0.254 3.707 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.920 -0.862 3.555 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.024 0.463 5.116 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.132 -0.653 4.964 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.174 -0.001 5.675 1.00 0.00 C ATOM 792 OH TYR A 55 -8.374 0.196 7.005 1.00 0.00 O ATOM 0 H TYR A 55 -6.778 1.936 1.941 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.679 0.425 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.226 -1.397 1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.530 -1.005 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.907 0.612 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.665 -1.377 2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.287 0.976 5.715 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.032 -1.006 5.445 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.237 -0.187 7.266 1.00 0.00 H new ATOM 802 N ARG A 56 -10.039 0.959 -0.010 1.00 0.00 N ATOM 803 CA ARG A 56 -11.396 1.458 0.137 1.00 0.00 C ATOM 804 C ARG A 56 -12.370 0.588 -0.659 1.00 0.00 C ATOM 805 O ARG A 56 -12.019 0.063 -1.715 1.00 0.00 O ATOM 806 CB ARG A 56 -11.505 2.906 -0.343 1.00 0.00 C ATOM 807 CG ARG A 56 -11.054 3.036 -1.799 1.00 0.00 C ATOM 808 CD ARG A 56 -12.065 3.845 -2.616 1.00 0.00 C ATOM 809 NE ARG A 56 -11.958 3.489 -4.049 1.00 0.00 N ATOM 810 CZ ARG A 56 -12.856 3.840 -4.979 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.934 4.557 -4.633 1.00 0.00 N ATOM 812 NH2 ARG A 56 -12.677 3.473 -6.255 1.00 0.00 N ATOM 0 H ARG A 56 -9.877 0.406 -0.852 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.651 1.419 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.535 3.249 -0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.894 3.550 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.078 3.520 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.937 2.045 -2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.075 3.648 -2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.882 4.911 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.150 2.942 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.071 4.836 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.618 4.824 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.857 2.926 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.361 3.740 -6.963 1.00 0.00 H new ATOM 826 N GLU A 57 -13.576 0.464 -0.124 1.00 0.00 N ATOM 827 CA GLU A 57 -14.604 -0.333 -0.772 1.00 0.00 C ATOM 828 C GLU A 57 -14.698 0.028 -2.256 1.00 0.00 C ATOM 829 O GLU A 57 -14.786 1.204 -2.608 1.00 0.00 O ATOM 830 CB GLU A 57 -15.955 -0.154 -0.077 1.00 0.00 C ATOM 831 CG GLU A 57 -16.753 -1.460 -0.087 1.00 0.00 C ATOM 832 CD GLU A 57 -18.258 -1.183 -0.073 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.626 -0.031 -0.389 1.00 0.00 O ATOM 834 OE2 GLU A 57 -19.006 -2.129 0.254 1.00 0.00 O ATOM 0 H GLU A 57 -13.864 0.902 0.751 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.327 -1.384 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.799 0.173 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.525 0.629 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.495 -2.041 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.482 -2.062 0.780 1.00 0.00 H new ATOM 936 N TYR A 66 -9.597 6.821 0.674 1.00 0.00 N ATOM 937 CA TYR A 66 -8.757 5.643 0.810 1.00 0.00 C ATOM 938 C TYR A 66 -8.043 5.633 2.163 1.00 0.00 C ATOM 939 O TYR A 66 -7.265 6.536 2.466 1.00 0.00 O ATOM 940 CB TYR A 66 -7.712 5.740 -0.303 1.00 0.00 C ATOM 941 CG TYR A 66 -8.135 5.072 -1.613 1.00 0.00 C ATOM 942 CD1 TYR A 66 -8.902 5.766 -2.526 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.749 3.774 -1.882 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.300 5.138 -3.759 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.148 3.145 -3.114 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.903 3.858 -3.992 1.00 0.00 C ATOM 947 OH TYR A 66 -9.279 3.264 -5.156 1.00 0.00 O ATOM 0 HA TYR A 66 -9.356 4.735 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.498 6.791 -0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.784 5.284 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.204 6.781 -2.316 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.148 3.230 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.900 5.671 -4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.854 2.130 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.923 2.351 -5.187 1.00 0.00 H new ATOM 957 N SER A 67 -8.333 4.600 2.941 1.00 0.00 N ATOM 958 CA SER A 67 -7.728 4.460 4.255 1.00 0.00 C ATOM 959 C SER A 67 -6.228 4.195 4.115 1.00 0.00 C ATOM 960 O SER A 67 -5.820 3.094 3.748 1.00 0.00 O ATOM 961 CB SER A 67 -8.394 3.335 5.051 1.00 0.00 C ATOM 962 OG SER A 67 -9.765 3.613 5.323 1.00 0.00 O ATOM 0 H SER A 67 -8.979 3.852 2.687 1.00 0.00 H new ATOM 0 HA SER A 67 -7.876 5.392 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.317 2.402 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.860 3.190 5.990 1.00 0.00 H new ATOM 0 HG SER A 67 -10.155 2.871 5.831 1.00 0.00 H new ATOM 968 N ILE A 68 -5.448 5.222 4.415 1.00 0.00 N ATOM 969 CA ILE A 68 -4.001 5.114 4.328 1.00 0.00 C ATOM 970 C ILE A 68 -3.461 4.495 5.618 1.00 0.00 C ATOM 971 O ILE A 68 -3.964 4.778 6.705 1.00 0.00 O ATOM 972 CB ILE A 68 -3.382 6.472 3.991 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.790 6.929 2.589 1.00 0.00 C ATOM 974 CG2 ILE A 68 -1.862 6.439 4.163 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.389 5.894 1.537 1.00 0.00 C ATOM 0 H ILE A 68 -5.790 6.134 4.719 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.717 4.449 3.512 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.770 7.208 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.868 7.090 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.318 7.885 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.447 7.416 3.917 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.618 6.190 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.437 5.687 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.690 6.243 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.308 5.754 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.882 4.946 1.753 1.00 0.00 H new ATOM 987 N VAL A 69 -2.445 3.661 5.456 1.00 0.00 N ATOM 988 CA VAL A 69 -1.831 2.999 6.595 1.00 0.00 C ATOM 989 C VAL A 69 -0.309 3.071 6.462 1.00 0.00 C ATOM 990 O VAL A 69 0.265 2.494 5.539 1.00 0.00 O ATOM 991 CB VAL A 69 -2.354 1.566 6.712 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.498 1.481 7.724 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.788 1.028 5.347 1.00 0.00 C ATOM 0 H VAL A 69 -2.031 3.428 4.553 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.100 3.506 7.522 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.539 0.940 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.851 0.452 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.143 1.804 8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.316 2.126 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.156 0.008 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.581 1.657 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.937 1.035 4.666 1.00 0.00 H new ATOM 1003 N GLU A 70 0.303 3.783 7.396 1.00 0.00 N ATOM 1004 CA GLU A 70 1.747 3.938 7.395 1.00 0.00 C ATOM 1005 C GLU A 70 2.414 2.700 7.998 1.00 0.00 C ATOM 1006 O GLU A 70 1.931 2.149 8.986 1.00 0.00 O ATOM 1007 CB GLU A 70 2.164 5.205 8.144 1.00 0.00 C ATOM 1008 CG GLU A 70 3.617 5.112 8.613 1.00 0.00 C ATOM 1009 CD GLU A 70 4.275 6.493 8.640 1.00 0.00 C ATOM 1010 OE1 GLU A 70 4.020 7.262 7.688 1.00 0.00 O ATOM 1011 OE2 GLU A 70 5.017 6.750 9.613 1.00 0.00 O ATOM 0 H GLU A 70 -0.176 4.260 8.160 1.00 0.00 H new ATOM 0 HA GLU A 70 2.081 4.040 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.043 6.072 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.510 5.356 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.654 4.668 9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.175 4.452 7.949 1.00 0.00 H new ATOM 1018 N MET A 71 3.515 2.299 7.378 1.00 0.00 N ATOM 1019 CA MET A 71 4.253 1.136 7.842 1.00 0.00 C ATOM 1020 C MET A 71 5.755 1.314 7.614 1.00 0.00 C ATOM 1021 O MET A 71 6.191 2.342 7.097 1.00 0.00 O ATOM 1022 CB MET A 71 3.767 -0.108 7.096 1.00 0.00 C ATOM 1023 CG MET A 71 4.054 0.004 5.597 1.00 0.00 C ATOM 1024 SD MET A 71 5.717 -0.543 5.251 1.00 0.00 S ATOM 1025 CE MET A 71 5.371 -2.097 4.445 1.00 0.00 C ATOM 0 H MET A 71 3.913 2.758 6.559 1.00 0.00 H new ATOM 0 HA MET A 71 4.078 1.020 8.912 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.259 -0.993 7.499 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.697 -0.237 7.256 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.340 -0.599 5.036 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.926 1.036 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.739 -2.917 5.062 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.295 -2.203 4.305 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.867 -2.122 3.475 1.00 0.00 H new ATOM 1035 N LYS A 72 6.506 0.297 8.011 1.00 0.00 N ATOM 1036 CA LYS A 72 7.950 0.328 7.856 1.00 0.00 C ATOM 1037 C LYS A 72 8.379 -0.774 6.885 1.00 0.00 C ATOM 1038 O LYS A 72 7.701 -1.793 6.759 1.00 0.00 O ATOM 1039 CB LYS A 72 8.637 0.246 9.221 1.00 0.00 C ATOM 1040 CG LYS A 72 8.370 -1.103 9.890 1.00 0.00 C ATOM 1041 CD LYS A 72 9.679 -1.830 10.201 1.00 0.00 C ATOM 1042 CE LYS A 72 10.020 -1.732 11.689 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.485 -3.041 12.202 1.00 0.00 N ATOM 0 H LYS A 72 6.141 -0.554 8.440 1.00 0.00 H new ATOM 0 HA LYS A 72 8.266 1.277 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.711 0.390 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.277 1.051 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.807 -0.951 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.753 -1.721 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.595 -2.878 9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.487 -1.400 9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.793 -0.979 11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.143 -1.406 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.712 -2.957 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.735 -3.750 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.334 -3.337 11.680 1.00 0.00 H new ATOM 1057 N ALA A 73 9.502 -0.533 6.224 1.00 0.00 N ATOM 1058 CA ALA A 73 10.029 -1.492 5.269 1.00 0.00 C ATOM 1059 C ALA A 73 10.815 -2.571 6.017 1.00 0.00 C ATOM 1060 O ALA A 73 11.779 -2.268 6.717 1.00 0.00 O ATOM 1061 CB ALA A 73 10.883 -0.763 4.231 1.00 0.00 C ATOM 0 H ALA A 73 10.061 0.313 6.331 1.00 0.00 H new ATOM 0 HA ALA A 73 9.218 -1.986 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.278 -1.483 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.271 -0.029 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.709 -0.257 4.730 1.00 0.00 H new ATOM 1067 N THR A 74 10.373 -3.808 5.842 1.00 0.00 N ATOM 1068 CA THR A 74 11.023 -4.934 6.492 1.00 0.00 C ATOM 1069 C THR A 74 11.992 -5.619 5.526 1.00 0.00 C ATOM 1070 O THR A 74 12.432 -6.741 5.775 1.00 0.00 O ATOM 1071 CB THR A 74 9.934 -5.867 7.024 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.324 -6.393 5.848 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.803 -5.108 7.722 1.00 0.00 C ATOM 0 H THR A 74 9.573 -4.055 5.260 1.00 0.00 H new ATOM 0 HA THR A 74 11.630 -4.607 7.336 1.00 0.00 H new ATOM 0 HB THR A 74 10.375 -6.581 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.606 -7.011 6.100 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.057 -5.817 8.081 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.207 -4.548 8.566 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.339 -4.418 7.017 1.00 0.00 H new ATOM 1081 N GLY A 75 12.297 -4.916 4.445 1.00 0.00 N ATOM 1082 CA GLY A 75 13.206 -5.443 3.442 1.00 0.00 C ATOM 1083 C GLY A 75 12.769 -5.030 2.035 1.00 0.00 C ATOM 1084 O GLY A 75 12.020 -4.067 1.871 1.00 0.00 O ATOM 0 H GLY A 75 11.931 -3.986 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.216 -5.080 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.240 -6.530 3.512 1.00 0.00 H new ATOM 1088 N ASP A 76 13.255 -5.777 1.055 1.00 0.00 N ATOM 1089 CA ASP A 76 12.924 -5.501 -0.332 1.00 0.00 C ATOM 1090 C ASP A 76 11.451 -5.836 -0.577 1.00 0.00 C ATOM 1091 O ASP A 76 10.802 -5.217 -1.419 1.00 0.00 O ATOM 1092 CB ASP A 76 13.767 -6.355 -1.281 1.00 0.00 C ATOM 1093 CG ASP A 76 15.243 -6.481 -0.898 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.013 -5.582 -1.302 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.569 -7.472 -0.210 1.00 0.00 O ATOM 0 H ASP A 76 13.876 -6.574 1.194 1.00 0.00 H new ATOM 0 HA ASP A 76 13.124 -4.447 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.333 -7.354 -1.329 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.702 -5.930 -2.283 1.00 0.00 H new ATOM 1100 N SER A 77 10.967 -6.815 0.173 1.00 0.00 N ATOM 1101 CA SER A 77 9.584 -7.240 0.048 1.00 0.00 C ATOM 1102 C SER A 77 8.796 -6.831 1.294 1.00 0.00 C ATOM 1103 O SER A 77 9.288 -6.960 2.414 1.00 0.00 O ATOM 1104 CB SER A 77 9.489 -8.751 -0.167 1.00 0.00 C ATOM 1105 OG SER A 77 10.142 -9.480 0.869 1.00 0.00 O ATOM 0 H SER A 77 11.509 -7.326 0.870 1.00 0.00 H new ATOM 0 HA SER A 77 9.153 -6.748 -0.824 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.441 -9.046 -0.212 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.934 -9.009 -1.128 1.00 0.00 H new ATOM 0 HG SER A 77 10.057 -10.441 0.696 1.00 0.00 H new ATOM 1111 N GLU A 78 7.586 -6.345 1.057 1.00 0.00 N ATOM 1112 CA GLU A 78 6.725 -5.916 2.147 1.00 0.00 C ATOM 1113 C GLU A 78 5.300 -6.429 1.931 1.00 0.00 C ATOM 1114 O GLU A 78 4.907 -6.724 0.803 1.00 0.00 O ATOM 1115 CB GLU A 78 6.744 -4.393 2.293 1.00 0.00 C ATOM 1116 CG GLU A 78 8.177 -3.873 2.422 1.00 0.00 C ATOM 1117 CD GLU A 78 8.545 -2.980 1.234 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.385 -3.462 0.092 1.00 0.00 O ATOM 1119 OE2 GLU A 78 8.977 -1.837 1.496 1.00 0.00 O ATOM 0 H GLU A 78 7.181 -6.239 0.127 1.00 0.00 H new ATOM 0 HA GLU A 78 7.106 -6.342 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.264 -3.935 1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.167 -4.101 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.282 -3.311 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.869 -4.713 2.478 1.00 0.00 H new ATOM 1126 N VAL A 79 4.565 -6.519 3.029 1.00 0.00 N ATOM 1127 CA VAL A 79 3.192 -6.991 2.974 1.00 0.00 C ATOM 1128 C VAL A 79 2.386 -6.337 4.099 1.00 0.00 C ATOM 1129 O VAL A 79 2.942 -5.972 5.134 1.00 0.00 O ATOM 1130 CB VAL A 79 3.161 -8.519 3.028 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.775 -9.035 4.331 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.736 -9.046 2.848 1.00 0.00 C ATOM 0 H VAL A 79 4.894 -6.273 3.963 1.00 0.00 H new ATOM 0 HA VAL A 79 2.727 -6.703 2.031 1.00 0.00 H new ATOM 0 HB VAL A 79 3.764 -8.895 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.740 -10.124 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.811 -8.704 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.212 -8.644 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.743 -10.135 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.101 -8.656 3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.348 -8.723 1.882 1.00 0.00 H new ATOM 1142 N TYR A 80 1.090 -6.208 3.858 1.00 0.00 N ATOM 1143 CA TYR A 80 0.203 -5.605 4.837 1.00 0.00 C ATOM 1144 C TYR A 80 -1.174 -6.271 4.814 1.00 0.00 C ATOM 1145 O TYR A 80 -1.833 -6.307 3.776 1.00 0.00 O ATOM 1146 CB TYR A 80 0.054 -4.139 4.425 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.383 -3.213 5.563 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.690 -3.233 6.005 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.531 -2.359 6.146 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.101 -2.363 7.076 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.119 -1.488 7.217 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.176 -1.533 7.629 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.564 -0.711 8.640 1.00 0.00 O ATOM 0 H TYR A 80 0.633 -6.511 2.998 1.00 0.00 H new ATOM 0 HA TYR A 80 0.609 -5.718 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.006 -3.785 4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.674 -4.072 3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.405 -3.901 5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.554 -2.344 5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.121 -2.369 7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.823 -0.814 7.682 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.850 -0.067 8.831 1.00 0.00 H new ATOM 1163 N THR A 81 -1.569 -6.781 5.971 1.00 0.00 N ATOM 1164 CA THR A 81 -2.856 -7.444 6.097 1.00 0.00 C ATOM 1165 C THR A 81 -3.950 -6.427 6.427 1.00 0.00 C ATOM 1166 O THR A 81 -4.175 -6.108 7.594 1.00 0.00 O ATOM 1167 CB THR A 81 -2.718 -8.550 7.145 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.879 -9.517 6.521 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.032 -9.295 7.386 1.00 0.00 C ATOM 0 H THR A 81 -1.020 -6.749 6.830 1.00 0.00 H new ATOM 0 HA THR A 81 -3.157 -7.904 5.156 1.00 0.00 H new ATOM 0 HB THR A 81 -2.368 -8.119 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.736 -10.269 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.879 -10.069 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.789 -8.593 7.736 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.366 -9.754 6.456 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.601 -5.945 5.379 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.666 -4.970 5.543 1.00 0.00 C ATOM 1179 C LEU A 82 -6.921 -5.675 6.061 1.00 0.00 C ATOM 1180 O LEU A 82 -7.583 -6.398 5.318 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.888 -4.195 4.242 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.723 -3.321 3.775 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.845 -2.995 2.285 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.608 -2.058 4.630 1.00 0.00 C ATOM 0 H LEU A 82 -4.412 -6.211 4.413 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.389 -4.224 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.120 -4.909 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.766 -3.560 4.366 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.799 -3.884 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.004 -2.373 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.841 -3.920 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.777 -2.460 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.772 -1.454 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.530 -1.481 4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.440 -2.337 5.670 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.212 -5.439 7.332 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.376 -6.042 7.958 1.00 0.00 C ATOM 1198 C ASP A 83 -9.486 -4.996 8.076 1.00 0.00 C ATOM 1199 O ASP A 83 -9.376 -3.904 7.520 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.047 -6.543 9.366 1.00 0.00 C ATOM 1201 CG ASP A 83 -8.896 -7.720 9.848 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -10.074 -7.470 10.184 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -8.349 -8.844 9.870 1.00 0.00 O ATOM 0 H ASP A 83 -6.661 -4.838 7.945 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.693 -6.883 7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.997 -6.836 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.167 -5.717 10.067 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.529 -5.366 8.804 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.658 -4.473 9.002 1.00 0.00 C ATOM 1210 C ASN A 84 -12.307 -4.170 7.649 1.00 0.00 C ATOM 1211 O ASN A 84 -12.491 -3.008 7.291 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.210 -3.146 9.618 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.223 -3.219 11.146 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -11.923 -4.016 11.749 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.412 -2.346 11.737 1.00 0.00 N ATOM 0 H ASN A 84 -10.616 -6.272 9.264 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.361 -4.964 9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.207 -2.900 9.271 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.869 -2.345 9.283 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.349 -2.316 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.853 -1.706 11.173 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.636 -5.237 6.935 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.261 -5.100 5.631 1.00 0.00 C ATOM 1224 C LEU A 85 -14.672 -5.690 5.681 1.00 0.00 C ATOM 1225 O LEU A 85 -15.179 -6.005 6.756 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.375 -5.716 4.546 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.887 -5.367 4.616 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.115 -6.021 3.469 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.681 -3.851 4.654 1.00 0.00 C ATOM 0 H LEU A 85 -12.481 -6.199 7.235 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.365 -4.048 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.476 -6.800 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.756 -5.404 3.574 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.485 -5.771 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.060 -5.756 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.223 -7.104 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.511 -5.669 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.615 -3.630 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.103 -3.404 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.178 -3.438 5.532 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.266 -5.821 4.504 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.608 -6.367 4.400 1.00 0.00 C ATOM 1243 C LYS A 86 -16.524 -7.847 4.023 1.00 0.00 C ATOM 1244 O LYS A 86 -15.445 -8.354 3.719 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.453 -5.533 3.434 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.667 -4.932 4.146 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.887 -5.845 4.016 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.058 -5.107 3.364 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.316 -5.387 4.092 1.00 0.00 N ATOM 0 H LYS A 86 -14.842 -5.558 3.614 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.117 -6.311 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.844 -4.735 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.785 -6.157 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.435 -4.777 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.894 -3.954 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.628 -6.721 3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.183 -6.205 5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.863 -4.035 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.156 -5.416 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -23.101 -4.879 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.508 -6.409 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -22.224 -5.070 5.078 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.677 -8.500 4.055 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.747 -9.912 3.720 1.00 0.00 C ATOM 1265 C LYS A 87 -18.307 -10.069 2.305 1.00 0.00 C ATOM 1266 O LYS A 87 -19.408 -9.603 2.014 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.539 -10.676 4.783 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.714 -10.853 6.060 1.00 0.00 C ATOM 1269 CD LYS A 87 -18.619 -11.125 7.264 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.676 -12.620 7.581 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.402 -12.854 8.849 1.00 0.00 N ATOM 0 H LYS A 87 -18.570 -8.077 4.308 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.750 -10.353 3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.459 -10.139 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.828 -11.652 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.013 -11.678 5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.121 -9.957 6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.249 -10.580 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.623 -10.755 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.171 -13.151 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.665 -13.021 7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.431 -13.874 9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.913 -12.363 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.372 -12.490 8.766 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.524 -10.727 1.463 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.928 -10.951 0.085 1.00 0.00 C ATOM 1287 C PHE A 88 -18.204 -9.626 -0.628 1.00 0.00 C ATOM 1288 O PHE A 88 -19.327 -9.373 -1.062 1.00 0.00 O ATOM 1289 CB PHE A 88 -19.218 -11.773 0.126 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.575 -12.436 -1.206 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.613 -13.066 -1.932 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.855 -12.395 -1.665 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.945 -13.681 -3.168 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -21.187 -13.009 -2.901 1.00 0.00 C ATOM 1295 CZ PHE A 88 -20.225 -13.640 -3.627 1.00 0.00 C ATOM 0 H PHE A 88 -16.612 -11.112 1.708 1.00 0.00 H new ATOM 0 HA PHE A 88 -17.134 -11.465 -0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.121 -12.545 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -20.040 -11.125 0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.597 -13.099 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.619 -11.895 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -18.181 -14.182 -3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -22.203 -12.975 -3.265 1.00 0.00 H new ATOM 0 HZ PHE A 88 -20.477 -14.108 -4.567 1.00 0.00 H new ATOM 1305 N ALA A 89 -17.161 -8.815 -0.726 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.277 -7.522 -1.379 1.00 0.00 C ATOM 1307 C ALA A 89 -15.938 -7.161 -2.027 1.00 0.00 C ATOM 1308 O ALA A 89 -14.879 -7.457 -1.477 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.733 -6.475 -0.361 1.00 0.00 C ATOM 0 H ALA A 89 -16.231 -9.028 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.027 -7.557 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.820 -5.505 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.701 -6.763 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -17.003 -6.410 0.446 1.00 0.00 H new ATOM 1315 N GLN A 90 -16.031 -6.527 -3.187 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.840 -6.123 -3.915 1.00 0.00 C ATOM 1317 C GLN A 90 -14.222 -4.880 -3.272 1.00 0.00 C ATOM 1318 O GLN A 90 -14.938 -3.976 -2.845 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.158 -5.876 -5.391 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.915 -5.403 -6.148 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.223 -5.198 -7.633 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.587 -4.121 -8.074 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.056 -6.288 -8.376 1.00 0.00 N ATOM 0 H GLN A 90 -16.912 -6.283 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.113 -6.934 -3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.537 -6.792 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.947 -5.129 -5.477 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.554 -4.470 -5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.116 -6.136 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.749 -7.159 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.235 -6.254 -9.380 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.898 -4.874 -3.225 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.174 -3.757 -2.642 1.00 0.00 C ATOM 1334 C TYR A 91 -10.929 -3.420 -3.465 1.00 0.00 C ATOM 1335 O TYR A 91 -10.176 -4.312 -3.851 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.741 -4.216 -1.248 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.706 -3.813 -0.132 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -13.767 -4.634 0.193 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -12.516 -2.629 0.551 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -14.676 -4.254 1.244 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -13.425 -2.249 1.602 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.459 -3.081 1.896 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.317 -2.722 2.889 1.00 0.00 O ATOM 0 H TYR A 91 -12.307 -5.625 -3.581 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.802 -2.867 -2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.637 -5.301 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.757 -3.802 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.916 -5.561 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.685 -1.987 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -15.511 -4.886 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.288 -1.325 2.144 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.039 -1.862 3.267 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.752 -2.130 -3.709 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.612 -1.664 -4.479 1.00 0.00 C ATOM 1355 C GLY A 92 -8.639 -0.877 -3.598 1.00 0.00 C ATOM 1356 O GLY A 92 -9.006 0.146 -3.023 1.00 0.00 O ATOM 0 H GLY A 92 -11.379 -1.393 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.097 -2.515 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.956 -1.034 -5.299 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.418 -1.386 -3.519 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.390 -0.744 -2.718 1.00 0.00 C ATOM 1362 C VAL A 93 -5.179 -0.437 -3.600 1.00 0.00 C ATOM 1363 O VAL A 93 -4.982 -1.074 -4.634 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.045 -1.618 -1.511 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.422 -3.079 -1.767 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.565 -1.490 -1.145 1.00 0.00 C ATOM 0 H VAL A 93 -7.118 -2.236 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.752 0.205 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.631 -1.264 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.166 -3.679 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.493 -3.151 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.875 -3.449 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.347 -2.122 -0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.953 -1.805 -1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.339 -0.452 -0.900 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.397 0.538 -3.160 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.210 0.936 -3.897 1.00 0.00 C ATOM 1378 C VAL A 94 -2.004 0.926 -2.956 1.00 0.00 C ATOM 1379 O VAL A 94 -2.152 1.107 -1.748 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.438 2.295 -4.561 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.269 2.149 -5.837 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.094 3.278 -3.589 1.00 0.00 C ATOM 0 H VAL A 94 -4.563 1.064 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.003 0.228 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.465 2.699 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.417 3.130 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.746 1.500 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.238 1.713 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.245 4.236 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.057 2.882 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.449 3.417 -2.722 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.836 0.712 -3.544 1.00 0.00 N ATOM 1393 CA VAL A 95 0.395 0.676 -2.774 1.00 0.00 C ATOM 1394 C VAL A 95 1.417 1.622 -3.408 1.00 0.00 C ATOM 1395 O VAL A 95 1.466 1.760 -4.629 1.00 0.00 O ATOM 1396 CB VAL A 95 0.902 -0.764 -2.664 1.00 0.00 C ATOM 1397 CG1 VAL A 95 1.979 -0.885 -1.585 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.253 -1.732 -2.398 1.00 0.00 C ATOM 0 H VAL A 95 -0.717 0.562 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 95 0.218 1.023 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 95 1.353 -1.035 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.322 -1.918 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.819 -0.237 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.565 -0.586 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.134 -2.748 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.746 -1.462 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.971 -1.676 -3.216 1.00 0.00 H new ATOM 1408 N GLN A 96 2.207 2.250 -2.549 1.00 0.00 N ATOM 1409 CA GLN A 96 3.224 3.179 -3.010 1.00 0.00 C ATOM 1410 C GLN A 96 4.372 3.253 -2.000 1.00 0.00 C ATOM 1411 O GLN A 96 4.179 2.988 -0.815 1.00 0.00 O ATOM 1412 CB GLN A 96 2.627 4.565 -3.263 1.00 0.00 C ATOM 1413 CG GLN A 96 1.391 4.797 -2.391 1.00 0.00 C ATOM 1414 CD GLN A 96 0.734 6.140 -2.718 1.00 0.00 C ATOM 1415 OE1 GLN A 96 0.568 6.515 -3.867 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.371 6.839 -1.647 1.00 0.00 N ATOM 0 H GLN A 96 2.163 2.133 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 96 3.621 2.812 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.374 5.331 -3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.358 4.663 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.675 3.990 -2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.674 4.773 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.540 6.466 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.076 7.749 -1.759 1.00 0.00 H new ATOM 1425 N ALA A 97 5.541 3.615 -2.508 1.00 0.00 N ATOM 1426 CA ALA A 97 6.720 3.727 -1.665 1.00 0.00 C ATOM 1427 C ALA A 97 6.828 5.158 -1.135 1.00 0.00 C ATOM 1428 O ALA A 97 6.931 6.105 -1.913 1.00 0.00 O ATOM 1429 CB ALA A 97 7.957 3.304 -2.460 1.00 0.00 C ATOM 0 H ALA A 97 5.697 3.834 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 97 6.642 3.062 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.842 3.388 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.842 2.271 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.069 3.951 -3.330 1.00 0.00 H new ATOM 1435 N PHE A 98 6.802 5.270 0.185 1.00 0.00 N ATOM 1436 CA PHE A 98 6.896 6.569 0.828 1.00 0.00 C ATOM 1437 C PHE A 98 8.164 6.670 1.677 1.00 0.00 C ATOM 1438 O PHE A 98 8.452 5.781 2.478 1.00 0.00 O ATOM 1439 CB PHE A 98 5.674 6.707 1.738 1.00 0.00 C ATOM 1440 CG PHE A 98 5.877 6.135 3.143 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.695 6.770 4.024 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.239 4.991 3.510 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.883 6.239 5.328 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.427 4.460 4.813 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.245 5.095 5.695 1.00 0.00 C ATOM 0 H PHE A 98 6.717 4.482 0.827 1.00 0.00 H new ATOM 0 HA PHE A 98 6.933 7.356 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.412 7.762 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.827 6.204 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.202 7.678 3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.589 4.487 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.532 6.744 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.920 3.552 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.388 4.691 6.686 1.00 0.00 H new ATOM 1455 N ASN A 99 8.889 7.760 1.474 1.00 0.00 N ATOM 1456 CA ASN A 99 10.120 7.989 2.211 1.00 0.00 C ATOM 1457 C ASN A 99 10.041 9.342 2.921 1.00 0.00 C ATOM 1458 O ASN A 99 9.051 10.060 2.787 1.00 0.00 O ATOM 1459 CB ASN A 99 11.327 8.017 1.272 1.00 0.00 C ATOM 1460 CG ASN A 99 11.108 9.008 0.127 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.749 10.157 0.326 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.344 8.501 -1.079 1.00 0.00 N ATOM 0 H ASN A 99 8.647 8.495 0.809 1.00 0.00 H new ATOM 0 HA ASN A 99 10.240 7.177 2.928 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.221 8.294 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.500 7.020 0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.227 9.083 -1.909 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.642 7.530 -1.175 1.00 0.00 H new ATOM 1469 N ARG A 100 11.097 9.650 3.659 1.00 0.00 N ATOM 1470 CA ARG A 100 11.159 10.905 4.390 1.00 0.00 C ATOM 1471 C ARG A 100 11.149 12.086 3.418 1.00 0.00 C ATOM 1472 O ARG A 100 10.892 13.221 3.817 1.00 0.00 O ATOM 1473 CB ARG A 100 12.419 10.976 5.255 1.00 0.00 C ATOM 1474 CG ARG A 100 12.133 10.500 6.681 1.00 0.00 C ATOM 1475 CD ARG A 100 11.378 11.568 7.474 1.00 0.00 C ATOM 1476 NE ARG A 100 11.025 11.048 8.814 1.00 0.00 N ATOM 1477 CZ ARG A 100 10.279 11.715 9.706 1.00 0.00 C ATOM 1478 NH1 ARG A 100 9.804 12.931 9.407 1.00 0.00 N ATOM 1479 NH2 ARG A 100 10.010 11.165 10.898 1.00 0.00 N ATOM 0 H ARG A 100 11.917 9.053 3.767 1.00 0.00 H new ATOM 0 HA ARG A 100 10.284 10.956 5.038 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.203 10.361 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.792 12.000 5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.547 9.582 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.070 10.263 7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.993 12.462 7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.475 11.860 6.938 1.00 0.00 H new ATOM 0 HE ARG A 100 11.371 10.125 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.010 13.350 8.500 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.236 13.438 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.373 10.239 11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.442 11.672 11.577 1.00 0.00 H new ATOM 1493 N ALA A 101 11.432 11.779 2.160 1.00 0.00 N ATOM 1494 CA ALA A 101 11.458 12.801 1.128 1.00 0.00 C ATOM 1495 C ALA A 101 10.032 13.068 0.644 1.00 0.00 C ATOM 1496 O ALA A 101 9.730 14.159 0.161 1.00 0.00 O ATOM 1497 CB ALA A 101 12.385 12.358 -0.006 1.00 0.00 C ATOM 0 H ALA A 101 11.645 10.837 1.833 1.00 0.00 H new ATOM 0 HA ALA A 101 11.852 13.737 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.405 13.125 -0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.392 12.210 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.020 11.423 -0.430 1.00 0.00 H new ATOM 1503 N GLY A 102 9.191 12.054 0.791 1.00 0.00 N ATOM 1504 CA GLY A 102 7.804 12.166 0.375 1.00 0.00 C ATOM 1505 C GLY A 102 7.261 10.815 -0.094 1.00 0.00 C ATOM 1506 O GLY A 102 7.886 9.779 0.131 1.00 0.00 O ATOM 0 H GLY A 102 9.444 11.151 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.201 12.536 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.720 12.895 -0.431 1.00 0.00 H new ATOM 1510 N THR A 103 6.104 10.868 -0.738 1.00 0.00 N ATOM 1511 CA THR A 103 5.471 9.661 -1.241 1.00 0.00 C ATOM 1512 C THR A 103 5.428 9.679 -2.770 1.00 0.00 C ATOM 1513 O THR A 103 5.268 10.737 -3.378 1.00 0.00 O ATOM 1514 CB THR A 103 4.088 9.549 -0.595 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.292 9.999 0.742 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.634 8.097 -0.433 1.00 0.00 C ATOM 0 H THR A 103 5.589 11.729 -0.923 1.00 0.00 H new ATOM 0 HA THR A 103 6.044 8.773 -0.974 1.00 0.00 H new ATOM 0 HB THR A 103 3.361 10.092 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.445 9.961 1.233 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.647 8.074 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.587 7.619 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.344 7.562 0.198 1.00 0.00 H new ATOM 1524 N GLY A 104 5.572 8.496 -3.348 1.00 0.00 N ATOM 1525 CA GLY A 104 5.552 8.362 -4.795 1.00 0.00 C ATOM 1526 C GLY A 104 4.133 8.091 -5.300 1.00 0.00 C ATOM 1527 O GLY A 104 3.170 8.191 -4.541 1.00 0.00 O ATOM 0 H GLY A 104 5.703 7.621 -2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.938 9.273 -5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.211 7.549 -5.098 1.00 0.00 H new ATOM 1531 N PRO A 105 4.047 7.743 -6.612 1.00 0.00 N ATOM 1532 CA PRO A 105 2.763 7.457 -7.228 1.00 0.00 C ATOM 1533 C PRO A 105 2.241 6.086 -6.795 1.00 0.00 C ATOM 1534 O PRO A 105 3.023 5.199 -6.455 1.00 0.00 O ATOM 1535 CB PRO A 105 3.014 7.552 -8.724 1.00 0.00 C ATOM 1536 CG PRO A 105 4.518 7.428 -8.903 1.00 0.00 C ATOM 1537 CD PRO A 105 5.167 7.615 -7.541 1.00 0.00 C ATOM 0 HA PRO A 105 1.985 8.157 -6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.490 6.760 -9.259 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.650 8.499 -9.122 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.774 6.453 -9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.882 8.178 -9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.800 6.766 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.800 8.502 -7.522 1.00 0.00 H new ATOM 1545 N SER A 106 0.923 5.954 -6.821 1.00 0.00 N ATOM 1546 CA SER A 106 0.287 4.706 -6.435 1.00 0.00 C ATOM 1547 C SER A 106 0.359 3.704 -7.589 1.00 0.00 C ATOM 1548 O SER A 106 0.480 4.095 -8.749 1.00 0.00 O ATOM 1549 CB SER A 106 -1.168 4.934 -6.020 1.00 0.00 C ATOM 1550 OG SER A 106 -1.289 5.212 -4.628 1.00 0.00 O ATOM 0 H SER A 106 0.278 6.692 -7.104 1.00 0.00 H new ATOM 0 HA SER A 106 0.822 4.301 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.582 5.764 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.758 4.051 -6.266 1.00 0.00 H new ATOM 0 HG SER A 106 -0.752 6.001 -4.404 1.00 0.00 H new ATOM 1556 N SER A 107 0.282 2.431 -7.230 1.00 0.00 N ATOM 1557 CA SER A 107 0.337 1.369 -8.221 1.00 0.00 C ATOM 1558 C SER A 107 -1.064 1.095 -8.773 1.00 0.00 C ATOM 1559 O SER A 107 -2.060 1.341 -8.096 1.00 0.00 O ATOM 1560 CB SER A 107 0.933 0.092 -7.627 1.00 0.00 C ATOM 1561 OG SER A 107 0.656 -0.030 -6.235 1.00 0.00 O ATOM 0 H SER A 107 0.182 2.111 -6.267 1.00 0.00 H new ATOM 0 HA SER A 107 0.984 1.694 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.532 -0.774 -8.154 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.012 0.089 -7.783 1.00 0.00 H new ATOM 0 HG SER A 107 1.319 0.480 -5.724 1.00 0.00 H new ATOM 1567 N SER A 108 -1.094 0.589 -9.997 1.00 0.00 N ATOM 1568 CA SER A 108 -2.356 0.279 -10.647 1.00 0.00 C ATOM 1569 C SER A 108 -3.323 -0.349 -9.641 1.00 0.00 C ATOM 1570 O SER A 108 -3.026 -1.389 -9.056 1.00 0.00 O ATOM 1571 CB SER A 108 -2.146 -0.659 -11.838 1.00 0.00 C ATOM 1572 OG SER A 108 -0.764 -0.889 -12.099 1.00 0.00 O ATOM 0 H SER A 108 -0.265 0.386 -10.556 1.00 0.00 H new ATOM 0 HA SER A 108 -2.785 1.208 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.641 -1.610 -11.642 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.616 -0.231 -12.724 1.00 0.00 H new ATOM 0 HG SER A 108 -0.672 -1.494 -12.865 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.459 0.311 -9.470 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.471 -0.170 -8.545 1.00 0.00 C ATOM 1580 C GLU A 109 -6.018 -1.521 -9.011 1.00 0.00 C ATOM 1581 O GLU A 109 -6.479 -1.650 -10.144 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.598 0.852 -8.386 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.700 0.316 -7.470 1.00 0.00 C ATOM 1584 CD GLU A 109 -9.057 0.331 -8.177 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.095 -0.121 -9.342 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.025 0.793 -7.536 1.00 0.00 O ATOM 0 H GLU A 109 -4.701 1.174 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.007 -0.306 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.198 1.779 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.017 1.091 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.458 -0.701 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.751 0.921 -6.564 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.949 -2.493 -8.114 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.431 -3.829 -8.419 1.00 0.00 C ATOM 1595 C ILE A 110 -7.736 -4.081 -7.660 1.00 0.00 C ATOM 1596 O ILE A 110 -8.370 -3.143 -7.180 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.344 -4.868 -8.135 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.975 -4.203 -7.983 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -5.335 -5.958 -9.209 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.849 -5.229 -8.121 1.00 0.00 C ATOM 0 H ILE A 110 -5.566 -2.382 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.657 -3.920 -9.481 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.574 -5.352 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.858 -3.426 -8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.910 -3.715 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.554 -6.684 -8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.302 -6.460 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.142 -5.508 -10.183 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.886 -4.730 -8.009 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.955 -5.991 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.902 -5.698 -9.104 1.00 0.00 H new ATOM 1612 N ASN A 111 -8.098 -5.353 -7.576 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.315 -5.740 -6.884 1.00 0.00 C ATOM 1614 C ASN A 111 -9.143 -7.146 -6.306 1.00 0.00 C ATOM 1615 O ASN A 111 -8.349 -7.937 -6.813 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.508 -5.766 -7.842 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.210 -6.634 -9.066 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.681 -6.180 -10.067 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.578 -7.905 -8.930 1.00 0.00 N ATOM 0 H ASN A 111 -7.570 -6.128 -7.976 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.501 -5.011 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.386 -6.151 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.745 -4.751 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.422 -8.565 -9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.016 -8.219 -8.064 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.900 -7.414 -5.252 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.841 -8.711 -4.598 1.00 0.00 C ATOM 1628 C ALA A 112 -11.053 -8.869 -3.678 1.00 0.00 C ATOM 1629 O ALA A 112 -11.017 -8.451 -2.522 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.516 -8.843 -3.845 1.00 0.00 C ATOM 0 H ALA A 112 -10.557 -6.755 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.879 -9.514 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.472 -9.815 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.688 -8.753 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.443 -8.055 -3.095 1.00 0.00 H new ATOM 1636 N THR A 113 -12.097 -9.473 -4.226 1.00 0.00 N ATOM 1637 CA THR A 113 -13.317 -9.692 -3.469 1.00 0.00 C ATOM 1638 C THR A 113 -13.050 -10.621 -2.283 1.00 0.00 C ATOM 1639 O THR A 113 -12.687 -11.781 -2.468 1.00 0.00 O ATOM 1640 CB THR A 113 -14.381 -10.225 -4.430 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.745 -9.089 -5.210 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.675 -10.615 -3.713 1.00 0.00 C ATOM 0 H THR A 113 -12.123 -9.818 -5.186 1.00 0.00 H new ATOM 0 HA THR A 113 -13.686 -8.762 -3.036 1.00 0.00 H new ATOM 0 HB THR A 113 -13.987 -11.090 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.431 -9.346 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.396 -10.987 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.464 -11.394 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 113 -16.087 -9.742 -3.206 1.00 0.00 H new ATOM 1650 N THR A 114 -13.239 -10.075 -1.090 1.00 0.00 N ATOM 1651 CA THR A 114 -13.023 -10.840 0.126 1.00 0.00 C ATOM 1652 C THR A 114 -13.826 -12.142 0.087 1.00 0.00 C ATOM 1653 O THR A 114 -14.931 -12.178 -0.453 1.00 0.00 O ATOM 1654 CB THR A 114 -13.374 -9.946 1.316 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.601 -9.327 0.936 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.401 -8.776 1.477 1.00 0.00 C ATOM 0 H THR A 114 -13.539 -9.112 -0.940 1.00 0.00 H new ATOM 0 HA THR A 114 -11.980 -11.141 0.223 1.00 0.00 H new ATOM 0 HB THR A 114 -13.379 -10.542 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.026 -8.931 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.696 -8.173 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.393 -9.160 1.632 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.420 -8.160 0.578 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.240 -13.179 0.666 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.887 -14.480 0.704 1.00 0.00 C ATOM 1666 C LEU A 115 -15.378 -14.294 0.989 1.00 0.00 C ATOM 1667 O LEU A 115 -15.765 -13.391 1.729 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.180 -15.401 1.701 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.679 -15.602 1.481 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.145 -16.740 2.352 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.366 -15.819 -0.001 1.00 0.00 C ATOM 0 H LEU A 115 -12.324 -13.145 1.113 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.806 -14.975 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.330 -15.001 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.665 -16.377 1.671 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.164 -14.692 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.076 -16.862 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.316 -16.505 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.662 -17.665 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.293 -15.959 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.893 -16.704 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.689 -14.949 -0.572 1.00 0.00 H new