USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.27) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.058) USER MOD Single : A 33 MET CE :methyl 177:sc= -7.26! (180deg=-7.37!) USER MOD Single : A 34 MET CE :methyl -167:sc= -0.0174 (180deg=-0.665) USER MOD Single : A 35 GLN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.94! C(o=-5.9!,f=-6.7!) USER MOD Single : A 38 GLN : amide:sc= -0.189 K(o=-0.19,f=-3!) USER MOD Single : A 39 ASN : amide:sc= -0.598 K(o=-0.6,f=-5!) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.3) USER MOD Single : A 54 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : B 24 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.39) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.082) USER MOD Single : B 33 MET CE :methyl 171:sc= -7.24! (180deg=-7.28!) USER MOD Single : B 34 MET CE :methyl -167:sc= -0.0166 (180deg=-0.661) USER MOD Single : B 35 GLN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -5.97! C(o=-6!,f=-6.8!) USER MOD Single : B 38 GLN : amide:sc= -0.231 K(o=-0.23,f=-3.1!) USER MOD Single : B 39 ASN : amide:sc= -0.73 K(o=-0.73,f=-4.7!) USER MOD Single : B 47 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 51 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.27) USER MOD Single : B 54 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.0011) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -14.904 18.307 -14.064 1.00 0.00 N ATOM 163 CA PRO A 19 -14.130 19.517 -14.416 1.00 0.00 C ATOM 164 C PRO A 19 -12.779 19.160 -15.054 1.00 0.00 C ATOM 165 O PRO A 19 -11.875 19.969 -15.095 1.00 0.00 O ATOM 166 CB PRO A 19 -13.934 20.207 -13.071 1.00 0.00 C ATOM 167 CG PRO A 19 -14.031 19.122 -12.037 1.00 0.00 C ATOM 168 CD PRO A 19 -14.690 17.917 -12.669 1.00 0.00 C ATOM 0 HA PRO A 19 -14.636 20.141 -15.152 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.966 20.706 -13.025 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.694 20.971 -12.909 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.039 18.861 -11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.611 19.465 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.055 17.034 -12.596 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.631 17.675 -12.176 1.00 0.00 H new ATOM 176 N LYS A 20 -12.643 17.963 -15.567 1.00 0.00 N ATOM 177 CA LYS A 20 -11.360 17.544 -16.223 1.00 0.00 C ATOM 178 C LYS A 20 -10.203 17.501 -15.216 1.00 0.00 C ATOM 179 O LYS A 20 -9.676 16.449 -14.914 1.00 0.00 O ATOM 180 CB LYS A 20 -11.090 18.591 -17.309 1.00 0.00 C ATOM 181 CG LYS A 20 -10.129 18.012 -18.350 1.00 0.00 C ATOM 182 CD LYS A 20 -8.695 18.414 -18.000 1.00 0.00 C ATOM 183 CE LYS A 20 -8.017 19.011 -19.235 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.557 18.859 -18.983 1.00 0.00 N ATOM 0 H LYS A 20 -13.372 17.249 -15.561 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.441 16.539 -16.637 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.025 18.885 -17.786 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.663 19.490 -16.864 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.217 16.926 -18.377 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.388 18.378 -19.343 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.698 19.140 -17.187 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.137 17.545 -17.650 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.318 18.487 -20.142 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.288 20.059 -19.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.024 19.246 -19.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.299 19.373 -18.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.328 17.851 -18.868 1.00 0.00 H new ATOM 198 N ALA A 21 -9.793 18.634 -14.705 1.00 0.00 N ATOM 199 CA ALA A 21 -8.660 18.660 -13.728 1.00 0.00 C ATOM 200 C ALA A 21 -8.838 17.579 -12.655 1.00 0.00 C ATOM 201 O ALA A 21 -7.920 16.851 -12.334 1.00 0.00 O ATOM 202 CB ALA A 21 -8.715 20.050 -13.098 1.00 0.00 C ATOM 0 H ALA A 21 -10.195 19.546 -14.923 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.703 18.462 -14.211 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.913 20.150 -12.367 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.595 20.806 -13.874 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.676 20.187 -12.603 1.00 0.00 H new ATOM 208 N LEU A 22 -10.014 17.466 -12.105 1.00 0.00 N ATOM 209 CA LEU A 22 -10.254 16.428 -11.061 1.00 0.00 C ATOM 210 C LEU A 22 -10.493 15.081 -11.733 1.00 0.00 C ATOM 211 O LEU A 22 -9.987 14.059 -11.315 1.00 0.00 O ATOM 212 CB LEU A 22 -11.512 16.883 -10.322 1.00 0.00 C ATOM 213 CG LEU A 22 -11.159 18.002 -9.344 1.00 0.00 C ATOM 214 CD1 LEU A 22 -10.742 19.245 -10.127 1.00 0.00 C ATOM 215 CD2 LEU A 22 -12.380 18.328 -8.481 1.00 0.00 C ATOM 0 H LEU A 22 -10.821 18.047 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.408 16.315 -10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.258 17.233 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.953 16.044 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.337 17.682 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.489 20.045 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.874 19.012 -10.743 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.565 19.566 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.129 19.126 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.202 18.650 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.680 17.440 -7.924 1.00 0.00 H new ATOM 227 N GLN A 23 -11.268 15.083 -12.779 1.00 0.00 N ATOM 228 CA GLN A 23 -11.557 13.809 -13.502 1.00 0.00 C ATOM 229 C GLN A 23 -10.253 13.085 -13.845 1.00 0.00 C ATOM 230 O GLN A 23 -10.075 11.925 -13.529 1.00 0.00 O ATOM 231 CB GLN A 23 -12.287 14.234 -14.776 1.00 0.00 C ATOM 232 CG GLN A 23 -12.991 13.022 -15.390 1.00 0.00 C ATOM 233 CD GLN A 23 -13.594 13.411 -16.741 1.00 0.00 C ATOM 234 OE1 GLN A 23 -14.794 13.347 -16.926 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.807 13.817 -17.700 1.00 0.00 N ATOM 0 H GLN A 23 -11.716 15.913 -13.168 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.152 13.120 -12.902 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.014 15.013 -14.548 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.579 14.657 -15.489 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.283 12.203 -15.518 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.773 12.665 -14.720 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.800 13.871 -17.545 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.199 14.080 -18.604 1.00 0.00 H new ATOM 244 N GLN A 24 -9.339 13.759 -14.487 1.00 0.00 N ATOM 245 CA GLN A 24 -8.048 13.108 -14.847 1.00 0.00 C ATOM 246 C GLN A 24 -7.202 12.885 -13.591 1.00 0.00 C ATOM 247 O GLN A 24 -6.469 11.921 -13.486 1.00 0.00 O ATOM 248 CB GLN A 24 -7.356 14.090 -15.792 1.00 0.00 C ATOM 249 CG GLN A 24 -6.121 13.427 -16.405 1.00 0.00 C ATOM 250 CD GLN A 24 -4.858 14.010 -15.768 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.708 15.212 -15.679 1.00 0.00 O ATOM 252 NE2 GLN A 24 -3.937 13.202 -15.317 1.00 0.00 N ATOM 0 H GLN A 24 -9.430 14.732 -14.778 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.193 12.132 -15.311 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.044 14.399 -16.579 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.067 14.990 -15.250 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.157 12.349 -16.245 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.105 13.589 -17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.063 12.193 -15.392 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.091 13.580 -14.890 1.00 0.00 H new ATOM 261 N LYS A 25 -7.299 13.768 -12.636 1.00 0.00 N ATOM 262 CA LYS A 25 -6.502 13.607 -11.386 1.00 0.00 C ATOM 263 C LYS A 25 -7.006 12.400 -10.591 1.00 0.00 C ATOM 264 O LYS A 25 -6.245 11.536 -10.206 1.00 0.00 O ATOM 265 CB LYS A 25 -6.729 14.900 -10.601 1.00 0.00 C ATOM 266 CG LYS A 25 -5.695 15.944 -11.025 1.00 0.00 C ATOM 267 CD LYS A 25 -6.056 17.299 -10.412 1.00 0.00 C ATOM 268 CE LYS A 25 -4.846 17.861 -9.664 1.00 0.00 C ATOM 269 NZ LYS A 25 -5.247 17.864 -8.230 1.00 0.00 N ATOM 0 H LYS A 25 -7.896 14.595 -12.667 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.445 13.435 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.736 15.276 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.649 14.707 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.700 15.639 -10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.665 16.021 -12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.367 17.992 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.899 17.188 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.961 17.245 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.601 18.866 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.467 18.237 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.087 18.464 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.467 16.893 -7.929 1.00 0.00 H new ATOM 283 N ILE A 26 -8.286 12.335 -10.342 1.00 0.00 N ATOM 284 CA ILE A 26 -8.838 11.184 -9.572 1.00 0.00 C ATOM 285 C ILE A 26 -8.542 9.870 -10.301 1.00 0.00 C ATOM 286 O ILE A 26 -8.026 8.933 -9.725 1.00 0.00 O ATOM 287 CB ILE A 26 -10.344 11.435 -9.511 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.615 12.724 -8.732 1.00 0.00 C ATOM 289 CG2 ILE A 26 -11.030 10.262 -8.808 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.077 13.136 -8.918 1.00 0.00 C ATOM 0 H ILE A 26 -8.973 13.029 -10.638 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.398 11.102 -8.578 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.737 11.532 -10.523 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.400 12.574 -7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.955 13.518 -9.082 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.104 10.442 -8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.838 9.343 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.637 10.164 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.270 14.054 -8.363 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.276 13.303 -9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.728 12.344 -8.547 1.00 0.00 H new ATOM 302 N HIS A 27 -8.863 9.797 -11.564 1.00 0.00 N ATOM 303 CA HIS A 27 -8.599 8.544 -12.328 1.00 0.00 C ATOM 304 C HIS A 27 -7.095 8.256 -12.371 1.00 0.00 C ATOM 305 O HIS A 27 -6.672 7.117 -12.374 1.00 0.00 O ATOM 306 CB HIS A 27 -9.133 8.819 -13.734 1.00 0.00 C ATOM 307 CG HIS A 27 -9.548 7.523 -14.375 1.00 0.00 C ATOM 308 ND1 HIS A 27 -9.322 7.257 -15.716 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.176 6.410 -13.872 1.00 0.00 C ATOM 310 CE1 HIS A 27 -9.806 6.027 -15.973 1.00 0.00 C ATOM 311 NE2 HIS A 27 -10.338 5.467 -14.883 1.00 0.00 N ATOM 0 H HIS A 27 -9.296 10.549 -12.099 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.075 7.675 -11.873 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.982 9.501 -13.685 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.367 9.306 -14.337 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.496 6.285 -12.848 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.769 5.551 -16.942 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.770 4.546 -14.808 1.00 0.00 H new ATOM 319 N GLU A 28 -6.287 9.279 -12.407 1.00 0.00 N ATOM 320 CA GLU A 28 -4.812 9.063 -12.452 1.00 0.00 C ATOM 321 C GLU A 28 -4.277 8.754 -11.050 1.00 0.00 C ATOM 322 O GLU A 28 -3.422 7.908 -10.875 1.00 0.00 O ATOM 323 CB GLU A 28 -4.234 10.382 -12.966 1.00 0.00 C ATOM 324 CG GLU A 28 -2.728 10.229 -13.188 1.00 0.00 C ATOM 325 CD GLU A 28 -2.478 9.512 -14.516 1.00 0.00 C ATOM 326 OE1 GLU A 28 -3.267 9.701 -15.427 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.500 8.786 -14.601 1.00 0.00 O ATOM 0 H GLU A 28 -6.583 10.255 -12.407 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.539 8.221 -13.088 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.722 10.666 -13.898 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.427 11.180 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.249 11.208 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.284 9.664 -12.368 1.00 0.00 H new ATOM 334 N LEU A 29 -4.772 9.434 -10.052 1.00 0.00 N ATOM 335 CA LEU A 29 -4.289 9.178 -8.664 1.00 0.00 C ATOM 336 C LEU A 29 -4.791 7.820 -8.167 1.00 0.00 C ATOM 337 O LEU A 29 -4.115 7.127 -7.434 1.00 0.00 O ATOM 338 CB LEU A 29 -4.884 10.310 -7.825 1.00 0.00 C ATOM 339 CG LEU A 29 -4.121 11.606 -8.099 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.956 12.799 -7.632 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.792 11.586 -7.340 1.00 0.00 C ATOM 0 H LEU A 29 -5.489 10.155 -10.137 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.201 9.152 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.939 10.439 -8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.827 10.060 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.928 11.694 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.412 13.723 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.903 12.814 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.150 12.711 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.248 12.510 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.985 11.497 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.196 10.736 -7.673 1.00 0.00 H new ATOM 353 N GLU A 30 -5.974 7.435 -8.560 1.00 0.00 N ATOM 354 CA GLU A 30 -6.520 6.122 -8.109 1.00 0.00 C ATOM 355 C GLU A 30 -5.625 4.979 -8.595 1.00 0.00 C ATOM 356 O GLU A 30 -5.359 4.037 -7.874 1.00 0.00 O ATOM 357 CB GLU A 30 -7.906 6.028 -8.748 1.00 0.00 C ATOM 358 CG GLU A 30 -8.686 4.876 -8.111 1.00 0.00 C ATOM 359 CD GLU A 30 -9.397 4.075 -9.202 1.00 0.00 C ATOM 360 OE1 GLU A 30 -8.711 3.438 -9.985 1.00 0.00 O ATOM 361 OE2 GLU A 30 -10.616 4.112 -9.238 1.00 0.00 O ATOM 0 H GLU A 30 -6.587 7.972 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.566 6.047 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.445 6.965 -8.611 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.813 5.868 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.009 4.229 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.413 5.266 -7.399 1.00 0.00 H new ATOM 368 N GLY A 31 -5.161 5.052 -9.812 1.00 0.00 N ATOM 369 CA GLY A 31 -4.287 3.967 -10.343 1.00 0.00 C ATOM 370 C GLY A 31 -2.857 4.161 -9.831 1.00 0.00 C ATOM 371 O GLY A 31 -2.078 3.231 -9.773 1.00 0.00 O ATOM 0 H GLY A 31 -5.349 5.815 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.667 2.994 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.298 3.978 -11.433 1.00 0.00 H new ATOM 375 N LEU A 32 -2.507 5.362 -9.460 1.00 0.00 N ATOM 376 CA LEU A 32 -1.126 5.613 -8.953 1.00 0.00 C ATOM 377 C LEU A 32 -0.890 4.845 -7.649 1.00 0.00 C ATOM 378 O LEU A 32 0.233 4.577 -7.271 1.00 0.00 O ATOM 379 CB LEU A 32 -1.063 7.120 -8.707 1.00 0.00 C ATOM 380 CG LEU A 32 0.384 7.598 -8.831 1.00 0.00 C ATOM 381 CD1 LEU A 32 0.738 7.776 -10.307 1.00 0.00 C ATOM 382 CD2 LEU A 32 0.542 8.936 -8.104 1.00 0.00 C ATOM 0 H LEU A 32 -3.116 6.180 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.362 5.282 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.693 7.643 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.450 7.354 -7.715 1.00 0.00 H new ATOM 0 HG LEU A 32 1.050 6.860 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.770 8.117 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.625 6.824 -10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.073 8.514 -10.754 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.573 9.278 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.124 9.674 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.290 8.810 -7.051 1.00 0.00 H new ATOM 394 N MET A 33 -1.939 4.491 -6.959 1.00 0.00 N ATOM 395 CA MET A 33 -1.773 3.743 -5.680 1.00 0.00 C ATOM 396 C MET A 33 -1.171 2.361 -5.946 1.00 0.00 C ATOM 397 O MET A 33 -0.142 2.008 -5.406 1.00 0.00 O ATOM 398 CB MET A 33 -3.186 3.612 -5.111 1.00 0.00 C ATOM 399 CG MET A 33 -3.543 4.882 -4.337 1.00 0.00 C ATOM 400 SD MET A 33 -5.230 5.386 -4.750 1.00 0.00 S ATOM 401 CE MET A 33 -6.087 4.098 -3.812 1.00 0.00 C ATOM 0 H MET A 33 -2.904 4.687 -7.225 1.00 0.00 H new ATOM 0 HA MET A 33 -1.101 4.253 -4.990 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.901 3.452 -5.918 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.246 2.744 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.458 4.703 -3.265 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.843 5.680 -4.584 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.164 4.251 -3.883 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.832 3.120 -4.220 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.782 4.146 -2.767 1.00 0.00 H new ATOM 411 N MET A 34 -1.804 1.576 -6.775 1.00 0.00 N ATOM 412 CA MET A 34 -1.267 0.216 -7.075 1.00 0.00 C ATOM 413 C MET A 34 0.204 0.308 -7.492 1.00 0.00 C ATOM 414 O MET A 34 0.999 -0.562 -7.196 1.00 0.00 O ATOM 415 CB MET A 34 -2.122 -0.300 -8.232 1.00 0.00 C ATOM 416 CG MET A 34 -2.456 -1.774 -8.004 1.00 0.00 C ATOM 417 SD MET A 34 -4.181 -1.929 -7.477 1.00 0.00 S ATOM 418 CE MET A 34 -3.936 -1.436 -5.753 1.00 0.00 C ATOM 0 H MET A 34 -2.670 1.817 -7.258 1.00 0.00 H new ATOM 0 HA MET A 34 -1.310 -0.446 -6.210 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.039 0.284 -8.308 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.588 -0.179 -9.174 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.293 -2.341 -8.921 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.794 -2.195 -7.247 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.828 -1.678 -5.175 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.080 -1.970 -5.340 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.753 -0.363 -5.704 1.00 0.00 H new ATOM 428 N GLN A 35 0.569 1.356 -8.177 1.00 0.00 N ATOM 429 CA GLN A 35 1.987 1.507 -8.614 1.00 0.00 C ATOM 430 C GLN A 35 2.914 1.555 -7.395 1.00 0.00 C ATOM 431 O GLN A 35 3.607 0.604 -7.092 1.00 0.00 O ATOM 432 CB GLN A 35 2.023 2.833 -9.376 1.00 0.00 C ATOM 433 CG GLN A 35 3.464 3.159 -9.780 1.00 0.00 C ATOM 434 CD GLN A 35 3.633 2.939 -11.284 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.351 2.052 -11.704 1.00 0.00 O ATOM 436 NE2 GLN A 35 2.999 3.715 -12.121 1.00 0.00 N ATOM 0 H GLN A 35 -0.053 2.115 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 35 2.324 0.674 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.392 2.771 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.620 3.632 -8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.700 4.192 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.160 2.527 -9.229 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.396 4.459 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.106 3.577 -13.126 1.00 0.00 H new ATOM 445 N HIS A 36 2.934 2.656 -6.696 1.00 0.00 N ATOM 446 CA HIS A 36 3.818 2.767 -5.499 1.00 0.00 C ATOM 447 C HIS A 36 3.593 1.577 -4.557 1.00 0.00 C ATOM 448 O HIS A 36 4.530 0.964 -4.086 1.00 0.00 O ATOM 449 CB HIS A 36 3.412 4.082 -4.834 1.00 0.00 C ATOM 450 CG HIS A 36 3.857 5.233 -5.693 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.185 5.424 -6.043 1.00 0.00 N ATOM 452 CD2 HIS A 36 3.162 6.260 -6.284 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.247 6.528 -6.810 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.042 7.076 -6.988 1.00 0.00 N ATOM 0 H HIS A 36 2.376 3.485 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 36 4.876 2.756 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.331 4.114 -4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.863 4.157 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.095 6.411 -6.213 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.160 6.923 -7.230 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.815 7.913 -7.525 1.00 0.00 H new ATOM 462 N ALA A 37 2.359 1.234 -4.289 1.00 0.00 N ATOM 463 CA ALA A 37 2.083 0.072 -3.392 1.00 0.00 C ATOM 464 C ALA A 37 2.833 -1.157 -3.917 1.00 0.00 C ATOM 465 O ALA A 37 3.378 -1.938 -3.161 1.00 0.00 O ATOM 466 CB ALA A 37 0.570 -0.144 -3.478 1.00 0.00 C ATOM 0 H ALA A 37 1.532 1.708 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 37 2.406 0.242 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.286 -0.984 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.054 0.755 -3.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.291 -0.357 -4.510 1.00 0.00 H new ATOM 472 N GLN A 38 2.876 -1.322 -5.215 1.00 0.00 N ATOM 473 CA GLN A 38 3.604 -2.485 -5.799 1.00 0.00 C ATOM 474 C GLN A 38 5.101 -2.331 -5.528 1.00 0.00 C ATOM 475 O GLN A 38 5.807 -3.294 -5.306 1.00 0.00 O ATOM 476 CB GLN A 38 3.317 -2.425 -7.300 1.00 0.00 C ATOM 477 CG GLN A 38 2.241 -3.452 -7.657 1.00 0.00 C ATOM 478 CD GLN A 38 1.508 -3.006 -8.922 1.00 0.00 C ATOM 479 OE1 GLN A 38 1.786 -1.953 -9.461 1.00 0.00 O ATOM 480 NE2 GLN A 38 0.575 -3.767 -9.424 1.00 0.00 N ATOM 0 H GLN A 38 2.438 -0.700 -5.894 1.00 0.00 H new ATOM 0 HA GLN A 38 3.290 -3.437 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.986 -1.424 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.228 -2.627 -7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.695 -4.430 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.535 -3.556 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.340 -4.651 -8.973 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.080 -3.478 -10.268 1.00 0.00 H new ATOM 489 N ASN A 39 5.582 -1.116 -5.523 1.00 0.00 N ATOM 490 CA ASN A 39 7.027 -0.883 -5.240 1.00 0.00 C ATOM 491 C ASN A 39 7.250 -0.808 -3.723 1.00 0.00 C ATOM 492 O ASN A 39 8.329 -0.499 -3.258 1.00 0.00 O ATOM 493 CB ASN A 39 7.350 0.459 -5.898 1.00 0.00 C ATOM 494 CG ASN A 39 7.119 0.356 -7.408 1.00 0.00 C ATOM 495 OD1 ASN A 39 6.518 -0.589 -7.879 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.576 1.295 -8.190 1.00 0.00 N ATOM 0 H ASN A 39 5.035 -0.274 -5.703 1.00 0.00 H new ATOM 0 HA ASN A 39 7.663 -1.682 -5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.722 1.244 -5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.385 0.736 -5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.429 1.236 -9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.080 2.088 -7.794 1.00 0.00 H new ATOM 503 N LEU A 40 6.231 -1.095 -2.949 1.00 0.00 N ATOM 504 CA LEU A 40 6.353 -1.056 -1.463 1.00 0.00 C ATOM 505 C LEU A 40 6.626 0.362 -0.968 1.00 0.00 C ATOM 506 O LEU A 40 7.038 0.566 0.157 1.00 0.00 O ATOM 507 CB LEU A 40 7.511 -1.994 -1.110 1.00 0.00 C ATOM 508 CG LEU A 40 6.990 -3.127 -0.227 1.00 0.00 C ATOM 509 CD1 LEU A 40 7.911 -4.341 -0.355 1.00 0.00 C ATOM 510 CD2 LEU A 40 6.959 -2.660 1.230 1.00 0.00 C ATOM 0 H LEU A 40 5.307 -1.358 -3.292 1.00 0.00 H new ATOM 0 HA LEU A 40 5.426 -1.371 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.955 -2.400 -2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.295 -1.443 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 40 5.984 -3.402 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.538 -5.148 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.934 -4.672 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.918 -4.069 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.588 -3.466 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.966 -2.385 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.302 -1.795 1.321 1.00 0.00 H new ATOM 522 N GLU A 41 6.370 1.348 -1.779 1.00 0.00 N ATOM 523 CA GLU A 41 6.586 2.748 -1.318 1.00 0.00 C ATOM 524 C GLU A 41 5.602 3.029 -0.183 1.00 0.00 C ATOM 525 O GLU A 41 5.977 3.456 0.890 1.00 0.00 O ATOM 526 CB GLU A 41 6.284 3.625 -2.534 1.00 0.00 C ATOM 527 CG GLU A 41 7.453 3.555 -3.517 1.00 0.00 C ATOM 528 CD GLU A 41 8.619 4.391 -2.986 1.00 0.00 C ATOM 529 OE1 GLU A 41 8.646 4.642 -1.792 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.465 4.765 -3.781 1.00 0.00 O ATOM 0 H GLU A 41 6.024 1.248 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 41 7.594 2.935 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.367 3.290 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.120 4.656 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.766 2.520 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.142 3.925 -4.494 1.00 0.00 H new ATOM 537 N PHE A 42 4.347 2.744 -0.423 1.00 0.00 N ATOM 538 CA PHE A 42 3.279 2.929 0.612 1.00 0.00 C ATOM 539 C PHE A 42 3.120 4.387 1.044 1.00 0.00 C ATOM 540 O PHE A 42 2.043 4.940 0.949 1.00 0.00 O ATOM 541 CB PHE A 42 3.695 2.052 1.798 1.00 0.00 C ATOM 542 CG PHE A 42 3.018 0.707 1.701 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.636 0.628 1.420 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.766 -0.476 1.899 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.002 -0.630 1.335 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.131 -1.736 1.815 1.00 0.00 C ATOM 547 CZ PHE A 42 1.749 -1.811 1.533 1.00 0.00 C ATOM 0 H PHE A 42 4.008 2.382 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 42 2.307 2.644 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.778 1.925 1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.424 2.539 2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.064 1.532 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.823 -0.417 2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.054 -0.689 1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.702 -2.640 1.966 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.263 -2.773 1.469 1.00 0.00 H new ATOM 557 N GLU A 43 4.160 5.017 1.526 1.00 0.00 N ATOM 558 CA GLU A 43 4.032 6.441 1.963 1.00 0.00 C ATOM 559 C GLU A 43 3.289 7.244 0.894 1.00 0.00 C ATOM 560 O GLU A 43 2.232 7.790 1.132 1.00 0.00 O ATOM 561 CB GLU A 43 5.471 6.939 2.113 1.00 0.00 C ATOM 562 CG GLU A 43 5.466 8.440 2.410 1.00 0.00 C ATOM 563 CD GLU A 43 6.869 9.009 2.187 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.524 8.571 1.256 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.263 9.875 2.951 1.00 0.00 O ATOM 0 H GLU A 43 5.089 4.610 1.636 1.00 0.00 H new ATOM 0 HA GLU A 43 3.470 6.547 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.971 6.400 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.032 6.740 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.749 8.947 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.149 8.617 3.438 1.00 0.00 H new ATOM 572 N GLU A 44 3.830 7.298 -0.283 1.00 0.00 N ATOM 573 CA GLU A 44 3.157 8.043 -1.381 1.00 0.00 C ATOM 574 C GLU A 44 2.053 7.181 -2.011 1.00 0.00 C ATOM 575 O GLU A 44 1.177 7.683 -2.687 1.00 0.00 O ATOM 576 CB GLU A 44 4.263 8.344 -2.398 1.00 0.00 C ATOM 577 CG GLU A 44 4.772 7.041 -3.023 1.00 0.00 C ATOM 578 CD GLU A 44 5.838 7.362 -4.072 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.632 8.293 -4.832 1.00 0.00 O ATOM 580 OE2 GLU A 44 6.842 6.669 -4.098 1.00 0.00 O ATOM 0 H GLU A 44 4.714 6.857 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 44 2.677 8.955 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.882 9.005 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.085 8.867 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.189 6.393 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.946 6.498 -3.483 1.00 0.00 H new ATOM 587 N ALA A 45 2.098 5.886 -1.816 1.00 0.00 N ATOM 588 CA ALA A 45 1.061 5.006 -2.427 1.00 0.00 C ATOM 589 C ALA A 45 -0.227 4.995 -1.604 1.00 0.00 C ATOM 590 O ALA A 45 -1.309 5.177 -2.127 1.00 0.00 O ATOM 591 CB ALA A 45 1.686 3.612 -2.433 1.00 0.00 C ATOM 0 H ALA A 45 2.806 5.404 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 45 0.785 5.353 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.985 2.901 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.602 3.627 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.918 3.313 -1.411 1.00 0.00 H new ATOM 597 N ALA A 46 -0.125 4.755 -0.331 1.00 0.00 N ATOM 598 CA ALA A 46 -1.353 4.700 0.509 1.00 0.00 C ATOM 599 C ALA A 46 -1.832 6.106 0.879 1.00 0.00 C ATOM 600 O ALA A 46 -2.975 6.301 1.236 1.00 0.00 O ATOM 601 CB ALA A 46 -0.945 3.905 1.747 1.00 0.00 C ATOM 0 H ALA A 46 0.751 4.595 0.165 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.188 4.234 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.797 3.818 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.616 2.910 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.130 4.419 2.257 1.00 0.00 H new ATOM 607 N GLN A 47 -0.982 7.092 0.790 1.00 0.00 N ATOM 608 CA GLN A 47 -1.425 8.474 1.132 1.00 0.00 C ATOM 609 C GLN A 47 -2.397 8.991 0.066 1.00 0.00 C ATOM 610 O GLN A 47 -3.157 9.909 0.300 1.00 0.00 O ATOM 611 CB GLN A 47 -0.153 9.322 1.147 1.00 0.00 C ATOM 612 CG GLN A 47 0.478 9.274 2.541 1.00 0.00 C ATOM 613 CD GLN A 47 -0.066 10.424 3.392 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.294 10.830 3.218 1.00 0.00 O flip ATOM 615 NE2 GLN A 47 0.635 10.959 4.228 1.00 0.00 N flip ATOM 0 H GLN A 47 -0.009 7.003 0.498 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.943 8.510 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.553 8.951 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.387 10.352 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.257 8.319 3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.563 9.348 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.595 10.644 4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.263 11.723 4.792 1.00 0.00 H new ATOM 624 N ILE A 48 -2.375 8.410 -1.105 1.00 0.00 N ATOM 625 CA ILE A 48 -3.296 8.874 -2.183 1.00 0.00 C ATOM 626 C ILE A 48 -4.751 8.545 -1.829 1.00 0.00 C ATOM 627 O ILE A 48 -5.668 9.216 -2.260 1.00 0.00 O ATOM 628 CB ILE A 48 -2.860 8.107 -3.432 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.436 8.521 -3.809 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.807 8.431 -4.590 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.858 7.516 -4.807 1.00 0.00 C ATOM 0 H ILE A 48 -1.761 7.637 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.247 9.953 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.889 7.036 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.440 9.520 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.811 8.564 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.495 7.884 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.822 8.139 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.779 9.501 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.156 7.812 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.839 6.524 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.478 7.495 -5.703 1.00 0.00 H new ATOM 643 N ARG A 49 -4.974 7.518 -1.053 1.00 0.00 N ATOM 644 CA ARG A 49 -6.376 7.159 -0.685 1.00 0.00 C ATOM 645 C ARG A 49 -7.095 8.377 -0.094 1.00 0.00 C ATOM 646 O ARG A 49 -8.301 8.498 -0.173 1.00 0.00 O ATOM 647 CB ARG A 49 -6.249 6.044 0.358 1.00 0.00 C ATOM 648 CG ARG A 49 -5.589 6.588 1.626 1.00 0.00 C ATOM 649 CD ARG A 49 -6.666 6.980 2.639 1.00 0.00 C ATOM 650 NE ARG A 49 -5.981 7.896 3.592 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.459 8.063 4.795 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.741 7.950 5.010 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.653 8.342 5.784 1.00 0.00 N ATOM 0 H ARG A 49 -4.251 6.915 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.958 6.836 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.234 5.642 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.658 5.222 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.928 5.835 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.971 7.453 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.506 7.474 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.065 6.104 3.151 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.138 8.393 3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.370 7.731 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.114 8.081 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.651 8.429 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.026 8.473 6.724 1.00 0.00 H new ATOM 667 N ASP A 50 -6.360 9.282 0.494 1.00 0.00 N ATOM 668 CA ASP A 50 -6.999 10.492 1.085 1.00 0.00 C ATOM 669 C ASP A 50 -7.304 11.512 -0.014 1.00 0.00 C ATOM 670 O ASP A 50 -8.307 12.196 0.021 1.00 0.00 O ATOM 671 CB ASP A 50 -5.964 11.048 2.065 1.00 0.00 C ATOM 672 CG ASP A 50 -6.659 11.454 3.365 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.326 10.613 3.945 1.00 0.00 O ATOM 674 OD2 ASP A 50 -6.513 12.600 3.759 1.00 0.00 O ATOM 0 H ASP A 50 -5.346 9.236 0.590 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.943 10.264 1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.200 10.298 2.268 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.458 11.908 1.627 1.00 0.00 H new ATOM 679 N GLN A 51 -6.445 11.618 -0.990 1.00 0.00 N ATOM 680 CA GLN A 51 -6.688 12.592 -2.093 1.00 0.00 C ATOM 681 C GLN A 51 -7.792 12.072 -3.017 1.00 0.00 C ATOM 682 O GLN A 51 -8.555 12.832 -3.578 1.00 0.00 O ATOM 683 CB GLN A 51 -5.359 12.683 -2.842 1.00 0.00 C ATOM 684 CG GLN A 51 -4.250 13.090 -1.869 1.00 0.00 C ATOM 685 CD GLN A 51 -2.891 12.958 -2.559 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.984 12.346 -2.029 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.709 13.511 -3.726 1.00 0.00 N ATOM 0 H GLN A 51 -5.586 11.074 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.013 13.565 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.121 11.723 -3.300 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.434 13.411 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.402 14.117 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.281 12.459 -0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.470 14.025 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.806 13.430 -4.194 1.00 0.00 H new ATOM 696 N LEU A 52 -7.883 10.780 -3.177 1.00 0.00 N ATOM 697 CA LEU A 52 -8.940 10.210 -4.063 1.00 0.00 C ATOM 698 C LEU A 52 -10.319 10.414 -3.432 1.00 0.00 C ATOM 699 O LEU A 52 -11.231 10.915 -4.061 1.00 0.00 O ATOM 700 CB LEU A 52 -8.610 8.719 -4.164 1.00 0.00 C ATOM 701 CG LEU A 52 -8.339 8.352 -5.624 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.588 8.628 -6.462 1.00 0.00 C ATOM 703 CD2 LEU A 52 -7.174 9.191 -6.154 1.00 0.00 C ATOM 0 H LEU A 52 -7.272 10.094 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.964 10.688 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.738 8.487 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.438 8.126 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.085 7.294 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.394 8.366 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.418 8.030 -6.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.844 9.685 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.981 8.929 -7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.427 10.249 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.283 8.993 -5.559 1.00 0.00 H new ATOM 715 N HIS A 53 -10.478 10.033 -2.195 1.00 0.00 N ATOM 716 CA HIS A 53 -11.799 10.208 -1.524 1.00 0.00 C ATOM 717 C HIS A 53 -12.087 11.696 -1.313 1.00 0.00 C ATOM 718 O HIS A 53 -13.210 12.144 -1.439 1.00 0.00 O ATOM 719 CB HIS A 53 -11.659 9.492 -0.180 1.00 0.00 C ATOM 720 CG HIS A 53 -11.804 8.009 -0.385 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.792 7.468 -1.192 1.00 0.00 N ATOM 722 CD2 HIS A 53 -11.095 6.942 0.107 1.00 0.00 C ATOM 723 CE1 HIS A 53 -12.651 6.129 -1.163 1.00 0.00 C ATOM 724 NE2 HIS A 53 -11.631 5.755 -0.386 1.00 0.00 N ATOM 0 H HIS A 53 -9.751 9.608 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.621 9.805 -2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.689 9.715 0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -12.418 9.850 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.249 7.012 0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.285 5.441 -1.702 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.313 4.805 -0.195 1.00 0.00 H new ATOM 732 N GLN A 54 -11.083 12.465 -0.993 1.00 0.00 N ATOM 733 CA GLN A 54 -11.300 13.924 -0.775 1.00 0.00 C ATOM 734 C GLN A 54 -11.603 14.616 -2.107 1.00 0.00 C ATOM 735 O GLN A 54 -12.472 15.460 -2.195 1.00 0.00 O ATOM 736 CB GLN A 54 -9.983 14.437 -0.191 1.00 0.00 C ATOM 737 CG GLN A 54 -10.166 15.878 0.291 1.00 0.00 C ATOM 738 CD GLN A 54 -8.929 16.314 1.079 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.336 17.334 0.786 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.512 15.579 2.073 1.00 0.00 N ATOM 0 H GLN A 54 -10.121 12.147 -0.873 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.143 14.123 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.668 13.802 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.196 14.391 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.320 16.541 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.055 15.953 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.010 14.723 2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.688 15.860 2.605 1.00 0.00 H new ATOM 749 N LEU A 55 -10.895 14.262 -3.144 1.00 0.00 N ATOM 750 CA LEU A 55 -11.144 14.898 -4.469 1.00 0.00 C ATOM 751 C LEU A 55 -12.608 14.710 -4.876 1.00 0.00 C ATOM 752 O LEU A 55 -13.186 15.539 -5.551 1.00 0.00 O ATOM 753 CB LEU A 55 -10.219 14.166 -5.442 1.00 0.00 C ATOM 754 CG LEU A 55 -8.862 14.871 -5.484 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.784 13.877 -5.920 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.921 16.027 -6.486 1.00 0.00 C ATOM 0 H LEU A 55 -10.155 13.560 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.952 15.971 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.093 13.129 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.662 14.148 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.622 15.257 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.817 14.379 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.742 13.051 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.024 13.492 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.955 16.531 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.160 15.639 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.690 16.736 -6.179 1.00 0.00 H new ATOM 768 N ARG A 56 -13.212 13.627 -4.469 1.00 0.00 N ATOM 769 CA ARG A 56 -14.638 13.388 -4.832 1.00 0.00 C ATOM 770 C ARG A 56 -15.505 14.557 -4.361 1.00 0.00 C ATOM 771 O ARG A 56 -16.239 15.148 -5.129 1.00 0.00 O ATOM 772 CB ARG A 56 -15.024 12.104 -4.095 1.00 0.00 C ATOM 773 CG ARG A 56 -16.508 11.812 -4.322 1.00 0.00 C ATOM 774 CD ARG A 56 -17.189 11.552 -2.976 1.00 0.00 C ATOM 775 NE ARG A 56 -18.022 10.337 -3.195 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.765 9.872 -2.228 1.00 0.00 C ATOM 777 NH1 ARG A 56 -20.065 9.936 -2.314 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.206 9.343 -1.173 1.00 0.00 N ATOM 0 H ARG A 56 -12.780 12.898 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.781 13.299 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -14.420 11.271 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.822 12.209 -3.029 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.983 12.655 -4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -16.624 10.946 -4.973 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.455 11.390 -2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.801 12.401 -2.673 1.00 0.00 H new ATOM 0 HE ARG A 56 -18.012 9.868 -4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.502 10.350 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.645 9.572 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.189 9.293 -1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.786 8.979 -0.417 1.00 0.00 H new ATOM 792 N GLU A 57 -15.425 14.899 -3.104 1.00 0.00 N ATOM 793 CA GLU A 57 -16.244 16.034 -2.586 1.00 0.00 C ATOM 794 C GLU A 57 -15.964 17.299 -3.402 1.00 0.00 C ATOM 795 O GLU A 57 -16.867 18.019 -3.779 1.00 0.00 O ATOM 796 CB GLU A 57 -15.795 16.221 -1.137 1.00 0.00 C ATOM 797 CG GLU A 57 -15.934 14.899 -0.381 1.00 0.00 C ATOM 798 CD GLU A 57 -16.039 15.176 1.120 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.575 16.222 1.544 1.00 0.00 O ATOM 800 OE2 GLU A 57 -16.584 14.338 1.820 1.00 0.00 O ATOM 0 H GLU A 57 -14.829 14.443 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.314 15.838 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.760 16.561 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.397 16.992 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.818 14.363 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.075 14.260 -0.584 1.00 0.00 H new ATOM 807 N LEU A 58 -14.719 17.572 -3.676 1.00 0.00 N ATOM 808 CA LEU A 58 -14.379 18.789 -4.467 1.00 0.00 C ATOM 809 C LEU A 58 -15.081 18.751 -5.827 1.00 0.00 C ATOM 810 O LEU A 58 -15.310 19.769 -6.448 1.00 0.00 O ATOM 811 CB LEU A 58 -12.861 18.735 -4.645 1.00 0.00 C ATOM 812 CG LEU A 58 -12.179 19.052 -3.313 1.00 0.00 C ATOM 813 CD1 LEU A 58 -10.661 18.993 -3.489 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.584 20.455 -2.855 1.00 0.00 C ATOM 0 H LEU A 58 -13.922 17.005 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.699 19.705 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.560 17.747 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.548 19.450 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.486 18.321 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.176 19.219 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.371 17.994 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.353 19.724 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.099 20.682 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.276 21.185 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.666 20.498 -2.729 1.00 0.00 H new ATOM 826 N PHE A 59 -15.424 17.582 -6.296 1.00 0.00 N ATOM 827 CA PHE A 59 -16.111 17.479 -7.615 1.00 0.00 C ATOM 828 C PHE A 59 -17.343 18.387 -7.642 1.00 0.00 C ATOM 829 O PHE A 59 -17.645 19.013 -8.639 1.00 0.00 O ATOM 830 CB PHE A 59 -16.526 16.012 -7.735 1.00 0.00 C ATOM 831 CG PHE A 59 -17.147 15.771 -9.089 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.523 16.023 -9.289 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.353 15.294 -10.156 1.00 0.00 C ATOM 834 CE1 PHE A 59 -19.104 15.798 -10.558 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.935 15.069 -11.424 1.00 0.00 C ATOM 836 CZ PHE A 59 -18.311 15.321 -11.624 1.00 0.00 C ATOM 0 H PHE A 59 -15.258 16.694 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.468 17.789 -8.439 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.658 15.366 -7.601 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.236 15.759 -6.948 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.130 16.387 -8.473 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.301 15.101 -10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.155 15.991 -10.712 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.328 14.705 -12.240 1.00 0.00 H new ATOM 0 HZ PHE A 59 -18.756 15.149 -12.593 1.00 0.00 H new ATOM 846 N ILE A 60 -18.057 18.467 -6.552 1.00 0.00 N ATOM 847 CA ILE A 60 -19.268 19.335 -6.515 1.00 0.00 C ATOM 848 C ILE A 60 -18.861 20.802 -6.346 1.00 0.00 C ATOM 849 O ILE A 60 -19.468 21.693 -6.905 1.00 0.00 O ATOM 850 CB ILE A 60 -20.062 18.855 -5.301 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.507 17.408 -5.523 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.292 19.743 -5.110 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.375 17.326 -6.781 1.00 0.00 C ATOM 0 H ILE A 60 -17.854 17.969 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 60 -19.851 19.271 -7.434 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.434 18.910 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -19.636 16.761 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.067 17.052 -4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.858 19.400 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -20.975 20.774 -4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.921 19.689 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.691 16.295 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -22.253 17.960 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.800 17.664 -7.643 1.00 0.00 H new ATOM 865 N ALA A 61 -17.837 21.058 -5.579 1.00 0.00 N ATOM 866 CA ALA A 61 -17.393 22.467 -5.377 1.00 0.00 C ATOM 867 C ALA A 61 -16.951 23.079 -6.708 1.00 0.00 C ATOM 868 O ALA A 61 -16.951 24.281 -6.881 1.00 0.00 O ATOM 869 CB ALA A 61 -16.211 22.374 -4.410 1.00 0.00 C ATOM 0 H ALA A 61 -17.289 20.354 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.190 23.100 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.825 23.374 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.540 21.918 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.424 21.764 -4.854 1.00 0.00 H new ATOM 875 N ALA A 62 -16.574 22.259 -7.652 1.00 0.00 N ATOM 876 CA ALA A 62 -16.133 22.793 -8.972 1.00 0.00 C ATOM 877 C ALA A 62 -17.240 22.611 -10.013 1.00 0.00 C ATOM 878 O ALA A 62 -17.805 23.566 -10.508 1.00 0.00 O ATOM 879 CB ALA A 62 -14.905 21.963 -9.345 1.00 0.00 C ATOM 0 H ALA A 62 -16.552 21.243 -7.566 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.908 23.859 -8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.520 22.296 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.136 22.089 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.183 20.911 -9.410 1.00 0.00 H new ATOM 1059 N PRO B 19 14.809 -19.009 13.224 1.00 0.00 N ATOM 1060 CA PRO B 19 14.048 -19.678 14.301 1.00 0.00 C ATOM 1061 C PRO B 19 12.677 -20.163 13.807 1.00 0.00 C ATOM 1062 O PRO B 19 11.785 -20.418 14.591 1.00 0.00 O ATOM 1063 CB PRO B 19 13.895 -18.582 15.349 1.00 0.00 C ATOM 1064 CG PRO B 19 13.997 -17.283 14.602 1.00 0.00 C ATOM 1065 CD PRO B 19 14.621 -17.557 13.252 1.00 0.00 C ATOM 0 HA PRO B 19 14.547 -20.570 14.679 1.00 0.00 H new ATOM 0 HB2 PRO B 19 12.937 -18.663 15.863 1.00 0.00 H new ATOM 0 HB3 PRO B 19 14.672 -18.657 16.110 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.010 -16.837 14.480 1.00 0.00 H new ATOM 0 HG3 PRO B 19 14.602 -16.570 15.162 1.00 0.00 H new ATOM 0 HD2 PRO B 19 13.974 -17.225 12.440 1.00 0.00 H new ATOM 0 HD3 PRO B 19 15.569 -17.032 13.139 1.00 0.00 H new ATOM 1073 N LYS B 20 12.509 -20.310 12.517 1.00 0.00 N ATOM 1074 CA LYS B 20 11.204 -20.798 11.957 1.00 0.00 C ATOM 1075 C LYS B 20 10.069 -19.800 12.229 1.00 0.00 C ATOM 1076 O LYS B 20 9.533 -19.201 11.319 1.00 0.00 O ATOM 1077 CB LYS B 20 10.926 -22.133 12.656 1.00 0.00 C ATOM 1078 CG LYS B 20 9.932 -22.947 11.827 1.00 0.00 C ATOM 1079 CD LYS B 20 8.514 -22.702 12.345 1.00 0.00 C ATOM 1080 CE LYS B 20 7.817 -24.045 12.581 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.361 -23.734 12.539 1.00 0.00 N ATOM 0 H LYS B 20 13.225 -20.112 11.818 1.00 0.00 H new ATOM 0 HA LYS B 20 11.259 -20.910 10.874 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.854 -22.691 12.780 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.524 -21.956 13.654 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.001 -22.664 10.777 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.174 -24.008 11.888 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.548 -22.130 13.272 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.950 -22.109 11.625 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.088 -24.771 11.814 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.102 -24.474 13.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.815 -24.606 12.693 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.131 -23.046 13.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.118 -23.333 11.611 1.00 0.00 H new ATOM 1095 N ALA B 21 9.692 -19.626 13.470 1.00 0.00 N ATOM 1096 CA ALA B 21 8.582 -18.678 13.799 1.00 0.00 C ATOM 1097 C ALA B 21 8.766 -17.344 13.066 1.00 0.00 C ATOM 1098 O ALA B 21 7.844 -16.813 12.481 1.00 0.00 O ATOM 1099 CB ALA B 21 8.676 -18.473 15.311 1.00 0.00 C ATOM 0 H ALA B 21 10.106 -20.100 14.273 1.00 0.00 H new ATOM 0 HA ALA B 21 7.611 -19.068 13.493 1.00 0.00 H new ATOM 0 HB1 ALA B 21 7.893 -17.787 15.635 1.00 0.00 H new ATOM 0 HB2 ALA B 21 8.551 -19.431 15.816 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.651 -18.055 15.562 1.00 0.00 H new ATOM 1105 N LEU B 22 9.953 -16.806 13.087 1.00 0.00 N ATOM 1106 CA LEU B 22 10.199 -15.513 12.386 1.00 0.00 C ATOM 1107 C LEU B 22 10.400 -15.777 10.898 1.00 0.00 C ATOM 1108 O LEU B 22 9.887 -15.075 10.049 1.00 0.00 O ATOM 1109 CB LEU B 22 11.482 -14.957 13.003 1.00 0.00 C ATOM 1110 CG LEU B 22 11.170 -14.333 14.362 1.00 0.00 C ATOM 1111 CD1 LEU B 22 10.757 -15.431 15.340 1.00 0.00 C ATOM 1112 CD2 LEU B 22 12.416 -13.621 14.893 1.00 0.00 C ATOM 0 H LEU B 22 10.764 -17.205 13.559 1.00 0.00 H new ATOM 0 HA LEU B 22 9.368 -14.816 12.491 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.217 -15.754 13.118 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.922 -14.211 12.341 1.00 0.00 H new ATOM 0 HG LEU B 22 10.358 -13.614 14.256 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.534 -14.988 16.311 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.871 -15.941 14.961 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.571 -16.148 15.447 1.00 0.00 H new ATOM 0 HD21 LEU B 22 12.195 -13.175 15.863 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.228 -14.340 15.001 1.00 0.00 H new ATOM 0 HD23 LEU B 22 12.714 -12.840 14.194 1.00 0.00 H new ATOM 1124 N GLN B 23 11.151 -16.793 10.583 1.00 0.00 N ATOM 1125 CA GLN B 23 11.402 -17.127 9.151 1.00 0.00 C ATOM 1126 C GLN B 23 10.078 -17.227 8.387 1.00 0.00 C ATOM 1127 O GLN B 23 9.887 -16.589 7.371 1.00 0.00 O ATOM 1128 CB GLN B 23 12.109 -18.482 9.178 1.00 0.00 C ATOM 1129 CG GLN B 23 12.778 -18.737 7.825 1.00 0.00 C ATOM 1130 CD GLN B 23 13.357 -20.153 7.800 1.00 0.00 C ATOM 1131 OE1 GLN B 23 14.549 -20.332 7.657 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.554 -21.174 7.932 1.00 0.00 N ATOM 0 H GLN B 23 11.605 -17.410 11.257 1.00 0.00 H new ATOM 0 HA GLN B 23 11.999 -16.365 8.650 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.854 -18.499 9.973 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.392 -19.274 9.396 1.00 0.00 H new ATOM 0 HG2 GLN B 23 12.053 -18.615 7.020 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.569 -18.006 7.655 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.552 -21.023 8.052 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.928 -22.123 7.915 1.00 0.00 H new ATOM 1141 N GLN B 24 9.161 -18.019 8.871 1.00 0.00 N ATOM 1142 CA GLN B 24 7.850 -18.155 8.174 1.00 0.00 C ATOM 1143 C GLN B 24 7.031 -16.872 8.337 1.00 0.00 C ATOM 1144 O GLN B 24 6.285 -16.484 7.460 1.00 0.00 O ATOM 1145 CB GLN B 24 7.154 -19.329 8.862 1.00 0.00 C ATOM 1146 CG GLN B 24 5.894 -19.705 8.080 1.00 0.00 C ATOM 1147 CD GLN B 24 4.656 -19.239 8.848 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.528 -19.493 10.029 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.732 -18.561 8.224 1.00 0.00 N ATOM 0 H GLN B 24 9.262 -18.578 9.718 1.00 0.00 H new ATOM 0 HA GLN B 24 7.966 -18.324 7.103 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.829 -20.183 8.918 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.893 -19.061 9.886 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.916 -19.245 7.092 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.856 -20.784 7.929 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.838 -18.347 7.232 1.00 0.00 H new ATOM 0 HE22 GLN B 24 2.903 -18.245 8.728 1.00 0.00 H new ATOM 1158 N LYS B 25 7.165 -16.211 9.455 1.00 0.00 N ATOM 1159 CA LYS B 25 6.394 -14.953 9.675 1.00 0.00 C ATOM 1160 C LYS B 25 6.897 -13.855 8.734 1.00 0.00 C ATOM 1161 O LYS B 25 6.130 -13.226 8.032 1.00 0.00 O ATOM 1162 CB LYS B 25 6.662 -14.575 11.132 1.00 0.00 C ATOM 1163 CG LYS B 25 5.635 -15.261 12.035 1.00 0.00 C ATOM 1164 CD LYS B 25 6.033 -15.067 13.500 1.00 0.00 C ATOM 1165 CE LYS B 25 4.850 -14.490 14.279 1.00 0.00 C ATOM 1166 NZ LYS B 25 5.285 -13.123 14.682 1.00 0.00 N ATOM 0 H LYS B 25 7.774 -16.487 10.225 1.00 0.00 H new ATOM 0 HA LYS B 25 5.330 -15.079 9.476 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.670 -14.875 11.417 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.605 -13.493 11.255 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.644 -14.844 11.858 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.580 -16.324 11.800 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.338 -16.019 13.934 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.889 -14.396 13.569 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.952 -14.453 13.663 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.614 -15.102 15.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 4.525 -12.662 15.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.138 -13.190 15.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.496 -12.561 13.833 1.00 0.00 H new ATOM 1180 N ILE B 26 8.181 -13.621 8.714 1.00 0.00 N ATOM 1181 CA ILE B 26 8.731 -12.564 7.817 1.00 0.00 C ATOM 1182 C ILE B 26 8.395 -12.882 6.357 1.00 0.00 C ATOM 1183 O ILE B 26 7.877 -12.054 5.635 1.00 0.00 O ATOM 1184 CB ILE B 26 10.242 -12.603 8.040 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.553 -12.230 9.492 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.924 -11.606 7.102 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.016 -12.551 9.800 1.00 0.00 C ATOM 0 H ILE B 26 8.872 -14.115 9.279 1.00 0.00 H new ATOM 0 HA ILE B 26 8.313 -11.581 8.032 1.00 0.00 H new ATOM 0 HB ILE B 26 10.613 -13.607 7.834 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.360 -11.170 9.655 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.899 -12.781 10.168 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.002 -11.635 7.262 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.703 -11.870 6.068 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.553 -10.602 7.307 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.237 -12.285 10.834 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.193 -13.616 9.653 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.662 -11.980 9.133 1.00 0.00 H new ATOM 1199 N HIS B 27 8.687 -14.076 5.919 1.00 0.00 N ATOM 1200 CA HIS B 27 8.384 -14.446 4.506 1.00 0.00 C ATOM 1201 C HIS B 27 6.875 -14.379 4.253 1.00 0.00 C ATOM 1202 O HIS B 27 6.432 -14.050 3.170 1.00 0.00 O ATOM 1203 CB HIS B 27 8.890 -15.881 4.357 1.00 0.00 C ATOM 1204 CG HIS B 27 9.267 -16.133 2.923 1.00 0.00 C ATOM 1205 ND1 HIS B 27 9.006 -17.338 2.291 1.00 0.00 N ATOM 1206 CD2 HIS B 27 9.888 -15.345 1.985 1.00 0.00 C ATOM 1207 CE1 HIS B 27 9.464 -17.242 1.029 1.00 0.00 C ATOM 1208 NE2 HIS B 27 10.010 -16.046 0.790 1.00 0.00 N ATOM 0 H HIS B 27 9.122 -14.811 6.477 1.00 0.00 H new ATOM 0 HA HIS B 27 8.855 -13.771 3.791 1.00 0.00 H new ATOM 0 HB2 HIS B 27 9.752 -16.043 5.005 1.00 0.00 H new ATOM 0 HB3 HIS B 27 8.119 -16.584 4.670 1.00 0.00 H new ATOM 0 HD2 HIS B 27 10.230 -14.334 2.150 1.00 0.00 H new ATOM 0 HE1 HIS B 27 9.398 -18.035 0.299 1.00 0.00 H new ATOM 0 HE2 HIS B 27 10.427 -15.718 -0.081 1.00 0.00 H new ATOM 1216 N GLU B 28 6.083 -14.691 5.241 1.00 0.00 N ATOM 1217 CA GLU B 28 4.603 -14.646 5.055 1.00 0.00 C ATOM 1218 C GLU B 28 4.096 -13.207 5.171 1.00 0.00 C ATOM 1219 O GLU B 28 3.232 -12.782 4.430 1.00 0.00 O ATOM 1220 CB GLU B 28 4.037 -15.507 6.185 1.00 0.00 C ATOM 1221 CG GLU B 28 2.524 -15.650 6.008 1.00 0.00 C ATOM 1222 CD GLU B 28 2.230 -16.713 4.950 1.00 0.00 C ATOM 1223 OE1 GLU B 28 3.001 -17.654 4.853 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.239 -16.570 4.252 1.00 0.00 O ATOM 0 H GLU B 28 6.395 -14.975 6.169 1.00 0.00 H new ATOM 0 HA GLU B 28 4.300 -15.009 4.073 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.509 -16.489 6.179 1.00 0.00 H new ATOM 0 HB3 GLU B 28 4.260 -15.052 7.150 1.00 0.00 H new ATOM 0 HG2 GLU B 28 2.061 -15.927 6.955 1.00 0.00 H new ATOM 0 HG3 GLU B 28 2.091 -14.695 5.709 1.00 0.00 H new ATOM 1231 N LEU B 29 4.625 -12.453 6.095 1.00 0.00 N ATOM 1232 CA LEU B 29 4.171 -11.041 6.257 1.00 0.00 C ATOM 1233 C LEU B 29 4.663 -10.187 5.086 1.00 0.00 C ATOM 1234 O LEU B 29 3.991 -9.274 4.647 1.00 0.00 O ATOM 1235 CB LEU B 29 4.804 -10.570 7.567 1.00 0.00 C ATOM 1236 CG LEU B 29 4.057 -11.191 8.748 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.922 -11.098 10.007 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.746 -10.435 8.975 1.00 0.00 C ATOM 0 H LEU B 29 5.352 -12.753 6.745 1.00 0.00 H new ATOM 0 HA LEU B 29 3.084 -10.957 6.275 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.856 -10.855 7.598 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.767 -9.483 7.631 1.00 0.00 H new ATOM 0 HG LEU B 29 3.842 -12.238 8.532 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.389 -11.541 10.848 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.857 -11.635 9.847 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.137 -10.052 10.224 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.212 -10.877 9.817 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.962 -9.389 9.191 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.128 -10.500 8.079 1.00 0.00 H new ATOM 1250 N GLU B 30 5.829 -10.473 4.578 1.00 0.00 N ATOM 1251 CA GLU B 30 6.363 -9.675 3.436 1.00 0.00 C ATOM 1252 C GLU B 30 5.438 -9.799 2.222 1.00 0.00 C ATOM 1253 O GLU B 30 5.172 -8.836 1.532 1.00 0.00 O ATOM 1254 CB GLU B 30 7.731 -10.286 3.132 1.00 0.00 C ATOM 1255 CG GLU B 30 8.506 -9.359 2.193 1.00 0.00 C ATOM 1256 CD GLU B 30 9.178 -10.189 1.098 1.00 0.00 C ATOM 1257 OE1 GLU B 30 8.464 -10.745 0.280 1.00 0.00 O ATOM 1258 OE2 GLU B 30 10.397 -10.255 1.096 1.00 0.00 O ATOM 0 H GLU B 30 6.437 -11.225 4.903 1.00 0.00 H new ATOM 0 HA GLU B 30 6.433 -8.613 3.673 1.00 0.00 H new ATOM 0 HB2 GLU B 30 8.289 -10.434 4.057 1.00 0.00 H new ATOM 0 HB3 GLU B 30 7.609 -11.267 2.673 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.831 -8.628 1.748 1.00 0.00 H new ATOM 0 HG3 GLU B 30 9.256 -8.801 2.753 1.00 0.00 H new ATOM 1265 N GLY B 31 4.947 -10.978 1.956 1.00 0.00 N ATOM 1266 CA GLY B 31 4.042 -11.162 0.785 1.00 0.00 C ATOM 1267 C GLY B 31 2.629 -10.702 1.149 1.00 0.00 C ATOM 1268 O GLY B 31 1.835 -10.368 0.293 1.00 0.00 O ATOM 0 H GLY B 31 5.133 -11.822 2.498 1.00 0.00 H new ATOM 0 HA2 GLY B 31 4.413 -10.592 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY B 31 4.028 -12.210 0.485 1.00 0.00 H new ATOM 1272 N LEU B 32 2.306 -10.683 2.414 1.00 0.00 N ATOM 1273 CA LEU B 32 0.943 -10.245 2.830 1.00 0.00 C ATOM 1274 C LEU B 32 0.724 -8.773 2.471 1.00 0.00 C ATOM 1275 O LEU B 32 -0.393 -8.313 2.348 1.00 0.00 O ATOM 1276 CB LEU B 32 0.911 -10.438 4.346 1.00 0.00 C ATOM 1277 CG LEU B 32 -0.530 -10.669 4.802 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -0.916 -12.129 4.560 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -0.649 -10.352 6.295 1.00 0.00 C ATOM 0 H LEU B 32 2.927 -10.952 3.177 1.00 0.00 H new ATOM 0 HA LEU B 32 0.158 -10.812 2.330 1.00 0.00 H new ATOM 0 HB2 LEU B 32 1.533 -11.287 4.628 1.00 0.00 H new ATOM 0 HB3 LEU B 32 1.325 -9.561 4.843 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.198 -10.019 4.237 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -1.943 -12.292 4.885 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -0.831 -12.356 3.497 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.249 -12.780 5.125 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.676 -10.516 6.621 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.019 -11.002 6.859 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.375 -9.311 6.469 1.00 0.00 H new ATOM 1291 N MET B 33 1.784 -8.029 2.306 1.00 0.00 N ATOM 1292 CA MET B 33 1.635 -6.585 1.957 1.00 0.00 C ATOM 1293 C MET B 33 1.003 -6.436 0.571 1.00 0.00 C ATOM 1294 O MET B 33 -0.019 -5.800 0.410 1.00 0.00 O ATOM 1295 CB MET B 33 3.057 -6.029 1.962 1.00 0.00 C ATOM 1296 CG MET B 33 3.453 -5.654 3.391 1.00 0.00 C ATOM 1297 SD MET B 33 5.140 -6.222 3.718 1.00 0.00 S ATOM 1298 CE MET B 33 5.995 -4.970 2.731 1.00 0.00 C ATOM 0 H MET B 33 2.746 -8.357 2.397 1.00 0.00 H new ATOM 0 HA MET B 33 0.988 -6.056 2.657 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.750 -6.770 1.564 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.119 -5.154 1.315 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.389 -4.574 3.526 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.761 -6.106 4.102 1.00 0.00 H new ATOM 0 HE1 MET B 33 7.068 -5.031 2.915 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.798 -5.144 1.673 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.635 -3.979 3.009 1.00 0.00 H new ATOM 1308 N MET B 34 1.603 -7.017 -0.432 1.00 0.00 N ATOM 1309 CA MET B 34 1.036 -6.907 -1.808 1.00 0.00 C ATOM 1310 C MET B 34 -0.442 -7.307 -1.806 1.00 0.00 C ATOM 1311 O MET B 34 -1.244 -6.762 -2.536 1.00 0.00 O ATOM 1312 CB MET B 34 1.855 -7.884 -2.652 1.00 0.00 C ATOM 1313 CG MET B 34 2.170 -7.248 -4.008 1.00 0.00 C ATOM 1314 SD MET B 34 3.904 -6.730 -4.044 1.00 0.00 S ATOM 1315 CE MET B 34 3.708 -5.215 -3.075 1.00 0.00 C ATOM 0 H MET B 34 2.461 -7.563 -0.359 1.00 0.00 H new ATOM 0 HA MET B 34 1.088 -5.890 -2.196 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.780 -8.141 -2.135 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.301 -8.812 -2.794 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.976 -7.960 -4.810 1.00 0.00 H new ATOM 0 HG3 MET B 34 1.520 -6.390 -4.179 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.609 -4.608 -3.162 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.854 -4.651 -3.450 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.543 -5.471 -2.028 1.00 0.00 H new ATOM 1325 N GLN B 35 -0.805 -8.257 -0.988 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.230 -8.694 -0.936 1.00 0.00 C ATOM 1327 C GLN B 35 -3.127 -7.523 -0.522 1.00 0.00 C ATOM 1328 O GLN B 35 -3.829 -6.949 -1.331 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.262 -9.802 0.118 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.705 -10.257 0.347 1.00 0.00 C ATOM 1331 CD GLN B 35 -3.914 -11.632 -0.289 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.655 -11.767 -1.241 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.287 -12.666 0.202 1.00 0.00 N ATOM 0 H GLN B 35 -0.177 -8.750 -0.353 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.595 -9.042 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.653 -10.645 -0.208 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -1.832 -9.441 1.052 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -3.918 -10.303 1.415 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.398 -9.535 -0.086 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.664 -12.552 1.002 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.420 -13.588 -0.214 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.113 -7.166 0.734 1.00 0.00 N ATOM 1343 CA HIS B 36 -3.967 -6.036 1.201 1.00 0.00 C ATOM 1344 C HIS B 36 -3.740 -4.797 0.324 1.00 0.00 C ATOM 1345 O HIS B 36 -4.676 -4.155 -0.107 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.524 -5.782 2.642 1.00 0.00 C ATOM 1347 CG HIS B 36 -3.969 -6.926 3.510 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.301 -7.292 3.623 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -3.271 -7.798 4.309 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.363 -8.343 4.462 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -4.153 -8.691 4.909 1.00 0.00 N ATOM 0 H HIS B 36 -2.546 -7.609 1.458 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.031 -6.263 1.140 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.440 -5.677 2.688 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -3.951 -4.847 3.006 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -2.200 -7.791 4.450 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.279 -8.844 4.740 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -3.925 -9.449 5.552 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.506 -4.464 0.044 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.229 -3.278 -0.820 1.00 0.00 C ATOM 1361 C ALA B 37 -3.012 -3.417 -2.131 1.00 0.00 C ATOM 1362 O ALA B 37 -3.551 -2.461 -2.650 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.723 -3.326 -1.086 1.00 0.00 C ATOM 0 H ALA B 37 -1.680 -4.961 0.376 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.525 -2.337 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.438 -2.484 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.184 -3.269 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.472 -4.259 -1.591 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.087 -4.613 -2.658 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.848 -4.828 -3.922 1.00 0.00 C ATOM 1371 C GLN B 38 -5.335 -4.587 -3.663 1.00 0.00 C ATOM 1372 O GLN B 38 -6.053 -4.086 -4.506 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.595 -6.289 -4.299 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.545 -6.355 -5.410 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.834 -7.708 -5.360 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -2.107 -8.521 -4.498 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -0.926 -7.988 -6.254 1.00 0.00 N ATOM 0 H GLN B 38 -2.653 -5.449 -2.266 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.540 -4.152 -4.720 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.253 -6.847 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.522 -6.756 -4.632 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -3.019 -6.217 -6.382 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.822 -5.548 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -0.696 -7.307 -6.978 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -0.446 -8.888 -6.229 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.796 -4.921 -2.486 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.230 -4.690 -2.150 1.00 0.00 C ATOM 1388 C ASN B 39 -7.417 -3.255 -1.640 1.00 0.00 C ATOM 1389 O ASN B 39 -8.480 -2.878 -1.187 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.545 -5.699 -1.045 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.352 -7.119 -1.579 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.777 -7.312 -2.632 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.810 -8.129 -0.891 1.00 0.00 N ATOM 0 H ASN B 39 -5.240 -5.344 -1.743 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.887 -4.815 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.894 -5.530 -0.188 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.570 -5.566 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.685 -9.080 -1.237 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.293 -7.967 -0.007 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.385 -2.449 -1.718 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.472 -1.034 -1.255 1.00 0.00 C ATOM 1402 C LEU B 40 -6.710 -0.959 0.253 1.00 0.00 C ATOM 1403 O LEU B 40 -7.092 0.067 0.778 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.637 -0.408 -2.025 1.00 0.00 C ATOM 1405 CG LEU B 40 -7.115 0.753 -2.870 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -8.058 0.995 -4.049 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.043 2.016 -2.007 1.00 0.00 C ATOM 0 H LEU B 40 -5.474 -2.719 -2.089 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.540 -0.501 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.109 -1.155 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.399 -0.054 -1.331 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.121 0.510 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.684 1.824 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.111 0.096 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.053 1.238 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.671 2.846 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.037 2.257 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.369 1.845 -1.167 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.456 -2.022 0.961 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.637 -1.978 2.439 1.00 0.00 C ATOM 1421 C GLU B 41 -5.623 -0.987 3.009 1.00 0.00 C ATOM 1422 O GLU B 41 -5.965 -0.075 3.733 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.348 -3.399 2.925 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.542 -4.300 2.604 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.681 -4.009 3.583 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.676 -2.937 4.165 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -9.539 -4.863 3.733 1.00 0.00 O ATOM 0 H GLU B 41 -6.133 -2.914 0.585 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.633 -1.661 2.747 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.449 -3.784 2.444 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.159 -3.396 3.998 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.876 -4.128 1.581 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.249 -5.348 2.672 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.378 -1.156 2.638 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.284 -0.238 3.087 1.00 0.00 C ATOM 1436 C PHE B 42 -3.091 -0.242 4.604 1.00 0.00 C ATOM 1437 O PHE B 42 -2.006 -0.510 5.081 1.00 0.00 O ATOM 1438 CB PHE B 42 -3.687 1.157 2.595 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.035 1.438 1.262 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.661 1.166 1.076 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -3.798 1.978 0.202 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.050 1.434 -0.168 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.186 2.246 -1.042 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.811 1.974 -1.226 1.00 0.00 C ATOM 0 H PHE B 42 -4.066 -1.911 2.027 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.327 -0.562 2.678 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -4.771 1.220 2.500 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.386 1.910 3.323 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.078 0.753 1.886 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -4.848 2.186 0.343 1.00 0.00 H new ATOM 0 HE1 PHE B 42 0.000 1.226 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.768 2.659 -1.853 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.343 2.180 -2.177 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.107 0.057 5.369 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.946 0.067 6.854 1.00 0.00 C ATOM 1456 C GLU B 43 -3.214 -1.199 7.303 1.00 0.00 C ATOM 1457 O GLU B 43 -2.144 -1.145 7.870 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.373 0.094 7.408 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.336 -0.050 8.930 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.734 -0.402 9.444 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.418 -1.157 8.773 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.096 0.090 10.500 1.00 0.00 O ATOM 0 H GLU B 43 -5.040 0.294 5.032 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.362 0.917 7.207 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.863 1.028 7.133 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.959 -0.714 6.970 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.626 -0.826 9.215 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.993 0.879 9.386 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.783 -2.333 7.031 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.122 -3.610 7.416 1.00 0.00 C ATOM 1471 C GLU B 44 -2.048 -3.987 6.386 1.00 0.00 C ATOM 1472 O GLU B 44 -1.179 -4.792 6.654 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.247 -4.651 7.440 1.00 0.00 C ATOM 1474 CG GLU B 44 -4.792 -4.868 6.025 1.00 0.00 C ATOM 1475 CD GLU B 44 -5.876 -5.947 6.056 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.672 -6.944 6.728 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -6.892 -5.757 5.407 1.00 0.00 O ATOM 0 H GLU B 44 -4.680 -2.435 6.557 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.618 -3.540 8.380 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -3.874 -5.592 7.843 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.048 -4.317 8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.202 -3.936 5.635 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -3.986 -5.167 5.355 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.110 -3.429 5.202 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.102 -3.781 4.159 1.00 0.00 C ATOM 1486 C ALA B 45 0.204 -3.012 4.355 1.00 0.00 C ATOM 1487 O ALA B 45 1.277 -3.583 4.355 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.751 -3.378 2.836 1.00 0.00 C ATOM 0 H ALA B 45 -2.813 -2.748 4.915 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.843 -4.839 4.200 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.072 -3.604 2.014 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.680 -3.932 2.703 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.965 -2.309 2.846 1.00 0.00 H new ATOM 1494 N ALA B 46 0.128 -1.721 4.491 1.00 0.00 N ATOM 1495 CA ALA B 46 1.374 -0.922 4.650 1.00 0.00 C ATOM 1496 C ALA B 46 1.884 -0.978 6.092 1.00 0.00 C ATOM 1497 O ALA B 46 3.038 -0.711 6.353 1.00 0.00 O ATOM 1498 CB ALA B 46 0.982 0.499 4.251 1.00 0.00 C ATOM 0 H ALA B 46 -0.739 -1.184 4.499 1.00 0.00 H new ATOM 0 HA ALA B 46 2.189 -1.305 4.035 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.848 1.154 4.341 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.629 0.503 3.220 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.188 0.855 4.907 1.00 0.00 H new ATOM 1504 N GLN B 47 1.050 -1.330 7.030 1.00 0.00 N ATOM 1505 CA GLN B 47 1.524 -1.405 8.442 1.00 0.00 C ATOM 1506 C GLN B 47 2.480 -2.591 8.611 1.00 0.00 C ATOM 1507 O GLN B 47 3.260 -2.643 9.540 1.00 0.00 O ATOM 1508 CB GLN B 47 0.267 -1.611 9.288 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.333 -0.250 9.654 1.00 0.00 C ATOM 1510 CD GLN B 47 0.250 0.229 10.986 1.00 0.00 C ATOM 1511 OE1 GLN B 47 1.481 -0.077 11.297 1.00 0.00 O flip ATOM 1512 NE2 GLN B 47 -0.423 0.889 11.753 1.00 0.00 N flip ATOM 0 H GLN B 47 0.069 -1.567 6.884 1.00 0.00 H new ATOM 0 HA GLN B 47 2.065 -0.506 8.739 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.462 -2.205 8.736 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.512 -2.167 10.193 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.118 0.476 8.870 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.418 -0.328 9.728 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -1.385 1.129 11.511 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -0.026 1.203 12.639 1.00 0.00 H new ATOM 1521 N ILE B 48 2.421 -3.546 7.721 1.00 0.00 N ATOM 1522 CA ILE B 48 3.324 -4.727 7.837 1.00 0.00 C ATOM 1523 C ILE B 48 4.781 -4.320 7.589 1.00 0.00 C ATOM 1524 O ILE B 48 5.698 -4.940 8.088 1.00 0.00 O ATOM 1525 CB ILE B 48 2.846 -5.698 6.757 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.420 -6.153 7.078 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.770 -6.916 6.715 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.803 -6.811 5.843 1.00 0.00 C ATOM 0 H ILE B 48 1.788 -3.559 6.921 1.00 0.00 H new ATOM 0 HA ILE B 48 3.290 -5.171 8.832 1.00 0.00 H new ATOM 0 HB ILE B 48 2.862 -5.198 5.788 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.430 -6.856 7.911 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.816 -5.300 7.388 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.427 -7.606 5.944 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.786 -6.594 6.488 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.756 -7.417 7.683 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.212 -7.135 6.072 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.779 -6.094 5.022 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.402 -7.674 5.553 1.00 0.00 H new ATOM 1540 N ARG B 49 5.005 -3.287 6.821 1.00 0.00 N ATOM 1541 CA ARG B 49 6.408 -2.856 6.552 1.00 0.00 C ATOM 1542 C ARG B 49 7.161 -2.651 7.870 1.00 0.00 C ATOM 1543 O ARG B 49 8.367 -2.780 7.936 1.00 0.00 O ATOM 1544 CB ARG B 49 6.287 -1.536 5.782 1.00 0.00 C ATOM 1545 CG ARG B 49 5.665 -0.464 6.681 1.00 0.00 C ATOM 1546 CD ARG B 49 6.773 0.374 7.321 1.00 0.00 C ATOM 1547 NE ARG B 49 6.125 1.039 8.486 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.633 2.135 8.977 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.918 2.351 8.902 1.00 0.00 N ATOM 1550 NH2 ARG B 49 5.856 3.017 9.545 1.00 0.00 N ATOM 0 H ARG B 49 4.282 -2.726 6.371 1.00 0.00 H new ATOM 0 HA ARG B 49 6.965 -3.601 5.984 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.270 -1.212 5.442 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.673 -1.678 4.893 1.00 0.00 H new ATOM 0 HG2 ARG B 49 5.003 0.175 6.097 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.056 -0.932 7.454 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.609 -0.251 7.637 1.00 0.00 H new ATOM 0 HD3 ARG B 49 7.170 1.107 6.618 1.00 0.00 H new ATOM 0 HE ARG B 49 5.284 0.637 8.900 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.526 1.662 8.459 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.314 3.209 9.286 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.852 2.849 9.605 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.253 3.874 9.929 1.00 0.00 H new ATOM 1564 N ASP B 50 6.455 -2.333 8.922 1.00 0.00 N ATOM 1565 CA ASP B 50 7.127 -2.122 10.235 1.00 0.00 C ATOM 1566 C ASP B 50 7.424 -3.471 10.892 1.00 0.00 C ATOM 1567 O ASP B 50 8.439 -3.651 11.535 1.00 0.00 O ATOM 1568 CB ASP B 50 6.126 -1.325 11.070 1.00 0.00 C ATOM 1569 CG ASP B 50 6.858 -0.207 11.815 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.523 0.578 11.160 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.740 -0.154 13.028 1.00 0.00 O ATOM 0 H ASP B 50 5.442 -2.210 8.928 1.00 0.00 H new ATOM 0 HA ASP B 50 8.078 -1.599 10.136 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.354 -0.903 10.426 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.624 -1.982 11.780 1.00 0.00 H new ATOM 1576 N GLN B 51 6.545 -4.424 10.734 1.00 0.00 N ATOM 1577 CA GLN B 51 6.779 -5.763 11.348 1.00 0.00 C ATOM 1578 C GLN B 51 7.852 -6.519 10.561 1.00 0.00 C ATOM 1579 O GLN B 51 8.615 -7.286 11.113 1.00 0.00 O ATOM 1580 CB GLN B 51 5.434 -6.483 11.251 1.00 0.00 C ATOM 1581 CG GLN B 51 4.356 -5.647 11.945 1.00 0.00 C ATOM 1582 CD GLN B 51 2.979 -6.247 11.652 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.075 -5.549 11.237 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.779 -7.520 11.853 1.00 0.00 N ATOM 0 H GLN B 51 5.676 -4.333 10.207 1.00 0.00 H new ATOM 0 HA GLN B 51 7.128 -5.693 12.378 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.169 -6.642 10.206 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.502 -7.467 11.716 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.534 -5.625 13.020 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.398 -4.616 11.594 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.537 -8.107 12.201 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.864 -7.929 11.662 1.00 0.00 H new ATOM 1593 N LEU B 52 7.917 -6.304 9.275 1.00 0.00 N ATOM 1594 CA LEU B 52 8.944 -7.009 8.453 1.00 0.00 C ATOM 1595 C LEU B 52 10.341 -6.487 8.797 1.00 0.00 C ATOM 1596 O LEU B 52 11.247 -7.248 9.076 1.00 0.00 O ATOM 1597 CB LEU B 52 8.588 -6.674 7.003 1.00 0.00 C ATOM 1598 CG LEU B 52 8.276 -7.964 6.241 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.510 -8.868 6.237 1.00 0.00 C ATOM 1600 CD2 LEU B 52 7.113 -8.691 6.920 1.00 0.00 C ATOM 0 H LEU B 52 7.305 -5.672 8.758 1.00 0.00 H new ATOM 0 HA LEU B 52 8.952 -8.084 8.632 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.728 -6.005 6.974 1.00 0.00 H new ATOM 0 HB3 LEU B 52 9.416 -6.149 6.526 1.00 0.00 H new ATOM 0 HG LEU B 52 8.002 -7.720 5.215 1.00 0.00 H new ATOM 0 HD11 LEU B 52 9.287 -9.786 5.694 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.338 -8.352 5.751 1.00 0.00 H new ATOM 0 HD13 LEU B 52 9.786 -9.111 7.263 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.891 -9.610 6.377 1.00 0.00 H new ATOM 0 HD22 LEU B 52 7.386 -8.934 7.947 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.233 -8.048 6.920 1.00 0.00 H new ATOM 1612 N HIS B 53 10.522 -5.195 8.781 1.00 0.00 N ATOM 1613 CA HIS B 53 11.860 -4.625 9.110 1.00 0.00 C ATOM 1614 C HIS B 53 12.179 -4.853 10.590 1.00 0.00 C ATOM 1615 O HIS B 53 13.305 -5.121 10.958 1.00 0.00 O ATOM 1616 CB HIS B 53 11.740 -3.131 8.810 1.00 0.00 C ATOM 1617 CG HIS B 53 11.856 -2.905 7.327 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.815 -3.542 6.555 1.00 0.00 N ATOM 1619 CD2 HIS B 53 11.139 -2.117 6.460 1.00 0.00 C ATOM 1620 CE1 HIS B 53 12.653 -3.130 5.285 1.00 0.00 C ATOM 1621 NE2 HIS B 53 11.645 -2.260 5.171 1.00 0.00 N ATOM 0 H HIS B 53 9.802 -4.509 8.554 1.00 0.00 H new ATOM 0 HA HIS B 53 12.661 -5.091 8.536 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.784 -2.752 9.172 1.00 0.00 H new ATOM 0 HB3 HIS B 53 12.521 -2.580 9.335 1.00 0.00 H new ATOM 0 HD2 HIS B 53 10.309 -1.483 6.736 1.00 0.00 H new ATOM 0 HE1 HIS B 53 13.263 -3.462 4.458 1.00 0.00 H new ATOM 0 HE2 HIS B 53 11.317 -1.800 4.322 1.00 0.00 H new ATOM 1629 N GLN B 54 11.195 -4.749 11.440 1.00 0.00 N ATOM 1630 CA GLN B 54 11.441 -4.961 12.895 1.00 0.00 C ATOM 1631 C GLN B 54 11.726 -6.439 13.171 1.00 0.00 C ATOM 1632 O GLN B 54 12.606 -6.780 13.936 1.00 0.00 O ATOM 1633 CB GLN B 54 10.147 -4.525 13.584 1.00 0.00 C ATOM 1634 CG GLN B 54 10.366 -4.477 15.098 1.00 0.00 C ATOM 1635 CD GLN B 54 9.155 -3.825 15.768 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.573 -4.386 16.675 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.748 -2.655 15.357 1.00 0.00 N ATOM 0 H GLN B 54 10.231 -4.526 11.190 1.00 0.00 H new ATOM 0 HA GLN B 54 12.302 -4.399 13.255 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.841 -3.545 13.219 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.343 -5.220 13.344 1.00 0.00 H new ATOM 0 HG2 GLN B 54 10.512 -5.485 15.487 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.270 -3.913 15.328 1.00 0.00 H new ATOM 0 HE21 GLN B 54 9.236 -2.184 14.596 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.942 -2.212 15.797 1.00 0.00 H new ATOM 1646 N LEU B 55 10.987 -7.320 12.553 1.00 0.00 N ATOM 1647 CA LEU B 55 11.217 -8.775 12.778 1.00 0.00 C ATOM 1648 C LEU B 55 12.668 -9.138 12.450 1.00 0.00 C ATOM 1649 O LEU B 55 13.244 -10.030 13.038 1.00 0.00 O ATOM 1650 CB LEU B 55 10.257 -9.482 11.821 1.00 0.00 C ATOM 1651 CG LEU B 55 8.912 -9.701 12.515 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.806 -9.815 11.463 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.967 -10.991 13.336 1.00 0.00 C ATOM 0 H LEU B 55 10.234 -7.095 11.902 1.00 0.00 H new ATOM 0 HA LEU B 55 11.044 -9.065 13.815 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.120 -8.885 10.920 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.677 -10.438 11.509 1.00 0.00 H new ATOM 0 HG LEU B 55 8.702 -8.858 13.173 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.848 -9.971 11.958 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.766 -8.897 10.876 1.00 0.00 H new ATOM 0 HD13 LEU B 55 8.016 -10.658 10.804 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.009 -11.148 13.831 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.177 -11.833 12.677 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.754 -10.912 14.086 1.00 0.00 H new ATOM 1665 N ARG B 56 13.262 -8.448 11.514 1.00 0.00 N ATOM 1666 CA ARG B 56 14.676 -8.752 11.148 1.00 0.00 C ATOM 1667 C ARG B 56 15.572 -8.651 12.385 1.00 0.00 C ATOM 1668 O ARG B 56 16.298 -9.568 12.714 1.00 0.00 O ATOM 1669 CB ARG B 56 15.056 -7.687 10.120 1.00 0.00 C ATOM 1670 CG ARG B 56 16.530 -7.846 9.741 1.00 0.00 C ATOM 1671 CD ARG B 56 17.238 -6.495 9.861 1.00 0.00 C ATOM 1672 NE ARG B 56 18.045 -6.372 8.615 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.801 -5.325 8.429 1.00 0.00 C ATOM 1674 NH1 ARG B 56 20.100 -5.449 8.436 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.259 -4.154 8.236 1.00 0.00 N ATOM 0 H ARG B 56 12.831 -7.688 10.988 1.00 0.00 H new ATOM 0 HA ARG B 56 14.795 -9.760 10.751 1.00 0.00 H new ATOM 0 HB2 ARG B 56 14.429 -7.782 9.233 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.880 -6.692 10.529 1.00 0.00 H new ATOM 0 HG2 ARG B 56 17.007 -8.577 10.393 1.00 0.00 H new ATOM 0 HG3 ARG B 56 16.616 -8.224 8.722 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.520 -5.679 9.949 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.872 -6.459 10.747 1.00 0.00 H new ATOM 0 HE ARG B 56 18.007 -7.106 7.908 1.00 0.00 H new ATOM 0 HH11 ARG B 56 20.524 -6.364 8.587 1.00 0.00 H new ATOM 0 HH12 ARG B 56 20.691 -4.631 8.291 1.00 0.00 H new ATOM 0 HH21 ARG B 56 17.244 -4.057 8.230 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.851 -3.336 8.091 1.00 0.00 H new ATOM 1689 N GLU B 57 15.528 -7.543 13.072 1.00 0.00 N ATOM 1690 CA GLU B 57 16.378 -7.385 14.288 1.00 0.00 C ATOM 1691 C GLU B 57 16.100 -8.522 15.273 1.00 0.00 C ATOM 1692 O GLU B 57 17.006 -9.105 15.837 1.00 0.00 O ATOM 1693 CB GLU B 57 15.966 -6.041 14.892 1.00 0.00 C ATOM 1694 CG GLU B 57 16.100 -4.941 13.836 1.00 0.00 C ATOM 1695 CD GLU B 57 16.244 -3.585 14.528 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.808 -3.469 15.661 1.00 0.00 O ATOM 1697 OE2 GLU B 57 16.789 -2.683 13.912 1.00 0.00 O ATOM 0 H GLU B 57 14.941 -6.740 12.845 1.00 0.00 H new ATOM 0 HA GLU B 57 17.442 -7.416 14.055 1.00 0.00 H new ATOM 0 HB2 GLU B 57 14.938 -6.092 15.250 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.593 -5.810 15.753 1.00 0.00 H new ATOM 0 HG2 GLU B 57 16.967 -5.133 13.204 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.226 -4.938 13.185 1.00 0.00 H new ATOM 1704 N LEU B 58 14.853 -8.842 15.486 1.00 0.00 N ATOM 1705 CA LEU B 58 14.516 -9.942 16.435 1.00 0.00 C ATOM 1706 C LEU B 58 15.185 -11.246 15.993 1.00 0.00 C ATOM 1707 O LEU B 58 15.416 -12.136 16.787 1.00 0.00 O ATOM 1708 CB LEU B 58 12.993 -10.069 16.366 1.00 0.00 C ATOM 1709 CG LEU B 58 12.347 -8.872 17.065 1.00 0.00 C ATOM 1710 CD1 LEU B 58 10.825 -8.998 16.992 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.786 -8.842 18.531 1.00 0.00 C ATOM 0 H LEU B 58 14.053 -8.390 15.044 1.00 0.00 H new ATOM 0 HA LEU B 58 14.863 -9.736 17.448 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.668 -10.115 15.326 1.00 0.00 H new ATOM 0 HB3 LEU B 58 12.673 -10.997 16.841 1.00 0.00 H new ATOM 0 HG LEU B 58 12.659 -7.951 16.572 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.365 -8.145 17.490 1.00 0.00 H new ATOM 0 HD12 LEU B 58 10.511 -9.021 15.948 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.512 -9.918 17.485 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.327 -7.989 19.031 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.474 -9.763 19.023 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.871 -8.752 18.584 1.00 0.00 H new ATOM 1723 N PHE B 59 15.498 -11.366 14.731 1.00 0.00 N ATOM 1724 CA PHE B 59 16.152 -12.614 14.242 1.00 0.00 C ATOM 1725 C PHE B 59 17.398 -12.920 15.077 1.00 0.00 C ATOM 1726 O PHE B 59 17.687 -14.060 15.384 1.00 0.00 O ATOM 1727 CB PHE B 59 16.540 -12.316 12.793 1.00 0.00 C ATOM 1728 CG PHE B 59 17.125 -13.557 12.161 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.499 -13.845 12.314 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.298 -14.429 11.419 1.00 0.00 C ATOM 1731 CE1 PHE B 59 19.048 -15.005 11.724 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.847 -15.589 10.828 1.00 0.00 C ATOM 1733 CZ PHE B 59 18.222 -15.878 10.980 1.00 0.00 C ATOM 0 H PHE B 59 15.330 -10.656 14.019 1.00 0.00 H new ATOM 0 HA PHE B 59 15.496 -13.481 14.319 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.665 -11.987 12.232 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.264 -11.502 12.760 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.130 -13.178 12.882 1.00 0.00 H new ATOM 0 HD2 PHE B 59 15.247 -14.209 11.303 1.00 0.00 H new ATOM 0 HE1 PHE B 59 20.099 -15.225 11.841 1.00 0.00 H new ATOM 0 HE2 PHE B 59 16.215 -16.255 10.260 1.00 0.00 H new ATOM 0 HZ PHE B 59 18.641 -16.765 10.528 1.00 0.00 H new ATOM 1743 N ILE B 60 18.138 -11.912 15.447 1.00 0.00 N ATOM 1744 CA ILE B 60 19.364 -12.144 16.262 1.00 0.00 C ATOM 1745 C ILE B 60 18.986 -12.395 17.725 1.00 0.00 C ATOM 1746 O ILE B 60 19.595 -13.195 18.406 1.00 0.00 O ATOM 1747 CB ILE B 60 20.178 -10.857 16.131 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.594 -10.666 14.671 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.428 -10.951 17.008 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.430 -11.863 14.213 1.00 0.00 C ATOM 0 H ILE B 60 17.947 -10.936 15.220 1.00 0.00 H new ATOM 0 HA ILE B 60 19.925 -13.016 15.925 1.00 0.00 H new ATOM 0 HB ILE B 60 19.572 -10.010 16.452 1.00 0.00 H new ATOM 0 HG12 ILE B 60 19.710 -10.565 14.041 1.00 0.00 H new ATOM 0 HG13 ILE B 60 21.169 -9.746 14.564 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.008 -10.033 16.914 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.133 -11.089 18.048 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.035 -11.798 16.687 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.725 -11.724 13.173 1.00 0.00 H new ATOM 0 HD12 ILE B 60 22.321 -11.944 14.835 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.840 -12.775 14.304 1.00 0.00 H new ATOM 1762 N ALA B 61 17.984 -11.715 18.213 1.00 0.00 N ATOM 1763 CA ALA B 61 17.568 -11.916 19.631 1.00 0.00 C ATOM 1764 C ALA B 61 17.105 -13.359 19.847 1.00 0.00 C ATOM 1765 O ALA B 61 17.122 -13.868 20.950 1.00 0.00 O ATOM 1766 CB ALA B 61 16.409 -10.943 19.845 1.00 0.00 C ATOM 0 H ALA B 61 17.436 -11.030 17.692 1.00 0.00 H new ATOM 0 HA ALA B 61 18.385 -11.737 20.330 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.045 -11.030 20.869 1.00 0.00 H new ATOM 0 HB2 ALA B 61 16.752 -9.924 19.667 1.00 0.00 H new ATOM 0 HB3 ALA B 61 15.602 -11.180 19.152 1.00 0.00 H new ATOM 1772 N ALA B 62 16.693 -14.022 18.800 1.00 0.00 N ATOM 1773 CA ALA B 62 16.231 -15.432 18.947 1.00 0.00 C ATOM 1774 C ALA B 62 17.312 -16.397 18.450 1.00 0.00 C ATOM 1775 O ALA B 62 17.880 -17.153 19.212 1.00 0.00 O ATOM 1776 CB ALA B 62 14.981 -15.531 18.072 1.00 0.00 C ATOM 0 H ALA B 62 16.656 -13.649 17.851 1.00 0.00 H new ATOM 0 HA ALA B 62 16.025 -15.694 19.985 1.00 0.00 H new ATOM 0 HB1 ALA B 62 14.578 -16.543 18.126 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.232 -14.823 18.426 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.240 -15.298 17.039 1.00 0.00 H new ATOM 1782 N SER B 63 17.599 -16.375 17.177 1.00 0.00 N ATOM 1783 CA SER B 63 18.643 -17.291 16.634 1.00 0.00 C ATOM 1784 C SER B 63 19.782 -16.482 16.006 1.00 0.00 C ATOM 1785 O SER B 63 20.806 -16.340 16.653 1.00 0.00 O ATOM 1786 CB SER B 63 17.926 -18.121 15.569 1.00 0.00 C ATOM 1787 OG SER B 63 17.217 -19.180 16.200 1.00 0.00 O ATOM 1788 OXT SER B 63 19.610 -16.020 14.890 1.00 0.00 O ATOM 0 H SER B 63 17.157 -15.764 16.490 1.00 0.00 H new ATOM 0 HA SER B 63 19.087 -17.916 17.409 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.238 -17.493 15.004 1.00 0.00 H new ATOM 0 HB3 SER B 63 18.647 -18.523 14.858 1.00 0.00 H new ATOM 0 HG SER B 63 16.754 -19.714 15.521 1.00 0.00 H new