USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=6 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 K(o=0,f=-0.81) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -155:sc= -9.93! (180deg=-11!) USER MOD Single : A 34 MET CE :methyl -129:sc= -2.12! (180deg=-2.73!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -5.56! C(o=-5.6!,f=-7.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 47 GLN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.2) USER MOD Single : A 53 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.3) USER MOD Single : A 54 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.0118 K(o=-0.012,f=-0.83) USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.00539) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 MET CE :methyl -148:sc= -8.93! (180deg=-9.83!) USER MOD Single : B 34 MET CE :methyl -138:sc= -0.773 (180deg=-0.929) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-7.6!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : B 47 GLN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : B 51 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.21) USER MOD Single : B 53 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.29) USER MOD Single : B 54 GLN : amide:sc= -0.295 X(o=-0.3,f=0) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.837 16.232 -14.617 1.00 0.00 N ATOM 163 CA PRO A 19 -15.315 17.482 -15.208 1.00 0.00 C ATOM 164 C PRO A 19 -13.915 17.282 -15.804 1.00 0.00 C ATOM 165 O PRO A 19 -13.221 18.234 -16.094 1.00 0.00 O ATOM 166 CB PRO A 19 -15.263 18.435 -14.020 1.00 0.00 C ATOM 167 CG PRO A 19 -15.143 17.563 -12.802 1.00 0.00 C ATOM 168 CD PRO A 19 -15.578 16.164 -13.175 1.00 0.00 C ATOM 0 HA PRO A 19 -15.931 17.846 -16.030 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.414 19.114 -14.100 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.161 19.051 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.115 17.557 -12.439 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.764 17.951 -11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.803 15.433 -12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.471 15.866 -12.625 1.00 0.00 H new ATOM 176 N LYS A 20 -13.500 16.054 -15.994 1.00 0.00 N ATOM 177 CA LYS A 20 -12.145 15.779 -16.581 1.00 0.00 C ATOM 178 C LYS A 20 -11.033 16.232 -15.627 1.00 0.00 C ATOM 179 O LYS A 20 -10.251 15.432 -15.155 1.00 0.00 O ATOM 180 CB LYS A 20 -12.084 16.569 -17.894 1.00 0.00 C ATOM 181 CG LYS A 20 -10.965 16.009 -18.774 1.00 0.00 C ATOM 182 CD LYS A 20 -9.611 16.451 -18.217 1.00 0.00 C ATOM 183 CE LYS A 20 -8.683 16.832 -19.373 1.00 0.00 C ATOM 184 NZ LYS A 20 -8.149 15.537 -19.879 1.00 0.00 N ATOM 0 H LYS A 20 -14.044 15.222 -15.767 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.998 14.712 -16.749 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.039 16.503 -18.415 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.906 17.624 -17.688 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.021 14.921 -18.804 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.082 16.362 -19.799 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.741 17.300 -17.546 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.167 15.647 -17.630 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.223 17.368 -20.153 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.879 17.486 -19.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.503 15.715 -20.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.634 15.052 -19.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.937 14.938 -20.200 1.00 0.00 H new ATOM 198 N ALA A 21 -10.952 17.508 -15.342 1.00 0.00 N ATOM 199 CA ALA A 21 -9.885 18.011 -14.420 1.00 0.00 C ATOM 200 C ALA A 21 -9.811 17.137 -13.163 1.00 0.00 C ATOM 201 O ALA A 21 -8.748 16.724 -12.743 1.00 0.00 O ATOM 202 CB ALA A 21 -10.315 19.433 -14.059 1.00 0.00 C ATOM 0 H ALA A 21 -11.579 18.224 -15.708 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.897 17.986 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.583 19.874 -13.383 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.380 20.035 -14.966 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.289 19.406 -13.571 1.00 0.00 H new ATOM 208 N LEU A 22 -10.934 16.846 -12.569 1.00 0.00 N ATOM 209 CA LEU A 22 -10.932 15.989 -11.351 1.00 0.00 C ATOM 210 C LEU A 22 -10.739 14.525 -11.760 1.00 0.00 C ATOM 211 O LEU A 22 -9.786 13.879 -11.371 1.00 0.00 O ATOM 212 CB LEU A 22 -12.313 16.219 -10.708 1.00 0.00 C ATOM 213 CG LEU A 22 -12.656 15.097 -9.713 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.469 14.837 -8.781 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.869 15.516 -8.879 1.00 0.00 C ATOM 0 H LEU A 22 -11.854 17.165 -12.874 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.128 16.229 -10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.322 17.180 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.076 16.266 -11.485 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.881 14.186 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.723 14.041 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.602 14.539 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.235 15.746 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.116 14.724 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.637 16.430 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.720 15.693 -9.537 1.00 0.00 H new ATOM 227 N GLN A 23 -11.639 14.004 -12.548 1.00 0.00 N ATOM 228 CA GLN A 23 -11.527 12.584 -13.000 1.00 0.00 C ATOM 229 C GLN A 23 -10.103 12.286 -13.488 1.00 0.00 C ATOM 230 O GLN A 23 -9.598 11.193 -13.324 1.00 0.00 O ATOM 231 CB GLN A 23 -12.530 12.463 -14.151 1.00 0.00 C ATOM 232 CG GLN A 23 -12.399 11.087 -14.809 1.00 0.00 C ATOM 233 CD GLN A 23 -13.278 11.034 -16.060 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.330 11.980 -16.820 1.00 0.00 O ATOM 235 NE2 GLN A 23 -13.976 9.959 -16.309 1.00 0.00 N ATOM 0 H GLN A 23 -12.455 14.504 -12.902 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.734 11.876 -12.198 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.545 12.603 -13.778 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.350 13.247 -14.887 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.359 10.896 -15.074 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.698 10.307 -14.108 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.933 9.164 -15.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -14.564 9.914 -17.141 1.00 0.00 H new ATOM 244 N GLN A 24 -9.454 13.248 -14.082 1.00 0.00 N ATOM 245 CA GLN A 24 -8.066 13.016 -14.574 1.00 0.00 C ATOM 246 C GLN A 24 -7.095 12.958 -13.392 1.00 0.00 C ATOM 247 O GLN A 24 -6.144 12.201 -13.393 1.00 0.00 O ATOM 248 CB GLN A 24 -7.753 14.217 -15.467 1.00 0.00 C ATOM 249 CG GLN A 24 -6.428 13.982 -16.194 1.00 0.00 C ATOM 250 CD GLN A 24 -5.354 14.902 -15.611 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.412 16.104 -15.777 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.368 14.386 -14.930 1.00 0.00 N ATOM 0 H GLN A 24 -9.823 14.184 -14.248 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.970 12.074 -15.114 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.555 14.365 -16.190 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.694 15.125 -14.866 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.124 12.940 -16.091 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.547 14.175 -17.260 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.318 13.377 -14.790 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.647 14.992 -14.538 1.00 0.00 H new ATOM 261 N LYS A 25 -7.327 13.751 -12.382 1.00 0.00 N ATOM 262 CA LYS A 25 -6.420 13.740 -11.199 1.00 0.00 C ATOM 263 C LYS A 25 -6.606 12.444 -10.405 1.00 0.00 C ATOM 264 O LYS A 25 -5.652 11.792 -10.030 1.00 0.00 O ATOM 265 CB LYS A 25 -6.845 14.946 -10.361 1.00 0.00 C ATOM 266 CG LYS A 25 -5.826 16.075 -10.537 1.00 0.00 C ATOM 267 CD LYS A 25 -6.524 17.305 -11.118 1.00 0.00 C ATOM 268 CE LYS A 25 -5.867 18.574 -10.568 1.00 0.00 C ATOM 269 NZ LYS A 25 -6.521 18.804 -9.249 1.00 0.00 N ATOM 0 H LYS A 25 -8.106 14.407 -12.325 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.369 13.792 -11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.835 15.284 -10.667 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.915 14.665 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.371 16.321 -9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.022 15.754 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.460 17.292 -12.206 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.583 17.290 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.790 18.445 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.020 19.420 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.123 19.658 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.544 18.930 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.352 17.985 -8.630 1.00 0.00 H new ATOM 283 N ILE A 26 -7.828 12.066 -10.149 1.00 0.00 N ATOM 284 CA ILE A 26 -8.075 10.811 -9.382 1.00 0.00 C ATOM 285 C ILE A 26 -7.401 9.626 -10.079 1.00 0.00 C ATOM 286 O ILE A 26 -6.611 8.914 -9.489 1.00 0.00 O ATOM 287 CB ILE A 26 -9.594 10.638 -9.381 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.240 11.810 -8.640 1.00 0.00 C ATOM 289 CG2 ILE A 26 -9.959 9.330 -8.676 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.705 11.937 -9.063 1.00 0.00 C ATOM 0 H ILE A 26 -8.666 12.571 -10.437 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.670 10.859 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.956 10.611 -10.409 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.174 11.654 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.705 12.733 -8.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.042 9.207 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.499 8.493 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.596 9.357 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.165 12.772 -8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.760 12.113 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.235 11.017 -8.819 1.00 0.00 H new ATOM 302 N HIS A 27 -7.706 9.409 -11.329 1.00 0.00 N ATOM 303 CA HIS A 27 -7.082 8.270 -12.062 1.00 0.00 C ATOM 304 C HIS A 27 -5.556 8.372 -11.997 1.00 0.00 C ATOM 305 O HIS A 27 -4.856 7.380 -12.038 1.00 0.00 O ATOM 306 CB HIS A 27 -7.568 8.415 -13.504 1.00 0.00 C ATOM 307 CG HIS A 27 -7.766 7.050 -14.105 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.717 6.316 -14.634 1.00 0.00 N ATOM 309 CD2 HIS A 27 -8.887 6.274 -14.268 1.00 0.00 C ATOM 310 CE1 HIS A 27 -7.223 5.154 -15.086 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.541 5.077 -14.888 1.00 0.00 N ATOM 0 H HIS A 27 -8.360 9.970 -11.875 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.354 7.305 -11.635 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.503 8.975 -13.530 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.842 8.980 -14.089 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.885 6.550 -13.962 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.634 4.378 -15.552 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.161 4.307 -15.137 1.00 0.00 H new ATOM 319 N GLU A 28 -5.036 9.565 -11.894 1.00 0.00 N ATOM 320 CA GLU A 28 -3.556 9.730 -11.827 1.00 0.00 C ATOM 321 C GLU A 28 -3.048 9.380 -10.425 1.00 0.00 C ATOM 322 O GLU A 28 -2.025 8.745 -10.266 1.00 0.00 O ATOM 323 CB GLU A 28 -3.307 11.208 -12.135 1.00 0.00 C ATOM 324 CG GLU A 28 -2.109 11.339 -13.076 1.00 0.00 C ATOM 325 CD GLU A 28 -2.399 10.593 -14.380 1.00 0.00 C ATOM 326 OE1 GLU A 28 -3.487 10.760 -14.905 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.528 9.869 -14.831 1.00 0.00 O ATOM 0 H GLU A 28 -5.572 10.432 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.035 9.075 -12.526 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.192 11.649 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.119 11.756 -11.212 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.909 12.390 -13.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.215 10.932 -12.603 1.00 0.00 H new ATOM 334 N LEU A 29 -3.757 9.789 -9.408 1.00 0.00 N ATOM 335 CA LEU A 29 -3.314 9.477 -8.019 1.00 0.00 C ATOM 336 C LEU A 29 -3.643 8.022 -7.673 1.00 0.00 C ATOM 337 O LEU A 29 -2.850 7.321 -7.076 1.00 0.00 O ATOM 338 CB LEU A 29 -4.107 10.433 -7.126 1.00 0.00 C ATOM 339 CG LEU A 29 -3.634 11.867 -7.364 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.600 12.841 -6.688 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.234 12.047 -6.773 1.00 0.00 C ATOM 0 H LEU A 29 -4.622 10.325 -9.479 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.238 9.598 -7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.172 10.350 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.973 10.164 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.605 12.067 -8.435 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.263 13.864 -6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.598 12.713 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.628 12.641 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.896 13.069 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.263 11.847 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.544 11.353 -7.253 1.00 0.00 H new ATOM 353 N GLU A 30 -4.806 7.562 -8.045 1.00 0.00 N ATOM 354 CA GLU A 30 -5.184 6.152 -7.738 1.00 0.00 C ATOM 355 C GLU A 30 -4.216 5.186 -8.424 1.00 0.00 C ATOM 356 O GLU A 30 -3.859 4.159 -7.880 1.00 0.00 O ATOM 357 CB GLU A 30 -6.596 5.988 -8.302 1.00 0.00 C ATOM 358 CG GLU A 30 -7.138 4.607 -7.926 1.00 0.00 C ATOM 359 CD GLU A 30 -7.481 3.829 -9.197 1.00 0.00 C ATOM 360 OE1 GLU A 30 -6.760 3.975 -10.171 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.458 3.099 -9.176 1.00 0.00 O ATOM 0 H GLU A 30 -5.511 8.101 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.145 5.936 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.249 6.767 -7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.582 6.102 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.397 4.061 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.024 4.711 -7.300 1.00 0.00 H new ATOM 368 N GLY A 31 -3.790 5.504 -9.616 1.00 0.00 N ATOM 369 CA GLY A 31 -2.845 4.604 -10.335 1.00 0.00 C ATOM 370 C GLY A 31 -1.473 4.657 -9.662 1.00 0.00 C ATOM 371 O GLY A 31 -0.692 3.731 -9.748 1.00 0.00 O ATOM 0 H GLY A 31 -4.056 6.348 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.225 3.582 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.761 4.907 -11.379 1.00 0.00 H new ATOM 375 N LEU A 32 -1.174 5.735 -8.989 1.00 0.00 N ATOM 376 CA LEU A 32 0.150 5.846 -8.309 1.00 0.00 C ATOM 377 C LEU A 32 0.199 4.912 -7.097 1.00 0.00 C ATOM 378 O LEU A 32 1.197 4.271 -6.835 1.00 0.00 O ATOM 379 CB LEU A 32 0.248 7.307 -7.869 1.00 0.00 C ATOM 380 CG LEU A 32 1.701 7.774 -7.969 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.169 7.677 -9.422 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.802 9.227 -7.498 1.00 0.00 C ATOM 0 H LEU A 32 -1.787 6.543 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 32 0.976 5.563 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.389 7.930 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.110 7.414 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 32 2.330 7.143 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.204 8.010 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.096 6.643 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.541 8.309 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.837 9.561 -7.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.173 9.858 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.468 9.298 -6.463 1.00 0.00 H new ATOM 394 N MET A 33 -0.871 4.830 -6.355 1.00 0.00 N ATOM 395 CA MET A 33 -0.884 3.936 -5.161 1.00 0.00 C ATOM 396 C MET A 33 -0.482 2.512 -5.559 1.00 0.00 C ATOM 397 O MET A 33 0.367 1.901 -4.943 1.00 0.00 O ATOM 398 CB MET A 33 -2.331 3.962 -4.663 1.00 0.00 C ATOM 399 CG MET A 33 -2.479 5.022 -3.569 1.00 0.00 C ATOM 400 SD MET A 33 -4.188 5.619 -3.536 1.00 0.00 S ATOM 401 CE MET A 33 -4.980 4.032 -3.170 1.00 0.00 C ATOM 0 H MET A 33 -1.737 5.343 -6.523 1.00 0.00 H new ATOM 0 HA MET A 33 -0.181 4.262 -4.395 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.007 4.181 -5.490 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.610 2.983 -4.274 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.211 4.600 -2.600 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.796 5.851 -3.756 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.009 4.048 -3.529 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.434 3.230 -3.667 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.974 3.862 -2.093 1.00 0.00 H new ATOM 411 N MET A 34 -1.091 1.980 -6.583 1.00 0.00 N ATOM 412 CA MET A 34 -0.751 0.594 -7.021 1.00 0.00 C ATOM 413 C MET A 34 0.761 0.449 -7.213 1.00 0.00 C ATOM 414 O MET A 34 1.357 -0.526 -6.802 1.00 0.00 O ATOM 415 CB MET A 34 -1.480 0.411 -8.352 1.00 0.00 C ATOM 416 CG MET A 34 -2.985 0.588 -8.141 1.00 0.00 C ATOM 417 SD MET A 34 -3.883 -0.589 -9.182 1.00 0.00 S ATOM 418 CE MET A 34 -4.243 -1.805 -7.890 1.00 0.00 C ATOM 0 H MET A 34 -1.810 2.445 -7.137 1.00 0.00 H new ATOM 0 HA MET A 34 -1.047 -0.154 -6.285 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.117 1.136 -9.080 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.273 -0.579 -8.758 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.237 0.429 -7.093 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.280 1.608 -8.388 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.938 -2.796 -8.227 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.696 -1.546 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.313 -1.807 -7.680 1.00 0.00 H new ATOM 428 N GLN A 35 1.387 1.409 -7.840 1.00 0.00 N ATOM 429 CA GLN A 35 2.861 1.320 -8.061 1.00 0.00 C ATOM 430 C GLN A 35 3.584 1.009 -6.744 1.00 0.00 C ATOM 431 O GLN A 35 3.985 -0.111 -6.496 1.00 0.00 O ATOM 432 CB GLN A 35 3.263 2.699 -8.590 1.00 0.00 C ATOM 433 CG GLN A 35 4.787 2.777 -8.724 1.00 0.00 C ATOM 434 CD GLN A 35 5.164 2.896 -10.201 1.00 0.00 C ATOM 435 OE1 GLN A 35 5.592 1.934 -10.811 1.00 0.00 O ATOM 436 NE2 GLN A 35 5.023 4.042 -10.809 1.00 0.00 N ATOM 0 H GLN A 35 0.943 2.250 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 35 3.127 0.523 -8.756 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.794 2.879 -9.557 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.908 3.476 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.168 3.635 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.247 1.889 -8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.664 4.849 -10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.271 4.131 -11.794 1.00 0.00 H new ATOM 445 N HIS A 36 3.755 1.991 -5.902 1.00 0.00 N ATOM 446 CA HIS A 36 4.454 1.750 -4.608 1.00 0.00 C ATOM 447 C HIS A 36 3.788 0.600 -3.848 1.00 0.00 C ATOM 448 O HIS A 36 4.441 -0.327 -3.412 1.00 0.00 O ATOM 449 CB HIS A 36 4.307 3.060 -3.835 1.00 0.00 C ATOM 450 CG HIS A 36 5.496 3.939 -4.107 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.816 5.020 -3.301 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.453 3.909 -5.091 1.00 0.00 C ATOM 453 CE1 HIS A 36 6.923 5.592 -3.809 1.00 0.00 C ATOM 454 NE2 HIS A 36 7.352 4.954 -4.901 1.00 0.00 N ATOM 0 H HIS A 36 3.441 2.950 -6.054 1.00 0.00 H new ATOM 0 HA HIS A 36 5.498 1.470 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.390 3.569 -4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.228 2.857 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.501 3.185 -5.891 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.405 6.461 -3.386 1.00 0.00 H new ATOM 0 HE2 HIS A 36 8.165 5.184 -5.473 1.00 0.00 H new ATOM 462 N ALA A 37 2.491 0.654 -3.691 1.00 0.00 N ATOM 463 CA ALA A 37 1.767 -0.434 -2.964 1.00 0.00 C ATOM 464 C ALA A 37 2.225 -1.806 -3.472 1.00 0.00 C ATOM 465 O ALA A 37 2.299 -2.763 -2.727 1.00 0.00 O ATOM 466 CB ALA A 37 0.291 -0.202 -3.290 1.00 0.00 C ATOM 0 H ALA A 37 1.898 1.409 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 37 1.957 -0.418 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.315 -0.960 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.008 0.786 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.142 -0.267 -4.368 1.00 0.00 H new ATOM 472 N GLN A 38 2.547 -1.901 -4.734 1.00 0.00 N ATOM 473 CA GLN A 38 3.016 -3.204 -5.287 1.00 0.00 C ATOM 474 C GLN A 38 4.485 -3.416 -4.915 1.00 0.00 C ATOM 475 O GLN A 38 4.923 -4.523 -4.671 1.00 0.00 O ATOM 476 CB GLN A 38 2.857 -3.078 -6.801 1.00 0.00 C ATOM 477 CG GLN A 38 1.503 -3.652 -7.222 1.00 0.00 C ATOM 478 CD GLN A 38 1.688 -4.560 -8.439 1.00 0.00 C ATOM 479 OE1 GLN A 38 2.056 -4.104 -9.503 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.447 -5.838 -8.325 1.00 0.00 N ATOM 0 H GLN A 38 2.506 -1.134 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 38 2.454 -4.052 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.929 -2.032 -7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.663 -3.610 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.063 -4.215 -6.399 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.812 -2.844 -7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.138 -6.221 -7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.568 -6.453 -9.129 1.00 0.00 H new ATOM 489 N ASN A 39 5.244 -2.355 -4.858 1.00 0.00 N ATOM 490 CA ASN A 39 6.683 -2.482 -4.489 1.00 0.00 C ATOM 491 C ASN A 39 6.854 -2.249 -2.984 1.00 0.00 C ATOM 492 O ASN A 39 7.915 -1.887 -2.517 1.00 0.00 O ATOM 493 CB ASN A 39 7.397 -1.391 -5.287 1.00 0.00 C ATOM 494 CG ASN A 39 7.720 -1.910 -6.689 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.920 -3.093 -6.880 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.780 -1.070 -7.685 1.00 0.00 N ATOM 0 H ASN A 39 4.929 -1.404 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 39 7.085 -3.471 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.768 -0.503 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.314 -1.095 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.995 -1.406 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.612 -0.077 -7.525 1.00 0.00 H new ATOM 503 N LEU A 40 5.810 -2.456 -2.227 1.00 0.00 N ATOM 504 CA LEU A 40 5.890 -2.253 -0.753 1.00 0.00 C ATOM 505 C LEU A 40 6.369 -0.835 -0.426 1.00 0.00 C ATOM 506 O LEU A 40 6.958 -0.594 0.608 1.00 0.00 O ATOM 507 CB LEU A 40 6.898 -3.292 -0.256 1.00 0.00 C ATOM 508 CG LEU A 40 6.413 -4.693 -0.634 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.861 -5.022 -2.060 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.011 -5.716 0.335 1.00 0.00 C ATOM 0 H LEU A 40 4.899 -2.759 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 40 4.917 -2.370 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.878 -3.104 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.013 -3.215 0.825 1.00 0.00 H new ATOM 0 HG LEU A 40 5.325 -4.728 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.515 -6.020 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.438 -4.293 -2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.949 -4.987 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.667 -6.715 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.099 -5.679 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.694 -5.483 1.351 1.00 0.00 H new ATOM 522 N GLU A 41 6.109 0.103 -1.291 1.00 0.00 N ATOM 523 CA GLU A 41 6.536 1.506 -1.016 1.00 0.00 C ATOM 524 C GLU A 41 5.317 2.359 -0.645 1.00 0.00 C ATOM 525 O GLU A 41 5.357 3.571 -0.699 1.00 0.00 O ATOM 526 CB GLU A 41 7.160 1.997 -2.321 1.00 0.00 C ATOM 527 CG GLU A 41 8.508 1.305 -2.536 1.00 0.00 C ATOM 528 CD GLU A 41 9.612 2.111 -1.849 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.427 3.305 -1.678 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.623 1.521 -1.506 1.00 0.00 O ATOM 0 H GLU A 41 5.621 -0.038 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 41 7.238 1.571 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.493 1.785 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.296 3.078 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.477 0.293 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.717 1.217 -3.602 1.00 0.00 H new ATOM 537 N PHE A 42 4.233 1.728 -0.271 1.00 0.00 N ATOM 538 CA PHE A 42 3.001 2.479 0.099 1.00 0.00 C ATOM 539 C PHE A 42 3.236 3.415 1.288 1.00 0.00 C ATOM 540 O PHE A 42 2.384 4.215 1.611 1.00 0.00 O ATOM 541 CB PHE A 42 1.961 1.412 0.461 1.00 0.00 C ATOM 542 CG PHE A 42 2.523 0.448 1.484 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.821 0.892 2.794 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.735 -0.905 1.135 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.334 -0.015 3.747 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.243 -1.810 2.089 1.00 0.00 C ATOM 547 CZ PHE A 42 3.544 -1.364 3.396 1.00 0.00 C ATOM 0 H PHE A 42 4.151 0.713 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 42 2.675 3.114 -0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.065 1.889 0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.663 0.868 -0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.656 1.924 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.507 -1.246 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.566 0.325 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.402 -2.844 1.821 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.935 -2.057 4.126 1.00 0.00 H new ATOM 557 N GLU A 43 4.365 3.344 1.950 1.00 0.00 N ATOM 558 CA GLU A 43 4.597 4.265 3.106 1.00 0.00 C ATOM 559 C GLU A 43 4.282 5.702 2.680 1.00 0.00 C ATOM 560 O GLU A 43 3.322 6.299 3.123 1.00 0.00 O ATOM 561 CB GLU A 43 6.081 4.116 3.445 1.00 0.00 C ATOM 562 CG GLU A 43 6.447 5.087 4.569 1.00 0.00 C ATOM 563 CD GLU A 43 7.962 5.296 4.590 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.427 6.189 3.902 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.633 4.559 5.296 1.00 0.00 O ATOM 0 H GLU A 43 5.127 2.697 1.744 1.00 0.00 H new ATOM 0 HA GLU A 43 3.966 4.032 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.294 3.092 3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.689 4.318 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.940 6.040 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.110 4.693 5.528 1.00 0.00 H new ATOM 572 N GLU A 44 5.069 6.240 1.795 1.00 0.00 N ATOM 573 CA GLU A 44 4.803 7.621 1.301 1.00 0.00 C ATOM 574 C GLU A 44 3.731 7.581 0.201 1.00 0.00 C ATOM 575 O GLU A 44 3.115 8.578 -0.116 1.00 0.00 O ATOM 576 CB GLU A 44 6.139 8.107 0.735 1.00 0.00 C ATOM 577 CG GLU A 44 6.604 7.157 -0.372 1.00 0.00 C ATOM 578 CD GLU A 44 7.473 7.925 -1.370 1.00 0.00 C ATOM 579 OE1 GLU A 44 7.087 9.021 -1.741 1.00 0.00 O ATOM 580 OE2 GLU A 44 8.509 7.402 -1.746 1.00 0.00 O ATOM 0 H GLU A 44 5.887 5.784 1.390 1.00 0.00 H new ATOM 0 HA GLU A 44 4.435 8.282 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.032 9.117 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.886 8.152 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.169 6.330 0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.742 6.725 -0.881 1.00 0.00 H new ATOM 587 N ALA A 45 3.524 6.432 -0.394 1.00 0.00 N ATOM 588 CA ALA A 45 2.516 6.313 -1.488 1.00 0.00 C ATOM 589 C ALA A 45 1.090 6.256 -0.934 1.00 0.00 C ATOM 590 O ALA A 45 0.210 6.959 -1.392 1.00 0.00 O ATOM 591 CB ALA A 45 2.865 4.998 -2.190 1.00 0.00 C ATOM 0 H ALA A 45 4.014 5.567 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 45 2.546 7.172 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.170 4.829 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.882 5.052 -2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.792 4.175 -1.479 1.00 0.00 H new ATOM 597 N ALA A 46 0.848 5.421 0.035 1.00 0.00 N ATOM 598 CA ALA A 46 -0.528 5.316 0.599 1.00 0.00 C ATOM 599 C ALA A 46 -1.057 6.698 0.981 1.00 0.00 C ATOM 600 O ALA A 46 -2.248 6.917 1.046 1.00 0.00 O ATOM 601 CB ALA A 46 -0.395 4.426 1.835 1.00 0.00 C ATOM 0 H ALA A 46 1.541 4.806 0.462 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.232 4.900 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.372 4.305 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.010 3.450 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.292 4.888 2.544 1.00 0.00 H new ATOM 607 N GLN A 47 -0.186 7.641 1.225 1.00 0.00 N ATOM 608 CA GLN A 47 -0.660 9.007 1.590 1.00 0.00 C ATOM 609 C GLN A 47 -1.662 9.505 0.546 1.00 0.00 C ATOM 610 O GLN A 47 -2.605 10.203 0.860 1.00 0.00 O ATOM 611 CB GLN A 47 0.590 9.882 1.592 1.00 0.00 C ATOM 612 CG GLN A 47 1.627 9.293 2.550 1.00 0.00 C ATOM 613 CD GLN A 47 2.523 10.413 3.083 1.00 0.00 C ATOM 614 OE1 GLN A 47 2.249 10.983 4.120 1.00 0.00 O ATOM 615 NE2 GLN A 47 3.589 10.754 2.412 1.00 0.00 N ATOM 0 H GLN A 47 0.827 7.525 1.188 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.164 9.025 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.004 9.945 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.335 10.897 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.128 8.787 3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.229 8.544 2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.818 10.275 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.193 11.500 2.758 1.00 0.00 H new ATOM 624 N ILE A 48 -1.471 9.137 -0.694 1.00 0.00 N ATOM 625 CA ILE A 48 -2.424 9.577 -1.755 1.00 0.00 C ATOM 626 C ILE A 48 -3.846 9.209 -1.337 1.00 0.00 C ATOM 627 O ILE A 48 -4.805 9.852 -1.715 1.00 0.00 O ATOM 628 CB ILE A 48 -2.009 8.805 -3.008 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.612 9.253 -3.444 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.007 9.082 -4.133 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.012 8.207 -4.385 1.00 0.00 C ATOM 0 H ILE A 48 -0.699 8.553 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.402 10.653 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.997 7.737 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.668 10.219 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.029 9.383 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.711 8.532 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.002 8.763 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.020 10.150 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.983 8.525 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.058 7.250 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.649 8.099 -5.263 1.00 0.00 H new ATOM 643 N ARG A 49 -3.982 8.181 -0.542 1.00 0.00 N ATOM 644 CA ARG A 49 -5.338 7.769 -0.072 1.00 0.00 C ATOM 645 C ARG A 49 -6.073 8.987 0.505 1.00 0.00 C ATOM 646 O ARG A 49 -7.274 9.120 0.376 1.00 0.00 O ATOM 647 CB ARG A 49 -5.067 6.715 1.010 1.00 0.00 C ATOM 648 CG ARG A 49 -6.343 6.423 1.809 1.00 0.00 C ATOM 649 CD ARG A 49 -6.089 6.701 3.294 1.00 0.00 C ATOM 650 NE ARG A 49 -5.656 8.128 3.358 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.427 9.016 3.924 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.721 8.950 3.770 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.904 9.968 4.645 1.00 0.00 N ATOM 0 H ARG A 49 -3.212 7.608 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.968 7.372 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.702 5.797 0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.284 7.068 1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.162 7.044 1.446 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.644 5.385 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.990 6.536 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.321 6.038 3.693 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.760 8.409 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.130 8.204 3.207 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.323 9.644 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.893 10.019 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.506 10.662 5.087 1.00 0.00 H new ATOM 667 N ASP A 50 -5.354 9.877 1.132 1.00 0.00 N ATOM 668 CA ASP A 50 -6.005 11.087 1.708 1.00 0.00 C ATOM 669 C ASP A 50 -6.464 12.013 0.581 1.00 0.00 C ATOM 670 O ASP A 50 -7.475 12.679 0.682 1.00 0.00 O ATOM 671 CB ASP A 50 -4.919 11.760 2.550 1.00 0.00 C ATOM 672 CG ASP A 50 -5.571 12.552 3.684 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.526 13.262 3.412 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.104 12.437 4.805 1.00 0.00 O ATOM 0 H ASP A 50 -4.345 9.819 1.270 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.885 10.845 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.243 11.009 2.959 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.319 12.423 1.927 1.00 0.00 H new ATOM 679 N GLN A 51 -5.729 12.055 -0.498 1.00 0.00 N ATOM 680 CA GLN A 51 -6.126 12.933 -1.635 1.00 0.00 C ATOM 681 C GLN A 51 -7.239 12.265 -2.447 1.00 0.00 C ATOM 682 O GLN A 51 -8.177 12.905 -2.880 1.00 0.00 O ATOM 683 CB GLN A 51 -4.860 13.084 -2.482 1.00 0.00 C ATOM 684 CG GLN A 51 -3.719 13.610 -1.609 1.00 0.00 C ATOM 685 CD GLN A 51 -2.404 13.536 -2.387 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.418 13.030 -1.889 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.347 14.023 -3.597 1.00 0.00 N ATOM 0 H GLN A 51 -4.872 11.520 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.508 13.898 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.585 12.123 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.044 13.769 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.920 14.639 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.646 13.022 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.175 14.448 -4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.475 13.979 -4.124 1.00 0.00 H new ATOM 696 N LEU A 52 -7.143 10.980 -2.653 1.00 0.00 N ATOM 697 CA LEU A 52 -8.195 10.265 -3.432 1.00 0.00 C ATOM 698 C LEU A 52 -9.550 10.389 -2.729 1.00 0.00 C ATOM 699 O LEU A 52 -10.568 10.607 -3.354 1.00 0.00 O ATOM 700 CB LEU A 52 -7.739 8.807 -3.467 1.00 0.00 C ATOM 701 CG LEU A 52 -7.310 8.436 -4.887 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.494 8.607 -5.840 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.165 9.351 -5.328 1.00 0.00 C ATOM 0 H LEU A 52 -6.380 10.393 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.319 10.677 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.910 8.658 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.548 8.155 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.976 7.399 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.188 8.342 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.310 7.957 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.829 9.644 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.858 9.088 -6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.500 10.388 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.320 9.230 -4.650 1.00 0.00 H new ATOM 715 N HIS A 53 -9.570 10.247 -1.432 1.00 0.00 N ATOM 716 CA HIS A 53 -10.858 10.354 -0.688 1.00 0.00 C ATOM 717 C HIS A 53 -11.419 11.774 -0.799 1.00 0.00 C ATOM 718 O HIS A 53 -12.605 11.971 -0.972 1.00 0.00 O ATOM 719 CB HIS A 53 -10.504 10.029 0.764 1.00 0.00 C ATOM 720 CG HIS A 53 -11.681 9.373 1.434 1.00 0.00 C ATOM 721 ND1 HIS A 53 -12.319 8.268 0.890 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.345 9.654 2.601 1.00 0.00 C ATOM 723 CE1 HIS A 53 -13.319 7.928 1.723 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.379 8.740 2.783 1.00 0.00 N ATOM 0 H HIS A 53 -8.750 10.061 -0.855 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.620 9.682 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.638 9.368 0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.231 10.941 1.296 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.102 10.462 3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.992 7.100 1.556 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.040 8.699 3.559 1.00 0.00 H new ATOM 732 N GLN A 54 -10.576 12.765 -0.699 1.00 0.00 N ATOM 733 CA GLN A 54 -11.062 14.170 -0.797 1.00 0.00 C ATOM 734 C GLN A 54 -11.413 14.511 -2.248 1.00 0.00 C ATOM 735 O GLN A 54 -12.417 15.138 -2.524 1.00 0.00 O ATOM 736 CB GLN A 54 -9.894 15.029 -0.311 1.00 0.00 C ATOM 737 CG GLN A 54 -10.415 16.112 0.636 1.00 0.00 C ATOM 738 CD GLN A 54 -9.244 16.718 1.411 1.00 0.00 C ATOM 739 OE1 GLN A 54 -9.386 17.082 2.563 1.00 0.00 O ATOM 740 NE2 GLN A 54 -8.085 16.846 0.825 1.00 0.00 N ATOM 0 H GLN A 54 -9.572 12.662 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.963 14.336 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.159 14.407 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.388 15.487 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.931 16.888 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.142 15.686 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.965 16.541 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.299 17.251 1.333 1.00 0.00 H new ATOM 749 N LEU A 55 -10.593 14.105 -3.178 1.00 0.00 N ATOM 750 CA LEU A 55 -10.882 14.407 -4.610 1.00 0.00 C ATOM 751 C LEU A 55 -12.129 13.648 -5.071 1.00 0.00 C ATOM 752 O LEU A 55 -12.783 14.029 -6.021 1.00 0.00 O ATOM 753 CB LEU A 55 -9.648 13.926 -5.374 1.00 0.00 C ATOM 754 CG LEU A 55 -8.674 15.092 -5.559 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.458 14.890 -4.653 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.218 15.148 -7.017 1.00 0.00 C ATOM 0 H LEU A 55 -9.736 13.578 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.077 15.466 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.163 13.116 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.941 13.526 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.172 16.026 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.764 15.720 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.782 14.849 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.960 13.956 -4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.524 15.978 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.721 14.214 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.084 15.292 -7.664 1.00 0.00 H new ATOM 768 N ARG A 56 -12.463 12.576 -4.404 1.00 0.00 N ATOM 769 CA ARG A 56 -13.667 11.794 -4.805 1.00 0.00 C ATOM 770 C ARG A 56 -14.942 12.565 -4.451 1.00 0.00 C ATOM 771 O ARG A 56 -15.789 12.801 -5.290 1.00 0.00 O ATOM 772 CB ARG A 56 -13.583 10.497 -3.999 1.00 0.00 C ATOM 773 CG ARG A 56 -14.709 9.554 -4.429 1.00 0.00 C ATOM 774 CD ARG A 56 -15.230 8.791 -3.210 1.00 0.00 C ATOM 775 NE ARG A 56 -16.480 8.129 -3.677 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.499 8.015 -2.870 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.535 8.796 -3.013 1.00 0.00 N ATOM 778 NH2 ARG A 56 -17.483 7.119 -1.921 1.00 0.00 N ATOM 0 H ARG A 56 -11.955 12.209 -3.600 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.698 11.606 -5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.615 10.021 -4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.662 10.713 -2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -15.518 10.122 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.344 8.854 -5.181 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.502 8.059 -2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.428 9.465 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.539 7.765 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.548 9.495 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.332 8.707 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.674 6.508 -1.810 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.280 7.030 -1.290 1.00 0.00 H new ATOM 792 N GLU A 57 -15.085 12.958 -3.215 1.00 0.00 N ATOM 793 CA GLU A 57 -16.305 13.714 -2.810 1.00 0.00 C ATOM 794 C GLU A 57 -16.436 14.994 -3.638 1.00 0.00 C ATOM 795 O GLU A 57 -17.508 15.547 -3.780 1.00 0.00 O ATOM 796 CB GLU A 57 -16.092 14.049 -1.333 1.00 0.00 C ATOM 797 CG GLU A 57 -14.771 14.802 -1.164 1.00 0.00 C ATOM 798 CD GLU A 57 -14.826 15.654 0.106 1.00 0.00 C ATOM 799 OE1 GLU A 57 -15.301 16.774 0.024 1.00 0.00 O ATOM 800 OE2 GLU A 57 -14.394 15.170 1.140 1.00 0.00 O ATOM 0 H GLU A 57 -14.411 12.789 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.217 13.140 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.919 14.657 -0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.080 13.134 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.943 14.096 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.588 15.436 -2.032 1.00 0.00 H new ATOM 807 N LEU A 58 -15.351 15.470 -4.185 1.00 0.00 N ATOM 808 CA LEU A 58 -15.412 16.715 -5.004 1.00 0.00 C ATOM 809 C LEU A 58 -16.124 16.442 -6.334 1.00 0.00 C ATOM 810 O LEU A 58 -16.599 17.346 -6.990 1.00 0.00 O ATOM 811 CB LEU A 58 -13.953 17.101 -5.246 1.00 0.00 C ATOM 812 CG LEU A 58 -13.764 18.590 -4.952 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.278 18.884 -4.735 1.00 0.00 C ATOM 814 CD2 LEU A 58 -14.277 19.413 -6.135 1.00 0.00 C ATOM 0 H LEU A 58 -14.425 15.051 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.967 17.510 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.298 16.507 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.675 16.885 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.322 18.855 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.144 19.945 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.911 18.299 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.720 18.618 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.142 20.474 -5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.719 19.147 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.336 19.205 -6.291 1.00 0.00 H new ATOM 826 N PHE A 59 -16.199 15.201 -6.736 1.00 0.00 N ATOM 827 CA PHE A 59 -16.878 14.873 -8.023 1.00 0.00 C ATOM 828 C PHE A 59 -18.270 15.511 -8.072 1.00 0.00 C ATOM 829 O PHE A 59 -18.682 16.047 -9.082 1.00 0.00 O ATOM 830 CB PHE A 59 -16.990 13.348 -8.033 1.00 0.00 C ATOM 831 CG PHE A 59 -17.474 12.887 -9.386 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.838 13.015 -9.730 1.00 0.00 C ATOM 833 CD2 PHE A 59 -16.563 12.327 -10.311 1.00 0.00 C ATOM 834 CE1 PHE A 59 -19.292 12.584 -10.996 1.00 0.00 C ATOM 835 CE2 PHE A 59 -17.017 11.896 -11.577 1.00 0.00 C ATOM 836 CZ PHE A 59 -18.381 12.024 -11.920 1.00 0.00 C ATOM 0 H PHE A 59 -15.820 14.401 -6.229 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.327 15.250 -8.885 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.022 12.900 -7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.680 13.018 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.534 13.443 -9.024 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -15.520 12.229 -10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -20.335 12.682 -11.258 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.321 11.468 -12.283 1.00 0.00 H new ATOM 0 HZ PHE A 59 -18.728 11.694 -12.888 1.00 0.00 H new ATOM 846 N ILE A 60 -18.995 15.459 -6.989 1.00 0.00 N ATOM 847 CA ILE A 60 -20.359 16.064 -6.976 1.00 0.00 C ATOM 848 C ILE A 60 -20.258 17.591 -6.934 1.00 0.00 C ATOM 849 O ILE A 60 -21.069 18.292 -7.505 1.00 0.00 O ATOM 850 CB ILE A 60 -21.016 15.533 -5.702 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.159 14.012 -5.796 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.400 16.166 -5.539 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.998 13.648 -7.023 1.00 0.00 C ATOM 0 H ILE A 60 -18.704 15.025 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.934 15.808 -7.866 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.396 15.787 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -20.175 13.548 -5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.631 13.625 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.869 15.787 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.299 17.249 -5.471 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -23.019 15.913 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -22.098 12.564 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -22.986 14.099 -6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.508 14.021 -7.922 1.00 0.00 H new ATOM 865 N ALA A 61 -19.267 18.111 -6.263 1.00 0.00 N ATOM 866 CA ALA A 61 -19.116 19.593 -6.186 1.00 0.00 C ATOM 867 C ALA A 61 -18.807 20.164 -7.573 1.00 0.00 C ATOM 868 O ALA A 61 -19.030 21.328 -7.840 1.00 0.00 O ATOM 869 CB ALA A 61 -17.939 19.822 -5.237 1.00 0.00 C ATOM 0 H ALA A 61 -18.556 17.575 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 61 -20.024 20.084 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.763 20.892 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -18.168 19.390 -4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.046 19.347 -5.644 1.00 0.00 H new ATOM 875 N ALA A 62 -18.295 19.353 -8.459 1.00 0.00 N ATOM 876 CA ALA A 62 -17.973 19.849 -9.827 1.00 0.00 C ATOM 877 C ALA A 62 -18.870 19.164 -10.862 1.00 0.00 C ATOM 878 O ALA A 62 -19.602 19.809 -11.587 1.00 0.00 O ATOM 879 CB ALA A 62 -16.510 19.471 -10.051 1.00 0.00 C ATOM 0 H ALA A 62 -18.086 18.368 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.136 20.922 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.196 19.803 -11.040 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.890 19.951 -9.293 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.399 18.389 -9.979 1.00 0.00 H new ATOM 1059 N PRO B 19 15.457 -19.129 11.206 1.00 0.00 N ATOM 1060 CA PRO B 19 14.916 -20.030 12.246 1.00 0.00 C ATOM 1061 C PRO B 19 13.494 -20.496 11.904 1.00 0.00 C ATOM 1062 O PRO B 19 12.794 -21.021 12.744 1.00 0.00 O ATOM 1063 CB PRO B 19 14.911 -19.159 13.495 1.00 0.00 C ATOM 1064 CG PRO B 19 14.835 -17.741 13.004 1.00 0.00 C ATOM 1065 CD PRO B 19 15.249 -17.719 11.551 1.00 0.00 C ATOM 0 HA PRO B 19 15.502 -20.942 12.356 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.061 -19.397 14.135 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.811 -19.320 14.088 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.822 -17.354 13.116 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.489 -17.099 13.595 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.479 -17.267 10.926 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.159 -17.137 11.407 1.00 0.00 H new ATOM 1073 N LYS B 20 13.069 -20.318 10.678 1.00 0.00 N ATOM 1074 CA LYS B 20 11.693 -20.756 10.266 1.00 0.00 C ATOM 1075 C LYS B 20 10.618 -19.932 10.985 1.00 0.00 C ATOM 1076 O LYS B 20 9.851 -19.226 10.361 1.00 0.00 O ATOM 1077 CB LYS B 20 11.586 -22.236 10.654 1.00 0.00 C ATOM 1078 CG LYS B 20 10.434 -22.882 9.883 1.00 0.00 C ATOM 1079 CD LYS B 20 9.102 -22.426 10.483 1.00 0.00 C ATOM 1080 CE LYS B 20 8.133 -23.609 10.533 1.00 0.00 C ATOM 1081 NZ LYS B 20 7.577 -23.710 9.156 1.00 0.00 N ATOM 0 H LYS B 20 13.619 -19.885 9.936 1.00 0.00 H new ATOM 0 HA LYS B 20 11.537 -20.610 9.197 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.521 -22.750 10.431 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.418 -22.331 11.727 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.485 -22.604 8.830 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.514 -23.968 9.930 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.260 -22.029 11.486 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.678 -21.620 9.884 1.00 0.00 H new ATOM 0 HE2 LYS B 20 8.646 -24.527 10.820 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.344 -23.442 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 6.903 -24.500 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 7.089 -22.824 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 8.350 -23.876 8.481 1.00 0.00 H new ATOM 1095 N ALA B 21 10.551 -20.016 12.290 1.00 0.00 N ATOM 1096 CA ALA B 21 9.521 -19.237 13.047 1.00 0.00 C ATOM 1097 C ALA B 21 9.490 -17.783 12.565 1.00 0.00 C ATOM 1098 O ALA B 21 8.442 -17.227 12.301 1.00 0.00 O ATOM 1099 CB ALA B 21 9.968 -19.307 14.507 1.00 0.00 C ATOM 0 H ALA B 21 11.166 -20.591 12.866 1.00 0.00 H new ATOM 0 HA ALA B 21 8.517 -19.637 12.906 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.262 -18.758 15.130 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.001 -20.348 14.828 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.960 -18.865 14.606 1.00 0.00 H new ATOM 1105 N LEU B 22 10.634 -17.169 12.439 1.00 0.00 N ATOM 1106 CA LEU B 22 10.673 -15.759 11.960 1.00 0.00 C ATOM 1107 C LEU B 22 10.461 -15.732 10.442 1.00 0.00 C ATOM 1108 O LEU B 22 9.521 -15.143 9.946 1.00 0.00 O ATOM 1109 CB LEU B 22 12.078 -15.256 12.343 1.00 0.00 C ATOM 1110 CG LEU B 22 12.454 -13.996 11.544 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.302 -12.989 11.573 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.698 -13.358 12.164 1.00 0.00 C ATOM 0 H LEU B 22 11.543 -17.583 12.647 1.00 0.00 H new ATOM 0 HA LEU B 22 9.896 -15.132 12.397 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.110 -15.036 13.410 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.811 -16.040 12.157 1.00 0.00 H new ATOM 0 HG LEU B 22 12.655 -14.277 10.510 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.580 -12.102 11.004 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.413 -13.440 11.131 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.091 -12.707 12.605 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.968 -12.465 11.601 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.490 -13.085 13.199 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.524 -14.069 12.135 1.00 0.00 H new ATOM 1124 N GLN B 23 11.331 -16.369 9.709 1.00 0.00 N ATOM 1125 CA GLN B 23 11.197 -16.397 8.220 1.00 0.00 C ATOM 1126 C GLN B 23 9.756 -16.732 7.815 1.00 0.00 C ATOM 1127 O GLN B 23 9.254 -16.249 6.820 1.00 0.00 O ATOM 1128 CB GLN B 23 12.157 -17.501 7.766 1.00 0.00 C ATOM 1129 CG GLN B 23 11.999 -17.739 6.261 1.00 0.00 C ATOM 1130 CD GLN B 23 12.830 -18.954 5.847 1.00 0.00 C ATOM 1131 OE1 GLN B 23 12.857 -19.952 6.539 1.00 0.00 O ATOM 1132 NE2 GLN B 23 13.515 -18.912 4.736 1.00 0.00 N ATOM 0 H GLN B 23 12.136 -16.876 10.077 1.00 0.00 H new ATOM 0 HA GLN B 23 11.430 -15.435 7.765 1.00 0.00 H new ATOM 0 HB2 GLN B 23 13.185 -17.218 7.993 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.952 -18.421 8.313 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.950 -17.902 6.016 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.322 -16.858 5.707 1.00 0.00 H new ATOM 0 HE21 GLN B 23 13.493 -18.074 4.154 1.00 0.00 H new ATOM 0 HE22 GLN B 23 14.072 -19.717 4.450 1.00 0.00 H new ATOM 1141 N GLN B 24 9.088 -17.551 8.579 1.00 0.00 N ATOM 1142 CA GLN B 24 7.682 -17.909 8.236 1.00 0.00 C ATOM 1143 C GLN B 24 6.754 -16.725 8.526 1.00 0.00 C ATOM 1144 O GLN B 24 5.803 -16.480 7.812 1.00 0.00 O ATOM 1145 CB GLN B 24 7.340 -19.093 9.140 1.00 0.00 C ATOM 1146 CG GLN B 24 5.988 -19.678 8.727 1.00 0.00 C ATOM 1147 CD GLN B 24 4.939 -19.343 9.788 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.995 -19.844 10.894 1.00 0.00 O ATOM 1149 NE2 GLN B 24 3.978 -18.509 9.498 1.00 0.00 N ATOM 0 H GLN B 24 9.454 -17.988 9.425 1.00 0.00 H new ATOM 0 HA GLN B 24 7.563 -18.158 7.181 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.115 -19.856 9.067 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.306 -18.771 10.181 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.685 -19.274 7.761 1.00 0.00 H new ATOM 0 HG3 GLN B 24 6.069 -20.759 8.609 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.931 -18.088 8.570 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.274 -18.278 10.199 1.00 0.00 H new ATOM 1158 N LYS B 25 7.027 -15.990 9.569 1.00 0.00 N ATOM 1159 CA LYS B 25 6.163 -14.821 9.904 1.00 0.00 C ATOM 1160 C LYS B 25 6.375 -13.701 8.883 1.00 0.00 C ATOM 1161 O LYS B 25 5.434 -13.123 8.375 1.00 0.00 O ATOM 1162 CB LYS B 25 6.623 -14.374 11.292 1.00 0.00 C ATOM 1163 CG LYS B 25 5.602 -14.825 12.339 1.00 0.00 C ATOM 1164 CD LYS B 25 6.282 -15.755 13.346 1.00 0.00 C ATOM 1165 CE LYS B 25 5.650 -15.563 14.726 1.00 0.00 C ATOM 1166 NZ LYS B 25 6.352 -14.387 15.310 1.00 0.00 N ATOM 0 H LYS B 25 7.810 -16.148 10.204 1.00 0.00 H new ATOM 0 HA LYS B 25 5.102 -15.072 9.887 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.601 -14.799 11.517 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.732 -13.290 11.319 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.184 -13.959 12.852 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.772 -15.340 11.855 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.177 -16.792 13.027 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.350 -15.542 13.391 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.578 -15.384 14.648 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.781 -16.449 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.753 -13.953 16.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 7.250 -14.695 15.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.544 -13.691 14.562 1.00 0.00 H new ATOM 1180 N ILE B 26 7.605 -13.390 8.576 1.00 0.00 N ATOM 1181 CA ILE B 26 7.877 -12.308 7.586 1.00 0.00 C ATOM 1182 C ILE B 26 7.173 -12.617 6.262 1.00 0.00 C ATOM 1183 O ILE B 26 6.403 -11.824 5.756 1.00 0.00 O ATOM 1184 CB ILE B 26 9.394 -12.311 7.400 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.071 -11.956 8.727 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.781 -11.278 6.341 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.519 -12.447 8.707 1.00 0.00 C ATOM 0 H ILE B 26 8.433 -13.838 8.968 1.00 0.00 H new ATOM 0 HA ILE B 26 7.511 -11.338 7.923 1.00 0.00 H new ATOM 0 HB ILE B 26 9.718 -13.301 7.078 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.043 -10.878 8.885 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.532 -12.413 9.557 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.863 -11.280 6.209 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.299 -11.528 5.396 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.457 -10.288 6.663 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.002 -12.195 9.651 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.535 -13.528 8.569 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.054 -11.969 7.887 1.00 0.00 H new ATOM 1199 N HIS B 27 7.431 -13.764 5.696 1.00 0.00 N ATOM 1200 CA HIS B 27 6.778 -14.123 4.405 1.00 0.00 C ATOM 1201 C HIS B 27 5.255 -14.037 4.541 1.00 0.00 C ATOM 1202 O HIS B 27 4.551 -13.772 3.588 1.00 0.00 O ATOM 1203 CB HIS B 27 7.211 -15.564 4.130 1.00 0.00 C ATOM 1204 CG HIS B 27 7.382 -15.762 2.650 1.00 0.00 C ATOM 1205 ND1 HIS B 27 6.312 -16.026 1.810 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.494 -15.739 1.844 1.00 0.00 C ATOM 1207 CE1 HIS B 27 6.797 -16.150 0.562 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.122 -15.983 0.525 1.00 0.00 N ATOM 0 H HIS B 27 8.066 -14.468 6.072 1.00 0.00 H new ATOM 0 HA HIS B 27 7.063 -13.450 3.596 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.146 -15.779 4.647 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.466 -16.259 4.517 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.504 -15.559 2.182 1.00 0.00 H new ATOM 0 HE1 HIS B 27 6.189 -16.359 -0.306 1.00 0.00 H new ATOM 0 HE2 HIS B 27 8.730 -16.025 -0.293 1.00 0.00 H new ATOM 1216 N GLU B 28 4.743 -14.258 5.721 1.00 0.00 N ATOM 1217 CA GLU B 28 3.267 -14.189 5.918 1.00 0.00 C ATOM 1218 C GLU B 28 2.810 -12.730 5.985 1.00 0.00 C ATOM 1219 O GLU B 28 1.791 -12.362 5.435 1.00 0.00 O ATOM 1220 CB GLU B 28 3.012 -14.894 7.252 1.00 0.00 C ATOM 1221 CG GLU B 28 1.780 -15.792 7.128 1.00 0.00 C ATOM 1222 CD GLU B 28 2.019 -16.842 6.041 1.00 0.00 C ATOM 1223 OE1 GLU B 28 3.088 -17.430 6.038 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.130 -17.039 5.230 1.00 0.00 O ATOM 0 H GLU B 28 5.283 -14.483 6.557 1.00 0.00 H new ATOM 0 HA GLU B 28 2.719 -14.655 5.100 1.00 0.00 H new ATOM 0 HB2 GLU B 28 3.881 -15.488 7.533 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.860 -14.158 8.041 1.00 0.00 H new ATOM 0 HG2 GLU B 28 1.576 -16.280 8.081 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.903 -15.192 6.883 1.00 0.00 H new ATOM 1231 N LEU B 29 3.557 -11.894 6.654 1.00 0.00 N ATOM 1232 CA LEU B 29 3.166 -10.459 6.754 1.00 0.00 C ATOM 1233 C LEU B 29 3.502 -9.728 5.451 1.00 0.00 C ATOM 1234 O LEU B 29 2.730 -8.930 4.959 1.00 0.00 O ATOM 1235 CB LEU B 29 3.994 -9.902 7.912 1.00 0.00 C ATOM 1236 CG LEU B 29 3.517 -10.520 9.228 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.509 -10.180 10.340 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.139 -9.956 9.585 1.00 0.00 C ATOM 0 H LEU B 29 4.421 -12.143 7.136 1.00 0.00 H new ATOM 0 HA LEU B 29 2.096 -10.333 6.922 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.050 -10.123 7.757 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.898 -8.817 7.952 1.00 0.00 H new ATOM 0 HG LEU B 29 3.451 -11.602 9.118 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.169 -10.620 11.278 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.491 -10.579 10.086 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.575 -9.098 10.450 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.798 -10.395 10.522 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.206 -8.874 9.695 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.431 -10.197 8.792 1.00 0.00 H new ATOM 1250 N GLU B 30 4.650 -9.994 4.890 1.00 0.00 N ATOM 1251 CA GLU B 30 5.035 -9.313 3.620 1.00 0.00 C ATOM 1252 C GLU B 30 4.040 -9.664 2.511 1.00 0.00 C ATOM 1253 O GLU B 30 3.700 -8.840 1.685 1.00 0.00 O ATOM 1254 CB GLU B 30 6.425 -9.857 3.285 1.00 0.00 C ATOM 1255 CG GLU B 30 6.977 -9.126 2.059 1.00 0.00 C ATOM 1256 CD GLU B 30 7.270 -10.138 0.950 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.514 -11.088 0.826 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.246 -9.946 0.242 1.00 0.00 O ATOM 0 H GLU B 30 5.338 -10.653 5.255 1.00 0.00 H new ATOM 0 HA GLU B 30 5.034 -8.227 3.716 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.095 -9.722 4.134 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.371 -10.928 3.089 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.257 -8.386 1.709 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.887 -8.587 2.323 1.00 0.00 H new ATOM 1265 N GLY B 31 3.571 -10.882 2.485 1.00 0.00 N ATOM 1266 CA GLY B 31 2.599 -11.284 1.429 1.00 0.00 C ATOM 1267 C GLY B 31 1.253 -10.607 1.690 1.00 0.00 C ATOM 1268 O GLY B 31 0.465 -10.401 0.788 1.00 0.00 O ATOM 0 H GLY B 31 3.819 -11.616 3.149 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.976 -11.001 0.446 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.478 -12.367 1.424 1.00 0.00 H new ATOM 1272 N LEU B 32 0.980 -10.259 2.918 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.316 -9.594 3.234 1.00 0.00 C ATOM 1274 C LEU B 32 -0.325 -8.166 2.682 1.00 0.00 C ATOM 1275 O LEU B 32 -1.317 -7.700 2.155 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.394 -9.581 4.761 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.848 -9.759 5.201 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.371 -11.109 4.705 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.928 -9.714 6.728 1.00 0.00 C ATOM 0 H LEU B 32 1.598 -10.406 3.716 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.166 -10.112 2.789 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.222 -10.380 5.174 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.001 -8.642 5.148 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.454 -8.957 4.780 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.407 -11.235 5.019 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.315 -11.144 3.617 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.764 -11.911 5.125 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.964 -9.841 7.042 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.321 -10.516 7.148 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.556 -8.753 7.084 1.00 0.00 H new ATOM 1291 N MET B 33 0.771 -7.468 2.798 1.00 0.00 N ATOM 1292 CA MET B 33 0.823 -6.071 2.278 1.00 0.00 C ATOM 1293 C MET B 33 0.404 -6.038 0.806 1.00 0.00 C ATOM 1294 O MET B 33 -0.427 -5.248 0.405 1.00 0.00 O ATOM 1295 CB MET B 33 2.286 -5.650 2.425 1.00 0.00 C ATOM 1296 CG MET B 33 2.477 -4.905 3.747 1.00 0.00 C ATOM 1297 SD MET B 33 4.188 -5.094 4.304 1.00 0.00 S ATOM 1298 CE MET B 33 4.982 -4.313 2.877 1.00 0.00 C ATOM 0 H MET B 33 1.632 -7.803 3.230 1.00 0.00 H new ATOM 0 HA MET B 33 0.148 -5.405 2.816 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.932 -6.527 2.394 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.576 -5.011 1.591 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.239 -3.849 3.619 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.793 -5.297 4.500 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.951 -4.779 2.699 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.352 -4.438 1.996 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.122 -3.250 3.075 1.00 0.00 H new ATOM 1308 N MET B 34 0.975 -6.888 -0.002 1.00 0.00 N ATOM 1309 CA MET B 34 0.615 -6.906 -1.449 1.00 0.00 C ATOM 1310 C MET B 34 -0.904 -6.996 -1.625 1.00 0.00 C ATOM 1311 O MET B 34 -1.486 -6.304 -2.435 1.00 0.00 O ATOM 1312 CB MET B 34 1.294 -8.155 -2.011 1.00 0.00 C ATOM 1313 CG MET B 34 2.806 -8.054 -1.802 1.00 0.00 C ATOM 1314 SD MET B 34 3.661 -8.748 -3.239 1.00 0.00 S ATOM 1315 CE MET B 34 4.064 -7.179 -4.044 1.00 0.00 C ATOM 0 H MET B 34 1.677 -7.573 0.278 1.00 0.00 H new ATOM 0 HA MET B 34 0.936 -5.999 -1.961 1.00 0.00 H new ATOM 0 HB2 MET B 34 0.907 -9.046 -1.516 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.069 -8.257 -3.073 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.096 -7.013 -1.661 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.096 -8.591 -0.899 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.892 -7.266 -5.117 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.433 -6.389 -3.638 1.00 0.00 H new ATOM 0 HE3 MET B 34 5.111 -6.936 -3.863 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.550 -7.847 -0.874 1.00 0.00 N ATOM 1326 CA GLN B 35 -3.031 -7.983 -1.001 1.00 0.00 C ATOM 1327 C GLN B 35 -3.704 -6.609 -0.917 1.00 0.00 C ATOM 1328 O GLN B 35 -4.100 -6.040 -1.914 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.448 -8.866 0.178 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.974 -8.964 0.235 1.00 0.00 C ATOM 1331 CD GLN B 35 -5.407 -10.401 -0.064 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -5.860 -10.698 -1.150 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -5.285 -11.312 0.863 1.00 0.00 N ATOM 0 H GLN B 35 -1.117 -8.454 -0.178 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.326 -8.415 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -3.014 -9.860 0.072 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -3.066 -8.449 1.110 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -5.331 -8.663 1.220 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -5.420 -8.281 -0.488 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.904 -11.063 1.776 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.570 -12.273 0.674 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.840 -6.074 0.266 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.491 -4.740 0.410 1.00 0.00 C ATOM 1344 C HIS B 36 -3.799 -3.710 -0.487 1.00 0.00 C ATOM 1345 O HIS B 36 -4.438 -3.006 -1.245 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.313 -4.375 1.882 1.00 0.00 C ATOM 1347 CG HIS B 36 -5.510 -4.842 2.663 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.797 -4.364 3.932 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.502 -5.743 2.369 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.921 -4.974 4.351 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -7.393 -5.825 3.435 1.00 0.00 N ATOM 0 H HIS B 36 -3.529 -6.502 1.138 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.540 -4.758 0.116 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.407 -4.836 2.275 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.194 -3.297 1.988 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.580 -6.304 1.449 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.385 -4.797 5.310 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -8.227 -6.409 3.503 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.497 -3.618 -0.407 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.750 -2.639 -1.254 1.00 0.00 C ATOM 1361 C ALA B 37 -2.229 -2.724 -2.708 1.00 0.00 C ATOM 1362 O ALA B 37 -2.276 -1.738 -3.417 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.284 -3.067 -1.142 1.00 0.00 C ATOM 0 H ALA B 37 -1.915 -4.182 0.212 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.901 -1.608 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.337 -2.397 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.030 -3.022 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.174 -4.087 -1.510 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.602 -3.895 -3.151 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.096 -4.040 -4.551 1.00 0.00 C ATOM 1371 C GLN B 38 -4.550 -3.573 -4.630 1.00 0.00 C ATOM 1372 O GLN B 38 -4.982 -3.011 -5.617 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.992 -5.535 -4.860 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.657 -5.823 -5.547 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.889 -6.724 -6.761 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -2.295 -7.861 -6.619 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.649 -6.262 -7.958 1.00 0.00 N ATOM 0 H GLN B 38 -2.586 -4.756 -2.605 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.524 -3.444 -5.262 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.072 -6.114 -3.940 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.817 -5.843 -5.502 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.188 -4.890 -5.858 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.974 -6.306 -4.848 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.308 -5.308 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.802 -6.855 -8.774 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.305 -3.794 -3.588 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.730 -3.355 -3.587 1.00 0.00 C ATOM 1388 C ASN B 39 -6.845 -1.973 -2.936 1.00 0.00 C ATOM 1389 O ASN B 39 -7.888 -1.590 -2.444 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.470 -4.403 -2.756 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.846 -5.589 -3.646 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -8.056 -5.430 -4.832 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.940 -6.780 -3.121 1.00 0.00 N ATOM 0 H ASN B 39 -4.996 -4.261 -2.735 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.142 -3.274 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.841 -4.739 -1.931 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.367 -3.967 -2.316 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.190 -7.577 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.764 -6.914 -2.125 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.775 -1.225 -2.933 1.00 0.00 N ATOM 1401 CA LEU B 40 -5.801 0.135 -2.320 1.00 0.00 C ATOM 1402 C LEU B 40 -6.263 0.063 -0.862 1.00 0.00 C ATOM 1403 O LEU B 40 -6.814 1.006 -0.330 1.00 0.00 O ATOM 1404 CB LEU B 40 -6.791 0.939 -3.164 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.325 0.956 -4.622 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.826 -0.301 -5.334 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -6.890 2.195 -5.322 1.00 0.00 C ATOM 0 H LEU B 40 -4.877 -1.499 -3.332 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.813 0.594 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.786 0.499 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -6.866 1.958 -2.783 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.236 0.982 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.494 -0.288 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.427 -1.185 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.915 -0.328 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.559 2.209 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.979 2.167 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.534 3.093 -4.816 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.031 -1.040 -0.208 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.443 -1.158 1.220 1.00 0.00 C ATOM 1421 C GLU B 41 -5.209 -1.087 2.128 1.00 0.00 C ATOM 1422 O GLU B 41 -5.247 -1.480 3.276 1.00 0.00 O ATOM 1423 CB GLU B 41 -7.115 -2.527 1.330 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.470 -2.490 0.622 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.546 -2.020 1.603 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.353 -2.198 2.793 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.545 -1.489 1.145 1.00 0.00 O ATOM 0 H GLU B 41 -5.575 -1.864 -0.599 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.113 -0.354 1.527 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.480 -3.292 0.883 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.248 -2.795 2.378 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.426 -1.818 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.719 -3.480 0.239 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.113 -0.588 1.612 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.864 -0.488 2.419 1.00 0.00 C ATOM 1436 C PHE B 42 -3.053 0.395 3.658 1.00 0.00 C ATOM 1437 O PHE B 42 -2.188 0.447 4.505 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.820 0.131 1.483 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.356 1.399 0.856 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.618 2.536 1.655 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.586 1.452 -0.538 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.112 3.718 1.061 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.075 2.635 -1.130 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.339 3.768 -0.329 1.00 0.00 C ATOM 0 H PHE B 42 -4.033 -0.243 0.656 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.563 -1.468 2.788 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -0.909 0.351 2.039 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.553 -0.583 0.703 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.440 2.500 2.720 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.387 0.585 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.316 4.585 1.672 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.248 2.675 -2.195 1.00 0.00 H new ATOM 0 HZ PHE B 42 -3.715 4.673 -0.782 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.156 1.090 3.791 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.344 1.947 5.003 1.00 0.00 C ATOM 1456 C GLU B 43 -4.040 1.121 6.256 1.00 0.00 C ATOM 1457 O GLU B 43 -3.063 1.344 6.942 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.814 2.365 4.974 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.136 3.181 6.228 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.649 3.195 6.454 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.136 2.298 7.123 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.294 4.102 5.955 1.00 0.00 O ATOM 0 H GLU B 43 -4.926 1.102 3.122 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.684 2.815 5.014 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.018 2.955 4.081 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.453 1.483 4.926 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.632 2.751 7.094 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.765 4.200 6.117 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.857 0.147 6.533 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.606 -0.726 7.714 1.00 0.00 C ATOM 1471 C GLU B 44 -3.575 -1.805 7.351 1.00 0.00 C ATOM 1472 O GLU B 44 -2.969 -2.414 8.210 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.960 -1.359 8.038 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.470 -2.134 6.821 1.00 0.00 C ATOM 1475 CD GLU B 44 -7.374 -3.277 7.285 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.999 -3.957 8.226 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -8.424 -3.454 6.691 1.00 0.00 O ATOM 0 H GLU B 44 -5.690 -0.084 5.992 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.208 -0.174 8.565 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.865 -2.028 8.893 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.677 -0.586 8.316 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -7.021 -1.468 6.157 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.630 -2.530 6.250 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.393 -2.056 6.079 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.424 -3.107 5.641 1.00 0.00 C ATOM 1486 C ALA B 45 -0.978 -2.608 5.722 1.00 0.00 C ATOM 1487 O ALA B 45 -0.115 -3.275 6.259 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.805 -3.397 4.187 1.00 0.00 C ATOM 0 H ALA B 45 -3.877 -1.575 5.321 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.473 -3.991 6.277 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -2.142 -4.162 3.783 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.835 -3.751 4.144 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.710 -2.485 3.597 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.698 -1.453 5.186 1.00 0.00 N ATOM 1495 CA ALA B 46 0.698 -0.933 5.227 1.00 0.00 C ATOM 1496 C ALA B 46 1.241 -0.975 6.656 1.00 0.00 C ATOM 1497 O ALA B 46 2.434 -1.019 6.871 1.00 0.00 O ATOM 1498 CB ALA B 46 0.612 0.508 4.723 1.00 0.00 C ATOM 0 H ALA B 46 -1.374 -0.847 4.722 1.00 0.00 H new ATOM 0 HA ALA B 46 1.373 -1.532 4.616 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.606 0.955 4.726 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.214 0.515 3.708 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.046 1.083 5.375 1.00 0.00 H new ATOM 1504 N GLN B 47 0.380 -0.973 7.639 1.00 0.00 N ATOM 1505 CA GLN B 47 0.868 -1.024 9.048 1.00 0.00 C ATOM 1506 C GLN B 47 1.831 -2.200 9.220 1.00 0.00 C ATOM 1507 O GLN B 47 2.788 -2.128 9.965 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.380 -1.228 9.903 1.00 0.00 C ATOM 1509 CG GLN B 47 -1.382 -0.106 9.624 1.00 0.00 C ATOM 1510 CD GLN B 47 -2.253 0.118 10.860 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -1.939 0.942 11.697 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -3.342 -0.583 11.013 1.00 0.00 N ATOM 0 H GLN B 47 -0.633 -0.939 7.529 1.00 0.00 H new ATOM 0 HA GLN B 47 1.405 -0.119 9.331 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.831 -2.195 9.681 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.112 -1.236 10.960 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.854 0.812 9.367 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -2.006 -0.365 8.768 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -3.606 -1.275 10.311 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -3.930 -0.440 11.834 1.00 0.00 H new ATOM 1521 N ILE B 48 1.594 -3.280 8.520 1.00 0.00 N ATOM 1522 CA ILE B 48 2.507 -4.454 8.630 1.00 0.00 C ATOM 1523 C ILE B 48 3.943 -3.999 8.377 1.00 0.00 C ATOM 1524 O ILE B 48 4.890 -4.576 8.875 1.00 0.00 O ATOM 1525 CB ILE B 48 2.045 -5.422 7.541 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.634 -5.919 7.866 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.001 -6.614 7.475 1.00 0.00 C ATOM 1528 CD1 ILE B 48 -0.005 -6.504 6.606 1.00 0.00 C ATOM 0 H ILE B 48 0.809 -3.398 7.879 1.00 0.00 H new ATOM 0 HA ILE B 48 2.480 -4.921 9.614 1.00 0.00 H new ATOM 0 HB ILE B 48 2.039 -4.909 6.580 1.00 0.00 H new ATOM 0 HG12 ILE B 48 0.675 -6.675 8.650 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.027 -5.098 8.247 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.670 -7.303 6.698 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.006 -6.262 7.244 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.009 -7.128 8.436 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -1.010 -6.858 6.838 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.060 -5.735 5.835 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.598 -7.337 6.245 1.00 0.00 H new ATOM 1540 N ARG B 49 4.107 -2.951 7.614 1.00 0.00 N ATOM 1541 CA ARG B 49 5.477 -2.431 7.333 1.00 0.00 C ATOM 1542 C ARG B 49 6.235 -2.247 8.654 1.00 0.00 C ATOM 1543 O ARG B 49 7.431 -2.450 8.730 1.00 0.00 O ATOM 1544 CB ARG B 49 5.244 -1.086 6.632 1.00 0.00 C ATOM 1545 CG ARG B 49 6.547 -0.281 6.558 1.00 0.00 C ATOM 1546 CD ARG B 49 6.349 1.072 7.249 1.00 0.00 C ATOM 1547 NE ARG B 49 5.923 0.745 8.641 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.716 1.010 9.642 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.003 0.836 9.519 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.221 1.450 10.767 1.00 0.00 N ATOM 0 H ARG B 49 3.349 -2.431 7.172 1.00 0.00 H new ATOM 0 HA ARG B 49 6.075 -3.104 6.718 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.858 -1.256 5.627 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.488 -0.515 7.171 1.00 0.00 H new ATOM 0 HG2 ARG B 49 7.356 -0.832 7.038 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.837 -0.132 5.518 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.271 1.654 7.246 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.594 1.669 6.737 1.00 0.00 H new ATOM 0 HE ARG B 49 5.013 0.315 8.809 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.389 0.493 8.640 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.623 1.043 10.302 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.215 1.586 10.863 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.841 1.657 11.550 1.00 0.00 H new ATOM 1564 N ASP B 50 5.543 -1.871 9.695 1.00 0.00 N ATOM 1565 CA ASP B 50 6.218 -1.685 11.010 1.00 0.00 C ATOM 1566 C ASP B 50 6.637 -3.044 11.574 1.00 0.00 C ATOM 1567 O ASP B 50 7.653 -3.170 12.228 1.00 0.00 O ATOM 1568 CB ASP B 50 5.166 -1.030 11.907 1.00 0.00 C ATOM 1569 CG ASP B 50 5.861 -0.190 12.979 1.00 0.00 C ATOM 1570 OD1 ASP B 50 6.807 -0.684 13.569 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.436 0.935 13.191 1.00 0.00 O ATOM 0 H ASP B 50 4.540 -1.685 9.691 1.00 0.00 H new ATOM 0 HA ASP B 50 7.119 -1.077 10.935 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.504 -0.402 11.310 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.545 -1.794 12.375 1.00 0.00 H new ATOM 1576 N GLN B 51 5.864 -4.064 11.319 1.00 0.00 N ATOM 1577 CA GLN B 51 6.221 -5.416 11.834 1.00 0.00 C ATOM 1578 C GLN B 51 7.301 -6.043 10.949 1.00 0.00 C ATOM 1579 O GLN B 51 8.224 -6.672 11.428 1.00 0.00 O ATOM 1580 CB GLN B 51 4.925 -6.226 11.757 1.00 0.00 C ATOM 1581 CG GLN B 51 3.819 -5.498 12.523 1.00 0.00 C ATOM 1582 CD GLN B 51 2.476 -6.178 12.250 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.507 -5.524 11.919 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.375 -7.473 12.375 1.00 0.00 N ATOM 0 H GLN B 51 5.001 -4.020 10.777 1.00 0.00 H new ATOM 0 HA GLN B 51 6.618 -5.383 12.849 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.631 -6.363 10.716 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.080 -7.219 12.178 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.034 -5.510 13.592 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.778 -4.453 12.217 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.188 -8.023 12.653 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.484 -7.935 12.195 1.00 0.00 H new ATOM 1593 N LEU B 52 7.193 -5.873 9.659 1.00 0.00 N ATOM 1594 CA LEU B 52 8.213 -6.455 8.740 1.00 0.00 C ATOM 1595 C LEU B 52 9.594 -5.862 9.038 1.00 0.00 C ATOM 1596 O LEU B 52 10.588 -6.560 9.057 1.00 0.00 O ATOM 1597 CB LEU B 52 7.752 -6.058 7.336 1.00 0.00 C ATOM 1598 CG LEU B 52 7.268 -7.299 6.585 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.417 -8.302 6.462 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.112 -7.942 7.353 1.00 0.00 C ATOM 0 H LEU B 52 6.442 -5.356 9.202 1.00 0.00 H new ATOM 0 HA LEU B 52 8.301 -7.536 8.851 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.949 -5.323 7.400 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.572 -5.588 6.792 1.00 0.00 H new ATOM 0 HG LEU B 52 6.928 -7.011 5.590 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.072 -9.187 5.927 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.242 -7.845 5.915 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.757 -8.590 7.457 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.767 -8.827 6.818 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.452 -8.229 8.348 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.293 -7.229 7.441 1.00 0.00 H new ATOM 1612 N HIS B 53 9.661 -4.579 9.269 1.00 0.00 N ATOM 1613 CA HIS B 53 10.976 -3.942 9.564 1.00 0.00 C ATOM 1614 C HIS B 53 11.537 -4.469 10.888 1.00 0.00 C ATOM 1615 O HIS B 53 12.716 -4.733 11.012 1.00 0.00 O ATOM 1616 CB HIS B 53 10.676 -2.446 9.668 1.00 0.00 C ATOM 1617 CG HIS B 53 11.875 -1.660 9.212 1.00 0.00 C ATOM 1618 ND1 HIS B 53 12.489 -1.890 7.991 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.583 -0.642 9.802 1.00 0.00 C ATOM 1620 CE1 HIS B 53 13.518 -1.030 7.886 1.00 0.00 C ATOM 1621 NE2 HIS B 53 13.620 -0.246 8.963 1.00 0.00 N ATOM 0 H HIS B 53 8.862 -3.945 9.266 1.00 0.00 H new ATOM 0 HA HIS B 53 11.720 -4.158 8.797 1.00 0.00 H new ATOM 0 HB2 HIS B 53 9.809 -2.195 9.056 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.427 -2.185 10.697 1.00 0.00 H new ATOM 0 HD2 HIS B 53 12.368 -0.214 10.770 1.00 0.00 H new ATOM 0 HE1 HIS B 53 14.181 -0.979 7.035 1.00 0.00 H new ATOM 0 HE2 HIS B 53 14.310 0.486 9.134 1.00 0.00 H new ATOM 1629 N GLN B 54 10.701 -4.624 11.879 1.00 0.00 N ATOM 1630 CA GLN B 54 11.188 -5.132 13.193 1.00 0.00 C ATOM 1631 C GLN B 54 11.486 -6.632 13.105 1.00 0.00 C ATOM 1632 O GLN B 54 12.481 -7.107 13.615 1.00 0.00 O ATOM 1633 CB GLN B 54 10.041 -4.869 14.169 1.00 0.00 C ATOM 1634 CG GLN B 54 10.600 -4.285 15.468 1.00 0.00 C ATOM 1635 CD GLN B 54 9.461 -3.673 16.285 1.00 0.00 C ATOM 1636 OE1 GLN B 54 9.646 -2.677 16.956 1.00 0.00 O ATOM 1637 NE2 GLN B 54 8.280 -4.230 16.257 1.00 0.00 N ATOM 0 H GLN B 54 9.702 -4.421 11.835 1.00 0.00 H new ATOM 0 HA GLN B 54 12.111 -4.644 13.507 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.324 -4.178 13.726 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.505 -5.796 14.375 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.097 -5.065 16.045 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.350 -3.526 15.245 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.124 -5.066 15.694 1.00 0.00 H new ATOM 0 HE22 GLN B 54 7.514 -3.829 16.798 1.00 0.00 H new ATOM 1646 N LEU B 55 10.631 -7.380 12.464 1.00 0.00 N ATOM 1647 CA LEU B 55 10.868 -8.848 12.346 1.00 0.00 C ATOM 1648 C LEU B 55 12.094 -9.117 11.471 1.00 0.00 C ATOM 1649 O LEU B 55 12.715 -10.158 11.559 1.00 0.00 O ATOM 1650 CB LEU B 55 9.605 -9.402 11.685 1.00 0.00 C ATOM 1651 CG LEU B 55 8.629 -9.875 12.765 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.447 -8.907 12.842 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.119 -11.273 12.412 1.00 0.00 C ATOM 0 H LEU B 55 9.780 -7.040 12.017 1.00 0.00 H new ATOM 0 HA LEU B 55 11.060 -9.314 13.312 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.138 -8.634 11.069 1.00 0.00 H new ATOM 0 HB3 LEU B 55 9.861 -10.230 11.024 1.00 0.00 H new ATOM 0 HG LEU B 55 9.138 -9.905 13.728 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.751 -9.243 13.611 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.809 -7.910 13.091 1.00 0.00 H new ATOM 0 HD13 LEU B 55 6.937 -8.878 11.879 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.424 -11.611 13.180 1.00 0.00 H new ATOM 0 HD22 LEU B 55 7.609 -11.242 11.449 1.00 0.00 H new ATOM 0 HD23 LEU B 55 8.960 -11.964 12.355 1.00 0.00 H new ATOM 1665 N ARG B 56 12.449 -8.188 10.627 1.00 0.00 N ATOM 1666 CA ARG B 56 13.636 -8.392 9.746 1.00 0.00 C ATOM 1667 C ARG B 56 14.925 -8.315 10.569 1.00 0.00 C ATOM 1668 O ARG B 56 15.741 -9.215 10.548 1.00 0.00 O ATOM 1669 CB ARG B 56 13.578 -7.251 8.732 1.00 0.00 C ATOM 1670 CG ARG B 56 14.684 -7.436 7.691 1.00 0.00 C ATOM 1671 CD ARG B 56 15.249 -6.069 7.296 1.00 0.00 C ATOM 1672 NE ARG B 56 16.478 -6.373 6.513 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.526 -5.603 6.617 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.558 -5.996 7.313 1.00 0.00 N ATOM 1675 NH2 ARG B 56 17.543 -4.439 6.027 1.00 0.00 N ATOM 0 H ARG B 56 11.969 -7.296 10.508 1.00 0.00 H new ATOM 0 HA ARG B 56 13.627 -9.368 9.261 1.00 0.00 H new ATOM 0 HB2 ARG B 56 12.604 -7.234 8.244 1.00 0.00 H new ATOM 0 HB3 ARG B 56 13.698 -6.293 9.239 1.00 0.00 H new ATOM 0 HG2 ARG B 56 15.477 -8.066 8.095 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.289 -7.946 6.812 1.00 0.00 H new ATOM 0 HD2 ARG B 56 14.532 -5.502 6.702 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.480 -5.468 8.176 1.00 0.00 H new ATOM 0 HE ARG B 56 16.501 -7.184 5.895 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.545 -6.905 7.775 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.377 -5.394 7.394 1.00 0.00 H new ATOM 0 HH21 ARG B 56 16.736 -4.131 5.484 1.00 0.00 H new ATOM 0 HH22 ARG B 56 18.363 -3.838 6.109 1.00 0.00 H new ATOM 1689 N GLU B 57 15.115 -7.246 11.294 1.00 0.00 N ATOM 1690 CA GLU B 57 16.351 -7.113 12.117 1.00 0.00 C ATOM 1691 C GLU B 57 16.454 -8.274 13.110 1.00 0.00 C ATOM 1692 O GLU B 57 17.522 -8.603 13.586 1.00 0.00 O ATOM 1693 CB GLU B 57 16.193 -5.785 12.858 1.00 0.00 C ATOM 1694 CG GLU B 57 14.881 -5.790 13.646 1.00 0.00 C ATOM 1695 CD GLU B 57 14.987 -4.815 14.819 1.00 0.00 C ATOM 1696 OE1 GLU B 57 15.462 -5.228 15.865 1.00 0.00 O ATOM 1697 OE2 GLU B 57 14.592 -3.673 14.654 1.00 0.00 O ATOM 0 H GLU B 57 14.468 -6.459 11.352 1.00 0.00 H new ATOM 0 HA GLU B 57 17.256 -7.135 11.509 1.00 0.00 H new ATOM 0 HB2 GLU B 57 17.034 -5.632 13.534 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.200 -4.958 12.148 1.00 0.00 H new ATOM 0 HG2 GLU B 57 14.053 -5.505 12.996 1.00 0.00 H new ATOM 0 HG3 GLU B 57 14.668 -6.794 14.012 1.00 0.00 H new ATOM 1704 N LEU B 58 15.351 -8.895 13.426 1.00 0.00 N ATOM 1705 CA LEU B 58 15.386 -10.034 14.387 1.00 0.00 C ATOM 1706 C LEU B 58 16.047 -11.255 13.741 1.00 0.00 C ATOM 1707 O LEU B 58 16.502 -12.157 14.417 1.00 0.00 O ATOM 1708 CB LEU B 58 13.920 -10.326 14.710 1.00 0.00 C ATOM 1709 CG LEU B 58 13.746 -10.457 16.224 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.272 -10.281 16.586 1.00 0.00 C ATOM 1711 CD2 LEU B 58 14.219 -11.842 16.671 1.00 0.00 C ATOM 0 H LEU B 58 14.427 -8.663 13.061 1.00 0.00 H new ATOM 0 HA LEU B 58 15.962 -9.799 15.282 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.286 -9.525 14.329 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.604 -11.245 14.216 1.00 0.00 H new ATOM 0 HG LEU B 58 14.336 -9.690 16.726 1.00 0.00 H new ATOM 0 HD11 LEU B 58 12.149 -10.374 17.665 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.934 -9.295 16.266 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.680 -11.048 16.085 1.00 0.00 H new ATOM 0 HD21 LEU B 58 14.096 -11.938 17.750 1.00 0.00 H new ATOM 0 HD22 LEU B 58 13.628 -12.608 16.169 1.00 0.00 H new ATOM 0 HD23 LEU B 58 15.271 -11.968 16.413 1.00 0.00 H new ATOM 1723 N PHE B 59 16.104 -11.294 12.436 1.00 0.00 N ATOM 1724 CA PHE B 59 16.735 -12.458 11.748 1.00 0.00 C ATOM 1725 C PHE B 59 18.126 -12.733 12.329 1.00 0.00 C ATOM 1726 O PHE B 59 18.502 -13.866 12.552 1.00 0.00 O ATOM 1727 CB PHE B 59 16.840 -12.041 10.281 1.00 0.00 C ATOM 1728 CG PHE B 59 17.274 -13.225 9.451 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.626 -13.637 9.460 1.00 0.00 C ATOM 1730 CD2 PHE B 59 16.329 -13.921 8.665 1.00 0.00 C ATOM 1731 CE1 PHE B 59 19.032 -14.745 8.683 1.00 0.00 C ATOM 1732 CE2 PHE B 59 16.735 -15.029 7.889 1.00 0.00 C ATOM 1733 CZ PHE B 59 18.085 -15.441 7.898 1.00 0.00 C ATOM 0 H PHE B 59 15.741 -10.570 11.817 1.00 0.00 H new ATOM 0 HA PHE B 59 16.155 -13.373 11.873 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.878 -11.669 9.928 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.556 -11.226 10.174 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.349 -13.105 10.061 1.00 0.00 H new ATOM 0 HD2 PHE B 59 15.296 -13.606 8.657 1.00 0.00 H new ATOM 0 HE1 PHE B 59 20.065 -15.060 8.689 1.00 0.00 H new ATOM 0 HE2 PHE B 59 16.012 -15.561 7.288 1.00 0.00 H new ATOM 0 HZ PHE B 59 18.394 -16.289 7.305 1.00 0.00 H new ATOM 1743 N ILE B 60 18.890 -11.705 12.574 1.00 0.00 N ATOM 1744 CA ILE B 60 20.254 -11.911 13.139 1.00 0.00 C ATOM 1745 C ILE B 60 20.160 -12.299 14.618 1.00 0.00 C ATOM 1746 O ILE B 60 20.952 -13.073 15.118 1.00 0.00 O ATOM 1747 CB ILE B 60 20.957 -10.563 12.983 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.092 -10.227 11.494 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.347 -10.633 13.618 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.886 -11.330 10.789 1.00 0.00 C ATOM 0 H ILE B 60 18.630 -10.733 12.408 1.00 0.00 H new ATOM 0 HA ILE B 60 20.793 -12.712 12.633 1.00 0.00 H new ATOM 0 HB ILE B 60 20.371 -9.789 13.479 1.00 0.00 H new ATOM 0 HG12 ILE B 60 20.105 -10.130 11.042 1.00 0.00 H new ATOM 0 HG13 ILE B 60 21.595 -9.268 11.371 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.847 -9.671 13.506 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.251 -10.871 14.677 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.934 -11.407 13.124 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.981 -11.090 9.730 1.00 0.00 H new ATOM 0 HD12 ILE B 60 22.878 -11.406 11.235 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.365 -12.281 10.900 1.00 0.00 H new ATOM 1762 N ALA B 61 19.196 -11.768 15.319 1.00 0.00 N ATOM 1763 CA ALA B 61 19.052 -12.108 16.764 1.00 0.00 C ATOM 1764 C ALA B 61 18.693 -13.588 16.924 1.00 0.00 C ATOM 1765 O ALA B 61 18.909 -14.180 17.962 1.00 0.00 O ATOM 1766 CB ALA B 61 17.911 -11.222 17.268 1.00 0.00 C ATOM 0 H ALA B 61 18.503 -11.114 14.955 1.00 0.00 H new ATOM 0 HA ALA B 61 19.974 -11.942 17.322 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.743 -11.413 18.328 1.00 0.00 H new ATOM 0 HB2 ALA B 61 18.174 -10.174 17.126 1.00 0.00 H new ATOM 0 HB3 ALA B 61 17.002 -11.447 16.710 1.00 0.00 H new ATOM 1772 N ALA B 62 18.147 -14.189 15.903 1.00 0.00 N ATOM 1773 CA ALA B 62 17.776 -15.631 15.996 1.00 0.00 C ATOM 1774 C ALA B 62 18.632 -16.461 15.035 1.00 0.00 C ATOM 1775 O ALA B 62 19.338 -17.363 15.439 1.00 0.00 O ATOM 1776 CB ALA B 62 16.304 -15.688 15.589 1.00 0.00 C ATOM 0 H ALA B 62 17.941 -13.745 15.008 1.00 0.00 H new ATOM 0 HA ALA B 62 17.938 -16.036 16.995 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.954 -16.720 15.632 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.714 -15.076 16.271 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.192 -15.309 14.573 1.00 0.00 H new ATOM 1782 N SER B 63 18.574 -16.162 13.766 1.00 0.00 N ATOM 1783 CA SER B 63 19.385 -16.933 12.780 1.00 0.00 C ATOM 1784 C SER B 63 19.116 -18.433 12.932 1.00 0.00 C ATOM 1785 O SER B 63 19.863 -19.210 12.360 1.00 0.00 O ATOM 1786 CB SER B 63 20.839 -16.612 13.125 1.00 0.00 C ATOM 1787 OG SER B 63 21.622 -16.652 11.939 1.00 0.00 O ATOM 1788 OXT SER B 63 18.168 -18.778 13.618 1.00 0.00 O ATOM 0 H SER B 63 18.001 -15.418 13.369 1.00 0.00 H new ATOM 0 HA SER B 63 19.143 -16.669 11.750 1.00 0.00 H new ATOM 0 HB2 SER B 63 20.907 -15.627 13.586 1.00 0.00 H new ATOM 0 HB3 SER B 63 21.220 -17.331 13.851 1.00 0.00 H new ATOM 0 HG SER B 63 22.555 -16.445 12.156 1.00 0.00 H new