USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 SER OG : rot 180:sc= -0.326 USER MOD Set 1.2: A 36 ASN : amide:sc= 0 X(o=-0.33,f=-0.33) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.73 K(o=-1.7,f=-6.1!) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -110:sc= -0.328 (180deg=-2.12!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.0356 (180deg=-0.693) USER MOD Single : A 45 HIS : no HE2:sc=-0.00856 K(o=-0.0086,f=-1.6) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.0378 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -175:sc= -6.01! (180deg=-6.31!) USER MOD Single : A 94 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.598 -9.917 -0.073 1.00 0.00 N ATOM 123 CA VAL A 12 -12.257 -10.243 -0.525 1.00 0.00 C ATOM 124 C VAL A 12 -11.919 -11.678 -0.116 1.00 0.00 C ATOM 125 O VAL A 12 -12.275 -12.116 0.977 1.00 0.00 O ATOM 126 CB VAL A 12 -11.259 -9.217 0.015 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.847 -9.501 -0.501 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.694 -7.792 -0.333 1.00 0.00 C ATOM 0 HA VAL A 12 -12.198 -10.193 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.243 -9.306 1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.157 -8.757 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.535 -10.495 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.841 -9.454 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.967 -7.083 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.754 -7.684 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.672 -7.593 0.106 1.00 0.00 H new ATOM 138 N PRO A 13 -11.218 -12.389 -1.039 1.00 0.00 N ATOM 139 CA PRO A 13 -10.829 -13.766 -0.786 1.00 0.00 C ATOM 140 C PRO A 13 -9.662 -13.832 0.202 1.00 0.00 C ATOM 141 O PRO A 13 -9.252 -12.812 0.754 1.00 0.00 O ATOM 142 CB PRO A 13 -10.484 -14.335 -2.152 1.00 0.00 C ATOM 143 CG PRO A 13 -10.245 -13.136 -3.055 1.00 0.00 C ATOM 144 CD PRO A 13 -10.780 -11.904 -2.344 1.00 0.00 C ATOM 0 HA PRO A 13 -11.622 -14.348 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.597 -14.967 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.295 -14.955 -2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.182 -13.023 -3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.748 -13.273 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.010 -11.139 -2.244 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.605 -11.455 -2.897 1.00 0.00 H new ATOM 152 N ALA A 14 -9.160 -15.043 0.395 1.00 0.00 N ATOM 153 CA ALA A 14 -8.049 -15.256 1.306 1.00 0.00 C ATOM 154 C ALA A 14 -6.777 -15.526 0.499 1.00 0.00 C ATOM 155 O ALA A 14 -5.732 -15.838 1.067 1.00 0.00 O ATOM 156 CB ALA A 14 -8.385 -16.402 2.263 1.00 0.00 C ATOM 0 H ALA A 14 -9.503 -15.887 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.874 -14.366 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.551 -16.562 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.279 -16.149 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.565 -17.312 1.691 1.00 0.00 H new ATOM 162 N ASP A 15 -6.909 -15.395 -0.813 1.00 0.00 N ATOM 163 CA ASP A 15 -5.783 -15.621 -1.704 1.00 0.00 C ATOM 164 C ASP A 15 -5.280 -14.276 -2.233 1.00 0.00 C ATOM 165 O ASP A 15 -4.126 -14.159 -2.643 1.00 0.00 O ATOM 166 CB ASP A 15 -6.193 -16.477 -2.903 1.00 0.00 C ATOM 167 CG ASP A 15 -5.111 -17.428 -3.419 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.992 -18.525 -2.831 1.00 0.00 O ATOM 169 OD2 ASP A 15 -4.428 -17.037 -4.390 1.00 0.00 O ATOM 0 H ASP A 15 -7.778 -15.135 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.006 -16.138 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.070 -17.063 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.493 -15.816 -3.716 1.00 0.00 H new ATOM 174 N MET A 16 -6.171 -13.295 -2.207 1.00 0.00 N ATOM 175 CA MET A 16 -5.831 -11.964 -2.679 1.00 0.00 C ATOM 176 C MET A 16 -5.681 -10.989 -1.509 1.00 0.00 C ATOM 177 O MET A 16 -6.041 -11.311 -0.378 1.00 0.00 O ATOM 178 CB MET A 16 -6.925 -11.463 -3.624 1.00 0.00 C ATOM 179 CG MET A 16 -6.989 -12.318 -4.892 1.00 0.00 C ATOM 180 SD MET A 16 -7.337 -11.287 -6.306 1.00 0.00 S ATOM 181 CE MET A 16 -5.693 -10.697 -6.673 1.00 0.00 C ATOM 0 H MET A 16 -7.127 -13.396 -1.867 1.00 0.00 H new ATOM 0 HA MET A 16 -4.879 -12.018 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.889 -11.488 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.732 -10.424 -3.891 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.043 -12.840 -5.036 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.761 -13.080 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.625 -9.636 -6.433 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.966 -11.251 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.482 -10.843 -7.732 1.00 0.00 H new ATOM 191 N ILE A 17 -5.148 -9.817 -1.822 1.00 0.00 N ATOM 192 CA ILE A 17 -4.946 -8.793 -0.811 1.00 0.00 C ATOM 193 C ILE A 17 -5.605 -7.491 -1.271 1.00 0.00 C ATOM 194 O ILE A 17 -5.286 -6.973 -2.340 1.00 0.00 O ATOM 195 CB ILE A 17 -3.458 -8.648 -0.486 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.877 -9.967 0.026 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.221 -7.498 0.495 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.536 -10.273 -0.645 1.00 0.00 C ATOM 0 H ILE A 17 -4.850 -9.554 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.427 -9.080 0.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.930 -8.400 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.743 -9.914 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.579 -10.778 -0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.155 -7.416 0.709 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.575 -6.566 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.763 -7.692 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.145 -11.216 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.678 -10.349 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.829 -9.472 -0.427 1.00 0.00 H new ATOM 210 N ASN A 18 -6.513 -7.000 -0.440 1.00 0.00 N ATOM 211 CA ASN A 18 -7.220 -5.768 -0.748 1.00 0.00 C ATOM 212 C ASN A 18 -6.331 -4.573 -0.396 1.00 0.00 C ATOM 213 O ASN A 18 -5.953 -4.396 0.761 1.00 0.00 O ATOM 214 CB ASN A 18 -8.509 -5.655 0.068 1.00 0.00 C ATOM 215 CG ASN A 18 -9.471 -4.646 -0.564 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.201 -4.056 -1.597 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.605 -4.484 0.111 1.00 0.00 N ATOM 0 H ASN A 18 -6.775 -7.433 0.446 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.465 -5.776 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.990 -6.631 0.132 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.273 -5.349 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.313 -3.834 -0.230 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.767 -5.010 0.970 1.00 0.00 H new ATOM 224 N LEU A 19 -6.023 -3.785 -1.415 1.00 0.00 N ATOM 225 CA LEU A 19 -5.186 -2.612 -1.228 1.00 0.00 C ATOM 226 C LEU A 19 -6.024 -1.352 -1.452 1.00 0.00 C ATOM 227 O LEU A 19 -6.684 -1.216 -2.481 1.00 0.00 O ATOM 228 CB LEU A 19 -3.945 -2.692 -2.119 1.00 0.00 C ATOM 229 CG LEU A 19 -2.777 -3.516 -1.571 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.042 -2.756 -0.465 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.250 -4.894 -1.103 1.00 0.00 C ATOM 0 H LEU A 19 -6.338 -3.936 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.813 -2.569 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.239 -3.111 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.592 -1.678 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.064 -3.678 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.217 -3.363 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.652 -1.820 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.733 -2.543 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.401 -5.459 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.994 -4.775 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.693 -5.431 -1.942 1.00 0.00 H new ATOM 243 N ARG A 20 -5.970 -0.462 -0.472 1.00 0.00 N ATOM 244 CA ARG A 20 -6.716 0.782 -0.550 1.00 0.00 C ATOM 245 C ARG A 20 -5.830 1.898 -1.108 1.00 0.00 C ATOM 246 O ARG A 20 -4.923 2.375 -0.427 1.00 0.00 O ATOM 247 CB ARG A 20 -7.239 1.197 0.827 1.00 0.00 C ATOM 248 CG ARG A 20 -8.497 2.058 0.698 1.00 0.00 C ATOM 249 CD ARG A 20 -9.240 2.147 2.033 1.00 0.00 C ATOM 250 NE ARG A 20 -10.630 1.666 1.872 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.526 1.612 2.866 1.00 0.00 C ATOM 252 NH1 ARG A 20 -11.184 2.009 4.100 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.766 1.162 2.628 1.00 0.00 N ATOM 0 H ARG A 20 -5.421 -0.578 0.380 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.564 0.619 -1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.461 0.309 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.467 1.751 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.224 3.058 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.155 1.635 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.725 1.550 2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.242 3.177 2.389 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.924 1.356 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.241 2.352 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.867 1.968 4.857 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.028 0.860 1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.448 1.121 3.385 1.00 0.00 H new ATOM 267 N LEU A 21 -6.123 2.281 -2.342 1.00 0.00 N ATOM 268 CA LEU A 21 -5.365 3.332 -3.000 1.00 0.00 C ATOM 269 C LEU A 21 -5.971 4.691 -2.644 1.00 0.00 C ATOM 270 O LEU A 21 -7.097 4.993 -3.034 1.00 0.00 O ATOM 271 CB LEU A 21 -5.281 3.070 -4.505 1.00 0.00 C ATOM 272 CG LEU A 21 -4.330 1.952 -4.939 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.875 2.420 -4.889 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.555 0.688 -4.108 1.00 0.00 C ATOM 0 H LEU A 21 -6.875 1.882 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.335 3.339 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.280 2.831 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.974 3.993 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.551 1.699 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.220 1.607 -5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.743 3.270 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.623 2.717 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.867 -0.091 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.378 0.908 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.581 0.344 -4.239 1.00 0.00 H new ATOM 286 N ILE A 22 -5.196 5.474 -1.908 1.00 0.00 N ATOM 287 CA ILE A 22 -5.642 6.794 -1.496 1.00 0.00 C ATOM 288 C ILE A 22 -4.846 7.857 -2.256 1.00 0.00 C ATOM 289 O ILE A 22 -3.636 7.981 -2.072 1.00 0.00 O ATOM 290 CB ILE A 22 -5.562 6.936 0.025 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.181 5.723 0.722 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.197 8.249 0.487 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.687 5.609 2.166 1.00 0.00 C ATOM 0 H ILE A 22 -4.262 5.220 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.692 6.938 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.511 6.969 0.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.268 5.808 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.927 4.815 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.127 8.325 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.672 9.088 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.245 8.271 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.142 4.739 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.603 5.500 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.964 6.508 2.717 1.00 0.00 H new ATOM 416 N GLU A 30 -10.335 0.773 -3.476 1.00 0.00 N ATOM 417 CA GLU A 30 -9.795 -0.511 -3.063 1.00 0.00 C ATOM 418 C GLU A 30 -9.519 -1.389 -4.286 1.00 0.00 C ATOM 419 O GLU A 30 -10.341 -1.464 -5.198 1.00 0.00 O ATOM 420 CB GLU A 30 -10.737 -1.214 -2.085 1.00 0.00 C ATOM 421 CG GLU A 30 -12.174 -1.215 -2.612 1.00 0.00 C ATOM 422 CD GLU A 30 -12.827 -2.586 -2.422 1.00 0.00 C ATOM 423 OE1 GLU A 30 -12.561 -3.464 -3.272 1.00 0.00 O ATOM 424 OE2 GLU A 30 -13.577 -2.725 -1.432 1.00 0.00 O ATOM 0 HA GLU A 30 -8.852 -0.336 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.403 -2.240 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.701 -0.714 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.757 -0.455 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.178 -0.950 -3.669 1.00 0.00 H new ATOM 431 N PHE A 31 -8.360 -2.030 -4.265 1.00 0.00 N ATOM 432 CA PHE A 31 -7.966 -2.900 -5.360 1.00 0.00 C ATOM 433 C PHE A 31 -7.628 -4.303 -4.852 1.00 0.00 C ATOM 434 O PHE A 31 -7.727 -4.575 -3.657 1.00 0.00 O ATOM 435 CB PHE A 31 -6.716 -2.284 -5.993 1.00 0.00 C ATOM 436 CG PHE A 31 -7.007 -1.114 -6.934 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.246 -1.345 -8.253 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.028 0.158 -6.452 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.516 -0.259 -9.127 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.298 1.244 -7.326 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.536 1.013 -8.645 1.00 0.00 C ATOM 0 H PHE A 31 -7.681 -1.964 -3.507 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.783 -2.990 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.051 -1.942 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.182 -3.057 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.230 -2.355 -8.636 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.839 0.342 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.705 -0.443 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.314 2.254 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.741 1.839 -9.310 1.00 0.00 H new ATOM 451 N LEU A 32 -7.235 -5.156 -5.786 1.00 0.00 N ATOM 452 CA LEU A 32 -6.881 -6.525 -5.448 1.00 0.00 C ATOM 453 C LEU A 32 -5.510 -6.854 -6.042 1.00 0.00 C ATOM 454 O LEU A 32 -5.221 -6.495 -7.182 1.00 0.00 O ATOM 455 CB LEU A 32 -7.987 -7.487 -5.885 1.00 0.00 C ATOM 456 CG LEU A 32 -9.176 -7.619 -4.931 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.500 -7.605 -5.699 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.038 -8.863 -4.050 1.00 0.00 C ATOM 0 H LEU A 32 -7.154 -4.926 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.797 -6.641 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.360 -7.163 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.548 -8.475 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.179 -6.754 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.329 -7.700 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.594 -6.667 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.522 -8.438 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.896 -8.933 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.995 -9.752 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.124 -8.792 -3.461 1.00 0.00 H new ATOM 470 N PHE A 33 -4.702 -7.534 -5.242 1.00 0.00 N ATOM 471 CA PHE A 33 -3.369 -7.916 -5.674 1.00 0.00 C ATOM 472 C PHE A 33 -2.998 -9.304 -5.148 1.00 0.00 C ATOM 473 O PHE A 33 -3.737 -9.890 -4.357 1.00 0.00 O ATOM 474 CB PHE A 33 -2.398 -6.887 -5.090 1.00 0.00 C ATOM 475 CG PHE A 33 -2.571 -5.477 -5.657 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.358 -5.244 -6.980 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.938 -4.455 -4.838 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.519 -3.935 -7.506 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.099 -3.146 -5.363 1.00 0.00 C ATOM 480 CZ PHE A 33 -2.886 -2.914 -6.686 1.00 0.00 C ATOM 0 H PHE A 33 -4.945 -7.830 -4.297 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.325 -7.946 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.530 -6.851 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.377 -7.220 -5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.066 -6.055 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.107 -4.640 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.350 -3.750 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.390 -2.335 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.008 -1.918 -7.086 1.00 0.00 H new ATOM 490 N SER A 34 -1.855 -9.791 -5.608 1.00 0.00 N ATOM 491 CA SER A 34 -1.378 -11.100 -5.194 1.00 0.00 C ATOM 492 C SER A 34 -0.114 -10.951 -4.345 1.00 0.00 C ATOM 493 O SER A 34 0.549 -9.916 -4.388 1.00 0.00 O ATOM 494 CB SER A 34 -1.102 -11.993 -6.405 1.00 0.00 C ATOM 495 OG SER A 34 0.103 -12.739 -6.255 1.00 0.00 O ATOM 0 H SER A 34 -1.245 -9.303 -6.264 1.00 0.00 H new ATOM 0 HA SER A 34 -2.156 -11.575 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.937 -12.679 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.038 -11.377 -7.302 1.00 0.00 H new ATOM 0 HG SER A 34 0.243 -13.298 -7.048 1.00 0.00 H new ATOM 501 N PRO A 35 0.188 -12.029 -3.572 1.00 0.00 N ATOM 502 CA PRO A 35 1.361 -12.028 -2.714 1.00 0.00 C ATOM 503 C PRO A 35 2.640 -12.213 -3.533 1.00 0.00 C ATOM 504 O PRO A 35 3.743 -12.134 -2.994 1.00 0.00 O ATOM 505 CB PRO A 35 1.123 -13.155 -1.722 1.00 0.00 C ATOM 506 CG PRO A 35 0.055 -14.039 -2.345 1.00 0.00 C ATOM 507 CD PRO A 35 -0.574 -13.271 -3.495 1.00 0.00 C ATOM 0 HA PRO A 35 1.501 -11.080 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.039 -13.717 -1.542 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.794 -12.765 -0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.492 -14.971 -2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.700 -14.304 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.511 -13.832 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.631 -13.077 -3.310 1.00 0.00 H new ATOM 515 N ASN A 36 2.450 -12.454 -4.822 1.00 0.00 N ATOM 516 CA ASN A 36 3.574 -12.651 -5.720 1.00 0.00 C ATOM 517 C ASN A 36 3.838 -11.355 -6.491 1.00 0.00 C ATOM 518 O ASN A 36 4.895 -11.196 -7.100 1.00 0.00 O ATOM 519 CB ASN A 36 3.280 -13.755 -6.738 1.00 0.00 C ATOM 520 CG ASN A 36 2.722 -15.001 -6.049 1.00 0.00 C ATOM 521 OD1 ASN A 36 3.222 -15.457 -5.034 1.00 0.00 O ATOM 522 ND2 ASN A 36 1.660 -15.525 -6.655 1.00 0.00 N ATOM 0 H ASN A 36 1.534 -12.517 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 36 4.439 -12.935 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.565 -13.393 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.193 -14.011 -7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.214 -16.359 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.292 -15.093 -7.502 1.00 0.00 H new ATOM 529 N ASP A 37 2.859 -10.464 -6.439 1.00 0.00 N ATOM 530 CA ASP A 37 2.973 -9.188 -7.124 1.00 0.00 C ATOM 531 C ASP A 37 3.936 -8.283 -6.353 1.00 0.00 C ATOM 532 O ASP A 37 4.232 -8.537 -5.187 1.00 0.00 O ATOM 533 CB ASP A 37 1.618 -8.481 -7.200 1.00 0.00 C ATOM 534 CG ASP A 37 0.676 -9.003 -8.286 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.203 -9.463 -9.322 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.551 -8.930 -8.057 1.00 0.00 O ATOM 0 H ASP A 37 1.984 -10.600 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 37 3.338 -9.379 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.122 -8.575 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.789 -7.418 -7.369 1.00 0.00 H new ATOM 541 N SER A 38 4.397 -7.245 -7.035 1.00 0.00 N ATOM 542 CA SER A 38 5.320 -6.301 -6.429 1.00 0.00 C ATOM 543 C SER A 38 4.702 -4.902 -6.412 1.00 0.00 C ATOM 544 O SER A 38 3.703 -4.653 -7.084 1.00 0.00 O ATOM 545 CB SER A 38 6.657 -6.282 -7.173 1.00 0.00 C ATOM 546 OG SER A 38 6.545 -5.669 -8.455 1.00 0.00 O ATOM 0 H SER A 38 4.148 -7.037 -8.002 1.00 0.00 H new ATOM 0 HA SER A 38 5.510 -6.619 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.396 -5.745 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.022 -7.303 -7.290 1.00 0.00 H new ATOM 0 HG SER A 38 7.419 -5.675 -8.898 1.00 0.00 H new ATOM 552 N ALA A 39 5.322 -4.025 -5.635 1.00 0.00 N ATOM 553 CA ALA A 39 4.844 -2.658 -5.521 1.00 0.00 C ATOM 554 C ALA A 39 4.657 -2.070 -6.921 1.00 0.00 C ATOM 555 O ALA A 39 3.633 -1.450 -7.206 1.00 0.00 O ATOM 556 CB ALA A 39 5.824 -1.844 -4.674 1.00 0.00 C ATOM 0 H ALA A 39 6.151 -4.235 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 39 3.877 -2.630 -5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.466 -0.818 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.900 -2.286 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.805 -1.847 -5.149 1.00 0.00 H new ATOM 562 N SER A 40 5.661 -2.284 -7.758 1.00 0.00 N ATOM 563 CA SER A 40 5.620 -1.783 -9.121 1.00 0.00 C ATOM 564 C SER A 40 4.277 -2.131 -9.766 1.00 0.00 C ATOM 565 O SER A 40 3.565 -1.247 -10.242 1.00 0.00 O ATOM 566 CB SER A 40 6.771 -2.353 -9.953 1.00 0.00 C ATOM 567 OG SER A 40 6.898 -1.695 -11.211 1.00 0.00 O ATOM 0 H SER A 40 6.509 -2.798 -7.518 1.00 0.00 H new ATOM 0 HA SER A 40 5.732 -0.699 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.703 -2.255 -9.397 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.608 -3.418 -10.116 1.00 0.00 H new ATOM 0 HG SER A 40 7.644 -2.086 -11.711 1.00 0.00 H new ATOM 573 N ASP A 41 3.970 -3.420 -9.760 1.00 0.00 N ATOM 574 CA ASP A 41 2.725 -3.895 -10.339 1.00 0.00 C ATOM 575 C ASP A 41 1.558 -3.094 -9.756 1.00 0.00 C ATOM 576 O ASP A 41 0.686 -2.636 -10.492 1.00 0.00 O ATOM 577 CB ASP A 41 2.494 -5.372 -10.012 1.00 0.00 C ATOM 578 CG ASP A 41 1.514 -6.094 -10.940 1.00 0.00 C ATOM 579 OD1 ASP A 41 0.311 -5.762 -10.863 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.990 -6.961 -11.704 1.00 0.00 O ATOM 0 H ASP A 41 4.562 -4.150 -9.363 1.00 0.00 H new ATOM 0 HA ASP A 41 2.786 -3.770 -11.420 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.452 -5.890 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.126 -5.449 -8.989 1.00 0.00 H new ATOM 585 N ILE A 42 1.580 -2.951 -8.439 1.00 0.00 N ATOM 586 CA ILE A 42 0.536 -2.213 -7.749 1.00 0.00 C ATOM 587 C ILE A 42 0.416 -0.816 -8.359 1.00 0.00 C ATOM 588 O ILE A 42 -0.552 -0.521 -9.059 1.00 0.00 O ATOM 589 CB ILE A 42 0.792 -2.206 -6.241 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.794 -3.629 -5.678 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.212 -1.306 -5.518 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.248 -3.640 -4.217 1.00 0.00 C ATOM 0 H ILE A 42 2.304 -3.334 -7.832 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.428 -2.703 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 42 1.784 -1.789 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.206 -4.056 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.456 -4.258 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.007 -1.319 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.122 -0.286 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.223 -1.670 -5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.240 -4.663 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.258 -3.235 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.570 -3.029 -3.621 1.00 0.00 H new ATOM 604 N ALA A 43 1.413 0.008 -8.072 1.00 0.00 N ATOM 605 CA ALA A 43 1.432 1.368 -8.584 1.00 0.00 C ATOM 606 C ALA A 43 1.026 1.359 -10.059 1.00 0.00 C ATOM 607 O ALA A 43 0.035 1.981 -10.438 1.00 0.00 O ATOM 608 CB ALA A 43 2.818 1.977 -8.364 1.00 0.00 C ATOM 0 H ALA A 43 2.214 -0.240 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 43 0.714 1.990 -8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.832 2.997 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.046 1.987 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.565 1.381 -8.889 1.00 0.00 H new ATOM 614 N LYS A 44 1.812 0.646 -10.852 1.00 0.00 N ATOM 615 CA LYS A 44 1.547 0.547 -12.277 1.00 0.00 C ATOM 616 C LYS A 44 0.062 0.252 -12.496 1.00 0.00 C ATOM 617 O LYS A 44 -0.665 1.081 -13.042 1.00 0.00 O ATOM 618 CB LYS A 44 2.480 -0.478 -12.926 1.00 0.00 C ATOM 619 CG LYS A 44 3.868 0.119 -13.167 1.00 0.00 C ATOM 620 CD LYS A 44 3.864 1.037 -14.391 1.00 0.00 C ATOM 621 CE LYS A 44 4.344 2.443 -14.024 1.00 0.00 C ATOM 622 NZ LYS A 44 3.217 3.401 -14.060 1.00 0.00 N ATOM 0 H LYS A 44 2.633 0.131 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 44 1.760 1.495 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.564 -1.356 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.055 -0.814 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.184 0.680 -12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.593 -0.682 -13.311 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.508 0.620 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.858 1.089 -14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.789 2.434 -13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.122 2.761 -14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.582 4.360 -14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.562 3.137 -14.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.715 3.380 -13.150 1.00 0.00 H new ATOM 636 N HIS A 45 -0.345 -0.930 -12.058 1.00 0.00 N ATOM 637 CA HIS A 45 -1.730 -1.344 -12.199 1.00 0.00 C ATOM 638 C HIS A 45 -2.653 -0.158 -11.912 1.00 0.00 C ATOM 639 O HIS A 45 -3.338 0.332 -12.809 1.00 0.00 O ATOM 640 CB HIS A 45 -2.029 -2.555 -11.312 1.00 0.00 C ATOM 641 CG HIS A 45 -3.500 -2.862 -11.167 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.208 -3.597 -12.101 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.387 -2.527 -10.187 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.465 -3.693 -11.692 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.574 -3.029 -10.506 1.00 0.00 N ATOM 0 H HIS A 45 0.261 -1.614 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.914 -1.663 -13.225 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.525 -3.429 -11.726 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.605 -2.381 -10.323 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.827 -3.997 -12.959 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.162 -1.951 -9.302 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.263 -4.207 -12.208 1.00 0.00 H new ATOM 997 N LEU A 67 5.706 3.948 -3.087 1.00 0.00 N ATOM 998 CA LEU A 67 4.416 3.693 -2.469 1.00 0.00 C ATOM 999 C LEU A 67 4.551 3.815 -0.950 1.00 0.00 C ATOM 1000 O LEU A 67 5.449 3.222 -0.353 1.00 0.00 O ATOM 1001 CB LEU A 67 3.858 2.345 -2.930 1.00 0.00 C ATOM 1002 CG LEU A 67 3.269 1.452 -1.836 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.931 2.003 -1.340 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.152 0.004 -2.314 1.00 0.00 C ATOM 0 HA LEU A 67 3.687 4.439 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.085 2.530 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.656 1.796 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 67 3.953 1.456 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.534 1.350 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.078 3.003 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.226 2.049 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.731 -0.609 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.502 -0.039 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.140 -0.373 -2.578 1.00 0.00 H new ATOM 1016 N ILE A 68 3.645 4.586 -0.367 1.00 0.00 N ATOM 1017 CA ILE A 68 3.652 4.793 1.071 1.00 0.00 C ATOM 1018 C ILE A 68 2.696 3.797 1.730 1.00 0.00 C ATOM 1019 O ILE A 68 1.588 3.579 1.242 1.00 0.00 O ATOM 1020 CB ILE A 68 3.343 6.254 1.404 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.503 7.166 0.998 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.977 6.415 2.881 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.184 7.917 -0.296 1.00 0.00 C ATOM 0 H ILE A 68 2.901 5.075 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 68 4.645 4.600 1.478 1.00 0.00 H new ATOM 0 HB ILE A 68 2.474 6.560 0.822 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.705 7.880 1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.407 6.572 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.762 7.463 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.097 5.812 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.811 6.085 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.025 8.558 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.006 7.201 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.293 8.529 -0.152 1.00 0.00 H new ATOM 1035 N TYR A 69 3.158 3.219 2.829 1.00 0.00 N ATOM 1036 CA TYR A 69 2.357 2.251 3.559 1.00 0.00 C ATOM 1037 C TYR A 69 2.410 2.521 5.065 1.00 0.00 C ATOM 1038 O TYR A 69 3.428 2.272 5.708 1.00 0.00 O ATOM 1039 CB TYR A 69 2.985 0.885 3.276 1.00 0.00 C ATOM 1040 CG TYR A 69 2.351 -0.266 4.060 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.984 -0.299 4.252 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.145 -1.269 4.575 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.388 -1.382 4.990 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.548 -2.352 5.313 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.199 -2.355 5.484 1.00 0.00 C ATOM 1046 OH TYR A 69 0.636 -3.378 6.181 1.00 0.00 O ATOM 0 H TYR A 69 4.077 3.402 3.232 1.00 0.00 H new ATOM 0 HA TYR A 69 1.313 2.304 3.249 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.904 0.673 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.048 0.929 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.362 0.487 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.214 -1.242 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.680 -1.421 5.148 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.158 -3.144 5.721 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.272 -3.539 5.850 1.00 0.00 H new ATOM 1056 N GLN A 70 1.300 3.027 5.582 1.00 0.00 N ATOM 1057 CA GLN A 70 1.207 3.333 6.999 1.00 0.00 C ATOM 1058 C GLN A 70 2.215 4.421 7.375 1.00 0.00 C ATOM 1059 O GLN A 70 2.782 4.397 8.466 1.00 0.00 O ATOM 1060 CB GLN A 70 1.417 2.076 7.847 1.00 0.00 C ATOM 1061 CG GLN A 70 0.094 1.342 8.075 1.00 0.00 C ATOM 1062 CD GLN A 70 -0.184 1.165 9.569 1.00 0.00 C ATOM 1063 OE1 GLN A 70 -0.638 2.067 10.253 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.112 -0.045 10.035 1.00 0.00 N ATOM 0 H GLN A 70 0.458 3.233 5.045 1.00 0.00 H new ATOM 0 HA GLN A 70 0.204 3.707 7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.125 1.412 7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.856 2.349 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.720 1.901 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.127 0.367 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.489 -0.755 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.039 -0.263 11.020 1.00 0.00 H new ATOM 1073 N GLY A 71 2.407 5.350 6.449 1.00 0.00 N ATOM 1074 CA GLY A 71 3.336 6.445 6.669 1.00 0.00 C ATOM 1075 C GLY A 71 4.707 6.129 6.069 1.00 0.00 C ATOM 1076 O GLY A 71 5.373 7.015 5.534 1.00 0.00 O ATOM 0 H GLY A 71 1.935 5.366 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.941 7.357 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.437 6.632 7.738 1.00 0.00 H new ATOM 1080 N ARG A 72 5.088 4.865 6.176 1.00 0.00 N ATOM 1081 CA ARG A 72 6.368 4.422 5.650 1.00 0.00 C ATOM 1082 C ARG A 72 6.280 4.226 4.136 1.00 0.00 C ATOM 1083 O ARG A 72 5.222 4.424 3.541 1.00 0.00 O ATOM 1084 CB ARG A 72 6.807 3.110 6.303 1.00 0.00 C ATOM 1085 CG ARG A 72 7.520 3.370 7.632 1.00 0.00 C ATOM 1086 CD ARG A 72 7.896 2.055 8.319 1.00 0.00 C ATOM 1087 NE ARG A 72 8.687 2.331 9.539 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.035 1.397 10.435 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.665 0.122 10.252 1.00 0.00 N ATOM 1090 NH2 ARG A 72 9.754 1.738 11.513 1.00 0.00 N ATOM 0 H ARG A 72 4.533 4.133 6.619 1.00 0.00 H new ATOM 0 HA ARG A 72 7.105 5.192 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.937 2.475 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.472 2.569 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.418 3.963 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.874 3.955 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.995 1.499 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.471 1.430 7.636 1.00 0.00 H new ATOM 0 HE ARG A 72 8.986 3.291 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.119 -0.138 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.930 -0.589 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.036 2.708 11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.019 1.027 12.195 1.00 0.00 H new ATOM 1104 N PHE A 73 7.406 3.838 3.555 1.00 0.00 N ATOM 1105 CA PHE A 73 7.470 3.613 2.121 1.00 0.00 C ATOM 1106 C PHE A 73 7.861 2.167 1.810 1.00 0.00 C ATOM 1107 O PHE A 73 8.610 1.547 2.563 1.00 0.00 O ATOM 1108 CB PHE A 73 8.546 4.549 1.568 1.00 0.00 C ATOM 1109 CG PHE A 73 8.171 6.032 1.629 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.203 6.693 2.817 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.807 6.688 0.495 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.856 8.069 2.874 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.459 8.064 0.552 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.491 8.725 1.740 1.00 0.00 C ATOM 0 H PHE A 73 8.282 3.674 4.052 1.00 0.00 H new ATOM 0 HA PHE A 73 6.495 3.803 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.469 4.395 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.751 4.279 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.492 6.171 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.782 6.163 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.882 8.594 3.817 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.169 8.585 -0.348 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.226 9.771 1.783 1.00 0.00 H new ATOM 1124 N LEU A 74 7.335 1.671 0.699 1.00 0.00 N ATOM 1125 CA LEU A 74 7.620 0.310 0.279 1.00 0.00 C ATOM 1126 C LEU A 74 8.527 0.339 -0.953 1.00 0.00 C ATOM 1127 O LEU A 74 8.441 1.255 -1.770 1.00 0.00 O ATOM 1128 CB LEU A 74 6.320 -0.469 0.067 1.00 0.00 C ATOM 1129 CG LEU A 74 5.501 -0.763 1.325 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.232 -1.545 0.983 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.350 -1.480 2.376 1.00 0.00 C ATOM 0 H LEU A 74 6.713 2.188 0.077 1.00 0.00 H new ATOM 0 HA LEU A 74 8.161 -0.224 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.694 0.091 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.562 -1.416 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 74 5.187 0.187 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.668 -1.741 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.619 -0.962 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.503 -2.491 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.744 -1.677 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.714 -2.423 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.197 -0.851 2.650 1.00 0.00 H new ATOM 1143 N HIS A 75 9.376 -0.673 -1.047 1.00 0.00 N ATOM 1144 CA HIS A 75 10.299 -0.774 -2.166 1.00 0.00 C ATOM 1145 C HIS A 75 9.538 -1.209 -3.420 1.00 0.00 C ATOM 1146 O HIS A 75 8.433 -1.742 -3.327 1.00 0.00 O ATOM 1147 CB HIS A 75 11.464 -1.706 -1.826 1.00 0.00 C ATOM 1148 CG HIS A 75 12.816 -1.171 -2.231 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.489 -1.607 -3.359 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.614 -0.230 -1.648 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.638 -0.953 -3.441 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.714 -0.101 -2.379 1.00 0.00 N ATOM 0 H HIS A 75 9.445 -1.430 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 75 10.738 0.202 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.465 -1.893 -0.752 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.303 -2.666 -2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.388 0.317 -0.745 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.383 -1.073 -4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.489 0.531 -2.179 1.00 0.00 H new ATOM 1160 N GLY A 76 10.160 -0.965 -4.564 1.00 0.00 N ATOM 1161 CA GLY A 76 9.556 -1.324 -5.836 1.00 0.00 C ATOM 1162 C GLY A 76 9.669 -2.828 -6.091 1.00 0.00 C ATOM 1163 O GLY A 76 8.846 -3.404 -6.801 1.00 0.00 O ATOM 0 H GLY A 76 11.076 -0.523 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.507 -1.028 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.045 -0.777 -6.642 1.00 0.00 H new ATOM 1167 N ASN A 77 10.695 -3.421 -5.499 1.00 0.00 N ATOM 1168 CA ASN A 77 10.927 -4.847 -5.653 1.00 0.00 C ATOM 1169 C ASN A 77 10.086 -5.610 -4.627 1.00 0.00 C ATOM 1170 O ASN A 77 9.725 -6.764 -4.851 1.00 0.00 O ATOM 1171 CB ASN A 77 12.397 -5.195 -5.413 1.00 0.00 C ATOM 1172 CG ASN A 77 13.005 -5.881 -6.638 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.644 -5.616 -7.773 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.947 -6.774 -6.346 1.00 0.00 N ATOM 0 H ASN A 77 11.376 -2.939 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 77 10.652 -5.125 -6.670 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.957 -4.288 -5.185 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.483 -5.849 -4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.415 -7.285 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.201 -6.948 -5.374 1.00 0.00 H new ATOM 1181 N VAL A 78 9.799 -4.934 -3.525 1.00 0.00 N ATOM 1182 CA VAL A 78 9.007 -5.534 -2.464 1.00 0.00 C ATOM 1183 C VAL A 78 7.761 -6.184 -3.068 1.00 0.00 C ATOM 1184 O VAL A 78 7.243 -5.717 -4.081 1.00 0.00 O ATOM 1185 CB VAL A 78 8.678 -4.485 -1.400 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.451 -4.898 -0.584 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.881 -4.230 -0.490 1.00 0.00 C ATOM 0 H VAL A 78 10.100 -3.977 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 78 9.573 -6.320 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 78 8.442 -3.552 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.239 -4.135 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.592 -5.005 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.647 -5.849 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.620 -3.480 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.163 -5.157 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.719 -3.870 -1.087 1.00 0.00 H new ATOM 1197 N THR A 79 7.317 -7.251 -2.422 1.00 0.00 N ATOM 1198 CA THR A 79 6.141 -7.970 -2.883 1.00 0.00 C ATOM 1199 C THR A 79 5.258 -8.363 -1.697 1.00 0.00 C ATOM 1200 O THR A 79 5.760 -8.790 -0.659 1.00 0.00 O ATOM 1201 CB THR A 79 6.614 -9.166 -3.712 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.735 -9.668 -2.990 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.197 -8.749 -5.063 1.00 0.00 C ATOM 0 H THR A 79 7.750 -7.636 -1.583 1.00 0.00 H new ATOM 0 HA THR A 79 5.516 -7.342 -3.519 1.00 0.00 H new ATOM 0 HB THR A 79 5.779 -9.848 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.103 -10.447 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.517 -9.636 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.438 -8.221 -5.640 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.053 -8.093 -4.903 1.00 0.00 H new ATOM 1211 N LEU A 80 3.957 -8.205 -1.892 1.00 0.00 N ATOM 1212 CA LEU A 80 2.998 -8.538 -0.852 1.00 0.00 C ATOM 1213 C LEU A 80 3.439 -9.825 -0.152 1.00 0.00 C ATOM 1214 O LEU A 80 3.268 -9.968 1.058 1.00 0.00 O ATOM 1215 CB LEU A 80 1.583 -8.606 -1.430 1.00 0.00 C ATOM 1216 CG LEU A 80 0.900 -7.262 -1.691 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.397 -7.450 -2.479 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.671 -6.500 -0.383 1.00 0.00 C ATOM 0 H LEU A 80 3.544 -7.851 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 80 2.970 -7.755 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.621 -9.160 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.959 -9.181 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 80 1.565 -6.655 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.862 -6.479 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.176 -7.921 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.079 -8.084 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.184 -5.548 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.037 -7.092 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.629 -6.316 0.104 1.00 0.00 H new ATOM 1230 N GLY A 81 3.997 -10.730 -0.943 1.00 0.00 N ATOM 1231 CA GLY A 81 4.463 -12.001 -0.414 1.00 0.00 C ATOM 1232 C GLY A 81 5.448 -11.787 0.737 1.00 0.00 C ATOM 1233 O GLY A 81 5.223 -12.265 1.848 1.00 0.00 O ATOM 0 H GLY A 81 4.137 -10.608 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.613 -12.588 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.943 -12.575 -1.207 1.00 0.00 H new ATOM 1237 N ALA A 82 6.519 -11.069 0.432 1.00 0.00 N ATOM 1238 CA ALA A 82 7.539 -10.786 1.427 1.00 0.00 C ATOM 1239 C ALA A 82 6.919 -9.985 2.573 1.00 0.00 C ATOM 1240 O ALA A 82 7.413 -10.022 3.699 1.00 0.00 O ATOM 1241 CB ALA A 82 8.707 -10.051 0.766 1.00 0.00 C ATOM 0 H ALA A 82 6.702 -10.675 -0.491 1.00 0.00 H new ATOM 0 HA ALA A 82 7.933 -11.711 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.472 -9.839 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.131 -10.675 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.351 -9.115 0.335 1.00 0.00 H new ATOM 1247 N LEU A 83 5.846 -9.279 2.247 1.00 0.00 N ATOM 1248 CA LEU A 83 5.153 -8.470 3.235 1.00 0.00 C ATOM 1249 C LEU A 83 4.280 -9.375 4.107 1.00 0.00 C ATOM 1250 O LEU A 83 3.658 -8.911 5.061 1.00 0.00 O ATOM 1251 CB LEU A 83 4.381 -7.339 2.555 1.00 0.00 C ATOM 1252 CG LEU A 83 5.228 -6.259 1.879 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.344 -5.174 1.262 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.254 -5.677 2.854 1.00 0.00 C ATOM 0 H LEU A 83 5.440 -9.251 1.312 1.00 0.00 H new ATOM 0 HA LEU A 83 5.868 -7.982 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.720 -7.776 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.746 -6.861 3.300 1.00 0.00 H new ATOM 0 HG LEU A 83 5.784 -6.722 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.972 -4.419 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.687 -5.621 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.742 -4.708 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.843 -4.912 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.737 -5.234 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.914 -6.471 3.204 1.00 0.00 H new ATOM 1266 N LYS A 84 4.260 -10.650 3.747 1.00 0.00 N ATOM 1267 CA LYS A 84 3.472 -11.623 4.484 1.00 0.00 C ATOM 1268 C LYS A 84 2.224 -10.941 5.048 1.00 0.00 C ATOM 1269 O LYS A 84 1.877 -11.139 6.211 1.00 0.00 O ATOM 1270 CB LYS A 84 4.330 -12.312 5.547 1.00 0.00 C ATOM 1271 CG LYS A 84 5.096 -11.285 6.384 1.00 0.00 C ATOM 1272 CD LYS A 84 4.193 -10.668 7.454 1.00 0.00 C ATOM 1273 CE LYS A 84 5.023 -10.039 8.575 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.154 -9.650 9.708 1.00 0.00 N ATOM 0 H LYS A 84 4.777 -11.032 2.955 1.00 0.00 H new ATOM 0 HA LYS A 84 3.129 -12.417 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.696 -12.915 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.033 -12.992 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.953 -11.763 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.487 -10.500 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.552 -9.911 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.537 -11.434 7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.780 -10.746 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.551 -9.164 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.733 -9.225 10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.448 -8.959 9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.669 -10.492 10.079 1.00 0.00 H new ATOM 1288 N LEU A 85 1.584 -10.153 4.197 1.00 0.00 N ATOM 1289 CA LEU A 85 0.382 -9.441 4.596 1.00 0.00 C ATOM 1290 C LEU A 85 -0.763 -10.440 4.770 1.00 0.00 C ATOM 1291 O LEU A 85 -0.786 -11.483 4.119 1.00 0.00 O ATOM 1292 CB LEU A 85 0.072 -8.316 3.607 1.00 0.00 C ATOM 1293 CG LEU A 85 0.115 -6.895 4.172 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.270 -6.733 5.162 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.175 -5.859 3.047 1.00 0.00 C ATOM 0 H LEU A 85 1.875 -9.992 3.233 1.00 0.00 H new ATOM 0 HA LEU A 85 0.530 -8.954 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.781 -8.379 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.920 -8.490 3.189 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.809 -6.719 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.278 -5.714 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.143 -7.433 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.214 -6.936 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.205 -4.857 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.071 -6.024 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.708 -5.957 2.415 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.711 -10.076 5.676 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.856 -10.929 5.944 1.00 0.00 C ATOM 1309 C PRO A 86 -3.872 -10.858 4.801 1.00 0.00 C ATOM 1310 O PRO A 86 -4.261 -9.770 4.379 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.416 -10.432 7.267 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.852 -9.034 7.459 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.716 -8.848 6.466 1.00 0.00 C ATOM 0 HA PRO A 86 -2.588 -11.983 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.506 -10.414 7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.122 -11.088 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.627 -8.285 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.492 -8.905 8.480 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.879 -7.973 5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.764 -8.701 6.976 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.271 -12.031 4.334 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.234 -12.116 3.248 1.00 0.00 C ATOM 1323 C PHE A 87 -6.639 -11.750 3.732 1.00 0.00 C ATOM 1324 O PHE A 87 -6.861 -11.574 4.929 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.236 -13.567 2.764 1.00 0.00 C ATOM 1326 CG PHE A 87 -3.897 -14.033 2.188 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.111 -13.159 1.503 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.493 -15.320 2.361 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -1.868 -13.591 0.968 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.250 -15.752 1.826 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.464 -14.878 1.141 1.00 0.00 C ATOM 0 H PHE A 87 -3.946 -12.931 4.687 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.960 -11.423 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.508 -14.216 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.008 -13.684 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.432 -12.137 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.117 -16.013 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.244 -12.898 0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.929 -16.774 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.519 -15.206 0.734 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.550 -11.647 2.776 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.928 -11.305 3.089 1.00 0.00 C ATOM 1343 C GLY A 88 -8.992 -10.138 4.076 1.00 0.00 C ATOM 1344 O GLY A 88 -9.840 -10.120 4.967 1.00 0.00 O ATOM 0 H GLY A 88 -7.362 -11.794 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.458 -11.041 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.435 -12.172 3.512 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.085 -9.191 3.884 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.028 -8.023 4.746 1.00 0.00 C ATOM 1350 C LYS A 89 -7.949 -6.762 3.883 1.00 0.00 C ATOM 1351 O LYS A 89 -7.925 -6.845 2.656 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.883 -8.154 5.751 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.306 -8.993 6.959 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.333 -8.146 8.232 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.735 -8.912 9.414 1.00 0.00 C ATOM 1356 NZ LYS A 89 -5.600 -8.162 9.996 1.00 0.00 N ATOM 0 H LYS A 89 -7.384 -9.209 3.144 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.937 -7.945 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.021 -8.615 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.571 -7.164 6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.293 -9.421 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.615 -9.827 7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.774 -7.224 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.360 -7.860 8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.499 -9.074 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.399 -9.895 9.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.206 -8.695 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.865 -8.029 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.931 -7.234 10.328 1.00 0.00 H new ATOM 1370 N THR A 90 -7.909 -5.623 4.559 1.00 0.00 N ATOM 1371 CA THR A 90 -7.833 -4.346 3.870 1.00 0.00 C ATOM 1372 C THR A 90 -6.622 -3.548 4.359 1.00 0.00 C ATOM 1373 O THR A 90 -6.489 -3.283 5.553 1.00 0.00 O ATOM 1374 CB THR A 90 -9.163 -3.618 4.075 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.105 -4.408 3.355 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.201 -2.259 3.372 1.00 0.00 C ATOM 0 H THR A 90 -7.928 -5.558 5.577 1.00 0.00 H new ATOM 0 HA THR A 90 -7.683 -4.483 2.799 1.00 0.00 H new ATOM 0 HB THR A 90 -9.341 -3.480 5.141 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.996 -4.009 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.166 -1.785 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.407 -1.624 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.057 -2.399 2.301 1.00 0.00 H new ATOM 1384 N THR A 91 -5.770 -3.188 3.411 1.00 0.00 N ATOM 1385 CA THR A 91 -4.574 -2.426 3.729 1.00 0.00 C ATOM 1386 C THR A 91 -4.728 -0.975 3.268 1.00 0.00 C ATOM 1387 O THR A 91 -5.453 -0.697 2.314 1.00 0.00 O ATOM 1388 CB THR A 91 -3.376 -3.140 3.100 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.048 -4.161 4.039 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.126 -2.259 3.055 1.00 0.00 C ATOM 0 H THR A 91 -5.884 -3.410 2.422 1.00 0.00 H new ATOM 0 HA THR A 91 -4.412 -2.377 4.806 1.00 0.00 H new ATOM 0 HB THR A 91 -3.633 -3.457 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.281 -4.675 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.306 -2.814 2.600 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.331 -1.366 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.849 -1.969 4.068 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.033 -0.089 3.966 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.083 1.326 3.640 1.00 0.00 C ATOM 1400 C VAL A 92 -2.722 1.769 3.101 1.00 0.00 C ATOM 1401 O VAL A 92 -1.697 1.563 3.749 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.532 2.129 4.863 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.440 3.633 4.595 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.948 1.734 5.289 1.00 0.00 C ATOM 0 H VAL A 92 -3.432 -0.324 4.756 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.819 1.512 2.858 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.857 1.893 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.765 4.181 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.409 3.899 4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.081 3.892 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.243 2.319 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.641 1.927 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.970 0.674 5.540 1.00 0.00 H new ATOM 1414 N MET A 93 -2.756 2.369 1.920 1.00 0.00 N ATOM 1415 CA MET A 93 -1.537 2.843 1.287 1.00 0.00 C ATOM 1416 C MET A 93 -1.803 4.104 0.461 1.00 0.00 C ATOM 1417 O MET A 93 -2.900 4.287 -0.064 1.00 0.00 O ATOM 1418 CB MET A 93 -0.974 1.748 0.379 1.00 0.00 C ATOM 1419 CG MET A 93 -0.240 0.683 1.196 1.00 0.00 C ATOM 1420 SD MET A 93 0.108 -0.738 0.173 1.00 0.00 S ATOM 1421 CE MET A 93 1.048 -1.726 1.325 1.00 0.00 C ATOM 0 H MET A 93 -3.608 2.538 1.385 1.00 0.00 H new ATOM 0 HA MET A 93 -0.816 3.087 2.067 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.784 1.285 -0.184 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.292 2.188 -0.348 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.689 1.093 1.592 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.847 0.386 2.051 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.423 -2.616 0.820 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.887 -1.143 1.704 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.408 -2.023 2.156 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.780 4.942 0.373 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.889 6.180 -0.379 1.00 0.00 C ATOM 1433 C HIS A 94 -0.057 6.078 -1.659 1.00 0.00 C ATOM 1434 O HIS A 94 0.816 5.219 -1.769 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.498 7.378 0.488 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.526 7.742 1.532 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.674 9.027 2.023 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.456 6.976 2.172 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.650 9.024 2.919 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.133 7.751 3.010 1.00 0.00 N ATOM 0 H HIS A 94 0.128 4.787 0.810 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.926 6.341 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.448 7.161 0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.329 8.240 -0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.614 5.918 2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.001 9.878 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.890 7.445 3.622 1.00 0.00 H new