USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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 18 ASN : amide:sc= -3.93! C(o=-3.9!,f=-5.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 16 MET CE :methyl 176:sc= -0.529 (180deg=-0.559) USER MOD Single : A 34 SER OG : rot -103:sc=-0.00699 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) 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+ 162:sc= -0.0056 (180deg=-0.212) USER MOD Single : A 45 HIS : no HD1:sc= -0.535 X(o=-0.54,f=-0.053) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.11) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 77 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.3) 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 160:sc= 0 USER MOD Single : A 93 MET CE :methyl -173:sc= -3.47 (180deg=-3.49) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.745 -9.566 -0.725 1.00 0.00 N ATOM 123 CA VAL A 12 -12.370 -9.937 -1.012 1.00 0.00 C ATOM 124 C VAL A 12 -12.138 -11.388 -0.585 1.00 0.00 C ATOM 125 O VAL A 12 -12.568 -11.798 0.492 1.00 0.00 O ATOM 126 CB VAL A 12 -11.411 -8.954 -0.336 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.954 -9.328 -0.619 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.703 -7.517 -0.771 1.00 0.00 C ATOM 0 HA VAL A 12 -12.174 -9.878 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.570 -9.017 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.293 -8.614 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.755 -10.329 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.775 -9.307 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.008 -6.839 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.585 -7.433 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.724 -7.254 -0.496 1.00 0.00 H new ATOM 138 N PRO A 13 -11.441 -12.144 -1.475 1.00 0.00 N ATOM 139 CA PRO A 13 -11.147 -13.541 -1.201 1.00 0.00 C ATOM 140 C PRO A 13 -10.032 -13.673 -0.162 1.00 0.00 C ATOM 141 O PRO A 13 -9.556 -12.673 0.374 1.00 0.00 O ATOM 142 CB PRO A 13 -10.777 -14.137 -2.549 1.00 0.00 C ATOM 143 CG PRO A 13 -10.426 -12.958 -3.443 1.00 0.00 C ATOM 144 CD PRO A 13 -10.917 -11.692 -2.760 1.00 0.00 C ATOM 0 HA PRO A 13 -11.994 -14.071 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.934 -14.821 -2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.607 -14.709 -2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.349 -12.910 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.893 -13.069 -4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.108 -10.974 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.688 -11.197 -3.350 1.00 0.00 H new ATOM 152 N ALA A 14 -9.646 -14.915 0.091 1.00 0.00 N ATOM 153 CA ALA A 14 -8.595 -15.191 1.056 1.00 0.00 C ATOM 154 C ALA A 14 -7.295 -15.501 0.312 1.00 0.00 C ATOM 155 O ALA A 14 -6.291 -15.852 0.930 1.00 0.00 O ATOM 156 CB ALA A 14 -9.031 -16.336 1.972 1.00 0.00 C ATOM 0 H ALA A 14 -10.042 -15.742 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.414 -14.321 1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.243 -16.543 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.942 -16.054 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.219 -17.228 1.375 1.00 0.00 H new ATOM 162 N ASP A 15 -7.355 -15.361 -1.004 1.00 0.00 N ATOM 163 CA ASP A 15 -6.195 -15.623 -1.838 1.00 0.00 C ATOM 164 C ASP A 15 -5.610 -14.294 -2.323 1.00 0.00 C ATOM 165 O ASP A 15 -4.432 -14.219 -2.668 1.00 0.00 O ATOM 166 CB ASP A 15 -6.576 -16.448 -3.069 1.00 0.00 C ATOM 167 CG ASP A 15 -5.568 -17.531 -3.459 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.593 -17.701 -2.694 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.794 -18.164 -4.513 1.00 0.00 O ATOM 0 H ASP A 15 -8.189 -15.069 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.470 -16.178 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.541 -16.920 -2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.706 -15.772 -3.914 1.00 0.00 H new ATOM 174 N MET A 16 -6.461 -13.279 -2.332 1.00 0.00 N ATOM 175 CA MET A 16 -6.044 -11.957 -2.769 1.00 0.00 C ATOM 176 C MET A 16 -5.879 -11.013 -1.576 1.00 0.00 C ATOM 177 O MET A 16 -6.328 -11.317 -0.472 1.00 0.00 O ATOM 178 CB MET A 16 -7.086 -11.385 -3.733 1.00 0.00 C ATOM 179 CG MET A 16 -7.113 -12.175 -5.042 1.00 0.00 C ATOM 180 SD MET A 16 -7.612 -11.112 -6.387 1.00 0.00 S ATOM 181 CE MET A 16 -6.020 -10.479 -6.888 1.00 0.00 C ATOM 0 H MET A 16 -7.437 -13.345 -2.044 1.00 0.00 H new ATOM 0 HA MET A 16 -5.082 -12.048 -3.273 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.071 -11.412 -3.267 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.860 -10.339 -3.940 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.127 -12.593 -5.245 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.803 -13.014 -4.956 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.140 -9.849 -7.769 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.591 -9.891 -6.077 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.356 -11.310 -7.124 1.00 0.00 H new ATOM 191 N ILE A 17 -5.234 -9.886 -1.839 1.00 0.00 N ATOM 192 CA ILE A 17 -5.004 -8.895 -0.801 1.00 0.00 C ATOM 193 C ILE A 17 -5.600 -7.556 -1.240 1.00 0.00 C ATOM 194 O ILE A 17 -5.164 -6.973 -2.231 1.00 0.00 O ATOM 195 CB ILE A 17 -3.516 -8.821 -0.452 1.00 0.00 C ATOM 196 CG1 ILE A 17 -3.005 -10.170 0.059 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.243 -7.691 0.543 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.577 -10.433 -0.423 1.00 0.00 C ATOM 0 H ILE A 17 -4.863 -9.637 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.510 -9.183 0.120 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.962 -8.591 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.033 -10.185 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.662 -10.967 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.178 -7.660 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.547 -6.740 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.808 -7.867 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.238 -11.398 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.557 -10.442 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.918 -9.647 -0.054 1.00 0.00 H new ATOM 210 N ASN A 18 -6.589 -7.108 -0.480 1.00 0.00 N ATOM 211 CA ASN A 18 -7.249 -5.848 -0.777 1.00 0.00 C ATOM 212 C ASN A 18 -6.350 -4.690 -0.341 1.00 0.00 C ATOM 213 O ASN A 18 -5.898 -4.647 0.803 1.00 0.00 O ATOM 214 CB ASN A 18 -8.574 -5.729 -0.021 1.00 0.00 C ATOM 215 CG ASN A 18 -9.650 -5.086 -0.899 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.635 -5.182 -2.115 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.583 -4.428 -0.216 1.00 0.00 N ATOM 0 H ASN A 18 -6.949 -7.595 0.341 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.441 -5.813 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.904 -6.717 0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.431 -5.133 0.880 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.346 -3.965 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.536 -4.387 0.802 1.00 0.00 H new ATOM 224 N LEU A 19 -6.117 -3.779 -1.274 1.00 0.00 N ATOM 225 CA LEU A 19 -5.279 -2.624 -1.000 1.00 0.00 C ATOM 226 C LEU A 19 -6.118 -1.351 -1.124 1.00 0.00 C ATOM 227 O LEU A 19 -6.974 -1.249 -2.002 1.00 0.00 O ATOM 228 CB LEU A 19 -4.041 -2.634 -1.899 1.00 0.00 C ATOM 229 CG LEU A 19 -2.856 -3.463 -1.400 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.006 -2.663 -0.410 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.328 -4.792 -0.806 1.00 0.00 C ATOM 0 H LEU A 19 -6.494 -3.817 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.902 -2.661 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.332 -3.008 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.707 -1.605 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.221 -3.699 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.170 -3.275 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.624 -1.767 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.617 -2.377 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.466 -5.362 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.997 -4.599 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.858 -5.363 -1.568 1.00 0.00 H new ATOM 243 N ARG A 20 -5.845 -0.411 -0.231 1.00 0.00 N ATOM 244 CA ARG A 20 -6.564 0.852 -0.229 1.00 0.00 C ATOM 245 C ARG A 20 -5.698 1.957 -0.838 1.00 0.00 C ATOM 246 O ARG A 20 -4.732 2.404 -0.222 1.00 0.00 O ATOM 247 CB ARG A 20 -6.967 1.254 1.191 1.00 0.00 C ATOM 248 CG ARG A 20 -8.281 2.038 1.187 1.00 0.00 C ATOM 249 CD ARG A 20 -8.897 2.083 2.587 1.00 0.00 C ATOM 250 NE ARG A 20 -10.368 1.958 2.497 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.190 1.971 3.555 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.688 2.102 4.791 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.513 1.851 3.378 1.00 0.00 N ATOM 0 H ARG A 20 -5.135 -0.499 0.497 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.466 0.721 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.073 0.362 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.179 1.860 1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.102 3.053 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.982 1.576 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.492 1.276 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.633 3.019 3.080 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.783 1.855 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.681 2.192 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.313 2.112 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.895 1.750 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.138 1.861 4.184 1.00 0.00 H new ATOM 267 N LEU A 21 -6.075 2.365 -2.041 1.00 0.00 N ATOM 268 CA LEU A 21 -5.346 3.409 -2.740 1.00 0.00 C ATOM 269 C LEU A 21 -5.953 4.769 -2.393 1.00 0.00 C ATOM 270 O LEU A 21 -7.063 5.085 -2.820 1.00 0.00 O ATOM 271 CB LEU A 21 -5.303 3.119 -4.242 1.00 0.00 C ATOM 272 CG LEU A 21 -4.383 1.977 -4.679 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.915 2.403 -4.620 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.648 0.714 -3.856 1.00 0.00 C ATOM 0 H LEU A 21 -6.876 1.991 -2.549 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.306 3.432 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.315 2.892 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.992 4.027 -4.758 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.606 1.736 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.282 1.573 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.756 3.253 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.659 2.687 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.981 -0.082 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.469 0.923 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.683 0.401 -3.993 1.00 0.00 H new ATOM 286 N ILE A 22 -5.199 5.539 -1.622 1.00 0.00 N ATOM 287 CA ILE A 22 -5.649 6.859 -1.213 1.00 0.00 C ATOM 288 C ILE A 22 -4.841 7.922 -1.959 1.00 0.00 C ATOM 289 O ILE A 22 -3.612 7.930 -1.897 1.00 0.00 O ATOM 290 CB ILE A 22 -5.590 6.997 0.309 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.447 5.928 0.991 1.00 0.00 C ATOM 292 CG2 ILE A 22 -5.981 8.410 0.747 1.00 0.00 C ATOM 293 CD1 ILE A 22 -6.085 5.796 2.471 1.00 0.00 C ATOM 0 H ILE A 22 -4.279 5.274 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.695 7.006 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.560 6.835 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.502 6.185 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.305 4.970 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.931 8.481 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.294 9.131 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.997 8.626 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.709 5.030 2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.036 5.515 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.252 6.749 2.973 1.00 0.00 H new ATOM 416 N GLU A 30 -10.753 0.430 -3.479 1.00 0.00 N ATOM 417 CA GLU A 30 -10.297 -0.895 -3.095 1.00 0.00 C ATOM 418 C GLU A 30 -9.811 -1.665 -4.325 1.00 0.00 C ATOM 419 O GLU A 30 -10.543 -1.806 -5.303 1.00 0.00 O ATOM 420 CB GLU A 30 -11.400 -1.665 -2.367 1.00 0.00 C ATOM 421 CG GLU A 30 -11.757 -0.989 -1.041 1.00 0.00 C ATOM 422 CD GLU A 30 -12.927 -1.702 -0.360 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.754 -2.273 -1.103 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.968 -1.659 0.888 1.00 0.00 O ATOM 0 HA GLU A 30 -9.461 -0.785 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.286 -1.724 -2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.073 -2.688 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.890 -0.994 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.016 0.055 -1.219 1.00 0.00 H new ATOM 431 N PHE A 31 -8.579 -2.144 -4.234 1.00 0.00 N ATOM 432 CA PHE A 31 -7.986 -2.896 -5.327 1.00 0.00 C ATOM 433 C PHE A 31 -7.639 -4.320 -4.888 1.00 0.00 C ATOM 434 O PHE A 31 -7.678 -4.634 -3.699 1.00 0.00 O ATOM 435 CB PHE A 31 -6.700 -2.170 -5.725 1.00 0.00 C ATOM 436 CG PHE A 31 -6.928 -0.928 -6.589 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.147 0.278 -6.002 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.911 -1.031 -7.945 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.358 1.431 -6.804 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.122 0.121 -8.747 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.341 1.328 -8.160 1.00 0.00 C ATOM 0 H PHE A 31 -7.975 -2.026 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.689 -2.961 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.165 -1.878 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.056 -2.863 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.161 0.360 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.737 -1.989 -8.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.532 2.389 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.109 0.039 -9.824 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.501 2.204 -8.770 1.00 0.00 H new ATOM 451 N LEU A 32 -7.308 -5.145 -5.871 1.00 0.00 N ATOM 452 CA LEU A 32 -6.955 -6.528 -5.600 1.00 0.00 C ATOM 453 C LEU A 32 -5.554 -6.808 -6.149 1.00 0.00 C ATOM 454 O LEU A 32 -5.231 -6.411 -7.267 1.00 0.00 O ATOM 455 CB LEU A 32 -8.029 -7.472 -6.145 1.00 0.00 C ATOM 456 CG LEU A 32 -9.322 -7.557 -5.331 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.529 -7.789 -6.242 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.214 -8.623 -4.240 1.00 0.00 C ATOM 0 H LEU A 32 -7.277 -4.882 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.920 -6.709 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.281 -7.158 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.602 -8.472 -6.218 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.475 -6.600 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.435 -7.846 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.615 -6.964 -6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.398 -8.723 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.146 -8.663 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.025 -9.594 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.394 -8.373 -3.567 1.00 0.00 H new ATOM 470 N PHE A 33 -4.761 -7.491 -5.337 1.00 0.00 N ATOM 471 CA PHE A 33 -3.403 -7.829 -5.727 1.00 0.00 C ATOM 472 C PHE A 33 -3.010 -9.212 -5.203 1.00 0.00 C ATOM 473 O PHE A 33 -3.713 -9.788 -4.374 1.00 0.00 O ATOM 474 CB PHE A 33 -2.483 -6.779 -5.101 1.00 0.00 C ATOM 475 CG PHE A 33 -2.711 -5.360 -5.625 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.527 -5.085 -6.944 1.00 0.00 C ATOM 477 CD2 PHE A 33 -3.097 -4.374 -4.772 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.739 -3.768 -7.431 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.309 -3.057 -5.258 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.125 -2.781 -6.577 1.00 0.00 C ATOM 0 H PHE A 33 -5.033 -7.820 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.321 -7.845 -6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.626 -6.784 -4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.447 -7.062 -5.287 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.220 -5.868 -7.621 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.242 -4.593 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.594 -3.550 -8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.616 -2.274 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.285 -1.779 -6.947 1.00 0.00 H new ATOM 490 N SER A 34 -1.888 -9.704 -5.708 1.00 0.00 N ATOM 491 CA SER A 34 -1.394 -11.009 -5.301 1.00 0.00 C ATOM 492 C SER A 34 -0.151 -10.846 -4.423 1.00 0.00 C ATOM 493 O SER A 34 0.489 -9.796 -4.435 1.00 0.00 O ATOM 494 CB SER A 34 -1.074 -11.881 -6.517 1.00 0.00 C ATOM 495 OG SER A 34 0.180 -12.543 -6.384 1.00 0.00 O ATOM 0 H SER A 34 -1.307 -9.223 -6.395 1.00 0.00 H new ATOM 0 HA SER A 34 -2.175 -11.507 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.863 -12.622 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.064 -11.262 -7.414 1.00 0.00 H new ATOM 0 HG SER A 34 0.851 -12.086 -6.933 1.00 0.00 H new ATOM 501 N PRO A 35 0.161 -11.930 -3.662 1.00 0.00 N ATOM 502 CA PRO A 35 1.316 -11.918 -2.780 1.00 0.00 C ATOM 503 C PRO A 35 2.615 -12.058 -3.576 1.00 0.00 C ATOM 504 O PRO A 35 3.704 -11.918 -3.022 1.00 0.00 O ATOM 505 CB PRO A 35 1.084 -13.067 -1.813 1.00 0.00 C ATOM 506 CG PRO A 35 0.050 -13.965 -2.473 1.00 0.00 C ATOM 507 CD PRO A 35 -0.574 -13.191 -3.623 1.00 0.00 C ATOM 0 HA PRO A 35 1.424 -10.977 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.009 -13.611 -1.623 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.726 -12.701 -0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.516 -14.880 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.713 -14.261 -1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.479 -13.734 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.638 -13.024 -3.457 1.00 0.00 H new ATOM 515 N ASN A 36 2.457 -12.334 -4.862 1.00 0.00 N ATOM 516 CA ASN A 36 3.604 -12.495 -5.739 1.00 0.00 C ATOM 517 C ASN A 36 3.818 -11.205 -6.534 1.00 0.00 C ATOM 518 O ASN A 36 4.836 -11.048 -7.206 1.00 0.00 O ATOM 519 CB ASN A 36 3.379 -13.633 -6.737 1.00 0.00 C ATOM 520 CG ASN A 36 3.347 -14.987 -6.025 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.351 -15.495 -5.554 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.139 -15.542 -5.973 1.00 0.00 N ATOM 0 H ASN A 36 1.552 -12.450 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 36 4.472 -12.724 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.441 -13.475 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.173 -13.629 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.012 -16.446 -5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.339 -15.063 -6.387 1.00 0.00 H new ATOM 529 N ASP A 37 2.841 -10.316 -6.432 1.00 0.00 N ATOM 530 CA ASP A 37 2.910 -9.045 -7.133 1.00 0.00 C ATOM 531 C ASP A 37 3.860 -8.106 -6.387 1.00 0.00 C ATOM 532 O ASP A 37 3.923 -8.129 -5.158 1.00 0.00 O ATOM 533 CB ASP A 37 1.535 -8.375 -7.194 1.00 0.00 C ATOM 534 CG ASP A 37 0.614 -8.891 -8.302 1.00 0.00 C ATOM 535 OD1 ASP A 37 1.148 -9.536 -9.230 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.603 -8.628 -8.195 1.00 0.00 O ATOM 0 H ASP A 37 1.997 -10.451 -5.875 1.00 0.00 H new ATOM 0 HA ASP A 37 3.264 -9.238 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.037 -8.513 -6.234 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.675 -7.303 -7.329 1.00 0.00 H new ATOM 541 N SER A 38 4.575 -7.303 -7.160 1.00 0.00 N ATOM 542 CA SER A 38 5.519 -6.358 -6.588 1.00 0.00 C ATOM 543 C SER A 38 4.893 -4.964 -6.529 1.00 0.00 C ATOM 544 O SER A 38 3.901 -4.696 -7.204 1.00 0.00 O ATOM 545 CB SER A 38 6.820 -6.323 -7.393 1.00 0.00 C ATOM 546 OG SER A 38 6.617 -5.825 -8.713 1.00 0.00 O ATOM 0 H SER A 38 4.520 -7.287 -8.178 1.00 0.00 H new ATOM 0 HA SER A 38 5.759 -6.684 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.549 -5.698 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.242 -7.327 -7.445 1.00 0.00 H new ATOM 0 HG SER A 38 7.471 -5.816 -9.194 1.00 0.00 H new ATOM 552 N ALA A 39 5.499 -4.112 -5.714 1.00 0.00 N ATOM 553 CA ALA A 39 5.013 -2.751 -5.558 1.00 0.00 C ATOM 554 C ALA A 39 4.793 -2.132 -6.939 1.00 0.00 C ATOM 555 O ALA A 39 3.696 -1.666 -7.247 1.00 0.00 O ATOM 556 CB ALA A 39 6.003 -1.950 -4.711 1.00 0.00 C ATOM 0 H ALA A 39 6.322 -4.338 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 39 4.056 -2.742 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.639 -0.929 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.102 -2.415 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.975 -1.934 -5.205 1.00 0.00 H new ATOM 562 N SER A 40 5.852 -2.146 -7.735 1.00 0.00 N ATOM 563 CA SER A 40 5.787 -1.591 -9.077 1.00 0.00 C ATOM 564 C SER A 40 4.490 -2.026 -9.761 1.00 0.00 C ATOM 565 O SER A 40 3.733 -1.191 -10.253 1.00 0.00 O ATOM 566 CB SER A 40 6.997 -2.022 -9.909 1.00 0.00 C ATOM 567 OG SER A 40 7.997 -1.008 -9.961 1.00 0.00 O ATOM 0 H SER A 40 6.760 -2.533 -7.477 1.00 0.00 H new ATOM 0 HA SER A 40 5.801 -0.504 -8.999 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.424 -2.931 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.673 -2.264 -10.921 1.00 0.00 H new ATOM 0 HG SER A 40 8.753 -1.322 -10.499 1.00 0.00 H new ATOM 573 N ASP A 41 4.273 -3.333 -9.771 1.00 0.00 N ATOM 574 CA ASP A 41 3.080 -3.889 -10.387 1.00 0.00 C ATOM 575 C ASP A 41 1.849 -3.144 -9.868 1.00 0.00 C ATOM 576 O ASP A 41 1.005 -2.711 -10.652 1.00 0.00 O ATOM 577 CB ASP A 41 2.919 -5.370 -10.037 1.00 0.00 C ATOM 578 CG ASP A 41 2.504 -6.269 -11.204 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.403 -6.613 -12.002 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.298 -6.591 -11.272 1.00 0.00 O ATOM 0 H ASP A 41 4.903 -4.023 -9.362 1.00 0.00 H new ATOM 0 HA ASP A 41 3.177 -3.782 -11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.862 -5.737 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.176 -5.462 -9.245 1.00 0.00 H new ATOM 585 N ILE A 42 1.785 -3.017 -8.551 1.00 0.00 N ATOM 586 CA ILE A 42 0.671 -2.331 -7.919 1.00 0.00 C ATOM 587 C ILE A 42 0.592 -0.898 -8.449 1.00 0.00 C ATOM 588 O ILE A 42 -0.318 -0.561 -9.204 1.00 0.00 O ATOM 589 CB ILE A 42 0.784 -2.418 -6.395 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.729 -3.872 -5.923 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.282 -1.554 -5.717 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.047 -3.977 -4.431 1.00 0.00 C ATOM 0 H ILE A 42 2.486 -3.377 -7.904 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.270 -2.817 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 42 1.756 -2.021 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.261 -4.284 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.440 -4.470 -6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.180 -1.633 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.154 -0.514 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.273 -1.898 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.001 -5.021 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.047 -3.587 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.320 -3.398 -3.862 1.00 0.00 H new ATOM 604 N ALA A 43 1.559 -0.093 -8.032 1.00 0.00 N ATOM 605 CA ALA A 43 1.610 1.296 -8.456 1.00 0.00 C ATOM 606 C ALA A 43 1.231 1.388 -9.935 1.00 0.00 C ATOM 607 O ALA A 43 0.318 2.125 -10.301 1.00 0.00 O ATOM 608 CB ALA A 43 3.002 1.864 -8.174 1.00 0.00 C ATOM 0 H ALA A 43 2.313 -0.376 -7.406 1.00 0.00 H new ATOM 0 HA ALA A 43 0.893 1.895 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.041 2.906 -8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.211 1.802 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.748 1.289 -8.723 1.00 0.00 H new ATOM 614 N LYS A 44 1.953 0.628 -10.746 1.00 0.00 N ATOM 615 CA LYS A 44 1.704 0.615 -12.178 1.00 0.00 C ATOM 616 C LYS A 44 0.228 0.304 -12.432 1.00 0.00 C ATOM 617 O LYS A 44 -0.473 1.085 -13.073 1.00 0.00 O ATOM 618 CB LYS A 44 2.665 -0.347 -12.880 1.00 0.00 C ATOM 619 CG LYS A 44 4.004 0.332 -13.174 1.00 0.00 C ATOM 620 CD LYS A 44 3.941 1.124 -14.482 1.00 0.00 C ATOM 621 CE LYS A 44 5.345 1.444 -14.998 1.00 0.00 C ATOM 622 NZ LYS A 44 5.990 0.224 -15.534 1.00 0.00 N ATOM 0 H LYS A 44 2.710 0.017 -10.439 1.00 0.00 H new ATOM 0 HA LYS A 44 1.902 1.597 -12.608 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.828 -1.225 -12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.219 -0.697 -13.811 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.266 0.999 -12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.791 -0.420 -13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.396 0.551 -15.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.388 2.050 -14.324 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.288 2.205 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.950 1.858 -14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.789 0.493 -16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.337 -0.360 -14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.298 -0.319 -16.089 1.00 0.00 H new ATOM 636 N HIS A 45 -0.200 -0.839 -11.915 1.00 0.00 N ATOM 637 CA HIS A 45 -1.581 -1.263 -12.078 1.00 0.00 C ATOM 638 C HIS A 45 -2.512 -0.065 -11.880 1.00 0.00 C ATOM 639 O HIS A 45 -3.205 0.347 -12.809 1.00 0.00 O ATOM 640 CB HIS A 45 -1.905 -2.428 -11.141 1.00 0.00 C ATOM 641 CG HIS A 45 -3.334 -2.908 -11.230 1.00 0.00 C ATOM 642 ND1 HIS A 45 -3.676 -4.154 -11.727 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.503 -2.299 -10.880 1.00 0.00 C ATOM 644 CE1 HIS A 45 -4.994 -4.277 -11.675 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.505 -3.126 -11.150 1.00 0.00 N ATOM 0 H HIS A 45 0.385 -1.484 -11.383 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.735 -1.634 -13.091 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.238 -3.260 -11.368 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.698 -2.124 -10.115 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.597 -1.311 -10.455 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.564 -5.138 -11.993 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.494 -2.933 -10.991 1.00 0.00 H new ATOM 997 N LEU A 67 5.314 3.590 -3.429 1.00 0.00 N ATOM 998 CA LEU A 67 4.098 3.290 -2.692 1.00 0.00 C ATOM 999 C LEU A 67 4.341 3.521 -1.199 1.00 0.00 C ATOM 1000 O LEU A 67 5.287 2.980 -0.630 1.00 0.00 O ATOM 1001 CB LEU A 67 3.605 1.880 -3.024 1.00 0.00 C ATOM 1002 CG LEU A 67 3.107 1.048 -1.840 1.00 0.00 C ATOM 1003 CD1 LEU A 67 1.795 1.610 -1.288 1.00 0.00 C ATOM 1004 CD2 LEU A 67 2.982 -0.428 -2.221 1.00 0.00 C ATOM 0 HA LEU A 67 3.295 3.963 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.797 1.961 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.417 1.337 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 67 3.847 1.113 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.463 1.000 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.951 2.636 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.035 1.595 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.626 -0.997 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.275 -0.533 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.956 -0.808 -2.530 1.00 0.00 H new ATOM 1016 N ILE A 68 3.469 4.325 -0.608 1.00 0.00 N ATOM 1017 CA ILE A 68 3.577 4.635 0.807 1.00 0.00 C ATOM 1018 C ILE A 68 2.668 3.695 1.601 1.00 0.00 C ATOM 1019 O ILE A 68 1.530 3.447 1.207 1.00 0.00 O ATOM 1020 CB ILE A 68 3.294 6.118 1.054 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.405 6.993 0.470 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.071 6.393 2.543 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.004 7.547 -0.899 1.00 0.00 C ATOM 0 H ILE A 68 2.685 4.771 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 68 4.595 4.466 1.157 1.00 0.00 H new ATOM 0 HB ILE A 68 2.372 6.381 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.620 7.817 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.321 6.410 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.872 7.454 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.220 5.811 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.962 6.109 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.811 8.165 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.813 6.721 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.102 8.150 -0.797 1.00 0.00 H new ATOM 1035 N TYR A 69 3.205 3.197 2.705 1.00 0.00 N ATOM 1036 CA TYR A 69 2.457 2.289 3.558 1.00 0.00 C ATOM 1037 C TYR A 69 2.601 2.676 5.031 1.00 0.00 C ATOM 1038 O TYR A 69 3.706 2.677 5.571 1.00 0.00 O ATOM 1039 CB TYR A 69 3.073 0.905 3.344 1.00 0.00 C ATOM 1040 CG TYR A 69 2.361 -0.217 4.103 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.062 -0.042 4.536 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.018 -1.404 4.356 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.393 -1.097 5.250 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.349 -2.460 5.071 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.069 -2.254 5.483 1.00 0.00 C ATOM 1046 OH TYR A 69 0.437 -3.251 6.158 1.00 0.00 O ATOM 0 H TYR A 69 4.150 3.405 3.029 1.00 0.00 H new ATOM 0 HA TYR A 69 1.396 2.317 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.061 0.674 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.118 0.932 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.548 0.887 4.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.034 -1.541 4.018 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.623 -0.973 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.852 -3.394 5.275 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.526 -3.206 5.982 1.00 0.00 H new ATOM 1056 N GLN A 70 1.468 2.996 5.640 1.00 0.00 N ATOM 1057 CA GLN A 70 1.455 3.384 7.040 1.00 0.00 C ATOM 1058 C GLN A 70 2.369 4.590 7.265 1.00 0.00 C ATOM 1059 O GLN A 70 2.941 4.746 8.343 1.00 0.00 O ATOM 1060 CB GLN A 70 1.859 2.213 7.937 1.00 0.00 C ATOM 1061 CG GLN A 70 0.627 1.491 8.485 1.00 0.00 C ATOM 1062 CD GLN A 70 0.637 1.471 10.015 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.636 1.177 10.651 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.527 1.799 10.568 1.00 0.00 N ATOM 0 H GLN A 70 0.553 2.994 5.189 1.00 0.00 H new ATOM 0 HA GLN A 70 0.438 3.670 7.309 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.474 1.513 7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.469 2.577 8.764 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.277 1.987 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.601 0.470 8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.324 2.035 9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.623 1.815 11.583 1.00 0.00 H new ATOM 1073 N GLY A 71 2.479 5.411 6.231 1.00 0.00 N ATOM 1074 CA GLY A 71 3.315 6.597 6.303 1.00 0.00 C ATOM 1075 C GLY A 71 4.693 6.335 5.691 1.00 0.00 C ATOM 1076 O GLY A 71 5.296 7.232 5.104 1.00 0.00 O ATOM 0 H GLY A 71 2.003 5.278 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.831 7.420 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.427 6.904 7.343 1.00 0.00 H new ATOM 1080 N ARG A 72 5.150 5.102 5.848 1.00 0.00 N ATOM 1081 CA ARG A 72 6.445 4.711 5.319 1.00 0.00 C ATOM 1082 C ARG A 72 6.341 4.426 3.819 1.00 0.00 C ATOM 1083 O ARG A 72 5.263 4.533 3.236 1.00 0.00 O ATOM 1084 CB ARG A 72 6.979 3.466 6.031 1.00 0.00 C ATOM 1085 CG ARG A 72 7.920 3.850 7.175 1.00 0.00 C ATOM 1086 CD ARG A 72 8.812 2.672 7.570 1.00 0.00 C ATOM 1087 NE ARG A 72 9.044 2.681 9.032 1.00 0.00 N ATOM 1088 CZ ARG A 72 8.187 2.179 9.932 1.00 0.00 C ATOM 1089 NH1 ARG A 72 7.036 1.626 9.525 1.00 0.00 N ATOM 1090 NH2 ARG A 72 8.481 2.231 11.238 1.00 0.00 N ATOM 0 H ARG A 72 4.646 4.360 6.334 1.00 0.00 H new ATOM 0 HA ARG A 72 7.135 5.537 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.146 2.881 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.507 2.833 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.539 4.695 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.337 4.174 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.342 1.734 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.764 2.733 7.042 1.00 0.00 H new ATOM 0 HE ARG A 72 9.910 3.095 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.812 1.587 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.384 1.244 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.357 2.653 11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.829 1.849 11.923 1.00 0.00 H new ATOM 1104 N PHE A 73 7.477 4.069 3.237 1.00 0.00 N ATOM 1105 CA PHE A 73 7.527 3.768 1.816 1.00 0.00 C ATOM 1106 C PHE A 73 7.991 2.329 1.577 1.00 0.00 C ATOM 1107 O PHE A 73 8.898 1.845 2.251 1.00 0.00 O ATOM 1108 CB PHE A 73 8.541 4.728 1.191 1.00 0.00 C ATOM 1109 CG PHE A 73 8.143 6.203 1.289 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.294 6.872 2.463 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.637 6.844 0.201 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.925 8.240 2.554 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.268 8.212 0.292 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.420 8.881 1.466 1.00 0.00 C ATOM 0 H PHE A 73 8.369 3.981 3.723 1.00 0.00 H new ATOM 0 HA PHE A 73 6.536 3.880 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.506 4.589 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.674 4.467 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.695 6.363 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.516 6.313 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.045 8.771 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.866 8.721 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.140 9.922 1.534 1.00 0.00 H new ATOM 1124 N LEU A 74 7.346 1.687 0.614 1.00 0.00 N ATOM 1125 CA LEU A 74 7.681 0.314 0.276 1.00 0.00 C ATOM 1126 C LEU A 74 8.577 0.301 -0.963 1.00 0.00 C ATOM 1127 O LEU A 74 8.456 1.165 -1.830 1.00 0.00 O ATOM 1128 CB LEU A 74 6.411 -0.526 0.125 1.00 0.00 C ATOM 1129 CG LEU A 74 5.627 -0.794 1.412 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.366 -1.611 1.125 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.514 -1.459 2.466 1.00 0.00 C ATOM 0 H LEU A 74 6.593 2.092 0.057 1.00 0.00 H new ATOM 0 HA LEU A 74 8.248 -0.149 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.750 -0.025 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.683 -1.484 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 74 5.304 0.163 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.827 -1.788 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.726 -1.062 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.645 -2.566 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.932 -1.638 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.888 -2.408 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.355 -0.805 2.699 1.00 0.00 H new ATOM 1143 N HIS A 75 9.458 -0.688 -1.008 1.00 0.00 N ATOM 1144 CA HIS A 75 10.374 -0.824 -2.128 1.00 0.00 C ATOM 1145 C HIS A 75 9.601 -1.259 -3.374 1.00 0.00 C ATOM 1146 O HIS A 75 8.486 -1.769 -3.271 1.00 0.00 O ATOM 1147 CB HIS A 75 11.521 -1.775 -1.779 1.00 0.00 C ATOM 1148 CG HIS A 75 12.880 -1.286 -2.219 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.483 -1.704 -3.392 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.745 -0.411 -1.631 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.659 -1.101 -3.495 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.820 -0.301 -2.402 1.00 0.00 N ATOM 0 H HIS A 75 9.557 -1.403 -0.287 1.00 0.00 H new ATOM 0 HA HIS A 75 10.833 0.140 -2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.534 -1.931 -0.700 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.328 -2.744 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.583 0.105 -0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.366 -1.222 -4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.632 0.285 -2.209 1.00 0.00 H new ATOM 1160 N GLY A 76 10.223 -1.041 -4.523 1.00 0.00 N ATOM 1161 CA GLY A 76 9.607 -1.405 -5.788 1.00 0.00 C ATOM 1162 C GLY A 76 9.768 -2.900 -6.067 1.00 0.00 C ATOM 1163 O GLY A 76 9.059 -3.460 -6.902 1.00 0.00 O ATOM 0 H GLY A 76 11.147 -0.617 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.548 -1.147 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.060 -0.830 -6.596 1.00 0.00 H new ATOM 1167 N ASN A 77 10.706 -3.505 -5.352 1.00 0.00 N ATOM 1168 CA ASN A 77 10.969 -4.925 -5.512 1.00 0.00 C ATOM 1169 C ASN A 77 10.175 -5.708 -4.464 1.00 0.00 C ATOM 1170 O ASN A 77 10.084 -6.933 -4.536 1.00 0.00 O ATOM 1171 CB ASN A 77 12.453 -5.236 -5.310 1.00 0.00 C ATOM 1172 CG ASN A 77 13.025 -5.984 -6.516 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.770 -5.654 -7.662 1.00 0.00 O ATOM 1174 ND2 ASN A 77 13.811 -7.008 -6.194 1.00 0.00 N ATOM 0 H ASN A 77 11.293 -3.038 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 77 10.675 -5.211 -6.522 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.005 -4.309 -5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.583 -5.837 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.242 -7.571 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.983 -7.230 -5.213 1.00 0.00 H new ATOM 1181 N VAL A 78 9.620 -4.969 -3.514 1.00 0.00 N ATOM 1182 CA VAL A 78 8.837 -5.578 -2.453 1.00 0.00 C ATOM 1183 C VAL A 78 7.581 -6.214 -3.052 1.00 0.00 C ATOM 1184 O VAL A 78 7.067 -5.744 -4.066 1.00 0.00 O ATOM 1185 CB VAL A 78 8.525 -4.541 -1.372 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.320 -4.971 -0.532 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.747 -4.287 -0.487 1.00 0.00 C ATOM 0 H VAL A 78 9.697 -3.954 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 78 9.404 -6.373 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 78 8.271 -3.605 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.119 -4.217 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.447 -5.078 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.534 -5.925 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.498 -3.546 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.045 -5.217 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.569 -3.917 -1.099 1.00 0.00 H new ATOM 1197 N THR A 79 7.123 -7.272 -2.400 1.00 0.00 N ATOM 1198 CA THR A 79 5.937 -7.977 -2.856 1.00 0.00 C ATOM 1199 C THR A 79 5.043 -8.338 -1.669 1.00 0.00 C ATOM 1200 O THR A 79 5.532 -8.773 -0.627 1.00 0.00 O ATOM 1201 CB THR A 79 6.392 -9.192 -3.667 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.134 -9.973 -2.735 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.414 -8.827 -4.745 1.00 0.00 C ATOM 0 H THR A 79 7.552 -7.659 -1.559 1.00 0.00 H new ATOM 0 HA THR A 79 5.326 -7.347 -3.503 1.00 0.00 H new ATOM 0 HB THR A 79 5.526 -9.662 -4.133 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.465 -10.782 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.703 -9.725 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.973 -8.109 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.295 -8.387 -4.277 1.00 0.00 H new ATOM 1211 N LEU A 80 3.747 -8.145 -1.865 1.00 0.00 N ATOM 1212 CA LEU A 80 2.779 -8.446 -0.823 1.00 0.00 C ATOM 1213 C LEU A 80 3.181 -9.743 -0.119 1.00 0.00 C ATOM 1214 O LEU A 80 2.914 -9.917 1.069 1.00 0.00 O ATOM 1215 CB LEU A 80 1.362 -8.473 -1.400 1.00 0.00 C ATOM 1216 CG LEU A 80 0.723 -7.109 -1.672 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.615 -7.266 -2.397 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.585 -6.301 -0.381 1.00 0.00 C ATOM 0 H LEU A 80 3.344 -7.784 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 80 2.776 -7.660 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.382 -9.036 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.720 -9.022 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 80 1.383 -6.548 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.048 -6.282 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.456 -7.773 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.296 -7.854 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.128 -5.336 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.042 -6.846 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.571 -6.144 0.057 1.00 0.00 H new ATOM 1230 N GLY A 81 3.816 -10.621 -0.882 1.00 0.00 N ATOM 1231 CA GLY A 81 4.257 -11.898 -0.346 1.00 0.00 C ATOM 1232 C GLY A 81 5.289 -11.698 0.766 1.00 0.00 C ATOM 1233 O GLY A 81 5.122 -12.210 1.872 1.00 0.00 O ATOM 0 H GLY A 81 4.036 -10.473 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.400 -12.449 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.689 -12.502 -1.144 1.00 0.00 H new ATOM 1237 N ALA A 82 6.333 -10.954 0.433 1.00 0.00 N ATOM 1238 CA ALA A 82 7.392 -10.680 1.390 1.00 0.00 C ATOM 1239 C ALA A 82 6.810 -9.928 2.588 1.00 0.00 C ATOM 1240 O ALA A 82 7.379 -9.954 3.678 1.00 0.00 O ATOM 1241 CB ALA A 82 8.514 -9.901 0.700 1.00 0.00 C ATOM 0 H ALA A 82 6.469 -10.532 -0.486 1.00 0.00 H new ATOM 0 HA ALA A 82 7.822 -11.609 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.308 -9.695 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.913 -10.492 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.120 -8.960 0.315 1.00 0.00 H new ATOM 1247 N LEU A 83 5.683 -9.275 2.345 1.00 0.00 N ATOM 1248 CA LEU A 83 5.018 -8.516 3.390 1.00 0.00 C ATOM 1249 C LEU A 83 4.125 -9.454 4.206 1.00 0.00 C ATOM 1250 O LEU A 83 3.467 -9.024 5.152 1.00 0.00 O ATOM 1251 CB LEU A 83 4.270 -7.322 2.793 1.00 0.00 C ATOM 1252 CG LEU A 83 5.113 -6.350 1.964 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.247 -5.230 1.385 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.284 -5.804 2.783 1.00 0.00 C ATOM 0 H LEU A 83 5.214 -9.256 1.440 1.00 0.00 H new ATOM 0 HA LEU A 83 5.751 -8.093 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.464 -7.701 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.805 -6.766 3.607 1.00 0.00 H new ATOM 0 HG LEU A 83 5.537 -6.897 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.870 -4.553 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.477 -5.660 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.775 -4.678 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.867 -5.116 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.902 -5.277 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.919 -6.629 3.105 1.00 0.00 H new ATOM 1266 N LYS A 84 4.132 -10.719 3.809 1.00 0.00 N ATOM 1267 CA LYS A 84 3.332 -11.721 4.492 1.00 0.00 C ATOM 1268 C LYS A 84 2.059 -11.068 5.034 1.00 0.00 C ATOM 1269 O LYS A 84 1.698 -11.271 6.193 1.00 0.00 O ATOM 1270 CB LYS A 84 4.162 -12.432 5.562 1.00 0.00 C ATOM 1271 CG LYS A 84 4.876 -11.423 6.463 1.00 0.00 C ATOM 1272 CD LYS A 84 3.920 -10.853 7.513 1.00 0.00 C ATOM 1273 CE LYS A 84 4.691 -10.297 8.712 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.758 -9.901 9.790 1.00 0.00 N ATOM 0 H LYS A 84 4.679 -11.072 3.024 1.00 0.00 H new ATOM 0 HA LYS A 84 3.020 -12.499 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.515 -13.069 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.896 -13.082 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.720 -11.905 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.282 -10.613 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.314 -10.064 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.234 -11.632 7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.388 -11.048 9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.285 -9.437 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.298 -9.526 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.110 -9.169 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.210 -10.730 10.096 1.00 0.00 H new ATOM 1288 N LEU A 85 1.412 -10.298 4.171 1.00 0.00 N ATOM 1289 CA LEU A 85 0.187 -9.615 4.550 1.00 0.00 C ATOM 1290 C LEU A 85 -0.950 -10.633 4.648 1.00 0.00 C ATOM 1291 O LEU A 85 -0.947 -11.643 3.946 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.101 -8.461 3.587 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.120 -7.061 4.205 1.00 0.00 C ATOM 1294 CD1 LEU A 85 0.994 -6.904 5.242 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.050 -5.983 3.121 1.00 0.00 C ATOM 0 H LEU A 85 1.713 -10.132 3.211 1.00 0.00 H new ATOM 0 HA LEU A 85 0.293 -9.160 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.649 -8.478 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.066 -8.641 3.114 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.067 -6.931 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.958 -5.900 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.858 -7.638 6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.961 -7.062 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.065 -4.997 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.871 -6.101 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.906 -6.082 2.454 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.922 -10.324 5.548 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.064 -11.200 5.747 1.00 0.00 C ATOM 1309 C PRO A 86 -4.054 -11.083 4.587 1.00 0.00 C ATOM 1310 O PRO A 86 -4.369 -9.980 4.143 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.658 -10.775 7.080 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.114 -9.383 7.354 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.959 -9.137 6.397 1.00 0.00 C ATOM 0 HA PRO A 86 -2.787 -12.254 5.767 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.747 -10.767 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.375 -11.468 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.893 -8.634 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.777 -9.301 8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.118 -8.234 5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.020 -9.005 6.935 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.517 -12.237 4.127 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.465 -12.278 3.027 1.00 0.00 C ATOM 1323 C PHE A 87 -6.854 -11.827 3.483 1.00 0.00 C ATOM 1324 O PHE A 87 -7.086 -11.628 4.674 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.541 -13.731 2.556 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.230 -14.270 1.981 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.406 -13.445 1.279 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.887 -15.572 2.171 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.189 -13.945 0.745 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.670 -16.071 1.637 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.846 -15.247 0.936 1.00 0.00 C ATOM 0 H PHE A 87 -4.253 -13.150 4.497 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.140 -11.609 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.843 -14.358 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.320 -13.816 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.678 -12.411 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.541 -16.227 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.535 -13.291 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.398 -17.105 1.788 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.919 -15.627 0.531 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.742 -11.681 2.510 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.102 -11.258 2.797 1.00 0.00 C ATOM 1343 C GLY A 88 -9.118 -10.106 3.804 1.00 0.00 C ATOM 1344 O GLY A 88 -9.912 -10.109 4.743 1.00 0.00 O ATOM 0 H GLY A 88 -7.546 -11.848 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.592 -10.946 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.672 -12.099 3.192 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.231 -9.150 3.574 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.133 -7.994 4.449 1.00 0.00 C ATOM 1350 C LYS A 89 -7.958 -6.732 3.602 1.00 0.00 C ATOM 1351 O LYS A 89 -7.846 -6.810 2.380 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.025 -8.198 5.484 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.523 -9.039 6.661 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.596 -8.203 7.941 1.00 0.00 C ATOM 1355 CE LYS A 89 -7.818 -9.092 9.165 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.820 -8.788 10.215 1.00 0.00 N ATOM 0 H LYS A 89 -7.573 -9.152 2.794 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.053 -7.870 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.172 -8.689 5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.677 -7.230 5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.508 -9.445 6.431 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.856 -9.887 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.673 -7.636 8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.407 -7.479 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.824 -8.938 9.556 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.744 -10.141 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.985 -9.401 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.863 -8.957 9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.909 -7.792 10.501 1.00 0.00 H new ATOM 1370 N THR A 90 -7.940 -5.597 4.286 1.00 0.00 N ATOM 1371 CA THR A 90 -7.780 -4.320 3.612 1.00 0.00 C ATOM 1372 C THR A 90 -6.592 -3.553 4.196 1.00 0.00 C ATOM 1373 O THR A 90 -6.542 -3.301 5.399 1.00 0.00 O ATOM 1374 CB THR A 90 -9.104 -3.560 3.718 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.030 -4.375 3.003 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.088 -2.243 2.940 1.00 0.00 C ATOM 0 H THR A 90 -8.034 -5.536 5.300 1.00 0.00 H new ATOM 0 HA THR A 90 -7.550 -4.457 2.555 1.00 0.00 H new ATOM 0 HB THR A 90 -9.324 -3.359 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.916 -3.957 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.051 -1.744 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.300 -1.599 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.902 -2.446 1.885 1.00 0.00 H new ATOM 1384 N THR A 91 -5.664 -3.204 3.317 1.00 0.00 N ATOM 1385 CA THR A 91 -4.480 -2.471 3.730 1.00 0.00 C ATOM 1386 C THR A 91 -4.574 -1.010 3.286 1.00 0.00 C ATOM 1387 O THR A 91 -5.107 -0.715 2.217 1.00 0.00 O ATOM 1388 CB THR A 91 -3.255 -3.198 3.171 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.022 -4.252 4.101 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.985 -2.348 3.245 1.00 0.00 C ATOM 0 H THR A 91 -5.708 -3.416 2.320 1.00 0.00 H new ATOM 0 HA THR A 91 -4.392 -2.442 4.816 1.00 0.00 H new ATOM 0 HB THR A 91 -3.443 -3.481 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.478 -4.948 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.146 -2.911 2.836 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.125 -1.434 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.778 -2.093 4.284 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.050 -0.133 4.130 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.068 1.290 3.838 1.00 0.00 C ATOM 1400 C VAL A 92 -2.723 1.701 3.236 1.00 0.00 C ATOM 1401 O VAL A 92 -1.671 1.425 3.812 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.425 2.078 5.099 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.305 3.584 4.857 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -5.824 1.713 5.597 1.00 0.00 C ATOM 0 H VAL A 92 -3.610 -0.381 5.016 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.837 1.518 3.100 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.711 1.805 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.564 4.121 5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.281 3.826 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.984 3.879 4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.052 2.288 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.557 1.942 4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.862 0.649 5.829 1.00 0.00 H new ATOM 1414 N MET A 93 -2.799 2.353 2.086 1.00 0.00 N ATOM 1415 CA MET A 93 -1.600 2.804 1.400 1.00 0.00 C ATOM 1416 C MET A 93 -1.872 4.082 0.604 1.00 0.00 C ATOM 1417 O MET A 93 -2.991 4.304 0.142 1.00 0.00 O ATOM 1418 CB MET A 93 -1.110 1.707 0.453 1.00 0.00 C ATOM 1419 CG MET A 93 -0.289 0.659 1.207 1.00 0.00 C ATOM 1420 SD MET A 93 0.171 -0.666 0.103 1.00 0.00 S ATOM 1421 CE MET A 93 1.122 -1.683 1.219 1.00 0.00 C ATOM 0 H MET A 93 -3.673 2.580 1.611 1.00 0.00 H new ATOM 0 HA MET A 93 -0.836 3.019 2.147 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.963 1.229 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.504 2.148 -0.338 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.605 1.119 1.628 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.868 0.264 2.042 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.591 -2.494 0.662 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.893 -1.077 1.696 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.464 -2.100 1.982 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.830 4.889 0.468 1.00 0.00 N ATOM 1432 CA HIS A 94 -0.943 6.139 -0.265 1.00 0.00 C ATOM 1433 C HIS A 94 -0.181 6.030 -1.587 1.00 0.00 C ATOM 1434 O HIS A 94 0.724 5.207 -1.720 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.474 7.316 0.594 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.462 7.731 1.658 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -1.889 6.876 2.659 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.100 8.918 1.868 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -2.746 7.529 3.430 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -2.875 8.795 2.937 1.00 0.00 N ATOM 0 H HIS A 94 0.096 4.702 0.853 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.989 6.331 -0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.469 7.051 1.072 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.274 8.169 -0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.992 9.808 1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.253 7.130 4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.470 9.526 3.327 1.00 0.00 H new