USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 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 109 THR OG1 : rot 125:sc= 0.453 USER MOD Set 1.2: A 112 ASN : amide:sc= 0.904 K(o=1.4,f=-0.84!) USER MOD Set 2.1: A 80 HIS : no HD1:sc= 0.589 K(o=2.4,f=-3.7!) USER MOD Set 2.2: A 118 ASN : amide:sc= 1.8 K(o=2.4,f=0.2) USER MOD Set 3.1: A 23 HIS : no HD1:sc= 0.547 K(o=2.9,f=-4.7!) USER MOD Set 3.2: A 35 HIS : no HD1:sc= 2.05 K(o=2.9,f=-9.2!) USER MOD Set 3.3: A 113 CYS SG : rot 78:sc= 0.341 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 3:sc= 1.07 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.15) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 1.53 (180deg=1.37) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.21) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -70:sc= 0.182 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.615) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.21 K(o=1.2,f=-0.38) USER MOD Single : A 77 ASN : amide:sc= 1.07 K(o=1.1,f=-1.3) USER MOD Single : A 78 ASN : amide:sc= 1.64 K(o=1.6,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.09) USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.22) USER MOD Single : A 84 TYR OH : rot 39:sc= 0.411 USER MOD Single : A 85 SER OG : rot -100:sc= 1.53 USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0797 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 102 GLN : amide:sc= 0.684 K(o=0.68,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 155:sc= 1.01 (180deg=0.61) USER MOD Single : A 110 SER OG : rot -101:sc= 1.21 USER MOD Single : A 115 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.98) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 5.507 -3.546 9.045 1.00 0.00 N ATOM 117 CA PRO A 8 5.599 -4.990 8.842 1.00 0.00 C ATOM 118 C PRO A 8 5.592 -5.741 10.179 1.00 0.00 C ATOM 119 O PRO A 8 6.298 -5.351 11.113 1.00 0.00 O ATOM 120 CB PRO A 8 6.909 -5.233 8.076 1.00 0.00 C ATOM 121 CG PRO A 8 7.200 -3.890 7.408 1.00 0.00 C ATOM 122 CD PRO A 8 6.624 -2.882 8.398 1.00 0.00 C ATOM 0 HA PRO A 8 4.741 -5.362 8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.715 -5.528 8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.799 -6.030 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.268 -3.739 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.723 -3.814 6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.375 -2.581 9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.296 -1.977 7.886 1.00 0.00 H new ATOM 130 N LYS A 9 4.847 -6.848 10.256 1.00 0.00 N ATOM 131 CA LYS A 9 4.833 -7.757 11.402 1.00 0.00 C ATOM 132 C LYS A 9 4.669 -9.181 10.870 1.00 0.00 C ATOM 133 O LYS A 9 3.986 -9.357 9.856 1.00 0.00 O ATOM 134 CB LYS A 9 3.667 -7.433 12.356 1.00 0.00 C ATOM 135 CG LYS A 9 3.829 -6.094 13.092 1.00 0.00 C ATOM 136 CD LYS A 9 2.697 -5.873 14.102 1.00 0.00 C ATOM 137 CE LYS A 9 2.883 -4.523 14.808 1.00 0.00 C ATOM 138 NZ LYS A 9 1.813 -4.254 15.801 1.00 0.00 N ATOM 0 H LYS A 9 4.223 -7.142 9.505 1.00 0.00 H new ATOM 0 HA LYS A 9 5.763 -7.648 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.737 -7.415 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.576 -8.233 13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.789 -6.074 13.608 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.839 -5.278 12.369 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.734 -5.897 13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.690 -6.679 14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.852 -4.507 15.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.895 -3.726 14.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.981 -3.332 16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.890 -4.242 15.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.817 -4.999 16.526 1.00 0.00 H new ATOM 152 N PRO A 10 5.257 -10.201 11.517 1.00 0.00 N ATOM 153 CA PRO A 10 4.980 -11.596 11.203 1.00 0.00 C ATOM 154 C PRO A 10 3.466 -11.856 11.140 1.00 0.00 C ATOM 155 O PRO A 10 2.700 -11.316 11.944 1.00 0.00 O ATOM 156 CB PRO A 10 5.695 -12.405 12.289 1.00 0.00 C ATOM 157 CG PRO A 10 6.853 -11.491 12.687 1.00 0.00 C ATOM 158 CD PRO A 10 6.229 -10.104 12.595 1.00 0.00 C ATOM 0 HA PRO A 10 5.345 -11.886 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.039 -12.617 13.133 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.049 -13.364 11.911 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.213 -11.708 13.693 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.704 -11.598 12.014 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.751 -9.823 13.533 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.982 -9.346 12.381 1.00 0.00 H new ATOM 166 N GLY A 11 3.037 -12.668 10.174 1.00 0.00 N ATOM 167 CA GLY A 11 1.642 -12.945 9.873 1.00 0.00 C ATOM 168 C GLY A 11 1.095 -12.038 8.772 1.00 0.00 C ATOM 169 O GLY A 11 -0.021 -12.282 8.310 1.00 0.00 O ATOM 0 H GLY A 11 3.680 -13.167 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.538 -13.986 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.045 -12.817 10.776 1.00 0.00 H new ATOM 173 N ASP A 12 1.803 -10.981 8.353 1.00 0.00 N ATOM 174 CA ASP A 12 1.308 -10.106 7.285 1.00 0.00 C ATOM 175 C ASP A 12 1.626 -10.701 5.907 1.00 0.00 C ATOM 176 O ASP A 12 2.556 -11.505 5.763 1.00 0.00 O ATOM 177 CB ASP A 12 1.845 -8.672 7.428 1.00 0.00 C ATOM 178 CG ASP A 12 0.793 -7.644 6.988 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.097 -7.881 5.976 1.00 0.00 O ATOM 180 OD2 ASP A 12 0.614 -6.630 7.699 1.00 0.00 O ATOM 0 H ASP A 12 2.711 -10.714 8.733 1.00 0.00 H new ATOM 0 HA ASP A 12 0.224 -10.043 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.128 -8.487 8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.746 -8.556 6.826 1.00 0.00 H new ATOM 185 N LEU A 13 0.849 -10.313 4.895 1.00 0.00 N ATOM 186 CA LEU A 13 1.057 -10.726 3.515 1.00 0.00 C ATOM 187 C LEU A 13 2.228 -9.943 2.934 1.00 0.00 C ATOM 188 O LEU A 13 2.297 -8.722 3.094 1.00 0.00 O ATOM 189 CB LEU A 13 -0.169 -10.431 2.632 1.00 0.00 C ATOM 190 CG LEU A 13 -1.471 -11.197 2.920 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.464 -10.981 1.775 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.205 -12.694 3.086 1.00 0.00 C ATOM 0 H LEU A 13 0.047 -9.694 5.017 1.00 0.00 H new ATOM 0 HA LEU A 13 1.242 -11.800 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.386 -9.365 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.111 -10.627 1.597 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.890 -10.815 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.385 -11.526 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.685 -9.918 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.030 -11.345 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.143 -13.210 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.764 -13.089 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.518 -12.851 3.917 1.00 0.00 H new ATOM 204 N ILE A 14 3.073 -10.622 2.166 1.00 0.00 N ATOM 205 CA ILE A 14 4.156 -10.029 1.404 1.00 0.00 C ATOM 206 C ILE A 14 3.844 -10.274 -0.066 1.00 0.00 C ATOM 207 O ILE A 14 3.392 -11.358 -0.449 1.00 0.00 O ATOM 208 CB ILE A 14 5.506 -10.684 1.795 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.830 -10.554 3.301 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.673 -10.159 0.931 1.00 0.00 C ATOM 211 CD1 ILE A 14 6.001 -9.116 3.807 1.00 0.00 C ATOM 0 H ILE A 14 3.017 -11.635 2.056 1.00 0.00 H new ATOM 0 HA ILE A 14 4.243 -8.961 1.606 1.00 0.00 H new ATOM 0 HB ILE A 14 5.387 -11.748 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.033 -11.031 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.746 -11.107 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.600 -10.644 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.478 -10.381 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.767 -9.081 1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.226 -9.130 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.819 -8.636 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.080 -8.559 3.638 1.00 0.00 H new ATOM 223 N GLU A 15 4.147 -9.282 -0.892 1.00 0.00 N ATOM 224 CA GLU A 15 4.190 -9.423 -2.330 1.00 0.00 C ATOM 225 C GLU A 15 5.613 -9.063 -2.743 1.00 0.00 C ATOM 226 O GLU A 15 6.282 -8.261 -2.089 1.00 0.00 O ATOM 227 CB GLU A 15 3.123 -8.572 -3.029 1.00 0.00 C ATOM 228 CG GLU A 15 3.384 -7.060 -2.943 1.00 0.00 C ATOM 229 CD GLU A 15 2.428 -6.257 -3.838 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.222 -6.580 -3.916 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.893 -5.275 -4.455 1.00 0.00 O ATOM 0 H GLU A 15 4.373 -8.341 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 15 3.952 -10.441 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.069 -8.863 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.151 -8.790 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.274 -6.732 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.413 -6.853 -3.235 1.00 0.00 H new ATOM 238 N ILE A 16 6.063 -9.643 -3.841 1.00 0.00 N ATOM 239 CA ILE A 16 7.408 -9.557 -4.368 1.00 0.00 C ATOM 240 C ILE A 16 7.202 -9.006 -5.771 1.00 0.00 C ATOM 241 O ILE A 16 6.600 -9.685 -6.605 1.00 0.00 O ATOM 242 CB ILE A 16 8.074 -10.954 -4.390 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.965 -11.764 -3.073 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.534 -10.829 -4.855 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.793 -11.244 -1.896 1.00 0.00 C ATOM 0 H ILE A 16 5.459 -10.223 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 16 8.071 -8.931 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 16 7.501 -11.543 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.918 -11.790 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.264 -12.792 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.997 -11.816 -4.868 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.561 -10.402 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.080 -10.181 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.639 -11.888 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.849 -11.245 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.482 -10.228 -1.653 1.00 0.00 H new ATOM 257 N PHE A 17 7.621 -7.767 -6.020 1.00 0.00 N ATOM 258 CA PHE A 17 7.548 -7.194 -7.361 1.00 0.00 C ATOM 259 C PHE A 17 8.625 -7.857 -8.223 1.00 0.00 C ATOM 260 O PHE A 17 9.812 -7.542 -8.110 1.00 0.00 O ATOM 261 CB PHE A 17 7.660 -5.661 -7.330 1.00 0.00 C ATOM 262 CG PHE A 17 6.388 -4.971 -7.778 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.173 -4.724 -9.149 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.406 -4.602 -6.838 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.990 -4.098 -9.577 1.00 0.00 C ATOM 266 CE2 PHE A 17 4.225 -3.973 -7.270 1.00 0.00 C ATOM 267 CZ PHE A 17 4.016 -3.719 -8.638 1.00 0.00 C ATOM 0 H PHE A 17 8.013 -7.144 -5.314 1.00 0.00 H new ATOM 0 HA PHE A 17 6.573 -7.396 -7.804 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.905 -5.339 -6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.483 -5.348 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.920 -5.017 -9.872 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.560 -4.802 -5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.829 -3.908 -10.628 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.475 -3.684 -6.549 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.109 -3.234 -8.966 1.00 0.00 H new ATOM 277 N ARG A 18 8.216 -8.823 -9.044 1.00 0.00 N ATOM 278 CA ARG A 18 9.101 -9.598 -9.905 1.00 0.00 C ATOM 279 C ARG A 18 9.421 -8.773 -11.163 1.00 0.00 C ATOM 280 O ARG A 18 8.742 -7.774 -11.413 1.00 0.00 O ATOM 281 CB ARG A 18 8.396 -10.936 -10.194 1.00 0.00 C ATOM 282 CG ARG A 18 8.352 -11.836 -8.943 1.00 0.00 C ATOM 283 CD ARG A 18 9.537 -12.802 -8.947 1.00 0.00 C ATOM 284 NE ARG A 18 9.933 -13.225 -7.590 1.00 0.00 N ATOM 285 CZ ARG A 18 9.709 -14.415 -7.018 1.00 0.00 C ATOM 286 NH1 ARG A 18 9.025 -15.357 -7.664 1.00 0.00 N ATOM 287 NH2 ARG A 18 10.166 -14.670 -5.794 1.00 0.00 N ATOM 0 H ARG A 18 7.236 -9.093 -9.129 1.00 0.00 H new ATOM 0 HA ARG A 18 10.061 -9.821 -9.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.381 -10.745 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.916 -11.456 -10.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.377 -11.222 -8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.417 -12.396 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.281 -13.682 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.386 -12.326 -9.437 1.00 0.00 H new ATOM 0 HE ARG A 18 10.431 -12.536 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.667 -15.175 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.859 -16.261 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.690 -13.957 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.992 -15.578 -5.364 1.00 0.00 H new ATOM 301 N PRO A 19 10.427 -9.156 -11.974 1.00 0.00 N ATOM 302 CA PRO A 19 10.918 -8.345 -13.091 1.00 0.00 C ATOM 303 C PRO A 19 9.858 -7.826 -14.076 1.00 0.00 C ATOM 304 O PRO A 19 10.038 -6.745 -14.638 1.00 0.00 O ATOM 305 CB PRO A 19 11.969 -9.209 -13.793 1.00 0.00 C ATOM 306 CG PRO A 19 12.534 -10.048 -12.651 1.00 0.00 C ATOM 307 CD PRO A 19 11.309 -10.302 -11.776 1.00 0.00 C ATOM 0 HA PRO A 19 11.321 -7.415 -12.690 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.527 -9.831 -14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.739 -8.602 -14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.973 -10.978 -13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.315 -9.517 -12.108 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.813 -11.230 -12.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.592 -10.400 -10.728 1.00 0.00 H new ATOM 315 N PHE A 20 8.760 -8.565 -14.278 1.00 0.00 N ATOM 316 CA PHE A 20 7.645 -8.162 -15.142 1.00 0.00 C ATOM 317 C PHE A 20 6.285 -8.646 -14.602 1.00 0.00 C ATOM 318 O PHE A 20 5.296 -8.662 -15.338 1.00 0.00 O ATOM 319 CB PHE A 20 7.910 -8.642 -16.584 1.00 0.00 C ATOM 320 CG PHE A 20 8.021 -10.148 -16.770 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.270 -10.787 -16.634 1.00 0.00 C ATOM 322 CD2 PHE A 20 6.883 -10.916 -17.088 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.376 -12.181 -16.790 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.988 -12.310 -17.244 1.00 0.00 C ATOM 325 CZ PHE A 20 8.234 -12.943 -17.091 1.00 0.00 C ATOM 0 H PHE A 20 8.620 -9.475 -13.838 1.00 0.00 H new ATOM 0 HA PHE A 20 7.585 -7.074 -15.148 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.107 -8.274 -17.223 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.833 -8.182 -16.936 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.150 -10.203 -16.409 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.926 -10.432 -17.213 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.335 -12.666 -16.679 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.111 -12.894 -17.481 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.314 -14.014 -17.205 1.00 0.00 H new ATOM 335 N TYR A 21 6.223 -9.075 -13.337 1.00 0.00 N ATOM 336 CA TYR A 21 5.052 -9.703 -12.722 1.00 0.00 C ATOM 337 C TYR A 21 5.126 -9.501 -11.202 1.00 0.00 C ATOM 338 O TYR A 21 5.841 -8.610 -10.736 1.00 0.00 O ATOM 339 CB TYR A 21 4.959 -11.182 -13.157 1.00 0.00 C ATOM 340 CG TYR A 21 6.095 -12.110 -12.750 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.266 -12.193 -13.527 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.946 -12.961 -11.640 1.00 0.00 C ATOM 343 CE1 TYR A 21 8.266 -13.134 -13.214 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.930 -13.909 -11.320 1.00 0.00 C ATOM 345 CZ TYR A 21 8.095 -14.007 -12.114 1.00 0.00 C ATOM 346 OH TYR A 21 9.044 -14.934 -11.800 1.00 0.00 O ATOM 0 H TYR A 21 7.011 -8.992 -12.695 1.00 0.00 H new ATOM 0 HA TYR A 21 4.127 -9.237 -13.061 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.031 -11.592 -12.758 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.877 -11.208 -14.244 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.398 -11.530 -14.369 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.062 -12.884 -11.025 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.163 -13.189 -13.813 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.797 -14.562 -10.470 1.00 0.00 H new ATOM 0 HH TYR A 21 8.756 -15.444 -11.014 1.00 0.00 H new ATOM 356 N ARG A 22 4.430 -10.311 -10.397 1.00 0.00 N ATOM 357 CA ARG A 22 4.591 -10.310 -8.947 1.00 0.00 C ATOM 358 C ARG A 22 4.370 -11.708 -8.401 1.00 0.00 C ATOM 359 O ARG A 22 3.726 -12.531 -9.051 1.00 0.00 O ATOM 360 CB ARG A 22 3.699 -9.252 -8.258 1.00 0.00 C ATOM 361 CG ARG A 22 2.245 -9.103 -8.741 1.00 0.00 C ATOM 362 CD ARG A 22 1.402 -10.386 -8.732 1.00 0.00 C ATOM 363 NE ARG A 22 -0.029 -10.054 -8.902 1.00 0.00 N ATOM 364 CZ ARG A 22 -1.083 -10.673 -8.352 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.976 -11.853 -7.755 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.279 -10.108 -8.343 1.00 0.00 N ATOM 0 H ARG A 22 3.741 -10.983 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 22 5.615 -10.018 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.675 -9.480 -7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.187 -8.283 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.749 -8.361 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.258 -8.707 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.727 -11.050 -9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.550 -10.922 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.238 -9.261 -9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.070 -12.318 -7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.800 -12.295 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.411 -9.186 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.070 -10.594 -7.920 1.00 0.00 H new ATOM 380 N HIS A 23 4.875 -11.968 -7.205 1.00 0.00 N ATOM 381 CA HIS A 23 4.732 -13.233 -6.496 1.00 0.00 C ATOM 382 C HIS A 23 4.306 -12.914 -5.061 1.00 0.00 C ATOM 383 O HIS A 23 4.359 -11.749 -4.662 1.00 0.00 O ATOM 384 CB HIS A 23 6.067 -13.990 -6.579 1.00 0.00 C ATOM 385 CG HIS A 23 6.080 -15.337 -5.901 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.406 -16.469 -6.358 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.774 -15.655 -4.767 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.713 -17.448 -5.486 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.529 -16.987 -4.526 1.00 0.00 N ATOM 0 H HIS A 23 5.416 -11.280 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 23 3.971 -13.878 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.325 -14.126 -7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.847 -13.370 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.391 -14.993 -4.178 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.352 -18.464 -5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.904 -17.532 -3.749 1.00 0.00 H new ATOM 397 N TRP A 24 3.877 -13.908 -4.282 1.00 0.00 N ATOM 398 CA TRP A 24 3.249 -13.695 -2.980 1.00 0.00 C ATOM 399 C TRP A 24 3.776 -14.693 -1.959 1.00 0.00 C ATOM 400 O TRP A 24 4.084 -15.837 -2.299 1.00 0.00 O ATOM 401 CB TRP A 24 1.730 -13.819 -3.117 1.00 0.00 C ATOM 402 CG TRP A 24 1.063 -12.618 -3.701 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.944 -12.324 -5.013 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.416 -11.524 -2.992 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.270 -11.126 -5.156 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.108 -10.602 -3.944 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.214 -11.229 -1.632 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.835 -9.462 -3.569 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.494 -10.077 -1.243 1.00 0.00 C ATOM 410 CH2 TRP A 24 -1.031 -9.205 -2.204 1.00 0.00 C ATOM 0 H TRP A 24 3.957 -14.891 -4.540 1.00 0.00 H new ATOM 0 HA TRP A 24 3.495 -12.693 -2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.503 -14.684 -3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.303 -14.014 -2.133 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.317 -12.931 -5.825 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.076 -10.684 -6.054 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.607 -11.894 -0.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.236 -8.795 -4.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.626 -9.861 -0.193 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.594 -8.338 -1.893 1.00 0.00 H new ATOM 421 N ALA A 25 3.852 -14.247 -0.706 1.00 0.00 N ATOM 422 CA ALA A 25 4.387 -14.978 0.429 1.00 0.00 C ATOM 423 C ALA A 25 3.736 -14.436 1.711 1.00 0.00 C ATOM 424 O ALA A 25 2.995 -13.451 1.664 1.00 0.00 O ATOM 425 CB ALA A 25 5.907 -14.782 0.446 1.00 0.00 C ATOM 0 H ALA A 25 3.523 -13.317 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 25 4.171 -16.044 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.334 -15.322 1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.333 -15.164 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.136 -13.721 0.541 1.00 0.00 H new ATOM 431 N ILE A 26 4.011 -15.043 2.865 1.00 0.00 N ATOM 432 CA ILE A 26 3.503 -14.587 4.153 1.00 0.00 C ATOM 433 C ILE A 26 4.662 -14.570 5.147 1.00 0.00 C ATOM 434 O ILE A 26 5.439 -15.522 5.204 1.00 0.00 O ATOM 435 CB ILE A 26 2.318 -15.486 4.555 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.438 -14.799 5.613 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.740 -16.896 4.989 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.113 -15.547 5.762 1.00 0.00 C ATOM 0 H ILE A 26 4.599 -15.874 2.930 1.00 0.00 H new ATOM 0 HA ILE A 26 3.114 -13.569 4.120 1.00 0.00 H new ATOM 0 HB ILE A 26 1.720 -15.627 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.959 -14.773 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.250 -13.765 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.856 -17.474 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.260 -17.389 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.405 -16.828 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.502 -15.052 6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.413 -15.549 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.308 -16.574 6.072 1.00 0.00 H new ATOM 450 N TYR A 27 4.815 -13.469 5.879 1.00 0.00 N ATOM 451 CA TYR A 27 5.902 -13.233 6.820 1.00 0.00 C ATOM 452 C TYR A 27 5.752 -14.198 7.999 1.00 0.00 C ATOM 453 O TYR A 27 4.676 -14.268 8.592 1.00 0.00 O ATOM 454 CB TYR A 27 5.807 -11.750 7.232 1.00 0.00 C ATOM 455 CG TYR A 27 6.917 -11.118 8.059 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.079 -11.812 8.447 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.765 -9.771 8.444 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.049 -11.189 9.245 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.741 -9.132 9.232 1.00 0.00 C ATOM 460 CZ TYR A 27 8.890 -9.844 9.643 1.00 0.00 C ATOM 461 OH TYR A 27 9.836 -9.231 10.406 1.00 0.00 O ATOM 0 H TYR A 27 4.160 -12.689 5.830 1.00 0.00 H new ATOM 0 HA TYR A 27 6.888 -13.417 6.394 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.711 -11.165 6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.878 -11.627 7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.224 -12.833 8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.889 -9.222 8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.923 -11.741 9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.612 -8.100 9.522 1.00 0.00 H new ATOM 0 HH TYR A 27 10.582 -9.847 10.560 1.00 0.00 H new ATOM 471 N VAL A 28 6.816 -14.908 8.370 1.00 0.00 N ATOM 472 CA VAL A 28 6.894 -15.712 9.593 1.00 0.00 C ATOM 473 C VAL A 28 8.283 -15.525 10.230 1.00 0.00 C ATOM 474 O VAL A 28 9.216 -15.060 9.569 1.00 0.00 O ATOM 475 CB VAL A 28 6.579 -17.205 9.315 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.198 -17.424 8.676 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.634 -17.902 8.444 1.00 0.00 C ATOM 0 H VAL A 28 7.671 -14.942 7.815 1.00 0.00 H new ATOM 0 HA VAL A 28 6.136 -15.369 10.297 1.00 0.00 H new ATOM 0 HB VAL A 28 6.589 -17.657 10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.040 -18.489 8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.424 -17.043 9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.149 -16.895 7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.349 -18.943 8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.701 -17.398 7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.602 -17.861 8.943 1.00 0.00 H new ATOM 487 N GLY A 29 8.450 -15.929 11.494 1.00 0.00 N ATOM 488 CA GLY A 29 9.723 -15.789 12.198 1.00 0.00 C ATOM 489 C GLY A 29 10.169 -14.326 12.256 1.00 0.00 C ATOM 490 O GLY A 29 9.349 -13.414 12.143 1.00 0.00 O ATOM 0 H GLY A 29 7.711 -16.358 12.051 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.626 -16.182 13.210 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.486 -16.384 11.696 1.00 0.00 H new ATOM 494 N ASP A 30 11.466 -14.088 12.455 1.00 0.00 N ATOM 495 CA ASP A 30 12.012 -12.727 12.480 1.00 0.00 C ATOM 496 C ASP A 30 12.155 -12.133 11.072 1.00 0.00 C ATOM 497 O ASP A 30 12.023 -10.920 10.901 1.00 0.00 O ATOM 498 CB ASP A 30 13.375 -12.727 13.182 1.00 0.00 C ATOM 499 CG ASP A 30 13.996 -11.321 13.212 1.00 0.00 C ATOM 500 OD1 ASP A 30 13.525 -10.463 13.993 1.00 0.00 O ATOM 501 OD2 ASP A 30 14.990 -11.079 12.492 1.00 0.00 O ATOM 0 H ASP A 30 12.161 -14.820 12.602 1.00 0.00 H new ATOM 0 HA ASP A 30 11.308 -12.103 13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.260 -13.096 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.049 -13.412 12.669 1.00 0.00 H new ATOM 506 N GLY A 31 12.379 -12.978 10.058 1.00 0.00 N ATOM 507 CA GLY A 31 12.666 -12.551 8.688 1.00 0.00 C ATOM 508 C GLY A 31 12.524 -13.675 7.660 1.00 0.00 C ATOM 509 O GLY A 31 13.194 -13.648 6.625 1.00 0.00 O ATOM 0 H GLY A 31 12.365 -13.992 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.993 -11.737 8.420 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.680 -12.154 8.644 1.00 0.00 H new ATOM 513 N TYR A 32 11.686 -14.676 7.934 1.00 0.00 N ATOM 514 CA TYR A 32 11.382 -15.748 6.994 1.00 0.00 C ATOM 515 C TYR A 32 10.038 -15.471 6.327 1.00 0.00 C ATOM 516 O TYR A 32 9.273 -14.596 6.740 1.00 0.00 O ATOM 517 CB TYR A 32 11.346 -17.098 7.725 1.00 0.00 C ATOM 518 CG TYR A 32 12.702 -17.633 8.129 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.292 -17.218 9.337 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.371 -18.552 7.298 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.550 -17.719 9.718 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.626 -19.058 7.673 1.00 0.00 C ATOM 523 CZ TYR A 32 15.224 -18.644 8.887 1.00 0.00 C ATOM 524 OH TYR A 32 16.445 -19.120 9.264 1.00 0.00 O ATOM 0 H TYR A 32 11.196 -14.763 8.824 1.00 0.00 H new ATOM 0 HA TYR A 32 12.159 -15.790 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.730 -16.996 8.618 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.858 -17.831 7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 32 12.778 -16.513 9.973 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.918 -18.868 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.001 -17.397 10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.136 -19.764 7.034 1.00 0.00 H new ATOM 0 HH TYR A 32 16.775 -19.747 8.587 1.00 0.00 H new ATOM 534 N VAL A 33 9.723 -16.258 5.309 1.00 0.00 N ATOM 535 CA VAL A 33 8.400 -16.304 4.721 1.00 0.00 C ATOM 536 C VAL A 33 8.026 -17.748 4.415 1.00 0.00 C ATOM 537 O VAL A 33 8.897 -18.584 4.165 1.00 0.00 O ATOM 538 CB VAL A 33 8.298 -15.448 3.443 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.341 -13.941 3.705 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.358 -15.805 2.390 1.00 0.00 C ATOM 0 H VAL A 33 10.390 -16.889 4.865 1.00 0.00 H new ATOM 0 HA VAL A 33 7.702 -15.885 5.445 1.00 0.00 H new ATOM 0 HB VAL A 33 7.313 -15.696 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.264 -13.405 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.508 -13.660 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.281 -13.683 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.232 -15.167 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.353 -15.653 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.243 -16.849 2.097 1.00 0.00 H new ATOM 550 N VAL A 34 6.726 -18.019 4.405 1.00 0.00 N ATOM 551 CA VAL A 34 6.144 -19.239 3.873 1.00 0.00 C ATOM 552 C VAL A 34 5.570 -18.829 2.517 1.00 0.00 C ATOM 553 O VAL A 34 4.986 -17.747 2.390 1.00 0.00 O ATOM 554 CB VAL A 34 5.091 -19.790 4.856 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.163 -20.837 4.226 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.790 -20.389 6.079 1.00 0.00 C ATOM 0 H VAL A 34 6.029 -17.374 4.779 1.00 0.00 H new ATOM 0 HA VAL A 34 6.857 -20.053 3.747 1.00 0.00 H new ATOM 0 HB VAL A 34 4.463 -18.948 5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.447 -21.183 4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.628 -20.391 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.754 -21.681 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.043 -20.777 6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.447 -21.199 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.379 -19.618 6.576 1.00 0.00 H new ATOM 566 N HIS A 35 5.751 -19.657 1.491 1.00 0.00 N ATOM 567 CA HIS A 35 5.215 -19.387 0.160 1.00 0.00 C ATOM 568 C HIS A 35 5.114 -20.670 -0.657 1.00 0.00 C ATOM 569 O HIS A 35 5.647 -21.710 -0.260 1.00 0.00 O ATOM 570 CB HIS A 35 6.073 -18.337 -0.570 1.00 0.00 C ATOM 571 CG HIS A 35 7.421 -18.780 -1.098 1.00 0.00 C ATOM 572 ND1 HIS A 35 7.990 -18.287 -2.277 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.310 -19.632 -0.501 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.198 -18.863 -2.367 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.418 -19.668 -1.317 1.00 0.00 N ATOM 0 H HIS A 35 6.272 -20.531 1.559 1.00 0.00 H new ATOM 0 HA HIS A 35 4.209 -18.983 0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.493 -17.953 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.237 -17.503 0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.170 -20.169 0.426 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.897 -18.701 -3.174 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.263 -20.214 -1.151 1.00 0.00 H new ATOM 583 N LEU A 36 4.434 -20.598 -1.801 1.00 0.00 N ATOM 584 CA LEU A 36 4.454 -21.676 -2.780 1.00 0.00 C ATOM 585 C LEU A 36 5.720 -21.500 -3.610 1.00 0.00 C ATOM 586 O LEU A 36 6.051 -20.381 -4.010 1.00 0.00 O ATOM 587 CB LEU A 36 3.220 -21.628 -3.701 1.00 0.00 C ATOM 588 CG LEU A 36 1.959 -22.352 -3.204 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.179 -23.852 -2.982 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.410 -21.743 -1.919 1.00 0.00 C ATOM 0 H LEU A 36 3.861 -19.799 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 36 4.437 -22.639 -2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.966 -20.582 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.498 -22.053 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 36 1.231 -22.221 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.253 -24.308 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.480 -24.318 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.960 -23.999 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.519 -22.290 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.165 -21.805 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.152 -20.698 -2.093 1.00 0.00 H new ATOM 602 N ALA A 37 6.394 -22.606 -3.907 1.00 0.00 N ATOM 603 CA ALA A 37 7.633 -22.651 -4.668 1.00 0.00 C ATOM 604 C ALA A 37 7.630 -23.886 -5.582 1.00 0.00 C ATOM 605 O ALA A 37 6.865 -24.826 -5.330 1.00 0.00 O ATOM 606 CB ALA A 37 8.796 -22.712 -3.674 1.00 0.00 C ATOM 0 H ALA A 37 6.078 -23.530 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 37 7.735 -21.766 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.739 -22.747 -4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.777 -21.828 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.701 -23.605 -3.057 1.00 0.00 H new ATOM 612 N PRO A 38 8.463 -23.907 -6.642 1.00 0.00 N ATOM 613 CA PRO A 38 8.704 -25.099 -7.449 1.00 0.00 C ATOM 614 C PRO A 38 9.069 -26.310 -6.580 1.00 0.00 C ATOM 615 O PRO A 38 9.773 -26.142 -5.576 1.00 0.00 O ATOM 616 CB PRO A 38 9.844 -24.727 -8.404 1.00 0.00 C ATOM 617 CG PRO A 38 9.697 -23.216 -8.552 1.00 0.00 C ATOM 618 CD PRO A 38 9.236 -22.787 -7.161 1.00 0.00 C ATOM 0 HA PRO A 38 7.808 -25.396 -7.994 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.817 -24.999 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.748 -25.237 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.639 -22.743 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.969 -22.953 -9.319 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.087 -22.566 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.630 -21.882 -7.210 1.00 0.00 H new ATOM 626 N PRO A 39 8.654 -27.533 -6.957 1.00 0.00 N ATOM 627 CA PRO A 39 8.895 -28.714 -6.137 1.00 0.00 C ATOM 628 C PRO A 39 10.392 -29.029 -6.029 1.00 0.00 C ATOM 629 O PRO A 39 10.896 -29.204 -4.916 1.00 0.00 O ATOM 630 CB PRO A 39 8.088 -29.845 -6.790 1.00 0.00 C ATOM 631 CG PRO A 39 7.890 -29.391 -8.236 1.00 0.00 C ATOM 632 CD PRO A 39 7.848 -27.869 -8.124 1.00 0.00 C ATOM 0 HA PRO A 39 8.574 -28.566 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.623 -30.793 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.133 -29.992 -6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.706 -29.725 -8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.968 -29.789 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.248 -27.400 -9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.824 -27.514 -8.007 1.00 0.00 H new ATOM 846 N LYS A 57 2.616 -29.141 -10.678 1.00 0.00 N ATOM 847 CA LYS A 57 2.478 -29.088 -9.226 1.00 0.00 C ATOM 848 C LYS A 57 3.170 -27.850 -8.663 1.00 0.00 C ATOM 849 O LYS A 57 3.903 -27.150 -9.369 1.00 0.00 O ATOM 850 CB LYS A 57 3.139 -30.338 -8.614 1.00 0.00 C ATOM 851 CG LYS A 57 2.326 -31.616 -8.830 1.00 0.00 C ATOM 852 CD LYS A 57 3.069 -32.799 -8.204 1.00 0.00 C ATOM 853 CE LYS A 57 2.214 -34.072 -8.255 1.00 0.00 C ATOM 854 NZ LYS A 57 2.796 -35.162 -7.436 1.00 0.00 N ATOM 0 HA LYS A 57 1.417 -29.049 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.130 -30.467 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.279 -30.180 -7.545 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.338 -31.513 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.175 -31.789 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.007 -32.965 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.323 -32.568 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.208 -33.848 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.120 -34.405 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.125 -35.955 -7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.684 -35.486 -7.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.988 -34.810 -6.476 1.00 0.00 H new ATOM 868 N ALA A 58 2.991 -27.643 -7.362 1.00 0.00 N ATOM 869 CA ALA A 58 3.757 -26.705 -6.546 1.00 0.00 C ATOM 870 C ALA A 58 3.936 -27.321 -5.151 1.00 0.00 C ATOM 871 O ALA A 58 3.287 -28.319 -4.826 1.00 0.00 O ATOM 872 CB ALA A 58 3.067 -25.336 -6.490 1.00 0.00 C ATOM 0 H ALA A 58 2.281 -28.143 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 58 4.738 -26.532 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.657 -24.656 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.979 -24.931 -7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.073 -25.447 -6.056 1.00 0.00 H new ATOM 878 N ILE A 59 4.791 -26.739 -4.310 1.00 0.00 N ATOM 879 CA ILE A 59 5.024 -27.193 -2.937 1.00 0.00 C ATOM 880 C ILE A 59 5.052 -25.961 -2.044 1.00 0.00 C ATOM 881 O ILE A 59 5.504 -24.892 -2.453 1.00 0.00 O ATOM 882 CB ILE A 59 6.320 -28.047 -2.851 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.016 -29.458 -3.383 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.902 -28.185 -1.428 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.137 -30.495 -3.264 1.00 0.00 C ATOM 0 H ILE A 59 5.351 -25.926 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 59 4.224 -27.851 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 59 7.068 -27.524 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.142 -29.840 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.741 -29.373 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.804 -28.796 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.147 -27.197 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.166 -28.659 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.798 -31.446 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.010 -30.152 -3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.402 -30.626 -2.215 1.00 0.00 H new ATOM 897 N VAL A 60 4.568 -26.128 -0.817 1.00 0.00 N ATOM 898 CA VAL A 60 4.611 -25.078 0.197 1.00 0.00 C ATOM 899 C VAL A 60 5.979 -25.174 0.879 1.00 0.00 C ATOM 900 O VAL A 60 6.309 -26.225 1.436 1.00 0.00 O ATOM 901 CB VAL A 60 3.448 -25.240 1.201 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.403 -24.045 2.168 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.071 -25.347 0.522 1.00 0.00 C ATOM 0 H VAL A 60 4.135 -26.994 -0.497 1.00 0.00 H new ATOM 0 HA VAL A 60 4.487 -24.091 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 60 3.644 -26.172 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.578 -24.175 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.342 -23.987 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.257 -23.125 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.298 -25.459 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.881 -24.445 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.058 -26.214 -0.139 1.00 0.00 H new ATOM 913 N LYS A 61 6.769 -24.097 0.860 1.00 0.00 N ATOM 914 CA LYS A 61 8.112 -24.048 1.442 1.00 0.00 C ATOM 915 C LYS A 61 8.218 -22.862 2.389 1.00 0.00 C ATOM 916 O LYS A 61 7.386 -21.953 2.360 1.00 0.00 O ATOM 917 CB LYS A 61 9.191 -23.977 0.338 1.00 0.00 C ATOM 918 CG LYS A 61 9.314 -25.334 -0.359 1.00 0.00 C ATOM 919 CD LYS A 61 10.466 -25.428 -1.370 1.00 0.00 C ATOM 920 CE LYS A 61 10.391 -26.789 -2.085 1.00 0.00 C ATOM 921 NZ LYS A 61 11.272 -26.869 -3.276 1.00 0.00 N ATOM 0 H LYS A 61 6.486 -23.216 0.430 1.00 0.00 H new ATOM 0 HA LYS A 61 8.284 -24.964 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.930 -23.208 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.150 -23.693 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.448 -26.106 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.378 -25.551 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.399 -24.617 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.424 -25.322 -0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.665 -27.577 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.361 -26.977 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.377 -27.863 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.851 -26.325 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.206 -26.475 -3.044 1.00 0.00 H new ATOM 935 N LYS A 62 9.273 -22.868 3.201 1.00 0.00 N ATOM 936 CA LYS A 62 9.649 -21.763 4.075 1.00 0.00 C ATOM 937 C LYS A 62 11.096 -21.424 3.751 1.00 0.00 C ATOM 938 O LYS A 62 11.928 -22.330 3.687 1.00 0.00 O ATOM 939 CB LYS A 62 9.479 -22.158 5.554 1.00 0.00 C ATOM 940 CG LYS A 62 9.942 -21.055 6.523 1.00 0.00 C ATOM 941 CD LYS A 62 9.807 -21.495 7.988 1.00 0.00 C ATOM 942 CE LYS A 62 10.517 -20.485 8.903 1.00 0.00 C ATOM 943 NZ LYS A 62 10.433 -20.865 10.334 1.00 0.00 N ATOM 0 H LYS A 62 9.906 -23.665 3.270 1.00 0.00 H new ATOM 0 HA LYS A 62 9.010 -20.895 3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.431 -22.387 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.046 -23.068 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.981 -20.799 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.352 -20.154 6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.754 -21.568 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.240 -22.487 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.564 -20.407 8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.074 -19.499 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.969 -20.182 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.438 -20.864 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.834 -21.816 10.465 1.00 0.00 H new ATOM 957 N GLU A 63 11.395 -20.145 3.543 1.00 0.00 N ATOM 958 CA GLU A 63 12.707 -19.646 3.141 1.00 0.00 C ATOM 959 C GLU A 63 12.884 -18.251 3.750 1.00 0.00 C ATOM 960 O GLU A 63 11.908 -17.642 4.197 1.00 0.00 O ATOM 961 CB GLU A 63 12.809 -19.598 1.601 1.00 0.00 C ATOM 962 CG GLU A 63 12.770 -20.994 0.956 1.00 0.00 C ATOM 963 CD GLU A 63 12.986 -20.953 -0.562 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.009 -20.687 -1.296 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.112 -21.247 -1.029 1.00 0.00 O ATOM 0 H GLU A 63 10.706 -19.401 3.654 1.00 0.00 H new ATOM 0 HA GLU A 63 13.497 -20.307 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.990 -18.997 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.736 -19.098 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.537 -21.621 1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.809 -21.461 1.169 1.00 0.00 H new ATOM 972 N LEU A 64 14.115 -17.734 3.804 1.00 0.00 N ATOM 973 CA LEU A 64 14.361 -16.356 4.233 1.00 0.00 C ATOM 974 C LEU A 64 13.655 -15.411 3.262 1.00 0.00 C ATOM 975 O LEU A 64 13.731 -15.611 2.047 1.00 0.00 O ATOM 976 CB LEU A 64 15.867 -16.010 4.236 1.00 0.00 C ATOM 977 CG LEU A 64 16.715 -16.361 5.471 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.099 -15.847 6.777 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.015 -17.860 5.530 1.00 0.00 C ATOM 0 H LEU A 64 14.958 -18.251 3.555 1.00 0.00 H new ATOM 0 HA LEU A 64 13.983 -16.248 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.319 -16.505 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.957 -14.936 4.070 1.00 0.00 H new ATOM 0 HG LEU A 64 17.665 -15.838 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.739 -16.123 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.007 -14.762 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.112 -16.290 6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.616 -18.076 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 16.079 -18.417 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.564 -18.157 4.636 1.00 0.00 H new ATOM 991 N LEU A 65 13.048 -14.336 3.782 1.00 0.00 N ATOM 992 CA LEU A 65 12.393 -13.328 2.949 1.00 0.00 C ATOM 993 C LEU A 65 13.370 -12.787 1.916 1.00 0.00 C ATOM 994 O LEU A 65 13.007 -12.639 0.754 1.00 0.00 O ATOM 995 CB LEU A 65 11.817 -12.188 3.811 1.00 0.00 C ATOM 996 CG LEU A 65 10.976 -11.193 2.973 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.864 -10.577 3.836 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.796 -10.013 2.426 1.00 0.00 C ATOM 0 H LEU A 65 12.999 -14.145 4.783 1.00 0.00 H new ATOM 0 HA LEU A 65 11.561 -13.800 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.197 -12.610 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.633 -11.653 4.297 1.00 0.00 H new ATOM 0 HG LEU A 65 10.584 -11.779 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.281 -9.880 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.213 -11.368 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.309 -10.046 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.146 -9.355 1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.231 -9.456 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.593 -10.390 1.785 1.00 0.00 H new ATOM 1010 N TYR A 66 14.609 -12.523 2.330 1.00 0.00 N ATOM 1011 CA TYR A 66 15.624 -11.884 1.504 1.00 0.00 C ATOM 1012 C TYR A 66 15.940 -12.701 0.244 1.00 0.00 C ATOM 1013 O TYR A 66 16.288 -12.120 -0.784 1.00 0.00 O ATOM 1014 CB TYR A 66 16.884 -11.651 2.353 1.00 0.00 C ATOM 1015 CG TYR A 66 16.591 -11.132 3.753 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.993 -9.867 3.925 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.830 -11.949 4.875 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.627 -9.423 5.208 1.00 0.00 C ATOM 1019 CE2 TYR A 66 16.464 -11.513 6.162 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.857 -10.249 6.335 1.00 0.00 C ATOM 1021 OH TYR A 66 15.499 -9.841 7.585 1.00 0.00 O ATOM 0 H TYR A 66 14.938 -12.753 3.268 1.00 0.00 H new ATOM 0 HA TYR A 66 15.240 -10.926 1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.437 -12.587 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.531 -10.940 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.815 -9.236 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 66 17.296 -12.915 4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.171 -8.452 5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.647 -12.145 7.018 1.00 0.00 H new ATOM 0 HH TYR A 66 15.732 -10.536 8.235 1.00 0.00 H new ATOM 1031 N ASP A 67 15.804 -14.033 0.302 1.00 0.00 N ATOM 1032 CA ASP A 67 16.026 -14.898 -0.856 1.00 0.00 C ATOM 1033 C ASP A 67 14.801 -14.906 -1.772 1.00 0.00 C ATOM 1034 O ASP A 67 14.944 -14.841 -2.994 1.00 0.00 O ATOM 1035 CB ASP A 67 16.341 -16.326 -0.404 1.00 0.00 C ATOM 1036 CG ASP A 67 16.613 -17.218 -1.628 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.734 -17.157 -2.182 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.720 -17.993 -2.031 1.00 0.00 O ATOM 0 H ASP A 67 15.539 -14.535 1.149 1.00 0.00 H new ATOM 0 HA ASP A 67 16.876 -14.503 -1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.209 -16.324 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.506 -16.727 0.170 1.00 0.00 H new ATOM 1043 N VAL A 68 13.595 -14.929 -1.196 1.00 0.00 N ATOM 1044 CA VAL A 68 12.342 -14.863 -1.950 1.00 0.00 C ATOM 1045 C VAL A 68 12.232 -13.505 -2.660 1.00 0.00 C ATOM 1046 O VAL A 68 11.823 -13.441 -3.822 1.00 0.00 O ATOM 1047 CB VAL A 68 11.155 -15.174 -1.005 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.810 -15.131 -1.743 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.322 -16.589 -0.421 1.00 0.00 C ATOM 0 H VAL A 68 13.461 -14.994 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 68 12.321 -15.619 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 68 11.157 -14.415 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.004 -15.355 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.658 -14.138 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.811 -15.870 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.487 -16.809 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.341 -17.317 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.256 -16.644 0.138 1.00 0.00 H new ATOM 1059 N ALA A 69 12.683 -12.430 -2.011 1.00 0.00 N ATOM 1060 CA ALA A 69 12.814 -11.091 -2.562 1.00 0.00 C ATOM 1061 C ALA A 69 14.082 -10.946 -3.421 1.00 0.00 C ATOM 1062 O ALA A 69 14.646 -9.855 -3.500 1.00 0.00 O ATOM 1063 CB ALA A 69 12.769 -10.069 -1.416 1.00 0.00 C ATOM 0 H ALA A 69 12.981 -12.479 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 69 11.978 -10.899 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.867 -9.062 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.820 -10.156 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.589 -10.262 -0.724 1.00 0.00 H new ATOM 1069 N GLY A 70 14.541 -12.017 -4.080 1.00 0.00 N ATOM 1070 CA GLY A 70 15.645 -11.978 -5.040 1.00 0.00 C ATOM 1071 C GLY A 70 15.424 -10.956 -6.164 1.00 0.00 C ATOM 1072 O GLY A 70 16.391 -10.449 -6.732 1.00 0.00 O ATOM 0 H GLY A 70 14.147 -12.950 -3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.569 -11.738 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.775 -12.968 -5.477 1.00 0.00 H new ATOM 1076 N SER A 71 14.163 -10.601 -6.442 1.00 0.00 N ATOM 1077 CA SER A 71 13.755 -9.523 -7.339 1.00 0.00 C ATOM 1078 C SER A 71 14.168 -8.121 -6.849 1.00 0.00 C ATOM 1079 O SER A 71 13.931 -7.135 -7.549 1.00 0.00 O ATOM 1080 CB SER A 71 12.231 -9.599 -7.510 1.00 0.00 C ATOM 1081 OG SER A 71 11.803 -10.953 -7.622 1.00 0.00 O ATOM 0 H SER A 71 13.366 -11.083 -6.026 1.00 0.00 H new ATOM 0 HA SER A 71 14.270 -9.664 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.741 -9.127 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.932 -9.043 -8.399 1.00 0.00 H new ATOM 0 HG SER A 71 12.097 -11.319 -8.482 1.00 0.00 H new ATOM 1087 N ASP A 72 14.754 -8.013 -5.649 1.00 0.00 N ATOM 1088 CA ASP A 72 15.215 -6.790 -4.976 1.00 0.00 C ATOM 1089 C ASP A 72 14.114 -5.776 -4.678 1.00 0.00 C ATOM 1090 O ASP A 72 14.350 -4.602 -4.392 1.00 0.00 O ATOM 1091 CB ASP A 72 16.387 -6.196 -5.749 1.00 0.00 C ATOM 1092 CG ASP A 72 17.147 -5.111 -4.965 1.00 0.00 C ATOM 1093 OD1 ASP A 72 17.560 -5.361 -3.810 1.00 0.00 O ATOM 1094 OD2 ASP A 72 17.399 -4.019 -5.525 1.00 0.00 O ATOM 0 H ASP A 72 14.932 -8.841 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 72 15.559 -7.077 -3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 72 17.080 -6.994 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 72 16.019 -5.769 -6.682 1.00 0.00 H new ATOM 1099 N LYS A 73 12.887 -6.269 -4.747 1.00 0.00 N ATOM 1100 CA LYS A 73 11.661 -5.499 -4.734 1.00 0.00 C ATOM 1101 C LYS A 73 10.569 -6.332 -4.089 1.00 0.00 C ATOM 1102 O LYS A 73 10.288 -7.444 -4.536 1.00 0.00 O ATOM 1103 CB LYS A 73 11.299 -5.211 -6.191 1.00 0.00 C ATOM 1104 CG LYS A 73 11.921 -3.905 -6.683 1.00 0.00 C ATOM 1105 CD LYS A 73 11.493 -3.552 -8.118 1.00 0.00 C ATOM 1106 CE LYS A 73 11.743 -4.652 -9.170 1.00 0.00 C ATOM 1107 NZ LYS A 73 13.172 -5.041 -9.292 1.00 0.00 N ATOM 0 H LYS A 73 12.715 -7.272 -4.817 1.00 0.00 H new ATOM 0 HA LYS A 73 11.775 -4.570 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.638 -6.034 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.215 -5.158 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.635 -3.095 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.007 -3.985 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.430 -3.311 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.023 -2.651 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.156 -5.533 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.385 -4.305 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.365 -5.352 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.775 -4.225 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.378 -5.819 -8.633 1.00 0.00 H new ATOM 1121 N TYR A 74 9.947 -5.783 -3.055 1.00 0.00 N ATOM 1122 CA TYR A 74 8.840 -6.396 -2.331 1.00 0.00 C ATOM 1123 C TYR A 74 8.151 -5.334 -1.475 1.00 0.00 C ATOM 1124 O TYR A 74 8.729 -4.268 -1.236 1.00 0.00 O ATOM 1125 CB TYR A 74 9.345 -7.551 -1.447 1.00 0.00 C ATOM 1126 CG TYR A 74 10.175 -7.139 -0.241 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.542 -6.832 -0.383 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.569 -7.051 1.030 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.303 -6.447 0.736 1.00 0.00 C ATOM 1130 CE2 TYR A 74 10.320 -6.659 2.151 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.695 -6.359 2.010 1.00 0.00 C ATOM 1132 OH TYR A 74 12.442 -5.981 3.087 1.00 0.00 O ATOM 0 H TYR A 74 10.207 -4.869 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 74 8.126 -6.806 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.484 -8.120 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.941 -8.223 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.008 -6.892 -1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.521 -7.286 1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.352 -6.218 0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.848 -6.587 3.120 1.00 0.00 H new ATOM 0 HH TYR A 74 11.878 -5.968 3.888 1.00 0.00 H new ATOM 1142 N GLN A 75 6.938 -5.624 -0.997 1.00 0.00 N ATOM 1143 CA GLN A 75 6.249 -4.814 0.001 1.00 0.00 C ATOM 1144 C GLN A 75 5.225 -5.650 0.768 1.00 0.00 C ATOM 1145 O GLN A 75 4.823 -6.723 0.312 1.00 0.00 O ATOM 1146 CB GLN A 75 5.611 -3.566 -0.649 1.00 0.00 C ATOM 1147 CG GLN A 75 4.577 -3.853 -1.753 1.00 0.00 C ATOM 1148 CD GLN A 75 4.131 -2.585 -2.492 1.00 0.00 C ATOM 1149 OE1 GLN A 75 4.244 -1.462 -2.002 1.00 0.00 O ATOM 1150 NE2 GLN A 75 3.628 -2.728 -3.706 1.00 0.00 N ATOM 0 H GLN A 75 6.403 -6.439 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 75 6.982 -4.460 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.130 -2.976 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.406 -2.950 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.003 -4.555 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.706 -4.337 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.534 -3.659 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.334 -1.908 -4.236 1.00 0.00 H new ATOM 1159 N VAL A 76 4.801 -5.163 1.936 1.00 0.00 N ATOM 1160 CA VAL A 76 3.636 -5.704 2.622 1.00 0.00 C ATOM 1161 C VAL A 76 2.442 -5.268 1.768 1.00 0.00 C ATOM 1162 O VAL A 76 2.391 -4.120 1.314 1.00 0.00 O ATOM 1163 CB VAL A 76 3.539 -5.154 4.064 1.00 0.00 C ATOM 1164 CG1 VAL A 76 2.266 -5.627 4.786 1.00 0.00 C ATOM 1165 CG2 VAL A 76 4.747 -5.584 4.909 1.00 0.00 C ATOM 0 H VAL A 76 5.253 -4.391 2.425 1.00 0.00 H new ATOM 0 HA VAL A 76 3.681 -6.788 2.725 1.00 0.00 H new ATOM 0 HB VAL A 76 3.514 -4.069 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.245 -5.214 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.388 -5.287 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.261 -6.716 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.648 -5.181 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.789 -6.672 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.662 -5.204 4.455 1.00 0.00 H new ATOM 1175 N ASN A 77 1.473 -6.158 1.560 1.00 0.00 N ATOM 1176 CA ASN A 77 0.230 -5.813 0.875 1.00 0.00 C ATOM 1177 C ASN A 77 -0.927 -6.606 1.468 1.00 0.00 C ATOM 1178 O ASN A 77 -1.487 -7.496 0.828 1.00 0.00 O ATOM 1179 CB ASN A 77 0.334 -5.970 -0.653 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.943 -5.494 -1.360 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.798 -4.823 -0.786 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -1.089 -5.802 -2.634 1.00 0.00 N ATOM 0 H ASN A 77 1.527 -7.132 1.859 1.00 0.00 H new ATOM 0 HA ASN A 77 0.034 -4.754 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.187 -5.400 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.519 -7.015 -0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.912 -5.483 -3.145 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.378 -6.359 -3.109 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.250 -6.326 2.734 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.451 -6.823 3.366 1.00 0.00 C ATOM 1191 C ASN A 78 -3.676 -6.478 2.528 1.00 0.00 C ATOM 1192 O ASN A 78 -3.859 -5.319 2.145 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.612 -6.194 4.751 1.00 0.00 C ATOM 1194 CG ASN A 78 -3.378 -7.174 5.605 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -4.599 -7.283 5.541 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -2.619 -7.974 6.320 1.00 0.00 N ATOM 0 H ASN A 78 -0.675 -5.744 3.343 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.365 -7.906 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.638 -5.981 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.145 -5.246 4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.041 -8.731 6.858 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.608 -7.838 6.337 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.538 -7.466 2.291 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.737 -7.287 1.464 1.00 0.00 C ATOM 1205 C LYS A 79 -7.023 -7.179 2.288 1.00 0.00 C ATOM 1206 O LYS A 79 -8.099 -7.034 1.706 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.800 -8.386 0.392 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.637 -8.225 -0.611 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.808 -8.938 -1.960 1.00 0.00 C ATOM 1210 CE LYS A 79 -6.058 -8.457 -2.713 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.985 -8.731 -4.168 1.00 0.00 N ATOM 0 H LYS A 79 -4.429 -8.409 2.663 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.657 -6.325 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.749 -9.367 0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.753 -8.335 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.492 -7.162 -0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.725 -8.593 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.925 -8.765 -2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.876 -10.013 -1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.939 -8.947 -2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.184 -7.386 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.907 -8.529 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.257 -8.126 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.740 -9.730 -4.321 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.928 -7.193 3.620 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.082 -7.120 4.522 1.00 0.00 C ATOM 1227 C HIS A 80 -7.882 -6.099 5.620 1.00 0.00 C ATOM 1228 O HIS A 80 -8.560 -6.168 6.642 1.00 0.00 O ATOM 1229 CB HIS A 80 -8.391 -8.474 5.158 1.00 0.00 C ATOM 1230 CG HIS A 80 -8.501 -9.596 4.158 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -9.620 -9.883 3.368 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -7.463 -10.394 3.772 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.225 -10.859 2.530 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -7.936 -11.175 2.747 1.00 0.00 N ATOM 0 H HIS A 80 -6.035 -7.256 4.110 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.925 -6.813 3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.609 -8.715 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.325 -8.401 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.467 -10.408 4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.856 -11.324 1.787 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.400 -11.877 2.236 1.00 0.00 H new ATOM 1242 N ASP A 81 -7.026 -5.101 5.432 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.825 -4.036 6.418 1.00 0.00 C ATOM 1244 C ASP A 81 -8.007 -3.051 6.474 1.00 0.00 C ATOM 1245 O ASP A 81 -7.885 -1.914 6.927 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.513 -3.327 6.087 1.00 0.00 C ATOM 1247 CG ASP A 81 -5.059 -2.338 7.175 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.964 -2.733 8.360 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.717 -1.180 6.842 1.00 0.00 O ATOM 0 H ASP A 81 -6.451 -5.004 4.595 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.771 -4.476 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.733 -4.074 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.626 -2.791 5.144 1.00 0.00 H new ATOM 1254 N ASP A 82 -9.168 -3.503 6.004 1.00 0.00 N ATOM 1255 CA ASP A 82 -10.465 -2.828 6.132 1.00 0.00 C ATOM 1256 C ASP A 82 -11.532 -3.760 6.731 1.00 0.00 C ATOM 1257 O ASP A 82 -12.621 -3.309 7.087 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.899 -2.311 4.752 1.00 0.00 C ATOM 1259 CG ASP A 82 -12.220 -1.524 4.804 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -12.256 -0.431 5.413 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -13.211 -1.967 4.178 1.00 0.00 O ATOM 0 H ASP A 82 -9.237 -4.388 5.501 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.358 -1.988 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.115 -1.672 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.009 -3.154 4.070 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.226 -5.059 6.870 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.182 -6.119 7.210 1.00 0.00 C ATOM 1268 C LYS A 83 -11.704 -6.947 8.405 1.00 0.00 C ATOM 1269 O LYS A 83 -12.537 -7.378 9.203 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.390 -7.066 6.012 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.587 -6.439 4.629 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.816 -5.527 4.557 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.990 -5.104 3.100 1.00 0.00 C ATOM 1274 NZ LYS A 83 -14.821 -3.886 2.966 1.00 0.00 N ATOM 0 H LYS A 83 -10.276 -5.409 6.745 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.121 -5.629 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.528 -7.731 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.260 -7.688 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.699 -5.864 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.685 -7.231 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.703 -6.051 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.684 -4.654 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.011 -4.924 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.449 -5.918 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.067 -3.742 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.691 -3.996 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.289 -3.063 3.313 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.381 -7.095 8.543 1.00 0.00 N ATOM 1289 CA TYR A 84 -9.645 -7.716 9.636 1.00 0.00 C ATOM 1290 C TYR A 84 -9.850 -9.213 9.803 1.00 0.00 C ATOM 1291 O TYR A 84 -10.957 -9.750 9.747 1.00 0.00 O ATOM 1292 CB TYR A 84 -9.850 -6.949 10.941 1.00 0.00 C ATOM 1293 CG TYR A 84 -9.703 -5.462 10.709 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -8.501 -4.984 10.158 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -10.817 -4.612 10.836 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -8.405 -3.643 9.751 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -10.732 -3.277 10.410 1.00 0.00 C ATOM 1298 CZ TYR A 84 -9.522 -2.783 9.871 1.00 0.00 C ATOM 1299 OH TYR A 84 -9.464 -1.492 9.441 1.00 0.00 O ATOM 0 H TYR A 84 -9.746 -6.749 7.823 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.597 -7.640 9.347 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.839 -7.164 11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.124 -7.281 11.683 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.654 -5.646 10.048 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -11.737 -4.986 11.261 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.477 -3.268 9.346 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.591 -2.628 10.494 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.949 -1.447 8.608 1.00 0.00 H new ATOM 1309 N SER A 85 -8.717 -9.880 10.002 1.00 0.00 N ATOM 1310 CA SER A 85 -8.630 -11.330 10.027 1.00 0.00 C ATOM 1311 C SER A 85 -9.487 -11.937 11.150 1.00 0.00 C ATOM 1312 O SER A 85 -9.425 -11.452 12.284 1.00 0.00 O ATOM 1313 CB SER A 85 -7.166 -11.734 10.199 1.00 0.00 C ATOM 1314 OG SER A 85 -6.416 -11.272 9.090 1.00 0.00 O ATOM 0 H SER A 85 -7.821 -9.417 10.153 1.00 0.00 H new ATOM 0 HA SER A 85 -9.019 -11.717 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.767 -11.313 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.084 -12.818 10.281 1.00 0.00 H new ATOM 0 HG SER A 85 -6.270 -12.011 8.463 1.00 0.00 H new ATOM 1320 N PRO A 86 -10.231 -13.030 10.881 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.881 -13.817 11.927 1.00 0.00 C ATOM 1322 C PRO A 86 -9.863 -14.601 12.769 1.00 0.00 C ATOM 1323 O PRO A 86 -10.180 -15.070 13.862 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.846 -14.752 11.193 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.220 -14.924 9.811 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.516 -13.592 9.567 1.00 0.00 C ATOM 0 HA PRO A 86 -11.405 -13.177 12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.944 -15.708 11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.845 -14.322 11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.518 -15.758 9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.975 -15.123 9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.597 -13.737 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.147 -12.920 8.986 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.643 -14.742 12.249 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.540 -15.483 12.838 1.00 0.00 C ATOM 1336 C LEU A 87 -6.561 -14.477 13.454 1.00 0.00 C ATOM 1337 O LEU A 87 -6.129 -13.569 12.740 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.845 -16.276 11.717 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.723 -17.364 11.071 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.969 -17.994 9.898 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.123 -18.464 12.063 1.00 0.00 C ATOM 0 H LEU A 87 -8.390 -14.317 11.357 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.889 -16.169 13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.521 -15.580 10.943 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.947 -16.743 12.122 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.639 -16.882 10.729 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.588 -18.765 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.738 -17.226 9.159 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.042 -18.441 10.259 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.741 -19.205 11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.226 -18.945 12.453 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.686 -18.024 12.886 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.208 -14.594 14.748 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.115 -13.830 15.342 1.00 0.00 C ATOM 1355 C PRO A 88 -3.802 -14.052 14.584 1.00 0.00 C ATOM 1356 O PRO A 88 -3.592 -15.117 13.995 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.001 -14.322 16.789 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.385 -14.887 17.099 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.852 -15.429 15.749 1.00 0.00 C ATOM 0 HA PRO A 88 -5.313 -12.759 15.296 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.227 -15.083 16.892 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.741 -13.509 17.467 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.340 -15.672 17.854 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.058 -14.118 17.479 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.570 -16.475 15.628 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.937 -15.380 15.661 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.883 -13.084 14.653 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.590 -13.154 13.974 1.00 0.00 C ATOM 1369 C CYS A 89 -0.808 -14.417 14.348 1.00 0.00 C ATOM 1370 O CYS A 89 -0.214 -15.044 13.473 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.776 -11.879 14.248 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.717 -11.479 16.024 1.00 0.00 S ATOM 0 H CYS A 89 -3.018 -12.225 15.186 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.778 -13.218 12.902 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.239 -12.008 13.871 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.215 -11.044 13.702 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.018 -10.398 16.202 1.00 0.00 H new ATOM 1378 N SER A 90 -0.859 -14.832 15.615 1.00 0.00 N ATOM 1379 CA SER A 90 -0.265 -16.074 16.087 1.00 0.00 C ATOM 1380 C SER A 90 -0.784 -17.256 15.276 1.00 0.00 C ATOM 1381 O SER A 90 -0.006 -18.017 14.706 1.00 0.00 O ATOM 1382 CB SER A 90 -0.577 -16.237 17.582 1.00 0.00 C ATOM 1383 OG SER A 90 -1.907 -15.823 17.869 1.00 0.00 O ATOM 0 H SER A 90 -1.324 -14.301 16.352 1.00 0.00 H new ATOM 0 HA SER A 90 0.816 -16.042 15.954 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.445 -17.279 17.874 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.127 -15.649 18.171 1.00 0.00 H new ATOM 0 HG SER A 90 -2.086 -15.937 18.826 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.105 -17.392 15.181 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.743 -18.513 14.502 1.00 0.00 C ATOM 1391 C LYS A 91 -2.448 -18.490 13.002 1.00 0.00 C ATOM 1392 O LYS A 91 -2.263 -19.558 12.423 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.254 -18.551 14.779 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.649 -18.466 16.269 1.00 0.00 C ATOM 1395 CD LYS A 91 -3.912 -19.420 17.226 1.00 0.00 C ATOM 1396 CE LYS A 91 -4.026 -20.913 16.871 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.398 -21.452 17.053 1.00 0.00 N ATOM 0 H LYS A 91 -2.765 -16.722 15.576 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.317 -19.431 14.907 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.726 -17.726 14.246 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.661 -19.473 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.482 -17.444 16.609 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.719 -18.659 16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.857 -19.146 17.247 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.300 -19.271 18.234 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.719 -21.058 15.835 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.333 -21.482 17.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.411 -22.460 16.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.685 -21.342 18.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.059 -20.932 16.442 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.345 -17.313 12.379 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.948 -17.192 10.975 1.00 0.00 C ATOM 1413 C ILE A 92 -0.559 -17.822 10.795 1.00 0.00 C ATOM 1414 O ILE A 92 -0.384 -18.674 9.924 1.00 0.00 O ATOM 1415 CB ILE A 92 -2.006 -15.712 10.521 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.464 -15.194 10.563 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.406 -15.532 9.113 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -3.596 -13.682 10.366 1.00 0.00 C ATOM 0 H ILE A 92 -2.534 -16.419 12.833 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.644 -17.732 10.334 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.404 -15.124 11.214 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.041 -15.702 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.907 -15.465 11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.462 -14.482 8.825 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.364 -15.851 9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.967 -16.135 8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.648 -13.400 10.409 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.049 -13.163 11.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.185 -13.404 9.395 1.00 0.00 H new ATOM 1430 N ILE A 93 0.418 -17.443 11.626 1.00 0.00 N ATOM 1431 CA ILE A 93 1.788 -17.951 11.548 1.00 0.00 C ATOM 1432 C ILE A 93 1.780 -19.457 11.818 1.00 0.00 C ATOM 1433 O ILE A 93 2.399 -20.221 11.077 1.00 0.00 O ATOM 1434 CB ILE A 93 2.674 -17.192 12.563 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.733 -15.689 12.222 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.098 -17.764 12.613 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.238 -14.836 13.391 1.00 0.00 C ATOM 0 H ILE A 93 0.276 -16.769 12.378 1.00 0.00 H new ATOM 0 HA ILE A 93 2.202 -17.787 10.553 1.00 0.00 H new ATOM 0 HB ILE A 93 2.218 -17.321 13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.386 -15.541 11.362 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.740 -15.347 11.931 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.690 -17.204 13.337 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.059 -18.812 12.909 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.558 -17.682 11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.259 -13.787 13.094 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.572 -14.958 14.245 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.243 -15.155 13.667 1.00 0.00 H new ATOM 1449 N GLN A 94 1.054 -19.883 12.852 1.00 0.00 N ATOM 1450 CA GLN A 94 0.945 -21.284 13.242 1.00 0.00 C ATOM 1451 C GLN A 94 0.463 -22.116 12.058 1.00 0.00 C ATOM 1452 O GLN A 94 1.073 -23.134 11.738 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.029 -21.441 14.424 1.00 0.00 C ATOM 1454 CG GLN A 94 0.572 -21.099 15.795 1.00 0.00 C ATOM 1455 CD GLN A 94 1.690 -22.060 16.209 1.00 0.00 C ATOM 1456 OE1 GLN A 94 2.818 -21.653 16.471 1.00 0.00 O ATOM 1457 NE2 GLN A 94 1.415 -23.356 16.266 1.00 0.00 N ATOM 0 H GLN A 94 0.518 -19.253 13.449 1.00 0.00 H new ATOM 0 HA GLN A 94 1.929 -21.637 13.553 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.895 -20.802 14.252 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.390 -22.469 14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.963 -20.082 15.772 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.216 -21.120 16.548 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.476 -23.688 16.047 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.143 -24.021 16.529 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.605 -21.673 11.388 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.132 -22.380 10.227 1.00 0.00 C ATOM 1468 C ARG A 95 -0.105 -22.367 9.104 1.00 0.00 C ATOM 1469 O ARG A 95 0.159 -23.422 8.538 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.466 -21.769 9.764 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.641 -22.093 10.705 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.096 -23.559 10.630 1.00 0.00 C ATOM 1473 NE ARG A 95 -4.782 -23.864 9.361 1.00 0.00 N ATOM 1474 CZ ARG A 95 -4.931 -25.078 8.813 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -4.333 -26.151 9.324 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -5.694 -25.214 7.732 1.00 0.00 N ATOM 0 H ARG A 95 -1.119 -20.827 11.633 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.329 -23.414 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.356 -20.687 9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.698 -22.135 8.764 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.350 -21.862 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.483 -21.446 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.231 -24.213 10.740 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.765 -23.773 11.464 1.00 0.00 H new ATOM 0 HE ARG A 95 -5.181 -23.076 8.851 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.745 -26.061 10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.463 -27.064 8.888 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.158 -24.400 7.329 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -5.815 -26.133 7.306 1.00 0.00 H new ATOM 1490 N ALA A 96 0.504 -21.216 8.805 1.00 0.00 N ATOM 1491 CA ALA A 96 1.477 -21.106 7.731 1.00 0.00 C ATOM 1492 C ALA A 96 2.562 -22.166 7.886 1.00 0.00 C ATOM 1493 O ALA A 96 2.815 -22.941 6.966 1.00 0.00 O ATOM 1494 CB ALA A 96 2.082 -19.693 7.711 1.00 0.00 C ATOM 0 H ALA A 96 0.333 -20.342 9.302 1.00 0.00 H new ATOM 0 HA ALA A 96 0.976 -21.277 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.810 -19.620 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.290 -18.960 7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.575 -19.495 8.663 1.00 0.00 H new ATOM 1500 N GLU A 97 3.162 -22.237 9.070 1.00 0.00 N ATOM 1501 CA GLU A 97 4.290 -23.119 9.332 1.00 0.00 C ATOM 1502 C GLU A 97 3.867 -24.588 9.465 1.00 0.00 C ATOM 1503 O GLU A 97 4.694 -25.474 9.252 1.00 0.00 O ATOM 1504 CB GLU A 97 5.044 -22.646 10.584 1.00 0.00 C ATOM 1505 CG GLU A 97 5.650 -21.246 10.396 1.00 0.00 C ATOM 1506 CD GLU A 97 6.632 -20.896 11.526 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.221 -20.787 12.703 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.839 -20.735 11.231 1.00 0.00 O ATOM 0 H GLU A 97 2.877 -21.682 9.877 1.00 0.00 H new ATOM 0 HA GLU A 97 4.957 -23.067 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.363 -22.635 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.837 -23.356 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.166 -21.199 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.851 -20.505 10.365 1.00 0.00 H new ATOM 1515 N GLU A 98 2.599 -24.880 9.774 1.00 0.00 N ATOM 1516 CA GLU A 98 2.076 -26.223 9.880 1.00 0.00 C ATOM 1517 C GLU A 98 1.896 -26.817 8.473 1.00 0.00 C ATOM 1518 O GLU A 98 1.962 -28.033 8.295 1.00 0.00 O ATOM 1519 CB GLU A 98 0.765 -26.115 10.681 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.169 -27.305 10.523 1.00 0.00 C ATOM 1521 CD GLU A 98 -1.361 -27.223 11.492 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.341 -26.506 11.189 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -1.334 -27.893 12.551 1.00 0.00 O ATOM 0 H GLU A 98 1.899 -24.161 9.960 1.00 0.00 H new ATOM 0 HA GLU A 98 2.750 -26.904 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.008 -25.997 11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.238 -25.212 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.536 -27.347 9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.383 -28.228 10.702 1.00 0.00 H new ATOM 1530 N LEU A 99 1.698 -25.955 7.470 1.00 0.00 N ATOM 1531 CA LEU A 99 1.293 -26.347 6.126 1.00 0.00 C ATOM 1532 C LEU A 99 2.475 -26.410 5.153 1.00 0.00 C ATOM 1533 O LEU A 99 2.287 -26.833 4.013 1.00 0.00 O ATOM 1534 CB LEU A 99 0.182 -25.387 5.657 1.00 0.00 C ATOM 1535 CG LEU A 99 -1.100 -25.504 6.513 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -2.050 -24.347 6.206 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.851 -26.824 6.284 1.00 0.00 C ATOM 0 H LEU A 99 1.818 -24.948 7.577 1.00 0.00 H new ATOM 0 HA LEU A 99 0.900 -27.364 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.550 -24.362 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.060 -25.597 4.615 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.776 -25.473 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.948 -24.442 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.557 -23.402 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.323 -24.371 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.742 -26.849 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.143 -26.900 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.202 -27.661 6.541 1.00 0.00 H new ATOM 1549 N VAL A 100 3.680 -26.035 5.586 1.00 0.00 N ATOM 1550 CA VAL A 100 4.924 -26.248 4.849 1.00 0.00 C ATOM 1551 C VAL A 100 5.164 -27.753 4.682 1.00 0.00 C ATOM 1552 O VAL A 100 4.780 -28.558 5.537 1.00 0.00 O ATOM 1553 CB VAL A 100 6.071 -25.544 5.614 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.477 -25.838 5.070 1.00 0.00 C ATOM 1555 CG2 VAL A 100 5.890 -24.020 5.589 1.00 0.00 C ATOM 0 H VAL A 100 3.820 -25.564 6.480 1.00 0.00 H new ATOM 0 HA VAL A 100 4.872 -25.819 3.848 1.00 0.00 H new ATOM 0 HB VAL A 100 6.005 -25.949 6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.217 -25.304 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.672 -26.909 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.542 -25.510 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.708 -23.547 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.891 -23.670 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.942 -23.758 6.060 1.00 0.00 H new ATOM 1565 N GLY A 101 5.844 -28.124 3.594 1.00 0.00 N ATOM 1566 CA GLY A 101 6.316 -29.485 3.381 1.00 0.00 C ATOM 1567 C GLY A 101 5.226 -30.394 2.819 1.00 0.00 C ATOM 1568 O GLY A 101 5.300 -31.611 3.004 1.00 0.00 O ATOM 0 H GLY A 101 6.081 -27.483 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.163 -29.470 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.677 -29.894 4.325 1.00 0.00 H new ATOM 1572 N GLN A 102 4.226 -29.825 2.138 1.00 0.00 N ATOM 1573 CA GLN A 102 3.219 -30.553 1.395 1.00 0.00 C ATOM 1574 C GLN A 102 3.234 -30.047 -0.042 1.00 0.00 C ATOM 1575 O GLN A 102 3.675 -28.927 -0.325 1.00 0.00 O ATOM 1576 CB GLN A 102 1.846 -30.391 2.071 1.00 0.00 C ATOM 1577 CG GLN A 102 1.075 -29.124 1.667 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.211 -28.983 2.476 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.218 -29.639 2.213 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.203 -28.133 3.484 1.00 0.00 N ATOM 0 H GLN A 102 4.100 -28.814 2.094 1.00 0.00 H new ATOM 0 HA GLN A 102 3.431 -31.622 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.235 -31.262 1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.987 -30.385 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.704 -28.247 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.837 -29.162 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.639 -27.595 3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.039 -28.013 4.057 1.00 0.00 H new ATOM 1589 N GLU A 103 2.691 -30.861 -0.933 1.00 0.00 N ATOM 1590 CA GLU A 103 2.582 -30.596 -2.349 1.00 0.00 C ATOM 1591 C GLU A 103 1.125 -30.346 -2.709 1.00 0.00 C ATOM 1592 O GLU A 103 0.205 -30.842 -2.051 1.00 0.00 O ATOM 1593 CB GLU A 103 3.188 -31.777 -3.126 1.00 0.00 C ATOM 1594 CG GLU A 103 2.594 -33.139 -2.735 1.00 0.00 C ATOM 1595 CD GLU A 103 3.212 -34.282 -3.559 1.00 0.00 C ATOM 1596 OE1 GLU A 103 2.880 -34.421 -4.759 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.021 -35.065 -3.009 1.00 0.00 O ATOM 0 H GLU A 103 2.298 -31.765 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 103 3.138 -29.699 -2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.035 -31.616 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.265 -31.798 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.765 -33.320 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.515 -33.123 -2.886 1.00 0.00 H new ATOM 1604 N VAL A 104 0.928 -29.582 -3.777 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.360 -29.230 -4.327 1.00 0.00 C ATOM 1606 C VAL A 104 -0.279 -29.428 -5.840 1.00 0.00 C ATOM 1607 O VAL A 104 0.799 -29.340 -6.434 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.711 -27.786 -3.930 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.075 -27.667 -2.443 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.395 -26.778 -4.259 1.00 0.00 C ATOM 0 H VAL A 104 1.703 -29.176 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.159 -29.860 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.582 -27.537 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.315 -26.630 -2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.938 -28.297 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.230 -27.990 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.081 -25.780 -3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.306 -27.051 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.586 -26.785 -5.332 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.418 -29.718 -6.470 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.464 -30.151 -7.867 1.00 0.00 C ATOM 1622 C LEU A 105 -1.830 -29.007 -8.816 1.00 0.00 C ATOM 1623 O LEU A 105 -2.075 -29.239 -10.000 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.422 -31.352 -7.997 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.752 -32.725 -7.786 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -1.098 -32.892 -6.407 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.791 -33.835 -7.980 1.00 0.00 C ATOM 0 H LEU A 105 -2.335 -29.659 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.466 -30.469 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.228 -31.239 -7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.879 -31.332 -8.987 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.953 -32.792 -8.525 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.649 -33.882 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.327 -32.133 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.854 -32.779 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.318 -34.806 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.597 -33.709 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.197 -33.780 -8.990 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.887 -27.779 -8.301 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.966 -26.575 -9.109 1.00 0.00 C ATOM 1641 C TYR A 106 -0.548 -26.025 -9.286 1.00 0.00 C ATOM 1642 O TYR A 106 0.301 -26.150 -8.399 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.928 -25.552 -8.486 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.606 -25.080 -7.075 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.559 -24.163 -6.855 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.383 -25.525 -5.988 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.288 -23.695 -5.558 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.125 -25.052 -4.688 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.077 -24.129 -4.468 1.00 0.00 C ATOM 1650 OH TYR A 106 -1.806 -23.665 -3.216 1.00 0.00 O ATOM 0 H TYR A 106 -1.879 -27.596 -7.298 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.378 -26.803 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.964 -24.678 -9.137 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.928 -25.986 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.962 -23.818 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.181 -26.233 -6.153 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.476 -23.003 -5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.727 -25.394 -3.859 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.438 -24.057 -2.578 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.291 -25.412 -10.440 1.00 0.00 N ATOM 1661 CA LYS A 107 0.987 -24.836 -10.793 1.00 0.00 C ATOM 1662 C LYS A 107 1.247 -23.535 -10.045 1.00 0.00 C ATOM 1663 O LYS A 107 0.313 -22.877 -9.577 1.00 0.00 O ATOM 1664 CB LYS A 107 0.930 -24.554 -12.302 1.00 0.00 C ATOM 1665 CG LYS A 107 2.311 -24.762 -12.912 1.00 0.00 C ATOM 1666 CD LYS A 107 2.363 -24.507 -14.427 1.00 0.00 C ATOM 1667 CE LYS A 107 1.971 -23.083 -14.865 1.00 0.00 C ATOM 1668 NZ LYS A 107 2.883 -22.024 -14.358 1.00 0.00 N ATOM 0 H LYS A 107 -0.994 -25.304 -11.171 1.00 0.00 H new ATOM 0 HA LYS A 107 1.792 -25.522 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.207 -25.216 -12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.593 -23.533 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.021 -24.099 -12.417 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.636 -25.783 -12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.373 -24.713 -14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.701 -25.218 -14.922 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.951 -23.041 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.959 -22.873 -14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.842 -21.199 -14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.590 -21.743 -13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.856 -22.389 -14.329 1.00 0.00 H new ATOM 1682 N LEU A 108 2.511 -23.114 -10.021 1.00 0.00 N ATOM 1683 CA LEU A 108 2.877 -21.776 -9.586 1.00 0.00 C ATOM 1684 C LEU A 108 2.236 -20.796 -10.559 1.00 0.00 C ATOM 1685 O LEU A 108 2.466 -20.898 -11.768 1.00 0.00 O ATOM 1686 CB LEU A 108 4.407 -21.546 -9.612 1.00 0.00 C ATOM 1687 CG LEU A 108 5.256 -22.202 -8.510 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.694 -21.907 -7.118 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.427 -23.710 -8.720 1.00 0.00 C ATOM 0 H LEU A 108 3.303 -23.691 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 108 2.537 -21.638 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.781 -21.896 -10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.583 -20.471 -9.574 1.00 0.00 H new ATOM 0 HG LEU A 108 6.247 -21.754 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.319 -22.386 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.684 -20.830 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.678 -22.294 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.034 -24.123 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.449 -24.191 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.920 -23.891 -9.675 1.00 0.00 H new ATOM 1701 N THR A 109 1.465 -19.854 -10.030 1.00 0.00 N ATOM 1702 CA THR A 109 0.977 -18.680 -10.729 1.00 0.00 C ATOM 1703 C THR A 109 0.943 -17.577 -9.670 1.00 0.00 C ATOM 1704 O THR A 109 0.800 -17.861 -8.471 1.00 0.00 O ATOM 1705 CB THR A 109 -0.412 -18.893 -11.373 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.401 -19.113 -10.390 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.468 -20.054 -12.371 1.00 0.00 C ATOM 0 H THR A 109 1.151 -19.893 -9.060 1.00 0.00 H new ATOM 0 HA THR A 109 1.625 -18.430 -11.569 1.00 0.00 H new ATOM 0 HB THR A 109 -0.604 -17.971 -11.922 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.127 -18.465 -10.505 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.476 -20.136 -12.777 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.236 -19.871 -13.182 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.204 -20.982 -11.864 1.00 0.00 H new ATOM 1715 N SER A 110 1.042 -16.319 -10.097 1.00 0.00 N ATOM 1716 CA SER A 110 0.930 -15.174 -9.208 1.00 0.00 C ATOM 1717 C SER A 110 -0.394 -15.201 -8.432 1.00 0.00 C ATOM 1718 O SER A 110 -0.430 -14.792 -7.271 1.00 0.00 O ATOM 1719 CB SER A 110 1.061 -13.906 -10.059 1.00 0.00 C ATOM 1720 OG SER A 110 2.256 -13.934 -10.816 1.00 0.00 O ATOM 0 H SER A 110 1.203 -16.069 -11.073 1.00 0.00 H new ATOM 0 HA SER A 110 1.722 -15.199 -8.460 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.204 -13.820 -10.726 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.053 -13.027 -9.415 1.00 0.00 H new ATOM 0 HG SER A 110 2.932 -13.374 -10.380 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.470 -15.694 -9.055 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.792 -15.753 -8.448 1.00 0.00 C ATOM 1728 C GLU A 111 -2.897 -16.921 -7.464 1.00 0.00 C ATOM 1729 O GLU A 111 -3.498 -16.756 -6.406 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.867 -15.884 -9.539 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.952 -14.629 -10.420 1.00 0.00 C ATOM 1732 CD GLU A 111 -5.075 -14.749 -11.466 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.232 -14.367 -11.174 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -4.812 -15.210 -12.601 1.00 0.00 O ATOM 0 H GLU A 111 -1.441 -16.066 -10.004 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.952 -14.828 -7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.646 -16.750 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.836 -16.066 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.129 -13.755 -9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.999 -14.472 -10.925 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.308 -18.086 -7.758 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.401 -19.235 -6.855 1.00 0.00 C ATOM 1743 C ASN A 112 -1.625 -18.962 -5.570 1.00 0.00 C ATOM 1744 O ASN A 112 -2.063 -19.371 -4.493 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.874 -20.523 -7.510 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.865 -21.173 -8.475 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.078 -20.997 -8.372 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.385 -21.953 -9.429 1.00 0.00 N ATOM 0 H ASN A 112 -1.767 -18.256 -8.606 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.456 -19.381 -6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.953 -20.296 -8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.619 -21.239 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.021 -22.411 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.379 -22.097 -9.512 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.494 -18.255 -5.661 1.00 0.00 N ATOM 1756 CA CYS A 113 0.263 -17.873 -4.475 1.00 0.00 C ATOM 1757 C CYS A 113 -0.552 -16.884 -3.639 1.00 0.00 C ATOM 1758 O CYS A 113 -0.693 -17.083 -2.434 1.00 0.00 O ATOM 1759 CB CYS A 113 1.612 -17.265 -4.873 1.00 0.00 C ATOM 1760 SG CYS A 113 2.535 -18.466 -5.876 1.00 0.00 S ATOM 0 H CYS A 113 -0.088 -17.939 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 113 0.458 -18.762 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.458 -16.345 -5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.183 -17.002 -3.983 1.00 0.00 H new ATOM 0 HG CYS A 113 2.069 -18.467 -7.090 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.116 -15.854 -4.283 1.00 0.00 N ATOM 1767 CA GLU A 114 -1.948 -14.837 -3.642 1.00 0.00 C ATOM 1768 C GLU A 114 -3.127 -15.493 -2.914 1.00 0.00 C ATOM 1769 O GLU A 114 -3.422 -15.154 -1.765 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.438 -13.858 -4.721 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.268 -12.690 -4.172 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.877 -11.815 -5.283 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -3.395 -11.835 -6.440 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.855 -11.092 -4.990 1.00 0.00 O ATOM 0 H GLU A 114 -1.002 -15.705 -5.286 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.368 -14.292 -2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.575 -13.458 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.037 -14.405 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.069 -13.083 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.638 -12.071 -3.533 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.776 -16.454 -3.575 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.904 -17.208 -3.055 1.00 0.00 C ATOM 1783 C HIS A 115 -4.488 -17.902 -1.761 1.00 0.00 C ATOM 1784 O HIS A 115 -5.066 -17.630 -0.709 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.360 -18.195 -4.142 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.546 -19.061 -3.795 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -6.647 -19.928 -2.702 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -7.652 -19.203 -4.578 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -7.833 -20.547 -2.840 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -8.457 -20.131 -3.956 1.00 0.00 N ATOM 0 H HIS A 115 -3.516 -16.734 -4.521 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.747 -16.561 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.600 -17.628 -5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.521 -18.845 -4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.857 -18.688 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.229 -21.277 -2.150 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -9.369 -20.448 -4.285 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.434 -18.721 -1.814 1.00 0.00 N ATOM 1799 CA PHE A 116 -2.999 -19.506 -0.671 1.00 0.00 C ATOM 1800 C PHE A 116 -2.655 -18.628 0.526 1.00 0.00 C ATOM 1801 O PHE A 116 -3.115 -18.902 1.635 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.800 -20.375 -1.072 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.034 -20.959 0.105 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.386 -22.210 0.646 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.035 -20.234 0.667 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.665 -22.732 1.737 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.738 -20.740 1.771 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.395 -21.998 2.300 1.00 0.00 C ATOM 0 H PHE A 116 -2.865 -18.854 -2.650 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.825 -20.148 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.152 -21.191 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.117 -19.777 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.208 -22.769 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.316 -19.281 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.926 -23.698 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.539 -20.166 2.213 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.945 -22.400 3.138 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.867 -17.569 0.333 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.475 -16.741 1.472 1.00 0.00 C ATOM 1820 C VAL A 117 -2.704 -16.064 2.094 1.00 0.00 C ATOM 1821 O VAL A 117 -2.733 -15.857 3.305 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.340 -15.759 1.132 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.916 -16.508 0.664 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.710 -14.699 0.088 1.00 0.00 C ATOM 0 H VAL A 117 -1.498 -17.272 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.051 -17.397 2.233 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.144 -15.229 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.702 -15.790 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.258 -17.175 1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.681 -17.091 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.147 -14.050 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.995 -15.189 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.546 -14.103 0.455 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.749 -15.780 1.307 1.00 0.00 N ATOM 1835 CA ASN A 118 -4.991 -15.234 1.842 1.00 0.00 C ATOM 1836 C ASN A 118 -5.789 -16.290 2.601 1.00 0.00 C ATOM 1837 O ASN A 118 -6.441 -15.945 3.586 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.833 -14.561 0.752 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.360 -13.136 0.521 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.896 -12.206 1.108 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.327 -12.929 -0.276 1.00 0.00 N ATOM 0 H ASN A 118 -3.754 -15.921 0.297 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.719 -14.459 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.761 -15.130 -0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.883 -14.559 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.966 -11.984 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.890 -13.714 -0.759 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.700 -17.571 2.228 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.273 -18.648 3.037 1.00 0.00 C ATOM 1850 C GLU A 119 -5.636 -18.656 4.429 1.00 0.00 C ATOM 1851 O GLU A 119 -6.335 -18.866 5.415 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.128 -20.044 2.401 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.808 -20.202 1.036 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.786 -21.667 0.560 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.698 -22.208 0.259 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.867 -22.294 0.492 1.00 0.00 O ATOM 0 H GLU A 119 -5.238 -17.885 1.374 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.341 -18.440 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.067 -20.269 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.542 -20.784 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.839 -19.855 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.304 -19.572 0.302 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.334 -18.386 4.539 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.667 -18.329 5.834 1.00 0.00 C ATOM 1865 C LEU A 120 -4.068 -17.062 6.578 1.00 0.00 C ATOM 1866 O LEU A 120 -4.458 -17.125 7.740 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.143 -18.356 5.679 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.612 -19.564 4.901 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -0.102 -19.398 4.737 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -1.915 -20.889 5.600 1.00 0.00 C ATOM 0 H LEU A 120 -3.722 -18.204 3.743 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.977 -19.207 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.824 -17.444 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.688 -18.347 6.670 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.112 -19.598 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.300 -20.248 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.106 -18.479 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 120 0.367 -19.349 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.517 -21.713 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.451 -20.895 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.993 -21.006 5.706 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.973 -15.908 5.909 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.207 -14.595 6.505 1.00 0.00 C ATOM 1884 C ARG A 121 -5.653 -14.413 6.959 1.00 0.00 C ATOM 1885 O ARG A 121 -5.889 -13.607 7.859 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.794 -13.523 5.475 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.951 -12.056 5.906 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.988 -11.642 7.029 1.00 0.00 C ATOM 1889 NE ARG A 121 -3.695 -10.881 8.074 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.189 -10.424 9.225 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -1.897 -10.553 9.503 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -4.009 -9.838 10.085 1.00 0.00 N ATOM 0 H ARG A 121 -3.727 -15.863 4.920 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.604 -14.497 7.408 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.750 -13.690 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.381 -13.677 4.570 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.787 -11.412 5.042 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.976 -11.890 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.530 -12.529 7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.180 -11.037 6.616 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.680 -10.680 7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.274 -11.006 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.527 -10.199 10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -5.000 -9.744 9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.649 -9.481 10.970 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.613 -15.112 6.350 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.032 -14.813 6.557 1.00 0.00 C ATOM 1908 C TYR A 122 -8.921 -16.061 6.649 1.00 0.00 C ATOM 1909 O TYR A 122 -10.139 -15.942 6.767 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.481 -13.861 5.431 1.00 0.00 C ATOM 1911 CG TYR A 122 -9.678 -12.986 5.755 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -9.492 -11.781 6.459 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.968 -13.351 5.323 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -10.588 -10.944 6.733 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.072 -12.526 5.604 1.00 0.00 C ATOM 1916 CZ TYR A 122 -11.884 -11.314 6.311 1.00 0.00 C ATOM 1917 OH TYR A 122 -12.940 -10.497 6.584 1.00 0.00 O ATOM 0 H TYR A 122 -6.435 -15.887 5.711 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.150 -14.335 7.529 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.642 -13.217 5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.716 -14.456 4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.504 -11.498 6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -11.110 -14.269 4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -10.439 -10.017 7.267 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -13.061 -12.816 5.281 1.00 0.00 H new ATOM 0 HH TYR A 122 -13.762 -10.893 6.226 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.353 -17.266 6.605 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.086 -18.525 6.718 1.00 0.00 C ATOM 1929 C GLY A 123 -9.490 -19.074 5.349 1.00 0.00 C ATOM 1930 O GLY A 123 -9.504 -20.292 5.160 1.00 0.00 O ATOM 0 H GLY A 123 -7.348 -17.396 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.469 -19.259 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.978 -18.373 7.326 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.770 -18.200 4.378 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.074 -18.553 2.997 1.00 0.00 C ATOM 1936 C VAL A 124 -9.724 -17.340 2.120 1.00 0.00 C ATOM 1937 O VAL A 124 -9.839 -16.198 2.580 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.553 -19.005 2.893 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.570 -17.906 3.241 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -11.873 -19.602 1.517 1.00 0.00 C ATOM 0 H VAL A 124 -9.791 -17.194 4.542 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.483 -19.398 2.643 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.659 -19.781 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.581 -18.302 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.408 -17.572 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.443 -17.064 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -12.919 -19.906 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.689 -18.855 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.238 -20.470 1.340 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.265 -17.585 0.886 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.048 -16.541 -0.109 1.00 0.00 C ATOM 1952 C ALA A 125 -10.322 -15.721 -0.320 1.00 0.00 C ATOM 1953 O ALA A 125 -11.409 -16.318 -0.482 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.568 -17.154 -1.424 1.00 0.00 C ATOM 1955 OXT ALA A 125 -10.226 -14.479 -0.377 1.00 0.00 O ATOM 0 H ALA A 125 -9.034 -18.521 0.553 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.274 -15.867 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.410 -16.364 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.632 -17.686 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.320 -17.850 -1.797 1.00 0.00 H new