USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 699 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 66 GLN : amide:sc= -0.0932 K(o=-0.093,f=-2.1!) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1.8) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 29 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 32:sc= 0.211 USER MOD Single : A 42 TYR OH : rot 130:sc= -0.675 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= 0.00469 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 54 SER OG : rot 11:sc= 0.308! USER MOD Single : A 59 SER OG : rot 130:sc= -0.196 USER MOD Single : A 74 LYS NZ :NH3+ 156:sc= -0.119 (180deg=-0.565) USER MOD Single : A 75 HIS : no HD1:sc= -1.78! X(o=-1.8!,f=-2) USER MOD Single : A 76 THR OG1 : rot 38:sc= 0.886 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -1.55! K(o=-1.5!,f=-0.72) USER MOD Single : A 86 THR OG1 : rot -112:sc= 0.303 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.92) USER MOD Single : A 102 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.2!) USER MOD Single : A 104 MET CE :methyl -157:sc= -0.0257 (180deg=-0.72) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -1.226 -1.327 13.220 1.00 0.00 N ATOM 105 CA VAL A 11 -1.112 -2.025 11.944 1.00 0.00 C ATOM 106 C VAL A 11 -2.470 -2.147 11.263 1.00 0.00 C ATOM 107 O VAL A 11 -3.502 -2.264 11.924 1.00 0.00 O ATOM 108 CB VAL A 11 -0.512 -3.431 12.125 1.00 0.00 C ATOM 109 CG1 VAL A 11 -1.329 -4.236 13.125 1.00 0.00 C ATOM 110 CG2 VAL A 11 -0.432 -4.152 10.788 1.00 0.00 C ATOM 0 HA VAL A 11 -0.446 -1.433 11.317 1.00 0.00 H new ATOM 0 HB VAL A 11 0.499 -3.327 12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.890 -5.227 13.240 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.330 -3.726 14.088 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.353 -4.333 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.005 -5.144 10.935 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.432 -4.246 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.199 -3.583 10.105 1.00 0.00 H new ATOM 120 N THR A 12 -2.464 -2.120 9.933 1.00 0.00 N ATOM 121 CA THR A 12 -3.695 -2.228 9.161 1.00 0.00 C ATOM 122 C THR A 12 -3.993 -3.678 8.799 1.00 0.00 C ATOM 123 O THR A 12 -5.099 -4.171 9.024 1.00 0.00 O ATOM 124 CB THR A 12 -3.621 -1.394 7.868 1.00 0.00 C ATOM 125 OG1 THR A 12 -3.118 -0.084 8.157 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.991 -1.283 7.216 1.00 0.00 C ATOM 0 H THR A 12 -1.620 -2.024 9.369 1.00 0.00 H new ATOM 0 HA THR A 12 -4.497 -1.842 9.790 1.00 0.00 H new ATOM 0 HB THR A 12 -2.946 -1.898 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.073 0.439 7.329 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.913 -0.690 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.359 -2.279 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.684 -0.800 7.905 1.00 0.00 H new ATOM 134 N LYS A 13 -2.999 -4.360 8.240 1.00 0.00 N ATOM 135 CA LYS A 13 -3.152 -5.756 7.849 1.00 0.00 C ATOM 136 C LYS A 13 -1.805 -6.471 7.843 1.00 0.00 C ATOM 137 O LYS A 13 -0.764 -5.851 7.632 1.00 0.00 O ATOM 138 CB LYS A 13 -3.799 -5.851 6.465 1.00 0.00 C ATOM 139 CG LYS A 13 -4.153 -7.270 6.056 1.00 0.00 C ATOM 140 CD LYS A 13 -5.345 -7.298 5.113 1.00 0.00 C ATOM 141 CE LYS A 13 -5.737 -8.722 4.752 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.668 -9.312 5.753 1.00 0.00 N ATOM 0 H LYS A 13 -2.077 -3.968 8.047 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.798 -6.243 8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.703 -5.242 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.119 -5.427 5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.294 -7.735 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.377 -7.861 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.191 -6.794 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.105 -6.744 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.208 -8.731 3.769 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.841 -9.339 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.911 -10.283 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.210 -9.327 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.534 -8.738 5.802 1.00 0.00 H new ATOM 156 N ALA A 14 -1.834 -7.779 8.075 1.00 0.00 N ATOM 157 CA ALA A 14 -0.615 -8.579 8.092 1.00 0.00 C ATOM 158 C ALA A 14 -0.924 -10.057 7.880 1.00 0.00 C ATOM 159 O ALA A 14 -1.850 -10.600 8.481 1.00 0.00 O ATOM 160 CB ALA A 14 0.130 -8.377 9.404 1.00 0.00 C ATOM 0 H ALA A 14 -2.688 -8.307 8.254 1.00 0.00 H new ATOM 0 HA ALA A 14 0.019 -8.246 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.038 -8.980 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.393 -7.325 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.507 -8.681 10.235 1.00 0.00 H new ATOM 166 N GLY A 15 -0.144 -10.702 7.018 1.00 0.00 N ATOM 167 CA GLY A 15 -0.352 -12.112 6.741 1.00 0.00 C ATOM 168 C GLY A 15 0.696 -12.679 5.805 1.00 0.00 C ATOM 169 O GLY A 15 1.426 -11.932 5.153 1.00 0.00 O ATOM 0 H GLY A 15 0.628 -10.274 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.338 -12.669 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.340 -12.251 6.302 1.00 0.00 H new ATOM 173 N TRP A 16 0.774 -14.004 5.740 1.00 0.00 N ATOM 174 CA TRP A 16 1.742 -14.671 4.878 1.00 0.00 C ATOM 175 C TRP A 16 1.321 -14.583 3.415 1.00 0.00 C ATOM 176 O TRP A 16 0.338 -15.200 3.003 1.00 0.00 O ATOM 177 CB TRP A 16 1.898 -16.136 5.289 1.00 0.00 C ATOM 178 CG TRP A 16 2.652 -16.316 6.572 1.00 0.00 C ATOM 179 CD1 TRP A 16 2.121 -16.429 7.825 1.00 0.00 C ATOM 180 CD2 TRP A 16 4.072 -16.401 6.727 1.00 0.00 C ATOM 181 NE1 TRP A 16 3.126 -16.579 8.750 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.332 -16.567 8.101 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.150 -16.357 5.838 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.625 -16.686 8.605 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.432 -16.475 6.340 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.661 -16.638 7.712 1.00 0.00 C ATOM 0 H TRP A 16 0.178 -14.637 6.274 1.00 0.00 H new ATOM 0 HA TRP A 16 2.701 -14.165 4.992 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.910 -16.585 5.391 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.413 -16.676 4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.066 -16.404 8.055 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.995 -16.682 9.756 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.984 -16.233 4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.804 -16.812 9.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.272 -16.441 5.662 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.675 -16.728 8.072 1.00 0.00 H new ATOM 197 N LEU A 17 2.070 -13.812 2.634 1.00 0.00 N ATOM 198 CA LEU A 17 1.774 -13.644 1.215 1.00 0.00 C ATOM 199 C LEU A 17 2.941 -14.116 0.355 1.00 0.00 C ATOM 200 O LEU A 17 4.104 -13.883 0.687 1.00 0.00 O ATOM 201 CB LEU A 17 1.460 -12.178 0.910 1.00 0.00 C ATOM 202 CG LEU A 17 -0.008 -11.767 1.026 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.153 -10.260 0.884 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.847 -12.486 -0.021 1.00 0.00 C ATOM 0 H LEU A 17 2.886 -13.294 2.959 1.00 0.00 H new ATOM 0 HA LEU A 17 0.902 -14.253 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.045 -11.554 1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.799 -11.958 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.369 -12.055 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.205 -9.986 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.416 -9.764 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.225 -9.948 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.889 -12.182 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.485 -12.229 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.768 -13.563 0.127 1.00 0.00 H new ATOM 216 N PHE A 18 2.624 -14.779 -0.752 1.00 0.00 N ATOM 217 CA PHE A 18 3.647 -15.283 -1.661 1.00 0.00 C ATOM 218 C PHE A 18 4.052 -14.213 -2.670 1.00 0.00 C ATOM 219 O PHE A 18 3.230 -13.739 -3.454 1.00 0.00 O ATOM 220 CB PHE A 18 3.140 -16.526 -2.394 1.00 0.00 C ATOM 221 CG PHE A 18 3.173 -17.772 -1.556 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.416 -17.864 -0.399 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.960 -18.851 -1.925 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.446 -19.009 0.375 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.993 -19.998 -1.156 1.00 0.00 C ATOM 226 CZ PHE A 18 3.234 -20.078 -0.005 1.00 0.00 C ATOM 0 H PHE A 18 1.667 -14.980 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 18 4.523 -15.551 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.117 -16.349 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.744 -16.683 -3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.796 -17.032 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.555 -18.795 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.854 -19.068 1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.612 -20.831 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.256 -20.975 0.597 1.00 0.00 H new ATOM 236 N LYS A 19 5.326 -13.836 -2.645 1.00 0.00 N ATOM 237 CA LYS A 19 5.844 -12.823 -3.557 1.00 0.00 C ATOM 238 C LYS A 19 6.478 -13.469 -4.785 1.00 0.00 C ATOM 239 O LYS A 19 7.382 -14.295 -4.664 1.00 0.00 O ATOM 240 CB LYS A 19 6.871 -11.942 -2.843 1.00 0.00 C ATOM 241 CG LYS A 19 7.031 -10.566 -3.468 1.00 0.00 C ATOM 242 CD LYS A 19 8.233 -9.832 -2.899 1.00 0.00 C ATOM 243 CE LYS A 19 8.072 -8.324 -3.018 1.00 0.00 C ATOM 244 NZ LYS A 19 9.376 -7.615 -2.892 1.00 0.00 N ATOM 0 H LYS A 19 6.020 -14.218 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 19 5.009 -12.204 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.576 -11.826 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.836 -12.448 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.142 -10.666 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.129 -9.979 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.364 -10.104 -1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.135 -10.145 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.618 -8.082 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.390 -7.970 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.224 -6.590 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.797 -7.825 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.019 -7.934 -3.645 1.00 0.00 H new ATOM 258 N GLN A 20 5.999 -13.086 -5.964 1.00 0.00 N ATOM 259 CA GLN A 20 6.520 -13.628 -7.213 1.00 0.00 C ATOM 260 C GLN A 20 8.003 -13.306 -7.369 1.00 0.00 C ATOM 261 O GLN A 20 8.485 -12.293 -6.862 1.00 0.00 O ATOM 262 CB GLN A 20 5.737 -13.070 -8.402 1.00 0.00 C ATOM 263 CG GLN A 20 6.130 -13.689 -9.734 1.00 0.00 C ATOM 264 CD GLN A 20 5.511 -15.057 -9.947 1.00 0.00 C ATOM 265 OE1 GLN A 20 6.054 -16.072 -9.511 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.367 -15.090 -10.621 1.00 0.00 N ATOM 0 H GLN A 20 5.251 -12.402 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 20 6.403 -14.711 -7.187 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.673 -13.234 -8.235 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.889 -11.992 -8.453 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.824 -13.026 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.216 -13.774 -9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.952 -14.224 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.903 -15.982 -10.795 1.00 0.00 H new ATOM 275 N ALA A 21 8.721 -14.174 -8.073 1.00 0.00 N ATOM 276 CA ALA A 21 10.148 -13.981 -8.298 1.00 0.00 C ATOM 277 C ALA A 21 10.401 -13.184 -9.573 1.00 0.00 C ATOM 278 O ALA A 21 10.381 -13.735 -10.674 1.00 0.00 O ATOM 279 CB ALA A 21 10.859 -15.325 -8.363 1.00 0.00 C ATOM 0 H ALA A 21 8.338 -15.018 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 21 10.548 -13.411 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.924 -15.165 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.716 -15.858 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.447 -15.916 -9.181 1.00 0.00 H new ATOM 352 N GLN A 27 8.895 -18.740 -9.988 1.00 0.00 N ATOM 353 CA GLN A 27 8.408 -19.388 -8.777 1.00 0.00 C ATOM 354 C GLN A 27 7.904 -18.356 -7.773 1.00 0.00 C ATOM 355 O GLN A 27 8.038 -17.151 -7.986 1.00 0.00 O ATOM 356 CB GLN A 27 9.516 -20.232 -8.144 1.00 0.00 C ATOM 357 CG GLN A 27 10.695 -19.414 -7.644 1.00 0.00 C ATOM 358 CD GLN A 27 11.679 -20.239 -6.838 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.290 -20.982 -5.936 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.961 -20.114 -7.160 1.00 0.00 N ATOM 0 HA GLN A 27 7.577 -20.038 -9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.099 -20.799 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.872 -20.957 -8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.211 -18.970 -8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.327 -18.592 -7.030 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.238 -19.486 -7.915 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.668 -20.646 -6.653 1.00 0.00 H new ATOM 369 N TRP A 28 7.323 -18.837 -6.680 1.00 0.00 N ATOM 370 CA TRP A 28 6.797 -17.956 -5.643 1.00 0.00 C ATOM 371 C TRP A 28 7.444 -18.254 -4.295 1.00 0.00 C ATOM 372 O TRP A 28 7.509 -19.407 -3.869 1.00 0.00 O ATOM 373 CB TRP A 28 5.279 -18.107 -5.538 1.00 0.00 C ATOM 374 CG TRP A 28 4.549 -17.635 -6.759 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.578 -18.202 -8.001 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.685 -16.498 -6.855 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.783 -17.486 -8.864 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.223 -16.436 -8.185 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.254 -15.527 -5.947 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.355 -15.441 -8.626 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.392 -14.540 -6.386 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.949 -14.503 -7.715 1.00 0.00 C ATOM 0 H TRP A 28 7.204 -19.832 -6.489 1.00 0.00 H new ATOM 0 HA TRP A 28 7.035 -16.929 -5.920 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.037 -19.155 -5.361 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.924 -17.547 -4.672 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.143 -19.084 -8.266 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.634 -17.701 -9.850 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.589 -15.548 -4.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.014 -15.410 -9.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.054 -13.784 -5.693 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.274 -13.719 -8.027 1.00 0.00 H new ATOM 393 N ASN A 29 7.923 -17.209 -3.629 1.00 0.00 N ATOM 394 CA ASN A 29 8.566 -17.360 -2.329 1.00 0.00 C ATOM 395 C ASN A 29 7.668 -16.833 -1.213 1.00 0.00 C ATOM 396 O ASN A 29 7.273 -15.667 -1.218 1.00 0.00 O ATOM 397 CB ASN A 29 9.907 -16.624 -2.311 1.00 0.00 C ATOM 398 CG ASN A 29 10.910 -17.227 -3.274 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.964 -17.714 -2.866 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.587 -17.195 -4.562 1.00 0.00 N ATOM 0 H ASN A 29 7.878 -16.248 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 29 8.740 -18.422 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.747 -15.576 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.317 -16.647 -1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.224 -17.584 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.702 -16.781 -4.856 1.00 0.00 H new ATOM 407 N LYS A 30 7.350 -17.699 -0.258 1.00 0.00 N ATOM 408 CA LYS A 30 6.501 -17.323 0.866 1.00 0.00 C ATOM 409 C LYS A 30 7.216 -16.332 1.780 1.00 0.00 C ATOM 410 O LYS A 30 8.324 -16.594 2.248 1.00 0.00 O ATOM 411 CB LYS A 30 6.093 -18.564 1.662 1.00 0.00 C ATOM 412 CG LYS A 30 4.948 -18.317 2.629 1.00 0.00 C ATOM 413 CD LYS A 30 4.322 -19.620 3.097 1.00 0.00 C ATOM 414 CE LYS A 30 3.621 -19.453 4.436 1.00 0.00 C ATOM 415 NZ LYS A 30 2.814 -20.652 4.794 1.00 0.00 N ATOM 0 H LYS A 30 7.668 -18.668 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 30 5.606 -16.844 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.807 -19.353 0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.956 -18.928 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.313 -17.757 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.190 -17.701 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.607 -19.969 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.093 -20.385 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.363 -19.269 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.973 -18.577 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.352 -20.498 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.090 -20.813 4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.436 -21.484 4.854 1.00 0.00 H new ATOM 429 N ARG A 31 6.574 -15.196 2.031 1.00 0.00 N ATOM 430 CA ARG A 31 7.149 -14.167 2.889 1.00 0.00 C ATOM 431 C ARG A 31 6.066 -13.484 3.720 1.00 0.00 C ATOM 432 O ARG A 31 4.900 -13.447 3.326 1.00 0.00 O ATOM 433 CB ARG A 31 7.893 -13.128 2.048 1.00 0.00 C ATOM 434 CG ARG A 31 8.920 -12.330 2.834 1.00 0.00 C ATOM 435 CD ARG A 31 10.272 -13.028 2.853 1.00 0.00 C ATOM 436 NE ARG A 31 10.239 -14.263 3.632 1.00 0.00 N ATOM 437 CZ ARG A 31 11.079 -15.274 3.441 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.014 -15.196 2.503 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.987 -16.366 4.190 1.00 0.00 N ATOM 0 H ARG A 31 5.655 -14.965 1.652 1.00 0.00 H new ATOM 0 HA ARG A 31 7.854 -14.648 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.393 -13.633 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.169 -12.441 1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.027 -11.339 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.568 -12.188 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.579 -13.252 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.021 -12.356 3.271 1.00 0.00 H new ATOM 0 HE ARG A 31 9.533 -14.354 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.089 -14.358 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.658 -15.974 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.271 -16.429 4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.633 -17.142 4.042 1.00 0.00 H new ATOM 453 N TRP A 32 6.460 -12.946 4.868 1.00 0.00 N ATOM 454 CA TRP A 32 5.523 -12.265 5.754 1.00 0.00 C ATOM 455 C TRP A 32 5.311 -10.820 5.316 1.00 0.00 C ATOM 456 O TRP A 32 6.246 -10.019 5.316 1.00 0.00 O ATOM 457 CB TRP A 32 6.032 -12.304 7.196 1.00 0.00 C ATOM 458 CG TRP A 32 5.088 -11.676 8.176 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.275 -10.509 8.860 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.812 -12.182 8.583 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.191 -10.259 9.668 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.280 -11.270 9.515 1.00 0.00 C ATOM 463 CE3 TRP A 32 3.067 -13.316 8.248 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.038 -11.460 10.116 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.835 -13.503 8.845 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.330 -12.578 9.770 1.00 0.00 C ATOM 0 H TRP A 32 7.422 -12.968 5.207 1.00 0.00 H new ATOM 0 HA TRP A 32 4.567 -12.786 5.699 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.207 -13.341 7.484 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.993 -11.792 7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.146 -9.876 8.778 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.083 -9.452 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.447 -14.033 7.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.648 -10.750 10.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.251 -14.376 8.595 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.363 -12.752 10.218 1.00 0.00 H new ATOM 477 N PHE A 33 4.078 -10.494 4.943 1.00 0.00 N ATOM 478 CA PHE A 33 3.745 -9.145 4.501 1.00 0.00 C ATOM 479 C PHE A 33 2.907 -8.421 5.550 1.00 0.00 C ATOM 480 O PHE A 33 2.032 -9.015 6.181 1.00 0.00 O ATOM 481 CB PHE A 33 2.988 -9.193 3.172 1.00 0.00 C ATOM 482 CG PHE A 33 3.885 -9.348 1.977 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.310 -10.603 1.571 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.304 -8.239 1.260 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.135 -10.749 0.472 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.128 -8.379 0.159 1.00 0.00 C ATOM 487 CZ PHE A 33 5.545 -9.635 -0.234 1.00 0.00 C ATOM 0 H PHE A 33 3.293 -11.145 4.938 1.00 0.00 H new ATOM 0 HA PHE A 33 4.676 -8.595 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.281 -10.022 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.404 -8.279 3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.993 -11.477 2.120 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.983 -7.254 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.459 -11.733 0.166 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.445 -7.507 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.191 -9.746 -1.092 1.00 0.00 H new ATOM 497 N VAL A 34 3.181 -7.133 5.732 1.00 0.00 N ATOM 498 CA VAL A 34 2.453 -6.326 6.704 1.00 0.00 C ATOM 499 C VAL A 34 2.130 -4.946 6.142 1.00 0.00 C ATOM 500 O VAL A 34 3.009 -4.091 6.023 1.00 0.00 O ATOM 501 CB VAL A 34 3.253 -6.162 8.010 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.494 -5.287 8.996 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.562 -7.522 8.619 1.00 0.00 C ATOM 0 H VAL A 34 3.902 -6.626 5.219 1.00 0.00 H new ATOM 0 HA VAL A 34 1.524 -6.854 6.920 1.00 0.00 H new ATOM 0 HB VAL A 34 4.197 -5.670 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.075 -5.183 9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.329 -4.303 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.533 -5.747 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.128 -7.388 9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.630 -8.043 8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.150 -8.111 7.915 1.00 0.00 H new ATOM 513 N LEU A 35 0.865 -4.735 5.798 1.00 0.00 N ATOM 514 CA LEU A 35 0.425 -3.457 5.248 1.00 0.00 C ATOM 515 C LEU A 35 0.495 -2.357 6.303 1.00 0.00 C ATOM 516 O LEU A 35 -0.106 -2.468 7.371 1.00 0.00 O ATOM 517 CB LEU A 35 -1.003 -3.575 4.711 1.00 0.00 C ATOM 518 CG LEU A 35 -1.729 -2.257 4.440 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.953 -1.417 3.437 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.141 -2.519 3.940 1.00 0.00 C ATOM 0 H LEU A 35 0.126 -5.432 5.890 1.00 0.00 H new ATOM 0 HA LEU A 35 1.094 -3.192 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.975 -4.149 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.592 -4.151 5.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.794 -1.701 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.485 -0.483 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.038 -1.199 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.856 -1.966 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.643 -1.570 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.099 -3.096 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.695 -3.080 4.693 1.00 0.00 H new ATOM 532 N VAL A 36 1.231 -1.294 5.994 1.00 0.00 N ATOM 533 CA VAL A 36 1.376 -0.172 6.913 1.00 0.00 C ATOM 534 C VAL A 36 0.799 1.106 6.316 1.00 0.00 C ATOM 535 O VAL A 36 0.250 1.096 5.215 1.00 0.00 O ATOM 536 CB VAL A 36 2.854 0.067 7.278 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.519 0.967 6.248 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.969 0.662 8.673 1.00 0.00 C ATOM 0 H VAL A 36 1.736 -1.187 5.114 1.00 0.00 H new ATOM 0 HA VAL A 36 0.823 -0.429 7.816 1.00 0.00 H new ATOM 0 HB VAL A 36 3.371 -0.892 7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.562 1.125 6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.469 0.496 5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.003 1.927 6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.020 0.824 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.438 1.613 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.532 -0.024 9.398 1.00 0.00 H new ATOM 548 N ASP A 37 0.926 2.206 7.051 1.00 0.00 N ATOM 549 CA ASP A 37 0.418 3.494 6.594 1.00 0.00 C ATOM 550 C ASP A 37 0.851 3.770 5.157 1.00 0.00 C ATOM 551 O ASP A 37 2.040 3.921 4.875 1.00 0.00 O ATOM 552 CB ASP A 37 0.909 4.615 7.512 1.00 0.00 C ATOM 553 CG ASP A 37 2.421 4.697 7.567 1.00 0.00 C ATOM 554 OD1 ASP A 37 3.029 3.937 8.349 1.00 0.00 O ATOM 555 OD2 ASP A 37 2.998 5.523 6.828 1.00 0.00 O ATOM 0 H ASP A 37 1.376 2.231 7.966 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.671 3.459 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.509 5.567 7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.520 4.454 8.517 1.00 0.00 H new ATOM 560 N ARG A 38 -0.121 3.833 4.253 1.00 0.00 N ATOM 561 CA ARG A 38 0.159 4.088 2.846 1.00 0.00 C ATOM 562 C ARG A 38 1.461 3.415 2.420 1.00 0.00 C ATOM 563 O ARG A 38 2.172 3.913 1.546 1.00 0.00 O ATOM 564 CB ARG A 38 0.242 5.593 2.585 1.00 0.00 C ATOM 565 CG ARG A 38 -1.116 6.266 2.468 1.00 0.00 C ATOM 566 CD ARG A 38 -1.066 7.463 1.531 1.00 0.00 C ATOM 567 NE ARG A 38 -2.287 8.261 1.596 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.486 9.360 0.877 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.549 9.789 0.042 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.624 10.032 0.991 1.00 0.00 N ATOM 0 H ARG A 38 -1.110 3.711 4.471 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.657 3.668 2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.803 6.063 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.803 5.764 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.849 5.547 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.450 6.588 3.454 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.211 8.088 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.913 7.117 0.509 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.028 7.958 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.673 9.275 -0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.705 10.633 -0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.347 9.705 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.776 10.876 0.438 1.00 0.00 H new ATOM 584 N CYS A 39 1.767 2.283 3.044 1.00 0.00 N ATOM 585 CA CYS A 39 2.984 1.543 2.731 1.00 0.00 C ATOM 586 C CYS A 39 2.814 0.060 3.044 1.00 0.00 C ATOM 587 O CYS A 39 1.783 -0.360 3.572 1.00 0.00 O ATOM 588 CB CYS A 39 4.167 2.110 3.517 1.00 0.00 C ATOM 589 SG CYS A 39 5.070 3.415 2.652 1.00 0.00 S ATOM 0 H CYS A 39 1.189 1.858 3.769 1.00 0.00 H new ATOM 0 HA CYS A 39 3.181 1.651 1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.804 2.502 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.857 1.299 3.750 1.00 0.00 H new ATOM 0 HG CYS A 39 4.249 4.084 1.898 1.00 0.00 H new ATOM 595 N LEU A 40 3.830 -0.730 2.714 1.00 0.00 N ATOM 596 CA LEU A 40 3.793 -2.167 2.958 1.00 0.00 C ATOM 597 C LEU A 40 5.196 -2.717 3.191 1.00 0.00 C ATOM 598 O LEU A 40 6.092 -2.529 2.368 1.00 0.00 O ATOM 599 CB LEU A 40 3.140 -2.889 1.777 1.00 0.00 C ATOM 600 CG LEU A 40 3.286 -4.411 1.756 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.613 -5.028 2.972 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.704 -4.985 0.473 1.00 0.00 C ATOM 0 H LEU A 40 4.690 -0.399 2.276 1.00 0.00 H new ATOM 0 HA LEU A 40 3.200 -2.342 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.077 -2.646 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.563 -2.491 0.855 1.00 0.00 H new ATOM 0 HG LEU A 40 4.348 -4.656 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.727 -6.112 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.076 -4.641 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.553 -4.774 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.817 -6.069 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.646 -4.730 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.232 -4.567 -0.385 1.00 0.00 H new ATOM 614 N PHE A 41 5.380 -3.398 4.317 1.00 0.00 N ATOM 615 CA PHE A 41 6.675 -3.976 4.658 1.00 0.00 C ATOM 616 C PHE A 41 6.605 -5.500 4.663 1.00 0.00 C ATOM 617 O PHE A 41 5.539 -6.083 4.858 1.00 0.00 O ATOM 618 CB PHE A 41 7.139 -3.471 6.026 1.00 0.00 C ATOM 619 CG PHE A 41 7.569 -2.032 6.019 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.789 -1.662 5.477 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.753 -1.048 6.554 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.188 -0.339 5.470 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.146 0.277 6.550 1.00 0.00 C ATOM 624 CZ PHE A 41 8.365 0.632 6.006 1.00 0.00 C ATOM 0 H PHE A 41 4.649 -3.563 5.009 1.00 0.00 H new ATOM 0 HA PHE A 41 7.395 -3.665 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.329 -3.596 6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.969 -4.088 6.370 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.436 -2.417 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.798 -1.320 6.979 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.143 -0.065 5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.501 1.034 6.972 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.674 1.667 6.000 1.00 0.00 H new ATOM 634 N TYR A 42 7.750 -6.139 4.448 1.00 0.00 N ATOM 635 CA TYR A 42 7.819 -7.595 4.424 1.00 0.00 C ATOM 636 C TYR A 42 9.075 -8.092 5.134 1.00 0.00 C ATOM 637 O TYR A 42 10.139 -7.478 5.041 1.00 0.00 O ATOM 638 CB TYR A 42 7.800 -8.105 2.982 1.00 0.00 C ATOM 639 CG TYR A 42 9.058 -7.781 2.208 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.169 -8.612 2.272 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.134 -6.645 1.413 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.321 -8.320 1.567 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.281 -6.345 0.703 1.00 0.00 C ATOM 644 CZ TYR A 42 11.372 -7.186 0.784 1.00 0.00 C ATOM 645 OH TYR A 42 12.517 -6.892 0.080 1.00 0.00 O ATOM 0 H TYR A 42 8.642 -5.672 4.288 1.00 0.00 H new ATOM 0 HA TYR A 42 6.947 -7.983 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.656 -9.185 2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.944 -7.673 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.132 -9.502 2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.282 -5.985 1.348 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.177 -8.976 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.323 -5.458 0.089 1.00 0.00 H new ATOM 0 HH TYR A 42 12.287 -6.703 -0.854 1.00 0.00 H new ATOM 655 N TYR A 43 8.944 -9.208 5.842 1.00 0.00 N ATOM 656 CA TYR A 43 10.067 -9.788 6.569 1.00 0.00 C ATOM 657 C TYR A 43 10.198 -11.279 6.271 1.00 0.00 C ATOM 658 O TYR A 43 9.220 -11.944 5.930 1.00 0.00 O ATOM 659 CB TYR A 43 9.894 -9.571 8.074 1.00 0.00 C ATOM 660 CG TYR A 43 9.398 -8.189 8.433 1.00 0.00 C ATOM 661 CD1 TYR A 43 8.080 -7.819 8.196 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.247 -7.253 9.010 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.622 -6.556 8.521 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.798 -5.989 9.341 1.00 0.00 C ATOM 665 CZ TYR A 43 8.485 -5.645 9.094 1.00 0.00 C ATOM 666 OH TYR A 43 8.033 -4.387 9.421 1.00 0.00 O ATOM 0 H TYR A 43 8.071 -9.729 5.928 1.00 0.00 H new ATOM 0 HA TYR A 43 10.978 -9.288 6.238 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.194 -10.311 8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.849 -9.745 8.570 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.401 -8.531 7.750 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.276 -7.518 9.203 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.595 -6.284 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.471 -5.274 9.791 1.00 0.00 H new ATOM 0 HH TYR A 43 8.765 -3.869 9.816 1.00 0.00 H new ATOM 676 N LYS A 44 11.414 -11.797 6.403 1.00 0.00 N ATOM 677 CA LYS A 44 11.676 -13.209 6.151 1.00 0.00 C ATOM 678 C LYS A 44 10.575 -14.082 6.745 1.00 0.00 C ATOM 679 O LYS A 44 10.112 -15.031 6.112 1.00 0.00 O ATOM 680 CB LYS A 44 13.031 -13.610 6.737 1.00 0.00 C ATOM 681 CG LYS A 44 14.216 -13.056 5.965 1.00 0.00 C ATOM 682 CD LYS A 44 15.458 -13.909 6.161 1.00 0.00 C ATOM 683 CE LYS A 44 16.729 -13.089 6.001 1.00 0.00 C ATOM 684 NZ LYS A 44 17.069 -12.866 4.569 1.00 0.00 N ATOM 0 H LYS A 44 12.234 -11.260 6.683 1.00 0.00 H new ATOM 0 HA LYS A 44 11.694 -13.362 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.087 -13.265 7.769 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.100 -14.698 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.970 -13.008 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.419 -12.036 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.438 -14.360 7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.457 -14.726 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.606 -12.127 6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.555 -13.600 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.941 -12.303 4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.212 -13.783 4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.292 -12.356 4.103 1.00 0.00 H new ATOM 698 N ASP A 45 10.159 -13.753 7.963 1.00 0.00 N ATOM 699 CA ASP A 45 9.110 -14.505 8.642 1.00 0.00 C ATOM 700 C ASP A 45 8.347 -13.615 9.617 1.00 0.00 C ATOM 701 O ASP A 45 8.635 -12.425 9.741 1.00 0.00 O ATOM 702 CB ASP A 45 9.709 -15.700 9.385 1.00 0.00 C ATOM 703 CG ASP A 45 10.760 -16.424 8.566 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.904 -15.928 8.497 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.439 -17.486 7.992 1.00 0.00 O ATOM 0 H ASP A 45 10.532 -12.971 8.500 1.00 0.00 H new ATOM 0 HA ASP A 45 8.412 -14.868 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.153 -15.357 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.913 -16.397 9.647 1.00 0.00 H new ATOM 710 N GLU A 46 7.372 -14.200 10.306 1.00 0.00 N ATOM 711 CA GLU A 46 6.566 -13.458 11.269 1.00 0.00 C ATOM 712 C GLU A 46 7.446 -12.836 12.349 1.00 0.00 C ATOM 713 O GLU A 46 7.025 -11.920 13.057 1.00 0.00 O ATOM 714 CB GLU A 46 5.523 -14.376 11.910 1.00 0.00 C ATOM 715 CG GLU A 46 6.127 -15.483 12.757 1.00 0.00 C ATOM 716 CD GLU A 46 6.406 -16.742 11.959 1.00 0.00 C ATOM 717 OE1 GLU A 46 7.492 -16.831 11.350 1.00 0.00 O ATOM 718 OE2 GLU A 46 5.537 -17.640 11.945 1.00 0.00 O ATOM 0 H GLU A 46 7.121 -15.185 10.215 1.00 0.00 H new ATOM 0 HA GLU A 46 6.054 -12.657 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.856 -13.777 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.912 -14.822 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.055 -15.128 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.448 -15.720 13.577 1.00 0.00 H new ATOM 725 N LYS A 47 8.669 -13.340 12.471 1.00 0.00 N ATOM 726 CA LYS A 47 9.610 -12.835 13.464 1.00 0.00 C ATOM 727 C LYS A 47 9.875 -11.347 13.255 1.00 0.00 C ATOM 728 O LYS A 47 10.043 -10.598 14.217 1.00 0.00 O ATOM 729 CB LYS A 47 10.926 -13.613 13.392 1.00 0.00 C ATOM 730 CG LYS A 47 10.783 -15.083 13.745 1.00 0.00 C ATOM 731 CD LYS A 47 12.138 -15.753 13.904 1.00 0.00 C ATOM 732 CE LYS A 47 12.807 -15.983 12.558 1.00 0.00 C ATOM 733 NZ LYS A 47 14.122 -16.667 12.702 1.00 0.00 N ATOM 0 H LYS A 47 9.032 -14.099 11.894 1.00 0.00 H new ATOM 0 HA LYS A 47 9.167 -12.973 14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.334 -13.528 12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.647 -13.154 14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.216 -15.182 14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.214 -15.591 12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.780 -15.133 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.016 -16.706 14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.153 -16.583 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.948 -15.027 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.886 -16.006 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.243 -16.983 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.157 -17.490 12.067 1.00 0.00 H new ATOM 747 N GLU A 48 9.908 -10.928 11.994 1.00 0.00 N ATOM 748 CA GLU A 48 10.152 -9.529 11.662 1.00 0.00 C ATOM 749 C GLU A 48 11.460 -9.043 12.279 1.00 0.00 C ATOM 750 O GLU A 48 11.532 -7.938 12.815 1.00 0.00 O ATOM 751 CB GLU A 48 8.992 -8.657 12.146 1.00 0.00 C ATOM 752 CG GLU A 48 7.691 -8.906 11.402 1.00 0.00 C ATOM 753 CD GLU A 48 6.469 -8.540 12.223 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.285 -9.132 13.307 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.698 -7.663 11.782 1.00 0.00 O ATOM 0 H GLU A 48 9.769 -11.536 11.187 1.00 0.00 H new ATOM 0 HA GLU A 48 10.230 -9.448 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.833 -8.837 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.267 -7.608 12.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.689 -8.328 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.633 -9.958 11.121 1.00 0.00 H new ATOM 762 N GLU A 49 12.491 -9.878 12.199 1.00 0.00 N ATOM 763 CA GLU A 49 13.797 -9.534 12.751 1.00 0.00 C ATOM 764 C GLU A 49 14.294 -8.207 12.185 1.00 0.00 C ATOM 765 O GLU A 49 14.682 -7.308 12.931 1.00 0.00 O ATOM 766 CB GLU A 49 14.810 -10.640 12.451 1.00 0.00 C ATOM 767 CG GLU A 49 14.435 -11.987 13.047 1.00 0.00 C ATOM 768 CD GLU A 49 15.501 -13.041 12.824 1.00 0.00 C ATOM 769 OE1 GLU A 49 16.441 -13.118 13.643 1.00 0.00 O ATOM 770 OE2 GLU A 49 15.396 -13.789 11.829 1.00 0.00 O ATOM 0 H GLU A 49 12.448 -10.797 11.758 1.00 0.00 H new ATOM 0 HA GLU A 49 13.691 -9.432 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.911 -10.746 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.786 -10.341 12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.262 -11.871 14.117 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.497 -12.326 12.608 1.00 0.00 H new ATOM 777 N SER A 50 14.280 -8.092 10.861 1.00 0.00 N ATOM 778 CA SER A 50 14.733 -6.878 10.194 1.00 0.00 C ATOM 779 C SER A 50 14.053 -6.717 8.838 1.00 0.00 C ATOM 780 O SER A 50 13.884 -7.686 8.097 1.00 0.00 O ATOM 781 CB SER A 50 16.252 -6.905 10.015 1.00 0.00 C ATOM 782 OG SER A 50 16.911 -6.999 11.266 1.00 0.00 O ATOM 0 H SER A 50 13.960 -8.826 10.229 1.00 0.00 H new ATOM 0 HA SER A 50 14.463 -6.027 10.820 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.533 -7.751 9.388 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.576 -6.003 9.496 1.00 0.00 H new ATOM 0 HG SER A 50 17.881 -7.016 11.125 1.00 0.00 H new ATOM 788 N ILE A 51 13.665 -5.486 8.520 1.00 0.00 N ATOM 789 CA ILE A 51 13.004 -5.197 7.253 1.00 0.00 C ATOM 790 C ILE A 51 13.944 -5.436 6.076 1.00 0.00 C ATOM 791 O ILE A 51 15.089 -4.983 6.080 1.00 0.00 O ATOM 792 CB ILE A 51 12.495 -3.745 7.202 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.530 -3.479 8.359 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.819 -3.467 5.868 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.346 -2.009 8.668 1.00 0.00 C ATOM 0 H ILE A 51 13.797 -4.673 9.122 1.00 0.00 H new ATOM 0 HA ILE A 51 12.153 -5.874 7.179 1.00 0.00 H new ATOM 0 HB ILE A 51 13.348 -3.073 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.560 -3.916 8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.897 -3.986 9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.465 -2.436 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.533 -3.621 5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.974 -4.144 5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.649 -1.896 9.499 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.307 -1.571 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.949 -1.499 7.790 1.00 0.00 H new ATOM 807 N LEU A 52 13.451 -6.148 5.069 1.00 0.00 N ATOM 808 CA LEU A 52 14.246 -6.446 3.882 1.00 0.00 C ATOM 809 C LEU A 52 13.959 -5.444 2.768 1.00 0.00 C ATOM 810 O LEU A 52 14.875 -4.954 2.109 1.00 0.00 O ATOM 811 CB LEU A 52 13.956 -7.866 3.393 1.00 0.00 C ATOM 812 CG LEU A 52 14.455 -9.000 4.290 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.935 -10.341 3.795 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.976 -9.004 4.349 1.00 0.00 C ATOM 0 H LEU A 52 12.505 -6.530 5.050 1.00 0.00 H new ATOM 0 HA LEU A 52 15.299 -6.369 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.878 -7.974 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.402 -7.987 2.406 1.00 0.00 H new ATOM 0 HG LEU A 52 14.073 -8.835 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.300 -11.136 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.845 -10.335 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.286 -10.515 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.313 -9.817 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.379 -9.143 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.327 -8.054 4.752 1.00 0.00 H new ATOM 826 N GLY A 53 12.680 -5.142 2.566 1.00 0.00 N ATOM 827 CA GLY A 53 12.295 -4.199 1.533 1.00 0.00 C ATOM 828 C GLY A 53 11.015 -3.459 1.871 1.00 0.00 C ATOM 829 O GLY A 53 10.152 -3.987 2.572 1.00 0.00 O ATOM 0 H GLY A 53 11.904 -5.534 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.099 -3.478 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.166 -4.730 0.590 1.00 0.00 H new ATOM 833 N SER A 54 10.894 -2.233 1.374 1.00 0.00 N ATOM 834 CA SER A 54 9.712 -1.417 1.632 1.00 0.00 C ATOM 835 C SER A 54 9.000 -1.066 0.329 1.00 0.00 C ATOM 836 O SER A 54 9.611 -0.543 -0.603 1.00 0.00 O ATOM 837 CB SER A 54 10.102 -0.138 2.374 1.00 0.00 C ATOM 838 OG SER A 54 10.736 0.784 1.504 1.00 0.00 O ATOM 0 H SER A 54 11.599 -1.782 0.791 1.00 0.00 H new ATOM 0 HA SER A 54 9.029 -1.996 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.213 0.319 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.770 -0.382 3.200 1.00 0.00 H new ATOM 0 HG SER A 54 10.635 0.482 0.577 1.00 0.00 H new ATOM 844 N ILE A 55 7.705 -1.358 0.273 1.00 0.00 N ATOM 845 CA ILE A 55 6.908 -1.072 -0.913 1.00 0.00 C ATOM 846 C ILE A 55 6.013 0.143 -0.695 1.00 0.00 C ATOM 847 O ILE A 55 4.995 0.079 -0.006 1.00 0.00 O ATOM 848 CB ILE A 55 6.033 -2.277 -1.307 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.892 -3.535 -1.448 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.289 -1.990 -2.603 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.116 -4.820 -1.266 1.00 0.00 C ATOM 0 H ILE A 55 7.185 -1.793 1.036 1.00 0.00 H new ATOM 0 HA ILE A 55 7.609 -0.863 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 55 5.299 -2.447 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.358 -3.538 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.697 -3.499 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.675 -2.851 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.651 -1.116 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.007 -1.797 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.788 -5.670 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.672 -4.839 -0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.328 -4.878 -2.016 1.00 0.00 H new ATOM 863 N PRO A 56 6.398 1.277 -1.298 1.00 0.00 N ATOM 864 CA PRO A 56 5.643 2.529 -1.186 1.00 0.00 C ATOM 865 C PRO A 56 4.313 2.471 -1.929 1.00 0.00 C ATOM 866 O PRO A 56 4.266 2.617 -3.151 1.00 0.00 O ATOM 867 CB PRO A 56 6.571 3.562 -1.831 1.00 0.00 C ATOM 868 CG PRO A 56 7.418 2.776 -2.771 1.00 0.00 C ATOM 869 CD PRO A 56 7.601 1.426 -2.134 1.00 0.00 C ATOM 0 HA PRO A 56 5.382 2.757 -0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.004 4.330 -2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.178 4.071 -1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.939 2.686 -3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.379 3.265 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.672 0.635 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.512 1.383 -1.538 1.00 0.00 H new ATOM 877 N LEU A 57 3.234 2.258 -1.185 1.00 0.00 N ATOM 878 CA LEU A 57 1.901 2.181 -1.773 1.00 0.00 C ATOM 879 C LEU A 57 1.211 3.541 -1.738 1.00 0.00 C ATOM 880 O LEU A 57 0.025 3.640 -1.424 1.00 0.00 O ATOM 881 CB LEU A 57 1.053 1.147 -1.030 1.00 0.00 C ATOM 882 CG LEU A 57 1.354 -0.319 -1.344 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.469 -1.235 -0.513 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.165 -0.595 -2.829 1.00 0.00 C ATOM 0 H LEU A 57 3.256 2.135 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 57 2.007 1.875 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.183 1.302 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.004 1.338 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 57 2.394 -0.521 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.697 -2.274 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.653 -1.055 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.578 -1.033 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.383 -1.643 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.135 -0.377 -3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.841 0.037 -3.405 1.00 0.00 H new ATOM 896 N LEU A 58 1.962 4.588 -2.066 1.00 0.00 N ATOM 897 CA LEU A 58 1.423 5.943 -2.074 1.00 0.00 C ATOM 898 C LEU A 58 0.248 6.056 -3.041 1.00 0.00 C ATOM 899 O LEU A 58 -0.884 6.313 -2.631 1.00 0.00 O ATOM 900 CB LEU A 58 2.513 6.944 -2.460 1.00 0.00 C ATOM 901 CG LEU A 58 2.027 8.292 -2.995 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.048 8.931 -2.023 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.206 9.219 -3.254 1.00 0.00 C ATOM 0 H LEU A 58 2.945 4.524 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 58 1.067 6.172 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.137 7.126 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.150 6.484 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 58 1.510 8.121 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.713 9.889 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.189 8.274 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.539 9.088 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.842 10.173 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.751 9.383 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.871 8.765 -3.989 1.00 0.00 H new ATOM 915 N SER A 59 0.525 5.859 -4.326 1.00 0.00 N ATOM 916 CA SER A 59 -0.509 5.939 -5.352 1.00 0.00 C ATOM 917 C SER A 59 -0.458 4.723 -6.271 1.00 0.00 C ATOM 918 O SER A 59 -0.637 4.840 -7.484 1.00 0.00 O ATOM 919 CB SER A 59 -0.344 7.220 -6.172 1.00 0.00 C ATOM 920 OG SER A 59 -0.445 8.369 -5.348 1.00 0.00 O ATOM 0 H SER A 59 1.456 5.643 -4.682 1.00 0.00 H new ATOM 0 HA SER A 59 -1.479 5.956 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.624 7.212 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.106 7.258 -6.950 1.00 0.00 H new ATOM 0 HG SER A 59 0.316 8.962 -5.519 1.00 0.00 H new ATOM 926 N PHE A 60 -0.212 3.556 -5.685 1.00 0.00 N ATOM 927 CA PHE A 60 -0.136 2.317 -6.451 1.00 0.00 C ATOM 928 C PHE A 60 -1.532 1.798 -6.786 1.00 0.00 C ATOM 929 O PHE A 60 -2.518 2.195 -6.165 1.00 0.00 O ATOM 930 CB PHE A 60 0.640 1.256 -5.668 1.00 0.00 C ATOM 931 CG PHE A 60 2.120 1.287 -5.923 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.849 2.447 -5.713 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.783 0.156 -6.372 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.210 2.478 -5.948 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.145 0.181 -6.608 1.00 0.00 C ATOM 936 CZ PHE A 60 4.859 1.343 -6.394 1.00 0.00 C ATOM 0 H PHE A 60 -0.062 3.442 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 60 0.388 2.527 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.460 1.398 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.255 0.270 -5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.347 3.337 -5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.229 -0.756 -6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.766 3.389 -5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.650 -0.707 -6.959 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.924 1.365 -6.575 1.00 0.00 H new ATOM 946 N ARG A 61 -1.605 0.911 -7.772 1.00 0.00 N ATOM 947 CA ARG A 61 -2.879 0.338 -8.191 1.00 0.00 C ATOM 948 C ARG A 61 -2.918 -1.162 -7.916 1.00 0.00 C ATOM 949 O ARG A 61 -2.467 -1.966 -8.732 1.00 0.00 O ATOM 950 CB ARG A 61 -3.114 0.601 -9.680 1.00 0.00 C ATOM 951 CG ARG A 61 -4.452 0.086 -10.185 1.00 0.00 C ATOM 952 CD ARG A 61 -4.661 0.423 -11.653 1.00 0.00 C ATOM 953 NE ARG A 61 -5.940 -0.075 -12.153 1.00 0.00 N ATOM 954 CZ ARG A 61 -6.136 -1.326 -12.553 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.142 -2.202 -12.512 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.329 -1.703 -12.995 1.00 0.00 N ATOM 0 H ARG A 61 -0.798 0.573 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.671 0.815 -7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.054 1.674 -9.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.314 0.133 -10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.502 -0.994 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.257 0.520 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.616 1.504 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.850 -0.005 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.726 0.574 -12.197 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.224 -1.916 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.295 -3.162 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.096 -1.032 -13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.479 -2.664 -13.302 1.00 0.00 H new ATOM 970 N VAL A 62 -3.460 -1.532 -6.760 1.00 0.00 N ATOM 971 CA VAL A 62 -3.559 -2.936 -6.377 1.00 0.00 C ATOM 972 C VAL A 62 -4.926 -3.508 -6.736 1.00 0.00 C ATOM 973 O VAL A 62 -5.959 -2.931 -6.401 1.00 0.00 O ATOM 974 CB VAL A 62 -3.316 -3.124 -4.868 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.089 -4.592 -4.542 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.138 -2.278 -4.409 1.00 0.00 C ATOM 0 H VAL A 62 -3.837 -0.880 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.788 -3.471 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.204 -2.791 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.919 -4.705 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.967 -5.169 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.218 -4.956 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.980 -2.423 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.242 -2.577 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.347 -1.226 -4.606 1.00 0.00 H new ATOM 986 N ALA A 63 -4.922 -4.648 -7.420 1.00 0.00 N ATOM 987 CA ALA A 63 -6.162 -5.301 -7.823 1.00 0.00 C ATOM 988 C ALA A 63 -5.888 -6.676 -8.422 1.00 0.00 C ATOM 989 O ALA A 63 -4.820 -6.918 -8.983 1.00 0.00 O ATOM 990 CB ALA A 63 -6.917 -4.431 -8.817 1.00 0.00 C ATOM 0 H ALA A 63 -4.075 -5.138 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.778 -5.437 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.841 -4.930 -9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.153 -3.472 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.299 -4.266 -9.699 1.00 0.00 H new ATOM 996 N ALA A 64 -6.860 -7.575 -8.297 1.00 0.00 N ATOM 997 CA ALA A 64 -6.724 -8.926 -8.827 1.00 0.00 C ATOM 998 C ALA A 64 -5.937 -8.926 -10.133 1.00 0.00 C ATOM 999 O ALA A 64 -5.967 -7.954 -10.888 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.095 -9.552 -9.034 1.00 0.00 C ATOM 0 H ALA A 64 -7.750 -7.391 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.171 -9.521 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.978 -10.561 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.623 -9.595 -8.081 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.667 -8.949 -9.739 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.234 -10.023 -10.395 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.440 -10.151 -11.611 1.00 0.00 C ATOM 1008 C VAL A 65 -5.324 -10.104 -12.852 1.00 0.00 C ATOM 1009 O VAL A 65 -6.550 -10.132 -12.754 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.632 -11.462 -11.619 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.424 -11.351 -10.700 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.514 -12.633 -11.215 1.00 0.00 C ATOM 0 H VAL A 65 -5.198 -10.837 -9.781 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.750 -9.308 -11.628 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.272 -11.641 -12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.865 -12.287 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.782 -10.538 -11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.758 -11.148 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.927 -13.551 -11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.905 -12.465 -10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.343 -12.724 -11.917 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.692 -10.032 -14.020 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.422 -9.981 -15.281 1.00 0.00 C ATOM 1024 C GLN A 66 -5.465 -11.356 -15.941 1.00 0.00 C ATOM 1025 O GLN A 66 -4.609 -12.210 -15.709 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.777 -8.968 -16.227 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.323 -7.558 -16.074 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.252 -6.761 -17.361 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -4.815 -7.267 -18.395 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -5.683 -5.506 -17.306 1.00 0.00 N ATOM 0 H GLN A 66 -3.677 -10.008 -14.119 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.444 -9.668 -15.068 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.701 -8.953 -16.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.927 -9.297 -17.255 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.359 -7.608 -15.739 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.762 -7.038 -15.298 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.037 -5.127 -16.428 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.660 -4.922 -18.142 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.485 -11.576 -16.783 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.664 -12.846 -17.494 1.00 0.00 C ATOM 1041 C PRO A 67 -5.602 -13.064 -18.567 1.00 0.00 C ATOM 1042 O PRO A 67 -5.577 -14.103 -19.226 1.00 0.00 O ATOM 1043 CB PRO A 67 -8.048 -12.702 -18.133 1.00 0.00 C ATOM 1044 CG PRO A 67 -8.249 -11.233 -18.275 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.542 -10.603 -17.107 1.00 0.00 C ATOM 0 HA PRO A 67 -6.574 -13.703 -16.827 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.091 -13.203 -19.100 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.821 -13.149 -17.508 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.840 -10.873 -19.219 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.310 -10.982 -18.271 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.126 -9.629 -17.366 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.217 -10.447 -16.265 1.00 0.00 H new ATOM 1053 N SER A 68 -4.727 -12.078 -18.736 1.00 0.00 N ATOM 1054 CA SER A 68 -3.664 -12.162 -19.731 1.00 0.00 C ATOM 1055 C SER A 68 -2.299 -12.275 -19.060 1.00 0.00 C ATOM 1056 O SER A 68 -1.265 -12.044 -19.688 1.00 0.00 O ATOM 1057 CB SER A 68 -3.695 -10.936 -20.645 1.00 0.00 C ATOM 1058 OG SER A 68 -3.385 -9.755 -19.926 1.00 0.00 O ATOM 0 H SER A 68 -4.733 -11.212 -18.197 1.00 0.00 H new ATOM 0 HA SER A 68 -3.830 -13.058 -20.330 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.982 -11.067 -21.459 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.682 -10.841 -21.098 1.00 0.00 H new ATOM 0 HG SER A 68 -3.410 -8.986 -20.533 1.00 0.00 H new ATOM 1144 N LYS A 74 -3.818 -18.947 -7.847 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.144 -18.341 -7.854 1.00 0.00 C ATOM 1146 C LYS A 74 -5.220 -17.187 -6.859 1.00 0.00 C ATOM 1147 O LYS A 74 -4.229 -16.844 -6.215 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.208 -19.388 -7.520 1.00 0.00 C ATOM 1149 CG LYS A 74 -6.589 -20.267 -8.699 1.00 0.00 C ATOM 1150 CD LYS A 74 -7.876 -21.030 -8.433 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.100 -20.163 -8.680 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.219 -19.766 -10.110 1.00 0.00 N ATOM 0 HA LYS A 74 -5.331 -17.949 -8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.842 -20.019 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.100 -18.882 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.708 -19.651 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.783 -20.972 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.917 -21.910 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.883 -21.386 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.996 -20.705 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.043 -19.269 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.212 -19.546 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.631 -18.927 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.897 -20.548 -10.715 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.404 -16.594 -6.736 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.609 -15.481 -5.817 1.00 0.00 C ATOM 1168 C HIS A 75 -5.363 -14.604 -5.739 1.00 0.00 C ATOM 1169 O HIS A 75 -4.950 -14.189 -4.655 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.970 -16.001 -4.425 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.779 -17.261 -4.448 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.918 -17.410 -5.211 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.609 -18.434 -3.795 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.413 -18.621 -5.026 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.637 -19.263 -4.172 1.00 0.00 N ATOM 0 H HIS A 75 -7.235 -16.866 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.433 -14.877 -6.195 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.053 -16.178 -3.863 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.527 -15.231 -3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.813 -18.674 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.302 -19.018 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.778 -20.219 -3.845 1.00 0.00 H new ATOM 1184 N THR A 76 -4.767 -14.325 -6.894 1.00 0.00 N ATOM 1185 CA THR A 76 -3.568 -13.500 -6.956 1.00 0.00 C ATOM 1186 C THR A 76 -3.880 -12.119 -7.521 1.00 0.00 C ATOM 1187 O THR A 76 -4.694 -11.979 -8.434 1.00 0.00 O ATOM 1188 CB THR A 76 -2.476 -14.160 -7.819 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.152 -15.453 -7.295 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.224 -13.297 -7.861 1.00 0.00 C ATOM 0 H THR A 76 -5.096 -14.659 -7.800 1.00 0.00 H new ATOM 0 HA THR A 76 -3.201 -13.398 -5.935 1.00 0.00 H new ATOM 0 HB THR A 76 -2.860 -14.265 -8.834 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.968 -15.890 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.467 -13.784 -8.476 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.467 -12.324 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.839 -13.164 -6.850 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.226 -11.099 -6.973 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.434 -9.728 -7.422 1.00 0.00 C ATOM 1200 C PHE A 77 -2.110 -9.074 -7.804 1.00 0.00 C ATOM 1201 O PHE A 77 -1.042 -9.508 -7.372 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.123 -8.909 -6.328 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.565 -9.154 -4.955 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.882 -10.309 -4.260 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.723 -8.227 -4.360 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.369 -10.537 -2.996 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.208 -8.450 -3.097 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.532 -9.606 -2.414 1.00 0.00 C ATOM 0 H PHE A 77 -2.548 -11.197 -6.217 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.074 -9.755 -8.304 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.030 -7.849 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.188 -9.143 -6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.537 -11.040 -4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.467 -7.321 -4.889 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.623 -11.442 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.553 -7.721 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.131 -9.781 -1.427 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.187 -8.027 -8.619 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.996 -7.311 -9.060 1.00 0.00 C ATOM 1220 C LYS A 78 -0.991 -5.882 -8.527 1.00 0.00 C ATOM 1221 O LYS A 78 -2.046 -5.284 -8.318 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.922 -7.296 -10.589 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.100 -6.598 -11.248 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.905 -6.474 -12.750 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.818 -5.412 -13.344 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.331 -4.942 -14.671 1.00 0.00 N ATOM 0 H LYS A 78 -3.063 -7.655 -8.988 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.123 -7.831 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.000 -6.802 -10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.869 -8.322 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.015 -7.154 -11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.226 -5.606 -10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.866 -6.223 -12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.105 -7.435 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.825 -5.816 -13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.884 -4.566 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.980 -4.219 -15.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.380 -4.533 -14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.293 -5.745 -15.331 1.00 0.00 H new ATOM 1240 N ALA A 79 0.203 -5.341 -8.309 1.00 0.00 N ATOM 1241 CA ALA A 79 0.345 -3.981 -7.803 1.00 0.00 C ATOM 1242 C ALA A 79 1.322 -3.178 -8.655 1.00 0.00 C ATOM 1243 O ALA A 79 2.531 -3.400 -8.604 1.00 0.00 O ATOM 1244 CB ALA A 79 0.801 -4.003 -6.352 1.00 0.00 C ATOM 0 H ALA A 79 1.086 -5.824 -8.475 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.629 -3.495 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.903 -2.981 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.065 -4.533 -5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.763 -4.511 -6.280 1.00 0.00 H new ATOM 1250 N GLU A 80 0.789 -2.244 -9.436 1.00 0.00 N ATOM 1251 CA GLU A 80 1.616 -1.409 -10.300 1.00 0.00 C ATOM 1252 C GLU A 80 1.096 0.026 -10.328 1.00 0.00 C ATOM 1253 O GLU A 80 -0.067 0.271 -10.649 1.00 0.00 O ATOM 1254 CB GLU A 80 1.648 -1.979 -11.719 1.00 0.00 C ATOM 1255 CG GLU A 80 2.573 -1.224 -12.658 1.00 0.00 C ATOM 1256 CD GLU A 80 2.238 -1.454 -14.119 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.558 -2.457 -14.421 1.00 0.00 O ATOM 1258 OE2 GLU A 80 2.655 -0.631 -14.960 1.00 0.00 O ATOM 0 H GLU A 80 -0.210 -2.046 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 80 2.628 -1.403 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.961 -3.022 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.638 -1.966 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.515 -0.158 -12.440 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.602 -1.531 -12.473 1.00 0.00 H new ATOM 1265 N HIS A 81 1.968 0.971 -9.990 1.00 0.00 N ATOM 1266 CA HIS A 81 1.598 2.382 -9.976 1.00 0.00 C ATOM 1267 C HIS A 81 1.512 2.935 -11.396 1.00 0.00 C ATOM 1268 O HIS A 81 0.421 3.146 -11.925 1.00 0.00 O ATOM 1269 CB HIS A 81 2.611 3.189 -9.163 1.00 0.00 C ATOM 1270 CG HIS A 81 2.607 4.652 -9.483 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.715 5.458 -9.332 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.621 5.453 -9.951 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.411 6.693 -9.690 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.146 6.716 -10.071 1.00 0.00 N ATOM 0 H HIS A 81 2.935 0.785 -9.722 1.00 0.00 H new ATOM 0 HA HIS A 81 0.617 2.470 -9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.400 3.057 -8.102 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.609 2.789 -9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.610 5.154 -10.186 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.082 7.539 -9.674 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.641 7.539 -10.401 1.00 0.00 H new ATOM 1316 N ARG A 85 6.864 -0.556 -11.563 1.00 0.00 N ATOM 1317 CA ARG A 85 7.020 -1.990 -11.355 1.00 0.00 C ATOM 1318 C ARG A 85 5.674 -2.648 -11.067 1.00 0.00 C ATOM 1319 O ARG A 85 4.740 -1.997 -10.597 1.00 0.00 O ATOM 1320 CB ARG A 85 7.987 -2.257 -10.200 1.00 0.00 C ATOM 1321 CG ARG A 85 8.440 -3.705 -10.107 1.00 0.00 C ATOM 1322 CD ARG A 85 9.509 -3.887 -9.041 1.00 0.00 C ATOM 1323 NE ARG A 85 9.577 -5.266 -8.564 1.00 0.00 N ATOM 1324 CZ ARG A 85 10.574 -5.740 -7.825 1.00 0.00 C ATOM 1325 NH1 ARG A 85 11.581 -4.949 -7.479 1.00 0.00 N ATOM 1326 NH2 ARG A 85 10.565 -7.006 -7.429 1.00 0.00 N ATOM 0 HA ARG A 85 7.428 -2.422 -12.269 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.862 -1.618 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.507 -1.974 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.585 -4.341 -9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.829 -4.028 -11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.478 -3.595 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.301 -3.223 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 85 8.817 -5.900 -8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.591 -3.975 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.345 -5.315 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.792 -7.617 -7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.331 -7.368 -6.862 1.00 0.00 H new ATOM 1340 N THR A 86 5.580 -3.943 -11.353 1.00 0.00 N ATOM 1341 CA THR A 86 4.348 -4.689 -11.127 1.00 0.00 C ATOM 1342 C THR A 86 4.586 -5.874 -10.198 1.00 0.00 C ATOM 1343 O THR A 86 5.201 -6.867 -10.588 1.00 0.00 O ATOM 1344 CB THR A 86 3.750 -5.200 -12.451 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.695 -4.136 -13.407 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.355 -5.764 -12.232 1.00 0.00 C ATOM 0 H THR A 86 6.343 -4.497 -11.742 1.00 0.00 H new ATOM 0 HA THR A 86 3.643 -4.001 -10.660 1.00 0.00 H new ATOM 0 HB THR A 86 4.391 -5.996 -12.830 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.759 -3.908 -13.589 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.953 -6.119 -13.181 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.404 -6.593 -11.526 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.706 -4.985 -11.832 1.00 0.00 H new ATOM 1354 N TYR A 87 4.094 -5.764 -8.969 1.00 0.00 N ATOM 1355 CA TYR A 87 4.254 -6.827 -7.984 1.00 0.00 C ATOM 1356 C TYR A 87 3.140 -7.861 -8.112 1.00 0.00 C ATOM 1357 O TYR A 87 2.059 -7.567 -8.624 1.00 0.00 O ATOM 1358 CB TYR A 87 4.264 -6.244 -6.570 1.00 0.00 C ATOM 1359 CG TYR A 87 5.438 -5.330 -6.300 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.467 -4.036 -6.806 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.518 -5.760 -5.540 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.537 -3.197 -6.563 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.592 -4.928 -5.291 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.597 -3.648 -5.804 1.00 0.00 C ATOM 1365 OH TYR A 87 8.666 -2.817 -5.559 1.00 0.00 O ATOM 0 H TYR A 87 3.581 -4.950 -8.631 1.00 0.00 H new ATOM 0 HA TYR A 87 5.207 -7.321 -8.173 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.339 -5.691 -6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.277 -7.061 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.638 -3.680 -7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.518 -6.762 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.544 -2.194 -6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.424 -5.278 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 87 9.326 -3.287 -5.008 1.00 0.00 H new ATOM 1375 N PHE A 88 3.410 -9.074 -7.642 1.00 0.00 N ATOM 1376 CA PHE A 88 2.432 -10.154 -7.703 1.00 0.00 C ATOM 1377 C PHE A 88 2.297 -10.843 -6.349 1.00 0.00 C ATOM 1378 O PHE A 88 3.264 -11.392 -5.820 1.00 0.00 O ATOM 1379 CB PHE A 88 2.833 -11.175 -8.770 1.00 0.00 C ATOM 1380 CG PHE A 88 2.537 -10.724 -10.172 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.232 -10.663 -10.633 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.564 -10.363 -11.030 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.956 -10.249 -11.923 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.294 -9.948 -12.320 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.988 -9.892 -12.767 1.00 0.00 C ATOM 0 H PHE A 88 4.299 -9.334 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 88 1.467 -9.722 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.899 -11.382 -8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.309 -12.112 -8.580 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.421 -10.942 -9.977 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.587 -10.407 -10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.066 -10.205 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.103 -9.668 -12.978 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.775 -9.569 -13.775 1.00 0.00 H new ATOM 1395 N PHE A 89 1.091 -10.811 -5.793 1.00 0.00 N ATOM 1396 CA PHE A 89 0.829 -11.431 -4.499 1.00 0.00 C ATOM 1397 C PHE A 89 -0.278 -12.475 -4.611 1.00 0.00 C ATOM 1398 O PHE A 89 -1.353 -12.201 -5.145 1.00 0.00 O ATOM 1399 CB PHE A 89 0.440 -10.368 -3.469 1.00 0.00 C ATOM 1400 CG PHE A 89 1.433 -9.245 -3.363 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.681 -9.458 -2.801 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.118 -7.978 -3.825 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.596 -8.427 -2.701 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.029 -6.943 -3.728 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.270 -7.168 -3.167 1.00 0.00 C ATOM 0 H PHE A 89 0.279 -10.362 -6.218 1.00 0.00 H new ATOM 0 HA PHE A 89 1.742 -11.928 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.535 -9.957 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.333 -10.841 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.942 -10.441 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.149 -7.796 -4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.565 -8.605 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.770 -5.959 -4.091 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.985 -6.362 -3.093 1.00 0.00 H new ATOM 1415 N SER A 90 -0.007 -13.673 -4.103 1.00 0.00 N ATOM 1416 CA SER A 90 -0.977 -14.761 -4.150 1.00 0.00 C ATOM 1417 C SER A 90 -1.503 -15.079 -2.753 1.00 0.00 C ATOM 1418 O SER A 90 -0.733 -15.201 -1.801 1.00 0.00 O ATOM 1419 CB SER A 90 -0.345 -16.010 -4.766 1.00 0.00 C ATOM 1420 OG SER A 90 -1.140 -17.158 -4.521 1.00 0.00 O ATOM 0 H SER A 90 0.876 -13.915 -3.654 1.00 0.00 H new ATOM 0 HA SER A 90 -1.814 -14.443 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.226 -15.869 -5.840 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.652 -16.159 -4.351 1.00 0.00 H new ATOM 0 HG SER A 90 -0.715 -17.943 -4.926 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.820 -15.213 -2.640 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.450 -15.520 -1.362 1.00 0.00 C ATOM 1428 C ALA A 91 -3.920 -16.970 -1.315 1.00 0.00 C ATOM 1429 O ALA A 91 -4.536 -17.463 -2.259 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.617 -14.577 -1.109 1.00 0.00 C ATOM 0 H ALA A 91 -3.472 -15.114 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.707 -15.381 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.078 -14.818 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.256 -13.549 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.354 -14.688 -1.905 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.624 -17.647 -0.210 1.00 0.00 N ATOM 1437 CA GLU A 92 -4.016 -19.042 -0.042 1.00 0.00 C ATOM 1438 C GLU A 92 -5.524 -19.207 -0.205 1.00 0.00 C ATOM 1439 O GLU A 92 -5.992 -20.175 -0.805 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.581 -19.555 1.332 1.00 0.00 C ATOM 1441 CG GLU A 92 -2.101 -19.362 1.614 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.614 -20.200 2.780 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -2.108 -19.989 3.908 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.741 -21.066 2.566 1.00 0.00 O ATOM 0 H GLU A 92 -3.115 -17.253 0.581 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.519 -19.628 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.158 -19.042 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.821 -20.616 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.529 -19.619 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.909 -18.310 1.823 1.00 0.00 H new ATOM 1451 N SER A 93 -6.279 -18.255 0.333 1.00 0.00 N ATOM 1452 CA SER A 93 -7.734 -18.296 0.251 1.00 0.00 C ATOM 1453 C SER A 93 -8.269 -17.096 -0.524 1.00 0.00 C ATOM 1454 O SER A 93 -7.663 -16.025 -0.556 1.00 0.00 O ATOM 1455 CB SER A 93 -8.344 -18.325 1.654 1.00 0.00 C ATOM 1456 OG SER A 93 -8.029 -19.533 2.323 1.00 0.00 O ATOM 0 H SER A 93 -5.907 -17.446 0.830 1.00 0.00 H new ATOM 0 HA SER A 93 -8.018 -19.205 -0.280 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.974 -17.478 2.232 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.426 -18.215 1.586 1.00 0.00 H new ATOM 0 HG SER A 93 -8.429 -19.525 3.218 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.434 -17.278 -1.164 1.00 0.00 N ATOM 1463 CA PRO A 94 -10.077 -16.222 -1.951 1.00 0.00 C ATOM 1464 C PRO A 94 -10.622 -15.097 -1.077 1.00 0.00 C ATOM 1465 O PRO A 94 -10.921 -14.009 -1.566 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.223 -16.953 -2.657 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.523 -18.120 -1.781 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.212 -18.528 -1.170 1.00 0.00 C ATOM 0 HA PRO A 94 -9.377 -15.739 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.094 -16.308 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.932 -17.273 -3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.246 -17.853 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.957 -18.938 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.344 -18.924 -0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.720 -19.305 -1.756 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.747 -15.369 0.218 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.256 -14.378 1.160 1.00 0.00 C ATOM 1478 C GLU A 95 -10.173 -13.366 1.523 1.00 0.00 C ATOM 1479 O GLU A 95 -10.465 -12.205 1.806 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.773 -15.064 2.426 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.707 -15.847 3.174 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.212 -16.416 4.485 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.837 -15.661 5.259 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.984 -17.618 4.736 1.00 0.00 O ATOM 0 H GLU A 95 -10.503 -16.266 0.639 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.079 -13.848 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.192 -14.310 3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.586 -15.739 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.350 -16.661 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.854 -15.197 3.369 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.922 -13.817 1.514 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.796 -12.951 1.844 1.00 0.00 C ATOM 1493 C GLU A 96 -7.444 -12.045 0.668 1.00 0.00 C ATOM 1494 O GLU A 96 -7.134 -10.868 0.850 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.578 -13.789 2.239 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.559 -14.181 3.707 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.600 -15.319 3.995 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.513 -16.247 3.164 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.936 -15.283 5.052 1.00 0.00 O ATOM 0 H GLU A 96 -8.663 -14.776 1.282 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.087 -12.326 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.556 -14.693 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.672 -13.228 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.279 -13.315 4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.564 -14.471 4.015 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.493 -12.603 -0.537 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.178 -11.846 -1.742 1.00 0.00 C ATOM 1508 C GLN A 97 -7.922 -10.515 -1.759 1.00 0.00 C ATOM 1509 O GLN A 97 -7.312 -9.454 -1.890 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.534 -12.659 -2.988 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.344 -11.894 -4.288 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.293 -12.351 -5.379 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.462 -12.637 -5.120 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.793 -12.423 -6.607 1.00 0.00 N ATOM 0 H GLN A 97 -7.748 -13.576 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.107 -11.643 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.919 -13.559 -3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.572 -12.984 -2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.493 -10.830 -4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.317 -12.017 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.818 -12.176 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.384 -12.725 -7.381 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.243 -10.579 -1.626 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.069 -9.377 -1.627 1.00 0.00 C ATOM 1525 C GLU A 98 -9.702 -8.463 -0.462 1.00 0.00 C ATOM 1526 O GLU A 98 -9.383 -7.291 -0.655 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.551 -9.751 -1.550 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.099 -10.337 -2.840 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.492 -9.271 -3.844 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.267 -8.364 -3.473 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -12.026 -9.343 -5.000 1.00 0.00 O ATOM 0 H GLU A 98 -9.764 -11.449 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.885 -8.841 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.694 -10.471 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.128 -8.863 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.349 -10.991 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.968 -10.956 -2.614 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.751 -9.010 0.749 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.423 -8.245 1.946 1.00 0.00 C ATOM 1540 C ALA A 99 -8.180 -7.389 1.727 1.00 0.00 C ATOM 1541 O ALA A 99 -8.163 -6.205 2.064 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.221 -9.179 3.130 1.00 0.00 C ATOM 0 H ALA A 99 -10.014 -9.979 0.927 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.258 -7.578 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.977 -8.594 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.136 -9.744 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.405 -9.869 2.914 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.143 -7.995 1.161 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.895 -7.287 0.898 1.00 0.00 C ATOM 1550 C TRP A 100 -6.096 -6.201 -0.153 1.00 0.00 C ATOM 1551 O TRP A 100 -5.966 -5.012 0.138 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.816 -8.268 0.435 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.081 -8.919 1.567 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.314 -10.159 2.091 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.994 -8.363 2.316 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.438 -10.407 3.120 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.617 -9.321 3.278 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.302 -7.151 2.267 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.581 -9.102 4.180 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.273 -6.934 3.163 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.920 -7.906 4.109 1.00 0.00 C ATOM 0 H TRP A 100 -7.141 -8.974 0.875 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.573 -6.814 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.277 -9.040 -0.181 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.102 -7.740 -0.197 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.075 -10.844 1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.404 -11.261 3.676 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.567 -6.396 1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.308 -9.849 4.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.732 -6.000 3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.110 -7.707 4.795 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.415 -6.617 -1.374 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.635 -5.679 -2.467 1.00 0.00 C ATOM 1574 C ILE A 101 -7.290 -4.396 -1.966 1.00 0.00 C ATOM 1575 O ILE A 101 -6.954 -3.300 -2.416 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.517 -6.295 -3.569 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.774 -7.434 -4.270 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -7.932 -5.230 -4.573 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.677 -8.333 -5.085 1.00 0.00 C ATOM 0 H ILE A 101 -6.527 -7.598 -1.631 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.656 -5.446 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.417 -6.702 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.010 -7.011 -4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.257 -8.034 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.555 -5.681 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.496 -4.449 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.043 -4.796 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.083 -9.118 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.425 -8.785 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.175 -7.746 -5.856 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.224 -4.540 -1.032 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.925 -3.392 -0.469 1.00 0.00 C ATOM 1593 C GLN A 102 -8.069 -2.694 0.583 1.00 0.00 C ATOM 1594 O GLN A 102 -7.917 -1.473 0.563 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.254 -3.831 0.147 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.135 -4.621 -0.807 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.610 -4.488 -0.484 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.008 -3.649 0.324 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.432 -5.318 -1.117 1.00 0.00 N ATOM 0 H GLN A 102 -8.513 -5.440 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.123 -2.687 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.053 -4.438 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.798 -2.949 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.958 -4.279 -1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.852 -5.673 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.059 -5.998 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.436 -5.275 -0.941 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.512 -3.478 1.500 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.670 -2.935 2.559 1.00 0.00 C ATOM 1610 C ALA A 103 -5.485 -2.169 1.981 1.00 0.00 C ATOM 1611 O ALA A 103 -5.280 -0.997 2.293 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.185 -4.051 3.472 1.00 0.00 C ATOM 0 H ALA A 103 -7.629 -4.491 1.531 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.269 -2.237 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.557 -3.631 4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.042 -4.552 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.607 -4.770 2.892 1.00 0.00 H new ATOM 1618 N MET A 104 -4.709 -2.840 1.136 1.00 0.00 N ATOM 1619 CA MET A 104 -3.544 -2.221 0.514 1.00 0.00 C ATOM 1620 C MET A 104 -3.966 -1.245 -0.579 1.00 0.00 C ATOM 1621 O MET A 104 -3.422 -0.147 -0.689 1.00 0.00 O ATOM 1622 CB MET A 104 -2.622 -3.293 -0.072 1.00 0.00 C ATOM 1623 CG MET A 104 -3.259 -4.093 -1.197 1.00 0.00 C ATOM 1624 SD MET A 104 -2.629 -5.780 -1.291 1.00 0.00 S ATOM 1625 CE MET A 104 -0.874 -5.499 -1.076 1.00 0.00 C ATOM 0 H MET A 104 -4.865 -3.811 0.866 1.00 0.00 H new ATOM 0 HA MET A 104 -3.004 -1.668 1.282 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.715 -2.817 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.321 -3.975 0.723 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.339 -4.120 -1.052 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.077 -3.588 -2.145 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.317 -6.334 -1.502 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.589 -4.577 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.646 -5.416 -0.013 1.00 0.00 H new ATOM 1635 N GLY A 105 -4.940 -1.653 -1.387 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.418 -0.802 -2.461 1.00 0.00 C ATOM 1637 C GLY A 105 -5.845 0.567 -1.970 1.00 0.00 C ATOM 1638 O GLY A 105 -5.385 1.588 -2.481 1.00 0.00 O ATOM 0 H GLY A 105 -5.406 -2.557 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.632 -0.688 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.260 -1.286 -2.956 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.729 0.589 -0.977 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.219 1.844 -0.419 1.00 0.00 C ATOM 1644 C GLU A 106 -6.060 2.740 0.006 1.00 0.00 C ATOM 1645 O GLU A 106 -6.069 3.945 -0.243 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.134 1.573 0.777 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.400 1.521 2.106 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.340 1.391 3.288 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.153 0.442 3.298 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.264 2.238 4.202 1.00 0.00 O ATOM 0 H GLU A 106 -7.120 -0.247 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.788 2.359 -1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.897 2.350 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.652 0.627 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.709 0.678 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.801 2.424 2.221 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.062 2.142 0.650 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.895 2.885 1.109 1.00 0.00 C ATOM 1659 C ALA A 107 -3.283 3.700 -0.024 1.00 0.00 C ATOM 1660 O ALA A 107 -2.644 4.726 0.211 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.862 1.934 1.696 1.00 0.00 C ATOM 0 H ALA A 107 -5.039 1.145 0.865 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.218 3.578 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.996 2.502 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.298 1.399 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.552 1.219 0.934 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.481 3.238 -1.255 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.950 3.926 -2.424 1.00 0.00 C ATOM 1669 C ALA A 108 -3.786 5.154 -2.766 1.00 0.00 C ATOM 1670 O ALA A 108 -3.248 6.207 -3.109 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.891 2.977 -3.613 1.00 0.00 C ATOM 0 H ALA A 108 -4.006 2.390 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.940 4.261 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.492 3.504 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.245 2.133 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.894 2.614 -3.839 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.104 5.012 -2.672 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.014 6.110 -2.973 1.00 0.00 C ATOM 1679 C ARG A 109 -5.589 7.384 -2.248 1.00 0.00 C ATOM 1680 O ARG A 109 -4.878 7.331 -1.245 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.444 5.738 -2.577 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.219 5.037 -3.681 1.00 0.00 C ATOM 1683 CD ARG A 109 -8.117 3.525 -3.559 1.00 0.00 C ATOM 1684 NE ARG A 109 -9.224 2.962 -2.789 1.00 0.00 N ATOM 1685 CZ ARG A 109 -9.614 1.696 -2.881 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -8.990 0.865 -3.705 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -10.629 1.258 -2.148 1.00 0.00 N ATOM 0 H ARG A 109 -5.565 4.147 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.977 6.295 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.413 5.092 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.979 6.643 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.266 5.337 -3.639 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.836 5.351 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.105 3.081 -4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.173 3.263 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.725 3.575 -2.146 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -8.209 1.198 -4.270 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.291 -0.107 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.111 1.894 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -10.928 0.285 -2.220 1.00 0.00 H new