USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 714 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 90 ASN : amide:sc= 0 K(o=-2,f=-3.6) USER MOD Set 1.2: A 93 MET CE :methyl 138:sc= -2.03! (180deg=-2.29!) USER MOD Set 2.1: A 22 CYS SG : rot 180:sc= -1.95 USER MOD Set 2.2: A 78 MET CE :methyl 176:sc= -0.537 (180deg=-0.0907) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 0.0375 (180deg=0.00189) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.00119 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.25 F(o=-3.5!,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 90:sc= -0.625 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0.387 (180deg=0.382) USER MOD Single : A 37 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.065) USER MOD Single : A 47 TYR OH : rot 91:sc= 0.0661 USER MOD Single : A 48 THR OG1 : rot -79:sc= 0.865 USER MOD Single : A 54 SER OG : rot 69:sc= 0.0617 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 0.434 (180deg=0.409) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.038 (180deg=-0.231) USER MOD Single : A 77 THR OG1 : rot 41:sc= 0.0629 USER MOD Single : A 80 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.075) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0346 (180deg=-0.379) USER MOD Single : A 88 SER OG : rot -80:sc= -1.98! USER MOD Single : A 89 ASN : amide:sc= 0.808 K(o=0.81,f=-4.6!) USER MOD Single : A 98 LYS NZ :NH3+ -123:sc= 0.0304 (180deg=-0.246) USER MOD Single : A 99 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 10.976 -3.463 3.772 1.00 0.00 N ATOM 84 CA PHE A 11 10.867 -3.358 2.310 1.00 0.00 C ATOM 85 C PHE A 11 9.401 -3.073 1.894 1.00 0.00 C ATOM 86 O PHE A 11 9.083 -3.039 0.710 1.00 0.00 O ATOM 87 CB PHE A 11 11.390 -4.657 1.646 1.00 0.00 C ATOM 88 CG PHE A 11 12.841 -4.991 1.997 1.00 0.00 C ATOM 89 CD1 PHE A 11 13.897 -4.392 1.313 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.147 -5.898 3.012 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.208 -4.694 1.624 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.461 -6.199 3.324 1.00 0.00 C ATOM 93 CZ PHE A 11 15.490 -5.595 2.631 1.00 0.00 C ATOM 0 HA PHE A 11 11.480 -2.524 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.753 -5.489 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.301 -4.562 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.687 -3.681 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.347 -6.372 3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.014 -4.225 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.681 -6.907 4.110 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.516 -5.827 2.876 1.00 0.00 H new ATOM 103 N VAL A 12 8.515 -2.880 2.890 1.00 0.00 N ATOM 104 CA VAL A 12 7.098 -2.543 2.691 1.00 0.00 C ATOM 105 C VAL A 12 6.845 -1.110 3.189 1.00 0.00 C ATOM 106 O VAL A 12 7.380 -0.705 4.231 1.00 0.00 O ATOM 107 CB VAL A 12 6.166 -3.544 3.479 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.666 -3.294 3.185 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.548 -5.011 3.184 1.00 0.00 C ATOM 0 H VAL A 12 8.773 -2.956 3.874 1.00 0.00 H new ATOM 0 HA VAL A 12 6.866 -2.619 1.629 1.00 0.00 H new ATOM 0 HB VAL A 12 6.324 -3.358 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.061 -4.005 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.402 -2.279 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.478 -3.422 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.889 -5.678 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.444 -5.206 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.581 -5.186 3.486 1.00 0.00 H new ATOM 119 N VAL A 13 6.061 -0.333 2.434 1.00 0.00 N ATOM 120 CA VAL A 13 5.574 0.991 2.875 1.00 0.00 C ATOM 121 C VAL A 13 4.080 0.931 3.217 1.00 0.00 C ATOM 122 O VAL A 13 3.392 -0.046 2.892 1.00 0.00 O ATOM 123 CB VAL A 13 5.821 2.098 1.786 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.329 2.311 1.545 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.080 1.764 0.466 1.00 0.00 C ATOM 0 H VAL A 13 5.743 -0.598 1.502 1.00 0.00 H new ATOM 0 HA VAL A 13 6.140 1.259 3.767 1.00 0.00 H new ATOM 0 HB VAL A 13 5.410 3.034 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.471 3.082 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.805 2.623 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.778 1.379 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.271 2.548 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.439 0.810 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.009 1.698 0.657 1.00 0.00 H new ATOM 135 N LYS A 14 3.576 2.008 3.848 1.00 0.00 N ATOM 136 CA LYS A 14 2.166 2.143 4.212 1.00 0.00 C ATOM 137 C LYS A 14 1.589 3.321 3.456 1.00 0.00 C ATOM 138 O LYS A 14 2.081 4.437 3.574 1.00 0.00 O ATOM 139 CB LYS A 14 1.988 2.362 5.728 1.00 0.00 C ATOM 140 CG LYS A 14 0.530 2.275 6.228 1.00 0.00 C ATOM 141 CD LYS A 14 0.465 2.299 7.770 1.00 0.00 C ATOM 142 CE LYS A 14 -0.847 1.738 8.331 1.00 0.00 C ATOM 143 NZ LYS A 14 -0.720 1.418 9.773 1.00 0.00 N ATOM 0 H LYS A 14 4.145 2.810 4.118 1.00 0.00 H new ATOM 0 HA LYS A 14 1.646 1.222 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.585 1.621 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.389 3.341 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.046 3.108 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.070 1.360 5.856 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.299 1.723 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.591 3.325 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.647 2.464 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.127 0.840 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.467 0.748 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.211 0.991 9.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.815 2.290 10.332 1.00 0.00 H new ATOM 157 N VAL A 15 0.544 3.057 2.707 1.00 0.00 N ATOM 158 CA VAL A 15 -0.100 4.020 1.827 1.00 0.00 C ATOM 159 C VAL A 15 -1.507 4.269 2.370 1.00 0.00 C ATOM 160 O VAL A 15 -2.151 3.337 2.839 1.00 0.00 O ATOM 161 CB VAL A 15 -0.135 3.466 0.352 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.906 4.398 -0.605 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.307 3.227 -0.162 1.00 0.00 C ATOM 0 H VAL A 15 0.100 2.139 2.689 1.00 0.00 H new ATOM 0 HA VAL A 15 0.452 4.959 1.800 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.671 2.517 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.902 3.973 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.935 4.504 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.427 5.377 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.271 2.844 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.859 4.167 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.807 2.502 0.480 1.00 0.00 H new ATOM 173 N ARG A 16 -1.942 5.528 2.360 1.00 0.00 N ATOM 174 CA ARG A 16 -3.306 5.910 2.775 1.00 0.00 C ATOM 175 C ARG A 16 -3.738 7.166 2.023 1.00 0.00 C ATOM 176 O ARG A 16 -2.896 7.904 1.502 1.00 0.00 O ATOM 177 CB ARG A 16 -3.421 6.100 4.315 1.00 0.00 C ATOM 178 CG ARG A 16 -2.400 7.076 4.919 1.00 0.00 C ATOM 179 CD ARG A 16 -2.639 7.369 6.409 1.00 0.00 C ATOM 180 NE ARG A 16 -2.564 6.161 7.258 1.00 0.00 N ATOM 181 CZ ARG A 16 -2.019 6.117 8.480 1.00 0.00 C ATOM 182 NH1 ARG A 16 -1.427 7.193 8.998 1.00 0.00 N ATOM 183 NH2 ARG A 16 -2.068 4.997 9.176 1.00 0.00 N ATOM 0 H ARG A 16 -1.366 6.317 2.066 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.981 5.094 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.425 6.454 4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.305 5.129 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.398 6.665 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.432 8.013 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.901 8.094 6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.619 7.830 6.530 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.957 5.297 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.386 8.060 8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.015 7.149 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.519 4.171 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.655 4.957 10.108 1.00 0.00 H new ATOM 197 N GLY A 17 -5.055 7.409 1.993 1.00 0.00 N ATOM 198 CA GLY A 17 -5.635 8.445 1.136 1.00 0.00 C ATOM 199 C GLY A 17 -6.102 7.873 -0.198 1.00 0.00 C ATOM 200 O GLY A 17 -6.300 8.608 -1.174 1.00 0.00 O ATOM 0 H GLY A 17 -5.738 6.900 2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.477 8.912 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.897 9.227 0.959 1.00 0.00 H new ATOM 204 N LEU A 18 -6.274 6.543 -0.226 1.00 0.00 N ATOM 205 CA LEU A 18 -6.792 5.809 -1.384 1.00 0.00 C ATOM 206 C LEU A 18 -8.327 5.754 -1.281 1.00 0.00 C ATOM 207 O LEU A 18 -8.835 5.371 -0.231 1.00 0.00 O ATOM 208 CB LEU A 18 -6.218 4.363 -1.417 1.00 0.00 C ATOM 209 CG LEU A 18 -4.661 4.245 -1.425 1.00 0.00 C ATOM 210 CD1 LEU A 18 -4.217 2.767 -1.386 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.047 4.989 -2.635 1.00 0.00 C ATOM 0 H LEU A 18 -6.053 5.941 0.567 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.491 6.318 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.599 3.822 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.605 3.860 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.285 4.727 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.128 2.714 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.598 2.296 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.611 2.246 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.962 4.888 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.432 4.559 -3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.314 6.045 -2.587 1.00 0.00 H new ATOM 223 N PRO A 19 -9.092 6.159 -2.339 1.00 0.00 N ATOM 224 CA PRO A 19 -10.570 5.982 -2.364 1.00 0.00 C ATOM 225 C PRO A 19 -10.978 4.483 -2.284 1.00 0.00 C ATOM 226 O PRO A 19 -10.167 3.591 -2.555 1.00 0.00 O ATOM 227 CB PRO A 19 -10.987 6.638 -3.715 1.00 0.00 C ATOM 228 CG PRO A 19 -9.733 6.657 -4.544 1.00 0.00 C ATOM 229 CD PRO A 19 -8.597 6.841 -3.566 1.00 0.00 C ATOM 0 HA PRO A 19 -11.067 6.437 -1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.775 6.066 -4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.374 7.646 -3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.620 5.729 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.758 7.468 -5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.674 6.392 -3.932 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.388 7.895 -3.385 1.00 0.00 H new ATOM 237 N TRP A 20 -12.247 4.225 -1.916 1.00 0.00 N ATOM 238 CA TRP A 20 -12.773 2.850 -1.709 1.00 0.00 C ATOM 239 C TRP A 20 -12.934 2.109 -3.048 1.00 0.00 C ATOM 240 O TRP A 20 -12.908 0.878 -3.092 1.00 0.00 O ATOM 241 CB TRP A 20 -14.126 2.885 -0.956 1.00 0.00 C ATOM 242 CG TRP A 20 -14.028 3.385 0.469 1.00 0.00 C ATOM 243 CD1 TRP A 20 -13.913 2.623 1.599 1.00 0.00 C ATOM 244 CD2 TRP A 20 -14.046 4.751 0.914 1.00 0.00 C ATOM 245 NE1 TRP A 20 -13.851 3.426 2.707 1.00 0.00 N ATOM 246 CE2 TRP A 20 -13.934 4.732 2.316 1.00 0.00 C ATOM 247 CE3 TRP A 20 -14.144 5.985 0.261 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -13.914 5.898 3.081 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -14.131 7.144 1.016 1.00 0.00 C ATOM 250 CH2 TRP A 20 -14.018 7.093 2.413 1.00 0.00 C ATOM 0 H TRP A 20 -12.939 4.956 -1.753 1.00 0.00 H new ATOM 0 HA TRP A 20 -12.048 2.309 -1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.819 3.521 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -14.552 1.882 -0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -13.876 1.544 1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -13.758 3.101 3.669 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.228 6.032 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -13.820 5.862 4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -14.209 8.102 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -14.013 8.015 2.976 1.00 0.00 H new ATOM 261 N SER A 21 -13.090 2.886 -4.130 1.00 0.00 N ATOM 262 CA SER A 21 -13.229 2.363 -5.495 1.00 0.00 C ATOM 263 C SER A 21 -11.848 2.039 -6.120 1.00 0.00 C ATOM 264 O SER A 21 -11.784 1.474 -7.217 1.00 0.00 O ATOM 265 CB SER A 21 -13.985 3.403 -6.357 1.00 0.00 C ATOM 266 OG SER A 21 -15.194 3.809 -5.725 1.00 0.00 O ATOM 0 H SER A 21 -13.123 3.904 -4.080 1.00 0.00 H new ATOM 0 HA SER A 21 -13.794 1.432 -5.460 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.349 4.272 -6.525 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.207 2.977 -7.335 1.00 0.00 H new ATOM 0 HG SER A 21 -15.652 4.467 -6.288 1.00 0.00 H new ATOM 272 N CYS A 22 -10.749 2.386 -5.410 1.00 0.00 N ATOM 273 CA CYS A 22 -9.376 2.186 -5.904 1.00 0.00 C ATOM 274 C CYS A 22 -8.994 0.706 -5.787 1.00 0.00 C ATOM 275 O CYS A 22 -8.993 0.144 -4.682 1.00 0.00 O ATOM 276 CB CYS A 22 -8.380 3.047 -5.100 1.00 0.00 C ATOM 277 SG CYS A 22 -6.660 2.847 -5.599 1.00 0.00 S ATOM 0 H CYS A 22 -10.794 2.810 -4.483 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.334 2.490 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.657 4.096 -5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -8.471 2.797 -4.043 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.904 3.611 -4.868 1.00 0.00 H new ATOM 283 N SER A 23 -8.667 0.089 -6.929 1.00 0.00 N ATOM 284 CA SER A 23 -8.302 -1.330 -7.014 1.00 0.00 C ATOM 285 C SER A 23 -6.760 -1.457 -7.055 1.00 0.00 C ATOM 286 O SER A 23 -6.049 -0.435 -7.090 1.00 0.00 O ATOM 287 CB SER A 23 -8.961 -1.966 -8.267 1.00 0.00 C ATOM 288 OG SER A 23 -8.821 -3.378 -8.267 1.00 0.00 O ATOM 0 H SER A 23 -8.648 0.567 -7.830 1.00 0.00 H new ATOM 0 HA SER A 23 -8.667 -1.866 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.019 -1.704 -8.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.506 -1.554 -9.168 1.00 0.00 H new ATOM 0 HG SER A 23 -9.248 -3.749 -9.068 1.00 0.00 H new ATOM 294 N ALA A 24 -6.259 -2.705 -7.022 1.00 0.00 N ATOM 295 CA ALA A 24 -4.805 -3.010 -7.023 1.00 0.00 C ATOM 296 C ALA A 24 -4.069 -2.367 -8.220 1.00 0.00 C ATOM 297 O ALA A 24 -2.987 -1.793 -8.058 1.00 0.00 O ATOM 298 CB ALA A 24 -4.597 -4.533 -6.999 1.00 0.00 C ATOM 0 H ALA A 24 -6.848 -3.537 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.370 -2.572 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.530 -4.755 -7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.053 -4.948 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.060 -4.977 -7.880 1.00 0.00 H new ATOM 304 N ASP A 25 -4.689 -2.454 -9.406 1.00 0.00 N ATOM 305 CA ASP A 25 -4.156 -1.876 -10.660 1.00 0.00 C ATOM 306 C ASP A 25 -3.988 -0.342 -10.559 1.00 0.00 C ATOM 307 O ASP A 25 -2.991 0.191 -11.037 1.00 0.00 O ATOM 308 CB ASP A 25 -5.084 -2.253 -11.848 1.00 0.00 C ATOM 309 CG ASP A 25 -4.549 -1.828 -13.230 1.00 0.00 C ATOM 310 OD1 ASP A 25 -4.821 -0.694 -13.681 1.00 0.00 O ATOM 311 OD2 ASP A 25 -3.868 -2.636 -13.889 1.00 0.00 O ATOM 0 H ASP A 25 -5.582 -2.931 -9.529 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.165 -2.295 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.236 -3.332 -11.847 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.060 -1.793 -11.692 1.00 0.00 H new ATOM 316 N GLU A 26 -4.946 0.346 -9.907 1.00 0.00 N ATOM 317 CA GLU A 26 -4.912 1.822 -9.731 1.00 0.00 C ATOM 318 C GLU A 26 -3.642 2.262 -8.965 1.00 0.00 C ATOM 319 O GLU A 26 -2.928 3.187 -9.383 1.00 0.00 O ATOM 320 CB GLU A 26 -6.172 2.295 -8.960 1.00 0.00 C ATOM 321 CG GLU A 26 -7.519 1.987 -9.639 1.00 0.00 C ATOM 322 CD GLU A 26 -7.685 2.678 -11.001 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.850 3.919 -11.032 1.00 0.00 O ATOM 324 OE2 GLU A 26 -7.658 1.991 -12.045 1.00 0.00 O ATOM 0 H GLU A 26 -5.763 -0.097 -9.488 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.896 2.279 -10.721 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.168 1.832 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.100 3.372 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.613 0.909 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.330 2.298 -8.980 1.00 0.00 H new ATOM 331 N VAL A 27 -3.361 1.541 -7.867 1.00 0.00 N ATOM 332 CA VAL A 27 -2.214 1.823 -6.979 1.00 0.00 C ATOM 333 C VAL A 27 -0.902 1.430 -7.694 1.00 0.00 C ATOM 334 O VAL A 27 0.144 2.068 -7.514 1.00 0.00 O ATOM 335 CB VAL A 27 -2.349 1.048 -5.616 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.182 1.355 -4.638 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.709 1.341 -4.948 1.00 0.00 C ATOM 0 H VAL A 27 -3.922 0.744 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.199 2.889 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.296 -0.015 -5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.325 0.795 -3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.237 1.064 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.164 2.422 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.778 0.794 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.796 2.410 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.515 1.026 -5.611 1.00 0.00 H new ATOM 347 N GLN A 28 -1.011 0.388 -8.543 1.00 0.00 N ATOM 348 CA GLN A 28 0.102 -0.143 -9.341 1.00 0.00 C ATOM 349 C GLN A 28 0.596 0.899 -10.354 1.00 0.00 C ATOM 350 O GLN A 28 1.801 1.059 -10.537 1.00 0.00 O ATOM 351 CB GLN A 28 -0.328 -1.456 -10.065 1.00 0.00 C ATOM 352 CG GLN A 28 0.819 -2.192 -10.788 1.00 0.00 C ATOM 353 CD GLN A 28 1.954 -2.633 -9.860 1.00 0.00 C ATOM 354 OE1 GLN A 28 1.627 -3.003 -8.626 1.00 0.00 O flip ATOM 355 NE2 GLN A 28 3.116 -2.664 -10.252 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.888 -0.112 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 28 0.927 -0.373 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.772 -2.131 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.105 -1.218 -10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.414 -3.069 -11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.227 -1.540 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.341 -2.375 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.857 -2.979 -9.626 1.00 0.00 H new ATOM 364 N ARG A 29 -0.348 1.594 -11.013 1.00 0.00 N ATOM 365 CA ARG A 29 -0.024 2.664 -11.973 1.00 0.00 C ATOM 366 C ARG A 29 0.611 3.870 -11.266 1.00 0.00 C ATOM 367 O ARG A 29 1.521 4.503 -11.808 1.00 0.00 O ATOM 368 CB ARG A 29 -1.281 3.118 -12.771 1.00 0.00 C ATOM 369 CG ARG A 29 -2.066 1.976 -13.456 1.00 0.00 C ATOM 370 CD ARG A 29 -1.191 1.045 -14.317 1.00 0.00 C ATOM 371 NE ARG A 29 -1.961 -0.089 -14.858 1.00 0.00 N ATOM 372 CZ ARG A 29 -1.582 -0.870 -15.882 1.00 0.00 C ATOM 373 NH1 ARG A 29 -0.434 -0.663 -16.522 1.00 0.00 N ATOM 374 NH2 ARG A 29 -2.355 -1.878 -16.243 1.00 0.00 N ATOM 0 H ARG A 29 -1.348 1.432 -10.897 1.00 0.00 H new ATOM 0 HA ARG A 29 0.698 2.251 -12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.953 3.645 -12.093 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.971 3.833 -13.533 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.567 1.383 -12.691 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.845 2.409 -14.084 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.756 1.613 -15.139 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.363 0.668 -13.717 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.857 -0.298 -14.418 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.178 0.102 -16.237 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.166 -1.269 -17.297 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.228 -2.055 -15.746 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.079 -2.479 -17.019 1.00 0.00 H new ATOM 388 N PHE A 30 0.112 4.186 -10.057 1.00 0.00 N ATOM 389 CA PHE A 30 0.608 5.321 -9.253 1.00 0.00 C ATOM 390 C PHE A 30 2.056 5.076 -8.757 1.00 0.00 C ATOM 391 O PHE A 30 2.834 6.020 -8.567 1.00 0.00 O ATOM 392 CB PHE A 30 -0.360 5.568 -8.066 1.00 0.00 C ATOM 393 CG PHE A 30 -0.076 6.851 -7.284 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.220 8.097 -7.897 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.353 6.821 -5.958 1.00 0.00 C ATOM 396 CE1 PHE A 30 0.047 9.261 -7.208 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.621 7.991 -5.276 1.00 0.00 C ATOM 398 CZ PHE A 30 0.469 9.212 -5.900 1.00 0.00 C ATOM 0 H PHE A 30 -0.643 3.665 -9.610 1.00 0.00 H new ATOM 0 HA PHE A 30 0.638 6.212 -9.880 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.381 5.605 -8.446 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.305 4.720 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.545 8.150 -8.926 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.477 5.872 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.076 10.216 -7.698 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.951 7.950 -4.249 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.680 10.125 -5.364 1.00 0.00 H new ATOM 408 N PHE A 31 2.401 3.795 -8.555 1.00 0.00 N ATOM 409 CA PHE A 31 3.759 3.366 -8.167 1.00 0.00 C ATOM 410 C PHE A 31 4.391 2.502 -9.294 1.00 0.00 C ATOM 411 O PHE A 31 5.144 1.569 -9.020 1.00 0.00 O ATOM 412 CB PHE A 31 3.696 2.578 -6.823 1.00 0.00 C ATOM 413 CG PHE A 31 3.267 3.386 -5.594 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.172 4.216 -4.932 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.969 3.298 -5.082 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.794 4.930 -3.805 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.593 4.016 -3.958 1.00 0.00 C ATOM 418 CZ PHE A 31 2.507 4.830 -3.320 1.00 0.00 C ATOM 0 H PHE A 31 1.744 3.021 -8.656 1.00 0.00 H new ATOM 0 HA PHE A 31 4.390 4.243 -8.024 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.005 1.744 -6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.680 2.151 -6.628 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.182 4.304 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.247 2.660 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.510 5.566 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.584 3.939 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.215 5.388 -2.442 1.00 0.00 H new ATOM 428 N SER A 32 4.080 2.840 -10.564 1.00 0.00 N ATOM 429 CA SER A 32 4.625 2.139 -11.762 1.00 0.00 C ATOM 430 C SER A 32 6.178 2.191 -11.843 1.00 0.00 C ATOM 431 O SER A 32 6.804 1.276 -12.391 1.00 0.00 O ATOM 432 CB SER A 32 3.990 2.728 -13.046 1.00 0.00 C ATOM 433 OG SER A 32 4.369 2.021 -14.219 1.00 0.00 O ATOM 0 H SER A 32 3.445 3.605 -10.795 1.00 0.00 H new ATOM 0 HA SER A 32 4.360 1.086 -11.669 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.904 2.710 -12.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.284 3.773 -13.145 1.00 0.00 H new ATOM 0 HG SER A 32 3.941 2.430 -15.000 1.00 0.00 H new ATOM 439 N ASP A 33 6.788 3.263 -11.288 1.00 0.00 N ATOM 440 CA ASP A 33 8.266 3.421 -11.252 1.00 0.00 C ATOM 441 C ASP A 33 8.865 2.628 -10.086 1.00 0.00 C ATOM 442 O ASP A 33 10.040 2.240 -10.128 1.00 0.00 O ATOM 443 CB ASP A 33 8.675 4.917 -11.150 1.00 0.00 C ATOM 444 CG ASP A 33 8.389 5.697 -12.444 1.00 0.00 C ATOM 445 OD1 ASP A 33 7.225 6.102 -12.655 1.00 0.00 O ATOM 446 OD2 ASP A 33 9.312 5.887 -13.272 1.00 0.00 O ATOM 0 H ASP A 33 6.280 4.036 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 33 8.662 3.026 -12.188 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.137 5.382 -10.324 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.738 4.984 -10.917 1.00 0.00 H new ATOM 451 N CYS A 34 8.056 2.403 -9.043 1.00 0.00 N ATOM 452 CA CYS A 34 8.429 1.551 -7.914 1.00 0.00 C ATOM 453 C CYS A 34 8.256 0.085 -8.337 1.00 0.00 C ATOM 454 O CYS A 34 7.193 -0.299 -8.837 1.00 0.00 O ATOM 455 CB CYS A 34 7.543 1.879 -6.693 1.00 0.00 C ATOM 456 SG CYS A 34 7.560 3.627 -6.239 1.00 0.00 S ATOM 0 H CYS A 34 7.124 2.809 -8.961 1.00 0.00 H new ATOM 0 HA CYS A 34 9.467 1.727 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.518 1.577 -6.907 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.878 1.287 -5.841 1.00 0.00 H new ATOM 0 HG CYS A 34 6.614 4.250 -6.876 1.00 0.00 H new ATOM 462 N LYS A 35 9.312 -0.711 -8.165 1.00 0.00 N ATOM 463 CA LYS A 35 9.308 -2.144 -8.494 1.00 0.00 C ATOM 464 C LYS A 35 8.602 -2.890 -7.353 1.00 0.00 C ATOM 465 O LYS A 35 9.225 -3.274 -6.355 1.00 0.00 O ATOM 466 CB LYS A 35 10.751 -2.703 -8.744 1.00 0.00 C ATOM 467 CG LYS A 35 11.514 -2.087 -9.949 1.00 0.00 C ATOM 468 CD LYS A 35 11.932 -0.607 -9.732 1.00 0.00 C ATOM 469 CE LYS A 35 12.605 0.022 -10.961 1.00 0.00 C ATOM 470 NZ LYS A 35 12.920 1.458 -10.737 1.00 0.00 N ATOM 0 H LYS A 35 10.202 -0.381 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 35 8.771 -2.297 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.343 -2.544 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.682 -3.780 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.406 -2.682 -10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.885 -2.151 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.050 -0.022 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.615 -0.550 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.522 -0.521 -11.192 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.949 -0.077 -11.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.327 1.864 -11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.049 1.970 -10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.605 1.546 -9.959 1.00 0.00 H new ATOM 484 N ILE A 36 7.272 -2.985 -7.488 1.00 0.00 N ATOM 485 CA ILE A 36 6.399 -3.618 -6.498 1.00 0.00 C ATOM 486 C ILE A 36 6.514 -5.145 -6.623 1.00 0.00 C ATOM 487 O ILE A 36 6.466 -5.681 -7.742 1.00 0.00 O ATOM 488 CB ILE A 36 4.897 -3.158 -6.679 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.802 -1.598 -6.679 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.975 -3.762 -5.586 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.390 -1.038 -6.829 1.00 0.00 C ATOM 0 H ILE A 36 6.770 -2.620 -8.297 1.00 0.00 H new ATOM 0 HA ILE A 36 6.717 -3.309 -5.502 1.00 0.00 H new ATOM 0 HB ILE A 36 4.550 -3.532 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.229 -1.223 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.418 -1.211 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.952 -3.422 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.009 -4.850 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.316 -3.438 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.427 0.051 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.963 -1.377 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.770 -1.388 -6.004 1.00 0.00 H new ATOM 503 N GLN A 37 6.683 -5.821 -5.469 1.00 0.00 N ATOM 504 CA GLN A 37 6.800 -7.286 -5.384 1.00 0.00 C ATOM 505 C GLN A 37 5.551 -7.962 -5.988 1.00 0.00 C ATOM 506 O GLN A 37 4.439 -7.711 -5.527 1.00 0.00 O ATOM 507 CB GLN A 37 6.976 -7.725 -3.906 1.00 0.00 C ATOM 508 CG GLN A 37 7.111 -9.255 -3.701 1.00 0.00 C ATOM 509 CD GLN A 37 7.109 -9.712 -2.234 1.00 0.00 C ATOM 510 OE1 GLN A 37 6.647 -10.812 -1.922 1.00 0.00 O ATOM 511 NE2 GLN A 37 7.648 -8.905 -1.329 1.00 0.00 N ATOM 0 H GLN A 37 6.742 -5.358 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 37 7.677 -7.596 -5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.861 -7.237 -3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.122 -7.368 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.292 -9.751 -4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.036 -9.590 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.024 -8.000 -1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.687 -9.190 -0.350 1.00 0.00 H new ATOM 520 N ASN A 38 5.759 -8.760 -7.059 1.00 0.00 N ATOM 521 CA ASN A 38 4.689 -9.524 -7.750 1.00 0.00 C ATOM 522 C ASN A 38 3.635 -8.587 -8.391 1.00 0.00 C ATOM 523 O ASN A 38 2.491 -9.000 -8.636 1.00 0.00 O ATOM 524 CB ASN A 38 4.014 -10.539 -6.772 1.00 0.00 C ATOM 525 CG ASN A 38 4.994 -11.520 -6.130 1.00 0.00 C ATOM 526 OD1 ASN A 38 5.986 -11.926 -6.734 1.00 0.00 O ATOM 527 ND2 ASN A 38 4.727 -11.892 -4.889 1.00 0.00 N ATOM 0 H ASN A 38 6.681 -8.895 -7.474 1.00 0.00 H new ATOM 0 HA ASN A 38 5.157 -10.085 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.501 -9.985 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.254 -11.101 -7.314 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.353 -12.535 -4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.895 -11.536 -4.418 1.00 0.00 H new ATOM 534 N GLY A 39 4.044 -7.330 -8.664 1.00 0.00 N ATOM 535 CA GLY A 39 3.155 -6.321 -9.234 1.00 0.00 C ATOM 536 C GLY A 39 1.995 -5.977 -8.313 1.00 0.00 C ATOM 537 O GLY A 39 2.198 -5.741 -7.124 1.00 0.00 O ATOM 0 H GLY A 39 4.993 -6.998 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.726 -5.417 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.764 -6.682 -10.185 1.00 0.00 H new ATOM 541 N ALA A 40 0.771 -5.967 -8.868 1.00 0.00 N ATOM 542 CA ALA A 40 -0.477 -5.654 -8.133 1.00 0.00 C ATOM 543 C ALA A 40 -0.769 -6.645 -6.978 1.00 0.00 C ATOM 544 O ALA A 40 -1.600 -6.357 -6.107 1.00 0.00 O ATOM 545 CB ALA A 40 -1.656 -5.598 -9.128 1.00 0.00 C ATOM 0 H ALA A 40 0.613 -6.178 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.346 -4.681 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.576 -5.368 -8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.468 -4.824 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.758 -6.562 -9.625 1.00 0.00 H new ATOM 551 N GLN A 41 -0.066 -7.797 -6.975 1.00 0.00 N ATOM 552 CA GLN A 41 -0.202 -8.827 -5.920 1.00 0.00 C ATOM 553 C GLN A 41 0.610 -8.480 -4.648 1.00 0.00 C ATOM 554 O GLN A 41 0.460 -9.138 -3.610 1.00 0.00 O ATOM 555 CB GLN A 41 0.207 -10.205 -6.492 1.00 0.00 C ATOM 556 CG GLN A 41 -0.720 -10.729 -7.613 1.00 0.00 C ATOM 557 CD GLN A 41 -2.164 -10.945 -7.136 1.00 0.00 C ATOM 558 OE1 GLN A 41 -2.526 -12.030 -6.678 1.00 0.00 O ATOM 559 NE2 GLN A 41 -2.987 -9.907 -7.220 1.00 0.00 N ATOM 0 H GLN A 41 0.609 -8.040 -7.700 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.247 -8.861 -5.611 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.224 -10.137 -6.879 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.223 -10.932 -5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.718 -10.021 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.324 -11.669 -7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.655 -9.023 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.952 -9.994 -6.900 1.00 0.00 H new ATOM 568 N GLY A 42 1.471 -7.452 -4.746 1.00 0.00 N ATOM 569 CA GLY A 42 2.185 -6.899 -3.587 1.00 0.00 C ATOM 570 C GLY A 42 1.560 -5.602 -3.094 1.00 0.00 C ATOM 571 O GLY A 42 2.260 -4.679 -2.689 1.00 0.00 O ATOM 0 H GLY A 42 1.689 -6.985 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.185 -7.631 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.226 -6.720 -3.855 1.00 0.00 H new ATOM 575 N ILE A 43 0.224 -5.533 -3.166 1.00 0.00 N ATOM 576 CA ILE A 43 -0.576 -4.397 -2.673 1.00 0.00 C ATOM 577 C ILE A 43 -1.665 -4.959 -1.743 1.00 0.00 C ATOM 578 O ILE A 43 -2.517 -5.740 -2.179 1.00 0.00 O ATOM 579 CB ILE A 43 -1.198 -3.561 -3.862 1.00 0.00 C ATOM 580 CG1 ILE A 43 -0.063 -3.025 -4.806 1.00 0.00 C ATOM 581 CG2 ILE A 43 -2.077 -2.394 -3.332 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.544 -2.283 -6.036 1.00 0.00 C ATOM 0 H ILE A 43 -0.343 -6.276 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 43 0.061 -3.704 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.844 -4.222 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.583 -2.362 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.550 -3.868 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.490 -1.838 -4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.891 -2.796 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.468 -1.728 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.315 -1.954 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.164 -2.945 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.130 -1.415 -5.732 1.00 0.00 H new ATOM 594 N ARG A 44 -1.604 -4.578 -0.453 1.00 0.00 N ATOM 595 CA ARG A 44 -2.418 -5.193 0.612 1.00 0.00 C ATOM 596 C ARG A 44 -3.369 -4.159 1.215 1.00 0.00 C ATOM 597 O ARG A 44 -3.006 -3.456 2.164 1.00 0.00 O ATOM 598 CB ARG A 44 -1.471 -5.772 1.713 1.00 0.00 C ATOM 599 CG ARG A 44 -0.400 -6.753 1.187 1.00 0.00 C ATOM 600 CD ARG A 44 -1.011 -8.029 0.583 1.00 0.00 C ATOM 601 NE ARG A 44 0.004 -8.855 -0.082 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.085 -10.163 -0.326 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.155 -10.861 0.049 1.00 0.00 N ATOM 604 NH2 ARG A 44 0.920 -10.762 -0.947 1.00 0.00 N ATOM 0 H ARG A 44 -0.989 -3.835 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.017 -6.001 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.971 -4.944 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.076 -6.282 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.206 -6.252 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.269 -7.026 2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.494 -8.609 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.786 -7.757 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 44 0.857 -8.385 -0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.924 -10.396 0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.206 -11.861 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.740 -10.224 -1.228 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.874 -11.762 -1.144 1.00 0.00 H new ATOM 618 N PHE A 45 -4.596 -4.094 0.682 1.00 0.00 N ATOM 619 CA PHE A 45 -5.634 -3.184 1.195 1.00 0.00 C ATOM 620 C PHE A 45 -6.118 -3.689 2.554 1.00 0.00 C ATOM 621 O PHE A 45 -6.467 -4.867 2.688 1.00 0.00 O ATOM 622 CB PHE A 45 -6.833 -3.075 0.215 1.00 0.00 C ATOM 623 CG PHE A 45 -6.491 -2.450 -1.137 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.500 -1.060 -1.309 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.162 -3.242 -2.236 1.00 0.00 C ATOM 626 CE1 PHE A 45 -6.189 -0.494 -2.531 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.854 -2.674 -3.456 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.868 -1.302 -3.601 1.00 0.00 C ATOM 0 H PHE A 45 -4.897 -4.663 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.199 -2.190 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.241 -4.072 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.619 -2.484 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.753 -0.422 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.148 -4.317 -2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.197 0.580 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.602 -3.303 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.627 -0.859 -4.556 1.00 0.00 H new ATOM 638 N ILE A 46 -6.112 -2.807 3.566 1.00 0.00 N ATOM 639 CA ILE A 46 -6.630 -3.133 4.895 1.00 0.00 C ATOM 640 C ILE A 46 -8.165 -3.136 4.807 1.00 0.00 C ATOM 641 O ILE A 46 -8.811 -2.099 4.992 1.00 0.00 O ATOM 642 CB ILE A 46 -6.130 -2.099 5.980 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.574 -1.948 5.919 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.595 -2.520 7.399 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.991 -0.909 6.872 1.00 0.00 C ATOM 0 H ILE A 46 -5.750 -1.857 3.483 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.264 -4.111 5.207 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.573 -1.128 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.121 -2.915 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.289 -1.686 4.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.239 -1.793 8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.684 -2.560 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.189 -3.503 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.908 -0.877 6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.409 0.071 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.239 -1.178 7.899 1.00 0.00 H new ATOM 657 N TYR A 47 -8.724 -4.295 4.424 1.00 0.00 N ATOM 658 CA TYR A 47 -10.174 -4.487 4.316 1.00 0.00 C ATOM 659 C TYR A 47 -10.785 -4.596 5.713 1.00 0.00 C ATOM 660 O TYR A 47 -10.132 -5.061 6.661 1.00 0.00 O ATOM 661 CB TYR A 47 -10.523 -5.749 3.482 1.00 0.00 C ATOM 662 CG TYR A 47 -10.067 -5.691 2.018 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.647 -4.787 1.121 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.086 -6.558 1.523 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.254 -4.742 -0.205 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.690 -6.513 0.199 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.280 -5.611 -0.661 1.00 0.00 C ATOM 668 OH TYR A 47 -8.889 -5.573 -1.980 1.00 0.00 O ATOM 0 H TYR A 47 -8.181 -5.124 4.181 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.592 -3.623 3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.069 -6.619 3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.602 -5.899 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.415 -4.112 1.470 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.630 -7.276 2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.706 -4.031 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.922 -7.182 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.135 -4.955 -2.080 1.00 0.00 H new ATOM 678 N THR A 48 -12.031 -4.148 5.828 1.00 0.00 N ATOM 679 CA THR A 48 -12.805 -4.221 7.063 1.00 0.00 C ATOM 680 C THR A 48 -13.673 -5.492 7.049 1.00 0.00 C ATOM 681 O THR A 48 -13.687 -6.237 6.057 1.00 0.00 O ATOM 682 CB THR A 48 -13.711 -2.955 7.197 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.595 -2.870 6.062 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.871 -1.662 7.300 1.00 0.00 C ATOM 0 H THR A 48 -12.539 -3.718 5.055 1.00 0.00 H new ATOM 0 HA THR A 48 -12.126 -4.259 7.915 1.00 0.00 H new ATOM 0 HB THR A 48 -14.291 -3.052 8.115 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.105 -2.514 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.535 -0.803 7.392 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.225 -1.717 8.176 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.259 -1.553 6.405 1.00 0.00 H new ATOM 692 N ARG A 49 -14.427 -5.713 8.138 1.00 0.00 N ATOM 693 CA ARG A 49 -15.377 -6.844 8.241 1.00 0.00 C ATOM 694 C ARG A 49 -16.589 -6.672 7.283 1.00 0.00 C ATOM 695 O ARG A 49 -17.389 -7.596 7.123 1.00 0.00 O ATOM 696 CB ARG A 49 -15.864 -7.001 9.708 1.00 0.00 C ATOM 697 CG ARG A 49 -16.641 -5.778 10.244 1.00 0.00 C ATOM 698 CD ARG A 49 -17.119 -5.928 11.696 1.00 0.00 C ATOM 699 NE ARG A 49 -17.852 -4.729 12.144 1.00 0.00 N ATOM 700 CZ ARG A 49 -18.038 -4.361 13.417 1.00 0.00 C ATOM 701 NH1 ARG A 49 -17.557 -5.084 14.423 1.00 0.00 N ATOM 702 NH2 ARG A 49 -18.710 -3.258 13.674 1.00 0.00 N ATOM 0 H ARG A 49 -14.400 -5.121 8.968 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.849 -7.748 7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -16.501 -7.883 9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.001 -7.181 10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.005 -4.896 10.171 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.506 -5.601 9.604 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.763 -6.804 11.781 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.262 -6.098 12.348 1.00 0.00 H new ATOM 0 HE ARG A 49 -18.251 -4.129 11.422 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.034 -5.939 14.232 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.711 -4.784 15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -19.081 -2.697 12.907 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.860 -2.965 14.640 1.00 0.00 H new ATOM 716 N GLU A 50 -16.708 -5.483 6.656 1.00 0.00 N ATOM 717 CA GLU A 50 -17.778 -5.155 5.690 1.00 0.00 C ATOM 718 C GLU A 50 -17.251 -5.326 4.238 1.00 0.00 C ATOM 719 O GLU A 50 -17.990 -5.107 3.270 1.00 0.00 O ATOM 720 CB GLU A 50 -18.288 -3.694 5.962 1.00 0.00 C ATOM 721 CG GLU A 50 -19.825 -3.515 5.984 1.00 0.00 C ATOM 722 CD GLU A 50 -20.510 -3.747 4.625 1.00 0.00 C ATOM 723 OE1 GLU A 50 -20.566 -2.799 3.817 1.00 0.00 O ATOM 724 OE2 GLU A 50 -20.982 -4.879 4.354 1.00 0.00 O ATOM 0 H GLU A 50 -16.055 -4.714 6.808 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.620 -5.837 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.888 -3.361 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.875 -3.036 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.249 -4.205 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.057 -2.507 6.327 1.00 0.00 H new ATOM 731 N GLY A 51 -15.963 -5.718 4.108 1.00 0.00 N ATOM 732 CA GLY A 51 -15.340 -5.982 2.804 1.00 0.00 C ATOM 733 C GLY A 51 -14.973 -4.722 2.026 1.00 0.00 C ATOM 734 O GLY A 51 -14.935 -4.736 0.792 1.00 0.00 O ATOM 0 H GLY A 51 -15.336 -5.857 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.440 -6.578 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.022 -6.583 2.202 1.00 0.00 H new ATOM 738 N ARG A 52 -14.691 -3.632 2.752 1.00 0.00 N ATOM 739 CA ARG A 52 -14.332 -2.319 2.164 1.00 0.00 C ATOM 740 C ARG A 52 -12.996 -1.871 2.784 1.00 0.00 C ATOM 741 O ARG A 52 -12.849 -1.961 4.005 1.00 0.00 O ATOM 742 CB ARG A 52 -15.443 -1.234 2.402 1.00 0.00 C ATOM 743 CG ARG A 52 -16.581 -1.203 1.344 1.00 0.00 C ATOM 744 CD ARG A 52 -17.573 -2.378 1.431 1.00 0.00 C ATOM 745 NE ARG A 52 -18.430 -2.458 0.230 1.00 0.00 N ATOM 746 CZ ARG A 52 -19.578 -3.149 0.131 1.00 0.00 C ATOM 747 NH1 ARG A 52 -20.130 -3.724 1.190 1.00 0.00 N ATOM 748 NH2 ARG A 52 -20.184 -3.234 -1.041 1.00 0.00 N ATOM 0 H ARG A 52 -14.704 -3.629 3.772 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.239 -2.428 1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.887 -1.402 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.969 -0.253 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.134 -0.270 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -16.134 -1.195 0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.023 -3.311 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -18.197 -2.263 2.317 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.123 -1.944 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -19.683 -3.647 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -21.002 -4.244 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.779 -2.778 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -21.056 -3.756 -1.128 1.00 0.00 H new ATOM 762 N PRO A 53 -11.992 -1.402 1.972 1.00 0.00 N ATOM 763 CA PRO A 53 -10.686 -0.949 2.508 1.00 0.00 C ATOM 764 C PRO A 53 -10.836 0.328 3.366 1.00 0.00 C ATOM 765 O PRO A 53 -11.746 1.126 3.145 1.00 0.00 O ATOM 766 CB PRO A 53 -9.839 -0.689 1.232 1.00 0.00 C ATOM 767 CG PRO A 53 -10.852 -0.396 0.160 1.00 0.00 C ATOM 768 CD PRO A 53 -12.053 -1.262 0.490 1.00 0.00 C ATOM 0 HA PRO A 53 -10.227 -1.679 3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.157 0.149 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -9.230 -1.556 0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.120 0.660 0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.457 -0.632 -0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.984 -0.794 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.996 -2.231 -0.006 1.00 0.00 H new ATOM 776 N SER A 54 -9.913 0.522 4.322 1.00 0.00 N ATOM 777 CA SER A 54 -9.899 1.698 5.218 1.00 0.00 C ATOM 778 C SER A 54 -9.319 2.945 4.504 1.00 0.00 C ATOM 779 O SER A 54 -9.136 4.000 5.125 1.00 0.00 O ATOM 780 CB SER A 54 -9.072 1.356 6.486 1.00 0.00 C ATOM 781 OG SER A 54 -9.581 0.196 7.133 1.00 0.00 O ATOM 0 H SER A 54 -9.151 -0.133 4.499 1.00 0.00 H new ATOM 0 HA SER A 54 -10.923 1.939 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.030 1.195 6.211 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.093 2.200 7.176 1.00 0.00 H new ATOM 0 HG SER A 54 -9.410 -0.591 6.575 1.00 0.00 H new ATOM 787 N GLY A 55 -9.051 2.804 3.188 1.00 0.00 N ATOM 788 CA GLY A 55 -8.346 3.810 2.409 1.00 0.00 C ATOM 789 C GLY A 55 -6.838 3.595 2.443 1.00 0.00 C ATOM 790 O GLY A 55 -6.075 4.377 1.872 1.00 0.00 O ATOM 0 H GLY A 55 -9.324 1.983 2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.694 3.781 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.581 4.801 2.797 1.00 0.00 H new ATOM 794 N GLU A 56 -6.417 2.527 3.147 1.00 0.00 N ATOM 795 CA GLU A 56 -5.010 2.167 3.356 1.00 0.00 C ATOM 796 C GLU A 56 -4.661 0.871 2.607 1.00 0.00 C ATOM 797 O GLU A 56 -5.507 -0.021 2.460 1.00 0.00 O ATOM 798 CB GLU A 56 -4.744 1.987 4.873 1.00 0.00 C ATOM 799 CG GLU A 56 -5.207 3.160 5.752 1.00 0.00 C ATOM 800 CD GLU A 56 -4.974 2.899 7.244 1.00 0.00 C ATOM 801 OE1 GLU A 56 -5.861 2.300 7.897 1.00 0.00 O ATOM 802 OE2 GLU A 56 -3.896 3.270 7.765 1.00 0.00 O ATOM 0 H GLU A 56 -7.064 1.878 3.595 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.382 2.967 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.244 1.079 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.675 1.837 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.675 4.064 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.267 3.344 5.579 1.00 0.00 H new ATOM 809 N ALA A 57 -3.411 0.802 2.134 1.00 0.00 N ATOM 810 CA ALA A 57 -2.817 -0.393 1.523 1.00 0.00 C ATOM 811 C ALA A 57 -1.315 -0.445 1.841 1.00 0.00 C ATOM 812 O ALA A 57 -0.676 0.591 1.959 1.00 0.00 O ATOM 813 CB ALA A 57 -3.040 -0.407 0.001 1.00 0.00 C ATOM 0 H ALA A 57 -2.769 1.594 2.166 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.306 -1.273 1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.589 -1.304 -0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.109 -0.403 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.580 0.476 -0.442 1.00 0.00 H new ATOM 819 N PHE A 58 -0.756 -1.654 1.959 1.00 0.00 N ATOM 820 CA PHE A 58 0.681 -1.866 2.178 1.00 0.00 C ATOM 821 C PHE A 58 1.305 -2.289 0.848 1.00 0.00 C ATOM 822 O PHE A 58 0.927 -3.324 0.288 1.00 0.00 O ATOM 823 CB PHE A 58 0.933 -2.956 3.252 1.00 0.00 C ATOM 824 CG PHE A 58 0.654 -2.525 4.692 1.00 0.00 C ATOM 825 CD1 PHE A 58 1.625 -1.833 5.424 1.00 0.00 C ATOM 826 CD2 PHE A 58 -0.549 -2.832 5.328 1.00 0.00 C ATOM 827 CE1 PHE A 58 1.398 -1.462 6.731 1.00 0.00 C ATOM 828 CE2 PHE A 58 -0.770 -2.464 6.644 1.00 0.00 C ATOM 829 CZ PHE A 58 0.202 -1.778 7.344 1.00 0.00 C ATOM 0 H PHE A 58 -1.291 -2.521 1.905 1.00 0.00 H new ATOM 0 HA PHE A 58 1.132 -0.942 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.312 -3.822 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.971 -3.281 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.567 -1.586 4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.318 -3.364 4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.157 -0.923 7.278 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.705 -2.714 7.124 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.027 -1.489 8.370 1.00 0.00 H new ATOM 839 N VAL A 59 2.234 -1.479 0.331 1.00 0.00 N ATOM 840 CA VAL A 59 2.909 -1.757 -0.940 1.00 0.00 C ATOM 841 C VAL A 59 4.280 -2.399 -0.660 1.00 0.00 C ATOM 842 O VAL A 59 5.184 -1.752 -0.114 1.00 0.00 O ATOM 843 CB VAL A 59 3.046 -0.451 -1.810 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.838 -0.705 -3.115 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.646 0.147 -2.122 1.00 0.00 C ATOM 0 H VAL A 59 2.538 -0.615 0.780 1.00 0.00 H new ATOM 0 HA VAL A 59 2.307 -2.458 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 59 3.613 0.273 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.908 0.222 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.840 -1.057 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.324 -1.459 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.761 1.049 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.053 -0.583 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.140 0.396 -1.189 1.00 0.00 H new ATOM 855 N GLU A 60 4.386 -3.691 -1.008 1.00 0.00 N ATOM 856 CA GLU A 60 5.614 -4.487 -0.891 1.00 0.00 C ATOM 857 C GLU A 60 6.542 -4.114 -2.044 1.00 0.00 C ATOM 858 O GLU A 60 6.093 -4.000 -3.184 1.00 0.00 O ATOM 859 CB GLU A 60 5.274 -5.999 -0.954 1.00 0.00 C ATOM 860 CG GLU A 60 4.250 -6.475 0.090 1.00 0.00 C ATOM 861 CD GLU A 60 3.920 -7.972 -0.044 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.747 -8.815 0.372 1.00 0.00 O ATOM 863 OE2 GLU A 60 2.852 -8.322 -0.579 1.00 0.00 O ATOM 0 H GLU A 60 3.602 -4.222 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 60 6.101 -4.282 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.892 -6.230 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.194 -6.569 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.639 -6.281 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.334 -5.894 -0.014 1.00 0.00 H new ATOM 870 N LEU A 61 7.827 -3.942 -1.753 1.00 0.00 N ATOM 871 CA LEU A 61 8.802 -3.361 -2.693 1.00 0.00 C ATOM 872 C LEU A 61 10.097 -4.186 -2.673 1.00 0.00 C ATOM 873 O LEU A 61 10.579 -4.566 -1.607 1.00 0.00 O ATOM 874 CB LEU A 61 9.045 -1.886 -2.296 1.00 0.00 C ATOM 875 CG LEU A 61 7.795 -0.956 -2.456 1.00 0.00 C ATOM 876 CD1 LEU A 61 7.955 0.346 -1.672 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.489 -0.681 -3.950 1.00 0.00 C ATOM 0 H LEU A 61 8.233 -4.201 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 61 8.421 -3.386 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.377 -1.852 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.858 -1.489 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 61 6.940 -1.484 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.068 0.964 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.081 0.120 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.831 0.884 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.616 -0.033 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.347 -0.193 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.289 -1.623 -4.460 1.00 0.00 H new ATOM 889 N GLU A 62 10.661 -4.432 -3.868 1.00 0.00 N ATOM 890 CA GLU A 62 11.756 -5.409 -4.075 1.00 0.00 C ATOM 891 C GLU A 62 13.104 -4.981 -3.438 1.00 0.00 C ATOM 892 O GLU A 62 14.019 -5.808 -3.317 1.00 0.00 O ATOM 893 CB GLU A 62 11.905 -5.696 -5.591 1.00 0.00 C ATOM 894 CG GLU A 62 10.646 -6.325 -6.228 1.00 0.00 C ATOM 895 CD GLU A 62 10.790 -6.607 -7.732 1.00 0.00 C ATOM 896 OE1 GLU A 62 11.638 -7.444 -8.109 1.00 0.00 O ATOM 897 OE2 GLU A 62 10.059 -6.002 -8.544 1.00 0.00 O ATOM 0 H GLU A 62 10.372 -3.959 -4.724 1.00 0.00 H new ATOM 0 HA GLU A 62 11.480 -6.325 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.137 -4.765 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.752 -6.365 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.416 -7.258 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.799 -5.658 -6.072 1.00 0.00 H new ATOM 904 N SER A 63 13.205 -3.707 -3.016 1.00 0.00 N ATOM 905 CA SER A 63 14.342 -3.210 -2.224 1.00 0.00 C ATOM 906 C SER A 63 13.953 -1.916 -1.505 1.00 0.00 C ATOM 907 O SER A 63 12.866 -1.353 -1.731 1.00 0.00 O ATOM 908 CB SER A 63 15.606 -2.984 -3.098 1.00 0.00 C ATOM 909 OG SER A 63 15.446 -1.895 -3.969 1.00 0.00 O ATOM 0 H SER A 63 12.502 -2.996 -3.215 1.00 0.00 H new ATOM 0 HA SER A 63 14.591 -3.973 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.468 -2.811 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.815 -3.884 -3.676 1.00 0.00 H new ATOM 0 HG SER A 63 16.260 -1.780 -4.502 1.00 0.00 H new ATOM 915 N GLU A 64 14.863 -1.457 -0.626 1.00 0.00 N ATOM 916 CA GLU A 64 14.718 -0.188 0.099 1.00 0.00 C ATOM 917 C GLU A 64 14.841 1.010 -0.885 1.00 0.00 C ATOM 918 O GLU A 64 14.352 2.089 -0.586 1.00 0.00 O ATOM 919 CB GLU A 64 15.757 -0.127 1.269 1.00 0.00 C ATOM 920 CG GLU A 64 15.414 0.819 2.458 1.00 0.00 C ATOM 921 CD GLU A 64 15.588 2.324 2.186 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.740 2.764 2.002 1.00 0.00 O ATOM 923 OE2 GLU A 64 14.584 3.075 2.168 1.00 0.00 O ATOM 0 H GLU A 64 15.721 -1.960 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 64 13.726 -0.123 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.887 -1.135 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.718 0.180 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.381 0.639 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.041 0.547 3.307 1.00 0.00 H new ATOM 930 N ASP A 65 15.467 0.804 -2.074 1.00 0.00 N ATOM 931 CA ASP A 65 15.487 1.828 -3.154 1.00 0.00 C ATOM 932 C ASP A 65 14.061 2.151 -3.610 1.00 0.00 C ATOM 933 O ASP A 65 13.700 3.315 -3.790 1.00 0.00 O ATOM 934 CB ASP A 65 16.321 1.368 -4.372 1.00 0.00 C ATOM 935 CG ASP A 65 17.807 1.216 -4.054 1.00 0.00 C ATOM 936 OD1 ASP A 65 18.525 2.241 -4.022 1.00 0.00 O ATOM 937 OD2 ASP A 65 18.270 0.083 -3.823 1.00 0.00 O ATOM 0 H ASP A 65 15.962 -0.057 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 65 15.954 2.721 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.933 0.415 -4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.200 2.088 -5.181 1.00 0.00 H new ATOM 942 N GLU A 66 13.285 1.092 -3.834 1.00 0.00 N ATOM 943 CA GLU A 66 11.851 1.195 -4.136 1.00 0.00 C ATOM 944 C GLU A 66 11.047 1.828 -2.980 1.00 0.00 C ATOM 945 O GLU A 66 10.046 2.505 -3.238 1.00 0.00 O ATOM 946 CB GLU A 66 11.266 -0.184 -4.525 1.00 0.00 C ATOM 947 CG GLU A 66 11.682 -0.700 -5.913 1.00 0.00 C ATOM 948 CD GLU A 66 13.107 -1.270 -6.018 1.00 0.00 C ATOM 949 OE1 GLU A 66 14.066 -0.492 -6.188 1.00 0.00 O ATOM 950 OE2 GLU A 66 13.275 -2.505 -5.958 1.00 0.00 O ATOM 0 H GLU A 66 13.631 0.133 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 66 11.757 1.865 -4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.571 -0.915 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.178 -0.124 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.978 -1.475 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.585 0.117 -6.627 1.00 0.00 H new ATOM 957 N VAL A 67 11.475 1.596 -1.719 1.00 0.00 N ATOM 958 CA VAL A 67 10.873 2.257 -0.535 1.00 0.00 C ATOM 959 C VAL A 67 11.076 3.783 -0.622 1.00 0.00 C ATOM 960 O VAL A 67 10.141 4.539 -0.379 1.00 0.00 O ATOM 961 CB VAL A 67 11.445 1.674 0.817 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.973 2.475 2.059 1.00 0.00 C ATOM 963 CG2 VAL A 67 11.078 0.176 0.955 1.00 0.00 C ATOM 0 H VAL A 67 12.236 0.955 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 67 9.803 2.049 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 67 12.530 1.772 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.396 2.031 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.306 3.509 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.885 2.448 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.479 -0.212 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.994 0.065 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.503 -0.381 0.120 1.00 0.00 H new ATOM 973 N LYS A 68 12.300 4.207 -0.999 1.00 0.00 N ATOM 974 CA LYS A 68 12.628 5.629 -1.292 1.00 0.00 C ATOM 975 C LYS A 68 11.666 6.202 -2.360 1.00 0.00 C ATOM 976 O LYS A 68 11.083 7.273 -2.168 1.00 0.00 O ATOM 977 CB LYS A 68 14.093 5.767 -1.806 1.00 0.00 C ATOM 978 CG LYS A 68 15.184 5.175 -0.884 1.00 0.00 C ATOM 979 CD LYS A 68 16.565 5.103 -1.590 1.00 0.00 C ATOM 980 CE LYS A 68 17.610 4.289 -0.802 1.00 0.00 C ATOM 981 NZ LYS A 68 18.854 4.076 -1.586 1.00 0.00 N ATOM 0 H LYS A 68 13.094 3.577 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 68 12.518 6.189 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.164 5.283 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.307 6.825 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.268 5.784 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.887 4.176 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.438 4.659 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.941 6.115 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.850 4.808 0.126 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.185 3.324 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.573 3.630 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.651 3.458 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.209 4.991 -1.929 1.00 0.00 H new ATOM 995 N LEU A 69 11.513 5.450 -3.476 1.00 0.00 N ATOM 996 CA LEU A 69 10.625 5.808 -4.614 1.00 0.00 C ATOM 997 C LEU A 69 9.153 5.943 -4.180 1.00 0.00 C ATOM 998 O LEU A 69 8.417 6.779 -4.704 1.00 0.00 O ATOM 999 CB LEU A 69 10.756 4.754 -5.751 1.00 0.00 C ATOM 1000 CG LEU A 69 12.143 4.689 -6.466 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.187 3.544 -7.502 1.00 0.00 C ATOM 1002 CD2 LEU A 69 12.498 6.053 -7.107 1.00 0.00 C ATOM 0 H LEU A 69 12.007 4.568 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 69 10.946 6.781 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.537 3.771 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.992 4.960 -6.501 1.00 0.00 H new ATOM 0 HG LEU A 69 12.900 4.471 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.165 3.525 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.011 2.592 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.416 3.705 -8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.468 5.982 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.738 6.319 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.539 6.819 -6.333 1.00 0.00 H new ATOM 1014 N ALA A 70 8.754 5.096 -3.230 1.00 0.00 N ATOM 1015 CA ALA A 70 7.399 5.112 -2.651 1.00 0.00 C ATOM 1016 C ALA A 70 7.209 6.374 -1.787 1.00 0.00 C ATOM 1017 O ALA A 70 6.188 7.056 -1.881 1.00 0.00 O ATOM 1018 CB ALA A 70 7.147 3.836 -1.846 1.00 0.00 C ATOM 0 H ALA A 70 9.359 4.376 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 70 6.666 5.142 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.142 3.864 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.243 2.969 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.876 3.765 -1.039 1.00 0.00 H new ATOM 1024 N LEU A 71 8.233 6.671 -0.961 1.00 0.00 N ATOM 1025 CA LEU A 71 8.280 7.867 -0.090 1.00 0.00 C ATOM 1026 C LEU A 71 8.348 9.180 -0.902 1.00 0.00 C ATOM 1027 O LEU A 71 8.175 10.250 -0.339 1.00 0.00 O ATOM 1028 CB LEU A 71 9.497 7.778 0.874 1.00 0.00 C ATOM 1029 CG LEU A 71 9.493 6.592 1.891 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.829 6.514 2.648 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.299 6.683 2.871 1.00 0.00 C ATOM 0 H LEU A 71 9.061 6.081 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 71 7.354 7.885 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.404 7.710 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.556 8.710 1.436 1.00 0.00 H new ATOM 0 HG LEU A 71 9.373 5.671 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.801 5.681 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.642 6.363 1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.992 7.443 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.331 5.841 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.359 7.616 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.365 6.657 2.310 1.00 0.00 H new ATOM 1043 N LYS A 72 8.631 9.104 -2.215 1.00 0.00 N ATOM 1044 CA LYS A 72 8.543 10.286 -3.108 1.00 0.00 C ATOM 1045 C LYS A 72 7.072 10.733 -3.280 1.00 0.00 C ATOM 1046 O LYS A 72 6.799 11.893 -3.592 1.00 0.00 O ATOM 1047 CB LYS A 72 9.180 9.989 -4.495 1.00 0.00 C ATOM 1048 CG LYS A 72 10.646 9.489 -4.452 1.00 0.00 C ATOM 1049 CD LYS A 72 11.622 10.448 -3.729 1.00 0.00 C ATOM 1050 CE LYS A 72 11.788 11.803 -4.444 1.00 0.00 C ATOM 1051 NZ LYS A 72 12.685 12.718 -3.695 1.00 0.00 N ATOM 0 H LYS A 72 8.921 8.246 -2.684 1.00 0.00 H new ATOM 0 HA LYS A 72 9.103 11.097 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.572 9.241 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.140 10.896 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.673 8.519 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.996 9.334 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.264 10.622 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.597 9.968 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.190 11.639 -5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.811 12.271 -4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.770 13.618 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.289 12.895 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.625 12.283 -3.601 1.00 0.00 H new ATOM 1065 N LYS A 73 6.134 9.791 -3.065 1.00 0.00 N ATOM 1066 CA LYS A 73 4.679 10.048 -3.163 1.00 0.00 C ATOM 1067 C LYS A 73 4.086 10.544 -1.826 1.00 0.00 C ATOM 1068 O LYS A 73 2.876 10.768 -1.747 1.00 0.00 O ATOM 1069 CB LYS A 73 3.916 8.779 -3.647 1.00 0.00 C ATOM 1070 CG LYS A 73 4.141 8.402 -5.133 1.00 0.00 C ATOM 1071 CD LYS A 73 5.558 7.862 -5.436 1.00 0.00 C ATOM 1072 CE LYS A 73 5.767 7.557 -6.922 1.00 0.00 C ATOM 1073 NZ LYS A 73 5.569 8.771 -7.757 1.00 0.00 N ATOM 0 H LYS A 73 6.361 8.828 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 73 4.550 10.840 -3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.215 7.935 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.849 8.932 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.407 7.650 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.958 9.280 -5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.298 8.593 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.729 6.956 -4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.773 7.167 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.071 6.779 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.927 8.594 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.556 9.000 -7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.086 9.569 -7.337 1.00 0.00 H new ATOM 1087 N ASP A 74 4.948 10.643 -0.783 1.00 0.00 N ATOM 1088 CA ASP A 74 4.675 11.305 0.543 1.00 0.00 C ATOM 1089 C ASP A 74 3.713 12.531 0.516 1.00 0.00 C ATOM 1090 O ASP A 74 3.072 12.825 1.531 1.00 0.00 O ATOM 1091 CB ASP A 74 6.047 11.709 1.142 1.00 0.00 C ATOM 1092 CG ASP A 74 6.024 12.406 2.517 1.00 0.00 C ATOM 1093 OD1 ASP A 74 5.940 11.712 3.552 1.00 0.00 O ATOM 1094 OD2 ASP A 74 6.144 13.642 2.570 1.00 0.00 O ATOM 0 H ASP A 74 5.890 10.254 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 74 4.139 10.579 1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.659 10.811 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.546 12.370 0.434 1.00 0.00 H new ATOM 1099 N ARG A 75 3.605 13.226 -0.634 1.00 0.00 N ATOM 1100 CA ARG A 75 2.675 14.378 -0.782 1.00 0.00 C ATOM 1101 C ARG A 75 2.028 14.431 -2.183 1.00 0.00 C ATOM 1102 O ARG A 75 1.153 15.267 -2.423 1.00 0.00 O ATOM 1103 CB ARG A 75 3.351 15.724 -0.396 1.00 0.00 C ATOM 1104 CG ARG A 75 2.357 16.811 0.092 1.00 0.00 C ATOM 1105 CD ARG A 75 3.057 18.035 0.705 1.00 0.00 C ATOM 1106 NE ARG A 75 2.098 18.935 1.385 1.00 0.00 N ATOM 1107 CZ ARG A 75 1.837 18.932 2.703 1.00 0.00 C ATOM 1108 NH1 ARG A 75 2.432 18.062 3.516 1.00 0.00 N ATOM 1109 NH2 ARG A 75 0.969 19.799 3.205 1.00 0.00 N ATOM 0 H ARG A 75 4.145 13.016 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 75 1.863 14.219 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.085 15.539 0.388 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.896 16.106 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.741 17.134 -0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.685 16.375 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.812 17.703 1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.579 18.585 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 75 1.596 19.610 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.096 17.385 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.224 18.072 4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.501 20.466 2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.769 19.799 4.205 1.00 0.00 H new ATOM 1123 N GLU A 76 2.469 13.548 -3.105 1.00 0.00 N ATOM 1124 CA GLU A 76 1.877 13.411 -4.454 1.00 0.00 C ATOM 1125 C GLU A 76 0.356 13.076 -4.384 1.00 0.00 C ATOM 1126 O GLU A 76 -0.097 12.327 -3.508 1.00 0.00 O ATOM 1127 CB GLU A 76 2.652 12.322 -5.276 1.00 0.00 C ATOM 1128 CG GLU A 76 3.010 12.709 -6.729 1.00 0.00 C ATOM 1129 CD GLU A 76 1.797 13.052 -7.614 1.00 0.00 C ATOM 1130 OE1 GLU A 76 1.208 12.136 -8.212 1.00 0.00 O ATOM 1131 OE2 GLU A 76 1.426 14.249 -7.715 1.00 0.00 O ATOM 0 H GLU A 76 3.246 12.910 -2.935 1.00 0.00 H new ATOM 0 HA GLU A 76 1.973 14.370 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.573 12.080 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.050 11.414 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.683 13.566 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.557 11.885 -7.187 1.00 0.00 H new ATOM 1138 N THR A 77 -0.394 13.652 -5.334 1.00 0.00 N ATOM 1139 CA THR A 77 -1.853 13.512 -5.440 1.00 0.00 C ATOM 1140 C THR A 77 -2.252 12.391 -6.418 1.00 0.00 C ATOM 1141 O THR A 77 -1.887 12.420 -7.597 1.00 0.00 O ATOM 1142 CB THR A 77 -2.499 14.857 -5.910 1.00 0.00 C ATOM 1143 OG1 THR A 77 -1.778 15.389 -7.039 1.00 0.00 O ATOM 1144 CG2 THR A 77 -2.532 15.904 -4.788 1.00 0.00 C ATOM 0 H THR A 77 0.005 14.240 -6.065 1.00 0.00 H new ATOM 0 HA THR A 77 -2.222 13.251 -4.448 1.00 0.00 H new ATOM 0 HB THR A 77 -3.527 14.636 -6.196 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.535 14.659 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.989 16.821 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.116 15.522 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.515 16.114 -4.456 1.00 0.00 H new ATOM 1152 N MET A 78 -3.007 11.418 -5.899 1.00 0.00 N ATOM 1153 CA MET A 78 -3.626 10.345 -6.687 1.00 0.00 C ATOM 1154 C MET A 78 -5.109 10.683 -6.929 1.00 0.00 C ATOM 1155 O MET A 78 -5.896 10.735 -5.976 1.00 0.00 O ATOM 1156 CB MET A 78 -3.485 9.005 -5.929 1.00 0.00 C ATOM 1157 CG MET A 78 -4.000 7.761 -6.651 1.00 0.00 C ATOM 1158 SD MET A 78 -3.657 6.281 -5.683 1.00 0.00 S ATOM 1159 CE MET A 78 -4.340 5.001 -6.714 1.00 0.00 C ATOM 0 H MET A 78 -3.209 11.352 -4.901 1.00 0.00 H new ATOM 0 HA MET A 78 -3.127 10.252 -7.652 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.431 8.853 -5.696 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.013 9.092 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.073 7.850 -6.821 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.527 7.680 -7.630 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.134 4.027 -6.270 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.418 5.140 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.887 5.051 -7.704 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.472 10.916 -8.203 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.842 11.287 -8.587 1.00 0.00 C ATOM 1171 C GLY A 79 -7.252 12.666 -8.076 1.00 0.00 C ATOM 1172 O GLY A 79 -7.016 13.671 -8.748 1.00 0.00 O ATOM 0 H GLY A 79 -4.826 10.852 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.927 11.268 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.536 10.541 -8.200 1.00 0.00 H new ATOM 1176 N HIS A 80 -7.826 12.705 -6.866 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.347 13.936 -6.229 1.00 0.00 C ATOM 1178 C HIS A 80 -7.821 14.061 -4.780 1.00 0.00 C ATOM 1179 O HIS A 80 -8.013 15.090 -4.119 1.00 0.00 O ATOM 1180 CB HIS A 80 -9.901 13.896 -6.278 1.00 0.00 C ATOM 1181 CG HIS A 80 -10.608 15.047 -5.594 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -10.587 16.334 -6.073 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.345 15.089 -4.454 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -11.274 17.120 -5.261 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -11.747 16.384 -4.274 1.00 0.00 N ATOM 0 H HIS A 80 -7.946 11.873 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.998 14.817 -6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.213 13.871 -7.322 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.237 12.965 -5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.572 14.254 -3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.422 18.183 -5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.320 16.725 -3.502 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.114 13.021 -4.311 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.673 12.911 -2.911 1.00 0.00 C ATOM 1196 C ARG A 81 -5.147 12.892 -2.819 1.00 0.00 C ATOM 1197 O ARG A 81 -4.466 12.499 -3.760 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.236 11.623 -2.265 1.00 0.00 C ATOM 1199 CG ARG A 81 -8.771 11.573 -2.190 1.00 0.00 C ATOM 1200 CD ARG A 81 -9.283 10.328 -1.452 1.00 0.00 C ATOM 1201 NE ARG A 81 -8.783 10.261 -0.062 1.00 0.00 N ATOM 1202 CZ ARG A 81 -9.435 9.745 0.993 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -10.668 9.262 0.881 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -8.832 9.726 2.168 1.00 0.00 N ATOM 0 H ARG A 81 -6.832 12.232 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.051 13.782 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.883 10.762 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.831 11.529 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.136 12.467 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.182 11.588 -3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.373 10.334 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.973 9.434 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.854 10.643 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.142 9.278 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.141 8.876 1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.887 10.099 2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.311 9.338 2.981 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.644 13.329 -1.667 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.222 13.232 -1.307 1.00 0.00 C ATOM 1220 C TYR A 82 -2.922 11.823 -0.765 1.00 0.00 C ATOM 1221 O TYR A 82 -3.764 11.231 -0.081 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.875 14.291 -0.232 1.00 0.00 C ATOM 1223 CG TYR A 82 -2.957 15.749 -0.709 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.144 16.479 -0.611 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -1.842 16.394 -1.261 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -4.215 17.792 -1.036 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -1.914 17.708 -1.686 1.00 0.00 C ATOM 1228 CZ TYR A 82 -3.102 18.399 -1.578 1.00 0.00 C ATOM 1229 OH TYR A 82 -3.178 19.708 -2.003 1.00 0.00 O ATOM 0 H TYR A 82 -5.216 13.767 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.615 13.415 -2.194 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.550 14.163 0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.866 14.100 0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.023 16.008 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -0.911 15.856 -1.356 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.140 18.341 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.042 18.191 -2.101 1.00 0.00 H new ATOM 0 HH TYR A 82 -2.309 19.988 -2.358 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.734 11.289 -1.078 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.298 9.955 -0.627 1.00 0.00 C ATOM 1241 C VAL A 83 -0.186 10.087 0.430 1.00 0.00 C ATOM 1242 O VAL A 83 0.865 10.669 0.160 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.799 9.113 -1.859 1.00 0.00 C ATOM 1244 CG1 VAL A 83 -0.174 7.759 -1.447 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.959 8.890 -2.850 1.00 0.00 C ATOM 0 H VAL A 83 -1.043 11.770 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.142 9.438 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.009 9.688 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.152 7.222 -2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.683 7.937 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.916 7.163 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.605 8.306 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.765 8.352 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.328 9.854 -3.201 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.434 9.552 1.637 1.00 0.00 N ATOM 1256 CA GLU A 84 0.549 9.555 2.733 1.00 0.00 C ATOM 1257 C GLU A 84 1.291 8.209 2.702 1.00 0.00 C ATOM 1258 O GLU A 84 0.648 7.152 2.790 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.143 9.731 4.122 1.00 0.00 C ATOM 1260 CG GLU A 84 -1.244 10.812 4.206 1.00 0.00 C ATOM 1261 CD GLU A 84 -0.741 12.253 4.029 1.00 0.00 C ATOM 1262 OE1 GLU A 84 0.023 12.738 4.893 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -1.144 12.928 3.060 1.00 0.00 O ATOM 0 H GLU A 84 -1.319 9.107 1.880 1.00 0.00 H new ATOM 0 HA GLU A 84 1.235 10.391 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.580 8.775 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.625 9.966 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.995 10.607 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.741 10.731 5.173 1.00 0.00 H new ATOM 1270 N VAL A 85 2.631 8.249 2.554 1.00 0.00 N ATOM 1271 CA VAL A 85 3.475 7.037 2.458 1.00 0.00 C ATOM 1272 C VAL A 85 4.484 7.006 3.618 1.00 0.00 C ATOM 1273 O VAL A 85 5.280 7.934 3.752 1.00 0.00 O ATOM 1274 CB VAL A 85 4.253 6.958 1.089 1.00 0.00 C ATOM 1275 CG1 VAL A 85 5.028 5.616 0.972 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.303 7.162 -0.113 1.00 0.00 C ATOM 0 H VAL A 85 3.159 9.120 2.498 1.00 0.00 H new ATOM 0 HA VAL A 85 2.809 6.176 2.514 1.00 0.00 H new ATOM 0 HB VAL A 85 4.980 7.770 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.557 5.583 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.745 5.538 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.325 4.784 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.872 7.102 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.536 6.387 -0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.830 8.141 -0.041 1.00 0.00 H new ATOM 1286 N PHE A 86 4.451 5.937 4.448 1.00 0.00 N ATOM 1287 CA PHE A 86 5.329 5.789 5.637 1.00 0.00 C ATOM 1288 C PHE A 86 6.223 4.542 5.508 1.00 0.00 C ATOM 1289 O PHE A 86 5.834 3.562 4.872 1.00 0.00 O ATOM 1290 CB PHE A 86 4.472 5.643 6.924 1.00 0.00 C ATOM 1291 CG PHE A 86 3.384 6.703 7.070 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.676 7.972 7.571 1.00 0.00 C ATOM 1293 CD2 PHE A 86 2.064 6.432 6.700 1.00 0.00 C ATOM 1294 CE1 PHE A 86 2.690 8.931 7.694 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.084 7.392 6.824 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.395 8.637 7.324 1.00 0.00 C ATOM 0 H PHE A 86 3.815 5.151 4.314 1.00 0.00 H new ATOM 0 HA PHE A 86 5.953 6.681 5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.007 4.657 6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.129 5.690 7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.688 8.208 7.867 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.809 5.457 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.933 9.910 8.080 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.070 7.168 6.529 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.622 9.385 7.426 1.00 0.00 H new ATOM 1306 N LYS A 87 7.424 4.598 6.112 1.00 0.00 N ATOM 1307 CA LYS A 87 8.270 3.418 6.340 1.00 0.00 C ATOM 1308 C LYS A 87 7.558 2.429 7.279 1.00 0.00 C ATOM 1309 O LYS A 87 7.250 2.759 8.427 1.00 0.00 O ATOM 1310 CB LYS A 87 9.641 3.837 6.937 1.00 0.00 C ATOM 1311 CG LYS A 87 10.599 4.485 5.919 1.00 0.00 C ATOM 1312 CD LYS A 87 11.964 4.849 6.543 1.00 0.00 C ATOM 1313 CE LYS A 87 12.985 5.277 5.481 1.00 0.00 C ATOM 1314 NZ LYS A 87 13.248 4.188 4.498 1.00 0.00 N ATOM 0 H LYS A 87 7.834 5.467 6.456 1.00 0.00 H new ATOM 0 HA LYS A 87 8.447 2.928 5.383 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.470 4.537 7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.123 2.958 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.755 3.801 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.137 5.385 5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.830 5.656 7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.351 3.992 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.617 6.159 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.918 5.561 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.137 4.382 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.325 3.280 4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.466 4.141 3.814 1.00 0.00 H new ATOM 1328 N SER A 88 7.273 1.245 6.751 1.00 0.00 N ATOM 1329 CA SER A 88 6.629 0.156 7.493 1.00 0.00 C ATOM 1330 C SER A 88 7.503 -1.095 7.378 1.00 0.00 C ATOM 1331 O SER A 88 8.718 -0.974 7.212 1.00 0.00 O ATOM 1332 CB SER A 88 5.213 -0.050 6.913 1.00 0.00 C ATOM 1333 OG SER A 88 4.527 1.180 6.877 1.00 0.00 O ATOM 0 H SER A 88 7.484 1.006 5.782 1.00 0.00 H new ATOM 0 HA SER A 88 6.526 0.387 8.553 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.279 -0.469 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.662 -0.766 7.522 1.00 0.00 H new ATOM 0 HG SER A 88 4.174 1.384 7.768 1.00 0.00 H new ATOM 1339 N ASN A 89 6.888 -2.278 7.502 1.00 0.00 N ATOM 1340 CA ASN A 89 7.562 -3.573 7.329 1.00 0.00 C ATOM 1341 C ASN A 89 6.519 -4.683 7.136 1.00 0.00 C ATOM 1342 O ASN A 89 5.309 -4.444 7.252 1.00 0.00 O ATOM 1343 CB ASN A 89 8.525 -3.891 8.528 1.00 0.00 C ATOM 1344 CG ASN A 89 7.920 -3.683 9.920 1.00 0.00 C ATOM 1345 OD1 ASN A 89 6.723 -3.770 10.111 1.00 0.00 O ATOM 1346 ND2 ASN A 89 8.753 -3.406 10.911 1.00 0.00 N ATOM 0 H ASN A 89 5.897 -2.365 7.728 1.00 0.00 H new ATOM 0 HA ASN A 89 8.183 -3.520 6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.856 -4.926 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.412 -3.265 8.437 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.393 -3.262 11.854 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.755 -3.337 10.731 1.00 0.00 H new ATOM 1353 N ASN A 90 7.015 -5.892 6.835 1.00 0.00 N ATOM 1354 CA ASN A 90 6.189 -7.106 6.670 1.00 0.00 C ATOM 1355 C ASN A 90 5.502 -7.471 7.994 1.00 0.00 C ATOM 1356 O ASN A 90 4.383 -7.994 7.998 1.00 0.00 O ATOM 1357 CB ASN A 90 7.083 -8.283 6.177 1.00 0.00 C ATOM 1358 CG ASN A 90 6.366 -9.634 6.054 1.00 0.00 C ATOM 1359 OD1 ASN A 90 5.193 -9.707 5.693 1.00 0.00 O ATOM 1360 ND2 ASN A 90 7.069 -10.711 6.364 1.00 0.00 N ATOM 0 H ASN A 90 8.011 -6.060 6.697 1.00 0.00 H new ATOM 0 HA ASN A 90 5.415 -6.912 5.927 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.500 -8.020 5.205 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.922 -8.395 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.639 -11.634 6.307 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.041 -10.618 6.660 1.00 0.00 H new ATOM 1367 N VAL A 91 6.178 -7.146 9.115 1.00 0.00 N ATOM 1368 CA VAL A 91 5.733 -7.478 10.473 1.00 0.00 C ATOM 1369 C VAL A 91 4.428 -6.715 10.814 1.00 0.00 C ATOM 1370 O VAL A 91 3.456 -7.305 11.297 1.00 0.00 O ATOM 1371 CB VAL A 91 6.862 -7.122 11.515 1.00 0.00 C ATOM 1372 CG1 VAL A 91 6.481 -7.587 12.926 1.00 0.00 C ATOM 1373 CG2 VAL A 91 8.230 -7.711 11.092 1.00 0.00 C ATOM 0 H VAL A 91 7.062 -6.637 9.096 1.00 0.00 H new ATOM 0 HA VAL A 91 5.532 -8.548 10.524 1.00 0.00 H new ATOM 0 HB VAL A 91 6.958 -6.036 11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.279 -7.328 13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.557 -7.097 13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.336 -8.667 12.926 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.985 -7.446 11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.153 -8.796 11.024 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.516 -7.306 10.121 1.00 0.00 H new ATOM 1383 N GLU A 92 4.437 -5.403 10.524 1.00 0.00 N ATOM 1384 CA GLU A 92 3.289 -4.502 10.721 1.00 0.00 C ATOM 1385 C GLU A 92 2.141 -4.903 9.792 1.00 0.00 C ATOM 1386 O GLU A 92 0.995 -5.021 10.230 1.00 0.00 O ATOM 1387 CB GLU A 92 3.681 -3.021 10.449 1.00 0.00 C ATOM 1388 CG GLU A 92 2.493 -2.026 10.505 1.00 0.00 C ATOM 1389 CD GLU A 92 2.894 -0.547 10.381 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.767 -0.089 11.151 1.00 0.00 O ATOM 1391 OE2 GLU A 92 2.316 0.174 9.543 1.00 0.00 O ATOM 0 H GLU A 92 5.256 -4.931 10.140 1.00 0.00 H new ATOM 0 HA GLU A 92 2.970 -4.590 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.430 -2.716 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.148 -2.956 9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.794 -2.268 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.961 -2.168 11.446 1.00 0.00 H new ATOM 1398 N MET A 93 2.492 -5.110 8.505 1.00 0.00 N ATOM 1399 CA MET A 93 1.544 -5.516 7.452 1.00 0.00 C ATOM 1400 C MET A 93 0.754 -6.765 7.885 1.00 0.00 C ATOM 1401 O MET A 93 -0.471 -6.804 7.781 1.00 0.00 O ATOM 1402 CB MET A 93 2.312 -5.779 6.128 1.00 0.00 C ATOM 1403 CG MET A 93 1.439 -6.241 4.955 1.00 0.00 C ATOM 1404 SD MET A 93 2.330 -6.291 3.383 1.00 0.00 S ATOM 1405 CE MET A 93 3.623 -7.488 3.720 1.00 0.00 C ATOM 0 H MET A 93 3.448 -4.999 8.168 1.00 0.00 H new ATOM 0 HA MET A 93 0.829 -4.709 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.830 -4.865 5.838 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.076 -6.534 6.312 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.044 -7.233 5.173 1.00 0.00 H new ATOM 0 HG3 MET A 93 0.584 -5.571 4.860 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.740 -8.149 2.861 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.562 -6.967 3.907 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.354 -8.077 4.597 1.00 0.00 H new ATOM 1415 N ASP A 94 1.484 -7.738 8.451 1.00 0.00 N ATOM 1416 CA ASP A 94 0.913 -9.008 8.924 1.00 0.00 C ATOM 1417 C ASP A 94 -0.032 -8.789 10.127 1.00 0.00 C ATOM 1418 O ASP A 94 -1.139 -9.343 10.154 1.00 0.00 O ATOM 1419 CB ASP A 94 2.045 -9.998 9.292 1.00 0.00 C ATOM 1420 CG ASP A 94 1.509 -11.331 9.843 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.991 -12.143 9.048 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.582 -11.562 11.072 1.00 0.00 O ATOM 0 H ASP A 94 2.491 -7.666 8.594 1.00 0.00 H new ATOM 0 HA ASP A 94 0.321 -9.435 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.654 -10.193 8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.698 -9.538 10.034 1.00 0.00 H new ATOM 1427 N TRP A 95 0.418 -7.975 11.108 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.354 -7.667 12.340 1.00 0.00 C ATOM 1429 C TRP A 95 -1.700 -6.983 12.031 1.00 0.00 C ATOM 1430 O TRP A 95 -2.721 -7.317 12.637 1.00 0.00 O ATOM 1431 CB TRP A 95 0.485 -6.763 13.300 1.00 0.00 C ATOM 1432 CG TRP A 95 1.550 -7.484 14.094 1.00 0.00 C ATOM 1433 CD1 TRP A 95 1.537 -8.790 14.496 1.00 0.00 C ATOM 1434 CD2 TRP A 95 2.750 -6.914 14.639 1.00 0.00 C ATOM 1435 NE1 TRP A 95 2.646 -9.064 15.252 1.00 0.00 N ATOM 1436 CE2 TRP A 95 3.407 -7.933 15.357 1.00 0.00 C ATOM 1437 CE3 TRP A 95 3.329 -5.641 14.594 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 4.611 -7.724 16.020 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 4.528 -5.432 15.250 1.00 0.00 C ATOM 1440 CH2 TRP A 95 5.154 -6.466 15.963 1.00 0.00 C ATOM 0 H TRP A 95 1.326 -7.512 11.071 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.568 -8.619 12.825 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.961 -5.979 12.711 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.194 -6.271 13.996 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.764 -9.504 14.253 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.868 -9.967 15.670 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.848 -4.837 14.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.100 -8.522 16.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.991 -4.457 15.213 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.083 -6.267 16.477 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.679 -6.036 11.081 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.860 -5.218 10.738 1.00 0.00 C ATOM 1453 C VAL A 96 -3.812 -5.994 9.787 1.00 0.00 C ATOM 1454 O VAL A 96 -5.016 -5.727 9.744 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.437 -3.820 10.136 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.667 -2.909 9.897 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.409 -3.104 11.057 1.00 0.00 C ATOM 0 H VAL A 96 -0.850 -5.814 10.530 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.409 -5.014 11.657 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.966 -4.013 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.339 -1.956 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.348 -3.394 9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.181 -2.736 10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.135 -2.144 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.852 -2.941 12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.518 -3.724 11.159 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.273 -6.985 9.047 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.100 -7.892 8.216 1.00 0.00 C ATOM 1469 C LEU A 97 -4.705 -9.037 9.070 1.00 0.00 C ATOM 1470 O LEU A 97 -5.730 -9.609 8.696 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.280 -8.451 7.017 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.886 -7.407 5.912 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.980 -8.048 4.836 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -4.136 -6.751 5.274 1.00 0.00 C ATOM 0 H LEU A 97 -2.272 -7.179 9.006 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.929 -7.313 7.809 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.367 -8.903 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.856 -9.248 6.548 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.317 -6.616 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.724 -7.301 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.068 -8.421 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.508 -8.875 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.823 -6.035 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.756 -7.520 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.710 -6.236 6.044 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.064 -9.360 10.219 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.620 -10.310 11.216 1.00 0.00 C ATOM 1488 C LYS A 98 -5.659 -9.601 12.092 1.00 0.00 C ATOM 1489 O LYS A 98 -6.697 -10.174 12.450 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.490 -10.895 12.130 1.00 0.00 C ATOM 1491 CG LYS A 98 -2.694 -12.078 11.534 1.00 0.00 C ATOM 1492 CD LYS A 98 -1.655 -12.643 12.541 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.056 -13.988 12.096 1.00 0.00 C ATOM 1494 NZ LYS A 98 -0.362 -13.900 10.791 1.00 0.00 N ATOM 0 H LYS A 98 -3.156 -8.975 10.480 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.090 -11.130 10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.791 -10.094 12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.938 -11.219 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.384 -12.870 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.182 -11.752 10.629 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.851 -11.918 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.131 -12.768 13.514 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.354 -14.337 12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.851 -14.731 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.781 -14.584 10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.464 -12.939 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.647 -14.116 10.919 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.359 -8.345 12.429 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.135 -7.530 13.367 1.00 0.00 C ATOM 1510 C HIS A 99 -6.180 -6.093 12.824 1.00 0.00 C ATOM 1511 O HIS A 99 -5.259 -5.303 13.074 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.510 -7.561 14.801 1.00 0.00 C ATOM 1513 CG HIS A 99 -5.599 -8.889 15.527 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -6.546 -9.161 16.492 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -4.860 -10.016 15.422 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -6.389 -10.394 16.934 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -5.371 -10.934 16.305 1.00 0.00 N ATOM 0 H HIS A 99 -4.550 -7.854 12.048 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.144 -7.933 13.453 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.460 -7.278 14.726 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.002 -6.802 15.409 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.019 -10.167 14.762 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.995 -10.877 17.686 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -5.018 -11.880 16.449 1.00 0.00 H new