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 Single : A 14 LYS NZ :NH3+ -158:sc= 0.2 (180deg=0.0621) USER MOD Single : A 21 SER OG : rot -42:sc= 0.39 USER MOD Single : A 22 CYS SG : rot -88:sc= 0.419 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.177 K(o=-0.18,f=-3.7!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 70:sc= -0.256 USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= -0.133 (180deg=-0.825) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.431 F(o=-1.2,f=-0.43) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -71:sc= 0.983 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0319 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0.418 (180deg=0.303) USER MOD Single : A 73 LYS NZ :NH3+ 167:sc= -0.103 (180deg=-0.503) USER MOD Single : A 77 THR OG1 : rot 31:sc= 0.1 USER MOD Single : A 78 MET CE :methyl 166:sc= -0.841 (180deg=-1.03) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 0.569 (180deg=0.492) USER MOD Single : A 88 SER OG : rot 67:sc= -0.134 USER MOD Single : A 89 ASN : amide:sc= 0.0426 K(o=0.043,f=-2) USER MOD Single : A 90 ASN : amide:sc= 0.0641 X(o=0.064,f=0) USER MOD Single : A 93 MET CE :methyl -129:sc= -0.515 (180deg=-2.29!) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc=-0.00317 (180deg=-0.0664) USER MOD Single : A 99 HIS : no HD1:sc= -0.0032 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PHE A 11 11.011 -3.483 3.911 1.00 0.00 N ATOM 84 CA PHE A 11 11.014 -3.201 2.457 1.00 0.00 C ATOM 85 C PHE A 11 9.574 -2.996 1.937 1.00 0.00 C ATOM 86 O PHE A 11 9.319 -3.013 0.735 1.00 0.00 O ATOM 87 CB PHE A 11 11.725 -4.353 1.697 1.00 0.00 C ATOM 88 CG PHE A 11 13.120 -4.657 2.240 1.00 0.00 C ATOM 89 CD1 PHE A 11 14.168 -3.760 2.051 1.00 0.00 C ATOM 90 CD2 PHE A 11 13.371 -5.815 2.973 1.00 0.00 C ATOM 91 CE1 PHE A 11 15.422 -4.016 2.567 1.00 0.00 C ATOM 92 CE2 PHE A 11 14.625 -6.068 3.493 1.00 0.00 C ATOM 93 CZ PHE A 11 15.649 -5.169 3.291 1.00 0.00 C ATOM 0 HA PHE A 11 11.564 -2.277 2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.113 -5.253 1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.801 -4.091 0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.997 -2.851 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.574 -6.525 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.226 -3.314 2.404 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.803 -6.971 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.629 -5.366 3.699 1.00 0.00 H new ATOM 103 N VAL A 12 8.647 -2.790 2.876 1.00 0.00 N ATOM 104 CA VAL A 12 7.226 -2.533 2.613 1.00 0.00 C ATOM 105 C VAL A 12 6.940 -1.068 2.961 1.00 0.00 C ATOM 106 O VAL A 12 7.492 -0.554 3.934 1.00 0.00 O ATOM 107 CB VAL A 12 6.338 -3.485 3.505 1.00 0.00 C ATOM 108 CG1 VAL A 12 4.823 -3.273 3.264 1.00 0.00 C ATOM 109 CG2 VAL A 12 6.730 -4.969 3.277 1.00 0.00 C ATOM 0 H VAL A 12 8.870 -2.797 3.871 1.00 0.00 H new ATOM 0 HA VAL A 12 6.990 -2.724 1.566 1.00 0.00 H new ATOM 0 HB VAL A 12 6.533 -3.226 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.255 -3.951 3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.557 -2.243 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.589 -3.475 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.107 -5.610 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.581 -5.228 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.778 -5.113 3.541 1.00 0.00 H new ATOM 119 N VAL A 13 6.133 -0.374 2.155 1.00 0.00 N ATOM 120 CA VAL A 13 5.583 0.949 2.524 1.00 0.00 C ATOM 121 C VAL A 13 4.099 0.811 2.843 1.00 0.00 C ATOM 122 O VAL A 13 3.489 -0.226 2.579 1.00 0.00 O ATOM 123 CB VAL A 13 5.788 2.026 1.398 1.00 0.00 C ATOM 124 CG1 VAL A 13 7.289 2.312 1.194 1.00 0.00 C ATOM 125 CG2 VAL A 13 5.103 1.614 0.067 1.00 0.00 C ATOM 0 H VAL A 13 5.840 -0.702 1.235 1.00 0.00 H new ATOM 0 HA VAL A 13 6.129 1.296 3.401 1.00 0.00 H new ATOM 0 HB VAL A 13 5.305 2.946 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.414 3.060 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.718 2.685 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.798 1.393 0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.270 2.387 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.525 0.672 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.032 1.493 0.231 1.00 0.00 H new ATOM 135 N LYS A 14 3.527 1.876 3.402 1.00 0.00 N ATOM 136 CA LYS A 14 2.123 1.931 3.766 1.00 0.00 C ATOM 137 C LYS A 14 1.517 3.146 3.076 1.00 0.00 C ATOM 138 O LYS A 14 1.997 4.257 3.252 1.00 0.00 O ATOM 139 CB LYS A 14 1.916 2.032 5.296 1.00 0.00 C ATOM 140 CG LYS A 14 0.430 1.916 5.686 1.00 0.00 C ATOM 141 CD LYS A 14 0.143 2.005 7.192 1.00 0.00 C ATOM 142 CE LYS A 14 -1.308 1.585 7.493 1.00 0.00 C ATOM 143 NZ LYS A 14 -1.685 1.797 8.896 1.00 0.00 N ATOM 0 H LYS A 14 4.037 2.733 3.615 1.00 0.00 H new ATOM 0 HA LYS A 14 1.636 1.009 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.483 1.244 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.312 2.983 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.125 2.705 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.046 0.966 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.834 1.363 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.312 3.024 7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.985 2.149 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.435 0.532 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.490 1.184 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.879 1.566 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.954 2.792 9.037 1.00 0.00 H new ATOM 157 N VAL A 15 0.449 2.920 2.320 1.00 0.00 N ATOM 158 CA VAL A 15 -0.160 3.916 1.448 1.00 0.00 C ATOM 159 C VAL A 15 -1.546 4.276 1.996 1.00 0.00 C ATOM 160 O VAL A 15 -2.384 3.397 2.206 1.00 0.00 O ATOM 161 CB VAL A 15 -0.263 3.355 -0.013 1.00 0.00 C ATOM 162 CG1 VAL A 15 -0.881 4.386 -0.978 1.00 0.00 C ATOM 163 CG2 VAL A 15 1.125 2.888 -0.515 1.00 0.00 C ATOM 0 H VAL A 15 -0.028 2.019 2.296 1.00 0.00 H new ATOM 0 HA VAL A 15 0.455 4.815 1.421 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.930 2.493 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.935 3.960 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.884 4.646 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.261 5.282 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.034 2.502 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.817 3.730 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.503 2.102 0.139 1.00 0.00 H new ATOM 173 N ARG A 16 -1.768 5.574 2.217 1.00 0.00 N ATOM 174 CA ARG A 16 -3.015 6.106 2.783 1.00 0.00 C ATOM 175 C ARG A 16 -3.668 7.026 1.751 1.00 0.00 C ATOM 176 O ARG A 16 -2.971 7.685 0.969 1.00 0.00 O ATOM 177 CB ARG A 16 -2.766 6.882 4.103 1.00 0.00 C ATOM 178 CG ARG A 16 -2.095 6.072 5.236 1.00 0.00 C ATOM 179 CD ARG A 16 -2.107 6.829 6.582 1.00 0.00 C ATOM 180 NE ARG A 16 -3.483 7.019 7.097 1.00 0.00 N ATOM 181 CZ ARG A 16 -3.823 7.721 8.193 1.00 0.00 C ATOM 182 NH1 ARG A 16 -2.911 8.383 8.896 1.00 0.00 N ATOM 183 NH2 ARG A 16 -5.089 7.750 8.583 1.00 0.00 N ATOM 0 H ARG A 16 -1.079 6.296 2.006 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.673 5.270 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.143 7.749 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.721 7.260 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.611 5.119 5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.066 5.846 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.518 6.277 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.629 7.801 6.456 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.240 6.578 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.933 8.365 8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.189 8.910 9.724 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.798 7.242 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.355 8.280 9.413 1.00 0.00 H new ATOM 197 N GLY A 17 -5.004 7.090 1.778 1.00 0.00 N ATOM 198 CA GLY A 17 -5.766 7.862 0.800 1.00 0.00 C ATOM 199 C GLY A 17 -6.140 7.043 -0.429 1.00 0.00 C ATOM 200 O GLY A 17 -6.297 7.584 -1.530 1.00 0.00 O ATOM 0 H GLY A 17 -5.579 6.612 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.674 8.241 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.181 8.728 0.491 1.00 0.00 H new ATOM 204 N LEU A 18 -6.275 5.723 -0.241 1.00 0.00 N ATOM 205 CA LEU A 18 -6.749 4.809 -1.291 1.00 0.00 C ATOM 206 C LEU A 18 -8.272 4.633 -1.157 1.00 0.00 C ATOM 207 O LEU A 18 -8.740 4.257 -0.072 1.00 0.00 O ATOM 208 CB LEU A 18 -6.033 3.438 -1.201 1.00 0.00 C ATOM 209 CG LEU A 18 -4.487 3.473 -1.400 1.00 0.00 C ATOM 210 CD1 LEU A 18 -3.891 2.054 -1.411 1.00 0.00 C ATOM 211 CD2 LEU A 18 -4.098 4.249 -2.681 1.00 0.00 C ATOM 0 H LEU A 18 -6.059 5.259 0.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.516 5.238 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.246 3.000 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.463 2.773 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.062 4.006 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.812 2.114 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.107 1.561 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.332 1.481 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.013 4.254 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.547 3.766 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.460 5.275 -2.609 1.00 0.00 H new ATOM 223 N PRO A 19 -9.075 4.959 -2.230 1.00 0.00 N ATOM 224 CA PRO A 19 -10.546 4.746 -2.233 1.00 0.00 C ATOM 225 C PRO A 19 -10.949 3.288 -1.897 1.00 0.00 C ATOM 226 O PRO A 19 -10.214 2.346 -2.205 1.00 0.00 O ATOM 227 CB PRO A 19 -10.968 5.122 -3.683 1.00 0.00 C ATOM 228 CG PRO A 19 -9.910 6.076 -4.142 1.00 0.00 C ATOM 229 CD PRO A 19 -8.621 5.603 -3.502 1.00 0.00 C ATOM 0 HA PRO A 19 -11.039 5.344 -1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.015 4.242 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.955 5.584 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.829 6.077 -5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.145 7.096 -3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.091 4.897 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.940 6.433 -3.311 1.00 0.00 H new ATOM 237 N TRP A 20 -12.132 3.122 -1.279 1.00 0.00 N ATOM 238 CA TRP A 20 -12.682 1.793 -0.922 1.00 0.00 C ATOM 239 C TRP A 20 -12.956 0.943 -2.191 1.00 0.00 C ATOM 240 O TRP A 20 -12.966 -0.290 -2.152 1.00 0.00 O ATOM 241 CB TRP A 20 -13.987 1.965 -0.100 1.00 0.00 C ATOM 242 CG TRP A 20 -15.165 2.489 -0.904 1.00 0.00 C ATOM 243 CD1 TRP A 20 -15.354 3.762 -1.370 1.00 0.00 C ATOM 244 CD2 TRP A 20 -16.298 1.733 -1.353 1.00 0.00 C ATOM 245 NE1 TRP A 20 -16.526 3.838 -2.078 1.00 0.00 N ATOM 246 CE2 TRP A 20 -17.124 2.604 -2.083 1.00 0.00 C ATOM 247 CE3 TRP A 20 -16.691 0.398 -1.202 1.00 0.00 C ATOM 248 CZ2 TRP A 20 -18.310 2.186 -2.671 1.00 0.00 C ATOM 249 CZ3 TRP A 20 -17.873 -0.020 -1.784 1.00 0.00 C ATOM 250 CH2 TRP A 20 -18.670 0.873 -2.513 1.00 0.00 C ATOM 0 H TRP A 20 -12.735 3.900 -1.012 1.00 0.00 H new ATOM 0 HA TRP A 20 -11.943 1.267 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -14.258 1.003 0.336 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -13.794 2.647 0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -14.678 4.588 -1.204 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -16.893 4.676 -2.528 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -16.081 -0.294 -0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -18.927 2.871 -3.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -18.186 -1.048 -1.676 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -19.587 0.519 -2.960 1.00 0.00 H new ATOM 261 N SER A 21 -13.188 1.646 -3.304 1.00 0.00 N ATOM 262 CA SER A 21 -13.579 1.054 -4.585 1.00 0.00 C ATOM 263 C SER A 21 -12.427 1.142 -5.611 1.00 0.00 C ATOM 264 O SER A 21 -12.659 0.995 -6.823 1.00 0.00 O ATOM 265 CB SER A 21 -14.848 1.797 -5.084 1.00 0.00 C ATOM 266 OG SER A 21 -15.425 1.178 -6.219 1.00 0.00 O ATOM 0 H SER A 21 -13.107 2.662 -3.339 1.00 0.00 H new ATOM 0 HA SER A 21 -13.799 -0.006 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.584 1.834 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.590 2.828 -5.328 1.00 0.00 H new ATOM 0 HG SER A 21 -14.717 0.908 -6.840 1.00 0.00 H new ATOM 272 N CYS A 22 -11.172 1.343 -5.132 1.00 0.00 N ATOM 273 CA CYS A 22 -9.996 1.441 -6.022 1.00 0.00 C ATOM 274 C CYS A 22 -9.559 0.033 -6.481 1.00 0.00 C ATOM 275 O CYS A 22 -10.146 -0.980 -6.068 1.00 0.00 O ATOM 276 CB CYS A 22 -8.828 2.166 -5.307 1.00 0.00 C ATOM 277 SG CYS A 22 -8.138 1.272 -3.897 1.00 0.00 S ATOM 0 H CYS A 22 -10.954 1.439 -4.140 1.00 0.00 H new ATOM 0 HA CYS A 22 -10.272 2.025 -6.900 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -8.033 2.347 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.177 3.141 -4.967 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.801 1.580 -2.822 1.00 0.00 H new ATOM 283 N SER A 23 -8.526 -0.032 -7.333 1.00 0.00 N ATOM 284 CA SER A 23 -7.973 -1.295 -7.845 1.00 0.00 C ATOM 285 C SER A 23 -6.454 -1.321 -7.623 1.00 0.00 C ATOM 286 O SER A 23 -5.796 -0.271 -7.650 1.00 0.00 O ATOM 287 CB SER A 23 -8.306 -1.448 -9.349 1.00 0.00 C ATOM 288 OG SER A 23 -7.792 -2.656 -9.877 1.00 0.00 O ATOM 0 H SER A 23 -8.047 0.795 -7.689 1.00 0.00 H new ATOM 0 HA SER A 23 -8.421 -2.130 -7.307 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.387 -1.421 -9.487 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.893 -0.604 -9.901 1.00 0.00 H new ATOM 0 HG SER A 23 -8.021 -2.721 -10.828 1.00 0.00 H new ATOM 294 N ALA A 24 -5.919 -2.538 -7.406 1.00 0.00 N ATOM 295 CA ALA A 24 -4.469 -2.790 -7.281 1.00 0.00 C ATOM 296 C ALA A 24 -3.722 -2.362 -8.555 1.00 0.00 C ATOM 297 O ALA A 24 -2.579 -1.920 -8.487 1.00 0.00 O ATOM 298 CB ALA A 24 -4.214 -4.274 -6.967 1.00 0.00 C ATOM 0 H ALA A 24 -6.485 -3.381 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.085 -2.190 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.142 -4.448 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.704 -4.537 -6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.615 -4.890 -7.772 1.00 0.00 H new ATOM 304 N ASP A 25 -4.390 -2.513 -9.718 1.00 0.00 N ATOM 305 CA ASP A 25 -3.902 -2.009 -11.019 1.00 0.00 C ATOM 306 C ASP A 25 -3.598 -0.508 -10.955 1.00 0.00 C ATOM 307 O ASP A 25 -2.521 -0.076 -11.352 1.00 0.00 O ATOM 308 CB ASP A 25 -4.954 -2.267 -12.133 1.00 0.00 C ATOM 309 CG ASP A 25 -5.294 -3.756 -12.304 1.00 0.00 C ATOM 310 OD1 ASP A 25 -6.000 -4.320 -11.442 1.00 0.00 O ATOM 311 OD2 ASP A 25 -4.845 -4.383 -13.288 1.00 0.00 O ATOM 0 H ASP A 25 -5.289 -2.991 -9.781 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.982 -2.546 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.865 -1.716 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.578 -1.875 -13.078 1.00 0.00 H new ATOM 316 N GLU A 26 -4.546 0.263 -10.392 1.00 0.00 N ATOM 317 CA GLU A 26 -4.471 1.738 -10.341 1.00 0.00 C ATOM 318 C GLU A 26 -3.355 2.213 -9.394 1.00 0.00 C ATOM 319 O GLU A 26 -2.612 3.145 -9.719 1.00 0.00 O ATOM 320 CB GLU A 26 -5.844 2.318 -9.904 1.00 0.00 C ATOM 321 CG GLU A 26 -7.045 1.815 -10.737 1.00 0.00 C ATOM 322 CD GLU A 26 -6.889 2.063 -12.245 1.00 0.00 C ATOM 323 OE1 GLU A 26 -7.219 3.171 -12.709 1.00 0.00 O ATOM 324 OE2 GLU A 26 -6.423 1.156 -12.971 1.00 0.00 O ATOM 0 H GLU A 26 -5.387 -0.118 -9.959 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.229 2.104 -11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.014 2.067 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.802 3.405 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.176 0.747 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.952 2.308 -10.387 1.00 0.00 H new ATOM 331 N VAL A 27 -3.229 1.542 -8.239 1.00 0.00 N ATOM 332 CA VAL A 27 -2.194 1.862 -7.228 1.00 0.00 C ATOM 333 C VAL A 27 -0.794 1.484 -7.776 1.00 0.00 C ATOM 334 O VAL A 27 0.199 2.160 -7.492 1.00 0.00 O ATOM 335 CB VAL A 27 -2.482 1.140 -5.855 1.00 0.00 C ATOM 336 CG1 VAL A 27 -1.455 1.539 -4.762 1.00 0.00 C ATOM 337 CG2 VAL A 27 -3.932 1.414 -5.384 1.00 0.00 C ATOM 0 H VAL A 27 -3.835 0.765 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.220 2.934 -7.034 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.372 0.068 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.691 1.019 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.452 1.263 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.500 2.615 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.109 0.907 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.076 2.487 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.634 1.042 -6.131 1.00 0.00 H new ATOM 347 N GLN A 28 -0.756 0.427 -8.613 1.00 0.00 N ATOM 348 CA GLN A 28 0.461 -0.013 -9.327 1.00 0.00 C ATOM 349 C GLN A 28 0.895 1.045 -10.363 1.00 0.00 C ATOM 350 O GLN A 28 2.088 1.327 -10.507 1.00 0.00 O ATOM 351 CB GLN A 28 0.214 -1.386 -10.015 1.00 0.00 C ATOM 352 CG GLN A 28 1.416 -1.958 -10.796 1.00 0.00 C ATOM 353 CD GLN A 28 1.103 -3.263 -11.532 1.00 0.00 C ATOM 354 OE1 GLN A 28 -0.033 -3.515 -11.934 1.00 0.00 O ATOM 355 NE2 GLN A 28 2.113 -4.098 -11.718 1.00 0.00 N ATOM 0 H GLN A 28 -1.574 -0.149 -8.814 1.00 0.00 H new ATOM 0 HA GLN A 28 1.267 -0.129 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.080 -2.108 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.628 -1.284 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.756 -1.216 -11.518 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.240 -2.130 -10.104 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.042 -3.859 -11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.962 -4.980 -12.207 1.00 0.00 H new ATOM 364 N ARG A 29 -0.095 1.618 -11.090 1.00 0.00 N ATOM 365 CA ARG A 29 0.144 2.703 -12.067 1.00 0.00 C ATOM 366 C ARG A 29 0.625 3.984 -11.370 1.00 0.00 C ATOM 367 O ARG A 29 1.472 4.707 -11.905 1.00 0.00 O ATOM 368 CB ARG A 29 -1.137 3.016 -12.896 1.00 0.00 C ATOM 369 CG ARG A 29 -1.699 1.831 -13.705 1.00 0.00 C ATOM 370 CD ARG A 29 -0.634 1.107 -14.548 1.00 0.00 C ATOM 371 NE ARG A 29 -1.209 0.018 -15.357 1.00 0.00 N ATOM 372 CZ ARG A 29 -1.377 -1.249 -14.953 1.00 0.00 C ATOM 373 NH1 ARG A 29 -1.098 -1.621 -13.703 1.00 0.00 N ATOM 374 NH2 ARG A 29 -1.849 -2.136 -15.798 1.00 0.00 N ATOM 0 H ARG A 29 -1.074 1.342 -11.015 1.00 0.00 H new ATOM 0 HA ARG A 29 0.923 2.352 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.912 3.372 -12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.915 3.832 -13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.156 1.117 -13.020 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.489 2.192 -14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.144 1.825 -15.205 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.134 0.701 -13.889 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.505 0.248 -16.306 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.749 -0.936 -13.033 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.233 -2.591 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.084 -1.858 -16.751 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.981 -3.103 -15.502 1.00 0.00 H new ATOM 388 N PHE A 30 0.072 4.257 -10.176 1.00 0.00 N ATOM 389 CA PHE A 30 0.462 5.421 -9.371 1.00 0.00 C ATOM 390 C PHE A 30 1.901 5.255 -8.851 1.00 0.00 C ATOM 391 O PHE A 30 2.634 6.227 -8.729 1.00 0.00 O ATOM 392 CB PHE A 30 -0.536 5.629 -8.197 1.00 0.00 C ATOM 393 CG PHE A 30 -0.216 6.849 -7.337 1.00 0.00 C ATOM 394 CD1 PHE A 30 -0.478 8.133 -7.805 1.00 0.00 C ATOM 395 CD2 PHE A 30 0.379 6.717 -6.086 1.00 0.00 C ATOM 396 CE1 PHE A 30 -0.152 9.240 -7.052 1.00 0.00 C ATOM 397 CE2 PHE A 30 0.697 7.822 -5.334 1.00 0.00 C ATOM 398 CZ PHE A 30 0.434 9.086 -5.817 1.00 0.00 C ATOM 0 H PHE A 30 -0.652 3.681 -9.747 1.00 0.00 H new ATOM 0 HA PHE A 30 0.430 6.309 -10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.543 5.732 -8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.535 4.739 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.943 8.264 -8.771 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.594 5.731 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.357 10.230 -7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.154 7.700 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.688 9.954 -5.227 1.00 0.00 H new ATOM 408 N PHE A 31 2.296 4.007 -8.557 1.00 0.00 N ATOM 409 CA PHE A 31 3.671 3.673 -8.134 1.00 0.00 C ATOM 410 C PHE A 31 4.467 3.059 -9.304 1.00 0.00 C ATOM 411 O PHE A 31 5.329 2.196 -9.097 1.00 0.00 O ATOM 412 CB PHE A 31 3.638 2.749 -6.877 1.00 0.00 C ATOM 413 CG PHE A 31 3.208 3.480 -5.596 1.00 0.00 C ATOM 414 CD1 PHE A 31 4.096 4.335 -4.936 1.00 0.00 C ATOM 415 CD2 PHE A 31 1.924 3.339 -5.067 1.00 0.00 C ATOM 416 CE1 PHE A 31 3.716 5.012 -3.789 1.00 0.00 C ATOM 417 CE2 PHE A 31 1.546 4.018 -3.925 1.00 0.00 C ATOM 418 CZ PHE A 31 2.441 4.857 -3.286 1.00 0.00 C ATOM 0 H PHE A 31 1.675 3.200 -8.605 1.00 0.00 H new ATOM 0 HA PHE A 31 4.192 4.586 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.954 1.921 -7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.627 2.317 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.094 4.470 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.215 2.689 -5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.418 5.662 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.549 3.893 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.142 5.390 -2.395 1.00 0.00 H new ATOM 428 N SER A 32 4.203 3.553 -10.538 1.00 0.00 N ATOM 429 CA SER A 32 5.036 3.259 -11.719 1.00 0.00 C ATOM 430 C SER A 32 6.236 4.229 -11.677 1.00 0.00 C ATOM 431 O SER A 32 6.278 5.261 -12.363 1.00 0.00 O ATOM 432 CB SER A 32 4.205 3.403 -13.018 1.00 0.00 C ATOM 433 OG SER A 32 4.964 3.054 -14.158 1.00 0.00 O ATOM 0 H SER A 32 3.410 4.163 -10.737 1.00 0.00 H new ATOM 0 HA SER A 32 5.398 2.231 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.322 2.767 -12.959 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.853 4.430 -13.114 1.00 0.00 H new ATOM 0 HG SER A 32 4.412 3.154 -14.962 1.00 0.00 H new ATOM 439 N ASP A 33 7.199 3.846 -10.836 1.00 0.00 N ATOM 440 CA ASP A 33 8.220 4.732 -10.232 1.00 0.00 C ATOM 441 C ASP A 33 8.948 3.907 -9.166 1.00 0.00 C ATOM 442 O ASP A 33 10.156 4.009 -8.979 1.00 0.00 O ATOM 443 CB ASP A 33 7.573 5.982 -9.575 1.00 0.00 C ATOM 444 CG ASP A 33 8.582 6.953 -8.931 1.00 0.00 C ATOM 445 OD1 ASP A 33 9.134 7.811 -9.654 1.00 0.00 O ATOM 446 OD2 ASP A 33 8.805 6.877 -7.702 1.00 0.00 O ATOM 0 H ASP A 33 7.301 2.875 -10.540 1.00 0.00 H new ATOM 0 HA ASP A 33 8.903 5.092 -11.002 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.000 6.520 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.866 5.653 -8.813 1.00 0.00 H new ATOM 451 N CYS A 34 8.144 3.098 -8.472 1.00 0.00 N ATOM 452 CA CYS A 34 8.594 2.064 -7.542 1.00 0.00 C ATOM 453 C CYS A 34 8.482 0.692 -8.248 1.00 0.00 C ATOM 454 O CYS A 34 7.924 0.597 -9.348 1.00 0.00 O ATOM 455 CB CYS A 34 7.715 2.125 -6.274 1.00 0.00 C ATOM 456 SG CYS A 34 7.625 3.774 -5.537 1.00 0.00 S ATOM 0 H CYS A 34 7.128 3.148 -8.546 1.00 0.00 H new ATOM 0 HA CYS A 34 9.632 2.217 -7.245 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.708 1.792 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.108 1.426 -5.535 1.00 0.00 H new ATOM 0 HG CYS A 34 6.936 4.558 -6.312 1.00 0.00 H new ATOM 462 N LYS A 35 8.985 -0.362 -7.601 1.00 0.00 N ATOM 463 CA LYS A 35 8.984 -1.734 -8.143 1.00 0.00 C ATOM 464 C LYS A 35 8.339 -2.629 -7.090 1.00 0.00 C ATOM 465 O LYS A 35 8.991 -3.046 -6.121 1.00 0.00 O ATOM 466 CB LYS A 35 10.422 -2.226 -8.472 1.00 0.00 C ATOM 467 CG LYS A 35 11.169 -1.452 -9.585 1.00 0.00 C ATOM 468 CD LYS A 35 12.716 -1.653 -9.556 1.00 0.00 C ATOM 469 CE LYS A 35 13.185 -3.133 -9.600 1.00 0.00 C ATOM 470 NZ LYS A 35 13.015 -3.850 -8.299 1.00 0.00 N ATOM 0 H LYS A 35 9.410 -0.292 -6.676 1.00 0.00 H new ATOM 0 HA LYS A 35 8.428 -1.764 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.018 -2.177 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.368 -3.276 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.788 -1.770 -10.555 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.947 -0.389 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.152 -1.124 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.111 -1.189 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.626 -3.661 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.235 -3.165 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.787 -4.536 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.037 -3.163 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.103 -4.350 -8.295 1.00 0.00 H new ATOM 484 N ILE A 36 7.042 -2.849 -7.258 1.00 0.00 N ATOM 485 CA ILE A 36 6.231 -3.596 -6.300 1.00 0.00 C ATOM 486 C ILE A 36 6.522 -5.092 -6.472 1.00 0.00 C ATOM 487 O ILE A 36 6.658 -5.555 -7.616 1.00 0.00 O ATOM 488 CB ILE A 36 4.709 -3.274 -6.494 1.00 0.00 C ATOM 489 CG1 ILE A 36 4.497 -1.727 -6.624 1.00 0.00 C ATOM 490 CG2 ILE A 36 3.878 -3.840 -5.320 1.00 0.00 C ATOM 491 CD1 ILE A 36 3.080 -1.294 -6.948 1.00 0.00 C ATOM 0 H ILE A 36 6.518 -2.513 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 36 6.489 -3.301 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 36 4.367 -3.751 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.799 -1.255 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.162 -1.349 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.825 -3.606 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.006 -4.921 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.217 -3.392 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.038 -0.207 -7.017 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.775 -1.730 -7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.407 -1.634 -6.161 1.00 0.00 H new ATOM 503 N GLN A 37 6.614 -5.812 -5.329 1.00 0.00 N ATOM 504 CA GLN A 37 7.101 -7.209 -5.243 1.00 0.00 C ATOM 505 C GLN A 37 6.482 -8.106 -6.329 1.00 0.00 C ATOM 506 O GLN A 37 7.175 -8.524 -7.259 1.00 0.00 O ATOM 507 CB GLN A 37 6.807 -7.807 -3.832 1.00 0.00 C ATOM 508 CG GLN A 37 7.341 -9.243 -3.624 1.00 0.00 C ATOM 509 CD GLN A 37 8.863 -9.320 -3.508 1.00 0.00 C ATOM 510 OE1 GLN A 37 9.567 -9.456 -4.514 1.00 0.00 O ATOM 511 NE2 GLN A 37 9.384 -9.213 -2.295 1.00 0.00 N ATOM 0 H GLN A 37 6.346 -5.430 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 37 8.178 -7.181 -5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.246 -7.156 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.730 -7.805 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.895 -9.660 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.017 -9.866 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.773 -9.102 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.396 -9.242 -2.170 1.00 0.00 H new ATOM 520 N ASN A 38 5.171 -8.386 -6.217 1.00 0.00 N ATOM 521 CA ASN A 38 4.436 -9.193 -7.212 1.00 0.00 C ATOM 522 C ASN A 38 3.517 -8.284 -8.068 1.00 0.00 C ATOM 523 O ASN A 38 2.424 -8.692 -8.483 1.00 0.00 O ATOM 524 CB ASN A 38 3.625 -10.307 -6.456 1.00 0.00 C ATOM 525 CG ASN A 38 3.667 -11.668 -7.154 1.00 0.00 C ATOM 526 OD1 ASN A 38 2.845 -11.979 -8.013 1.00 0.00 O ATOM 527 ND2 ASN A 38 4.646 -12.484 -6.784 1.00 0.00 N ATOM 0 H ASN A 38 4.593 -8.063 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 38 5.132 -9.676 -7.898 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.021 -10.412 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.587 -9.988 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.734 -13.404 -7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.310 -12.192 -6.067 1.00 0.00 H new ATOM 534 N GLY A 39 4.004 -7.050 -8.347 1.00 0.00 N ATOM 535 CA GLY A 39 3.256 -6.053 -9.128 1.00 0.00 C ATOM 536 C GLY A 39 1.987 -5.603 -8.425 1.00 0.00 C ATOM 537 O GLY A 39 2.044 -5.225 -7.258 1.00 0.00 O ATOM 0 H GLY A 39 4.920 -6.726 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.893 -5.188 -9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.000 -6.474 -10.100 1.00 0.00 H new ATOM 541 N ALA A 40 0.826 -5.696 -9.097 1.00 0.00 N ATOM 542 CA ALA A 40 -0.473 -5.379 -8.476 1.00 0.00 C ATOM 543 C ALA A 40 -0.791 -6.357 -7.325 1.00 0.00 C ATOM 544 O ALA A 40 -1.445 -5.979 -6.353 1.00 0.00 O ATOM 545 CB ALA A 40 -1.586 -5.394 -9.536 1.00 0.00 C ATOM 0 H ALA A 40 0.760 -5.989 -10.072 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.416 -4.377 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.540 -5.158 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.367 -4.652 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.641 -6.382 -9.992 1.00 0.00 H new ATOM 551 N GLN A 41 -0.287 -7.607 -7.434 1.00 0.00 N ATOM 552 CA GLN A 41 -0.470 -8.649 -6.395 1.00 0.00 C ATOM 553 C GLN A 41 0.412 -8.357 -5.159 1.00 0.00 C ATOM 554 O GLN A 41 0.174 -8.912 -4.088 1.00 0.00 O ATOM 555 CB GLN A 41 -0.143 -10.073 -6.931 1.00 0.00 C ATOM 556 CG GLN A 41 -1.024 -10.592 -8.091 1.00 0.00 C ATOM 557 CD GLN A 41 -0.734 -9.940 -9.450 1.00 0.00 C ATOM 558 OE1 GLN A 41 -1.454 -8.870 -9.775 1.00 0.00 O flip ATOM 559 NE2 GLN A 41 0.130 -10.397 -10.195 1.00 0.00 N flip ATOM 0 H GLN A 41 0.255 -7.922 -8.239 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.521 -8.622 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.896 -10.083 -7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.221 -10.776 -6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.886 -11.669 -8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.071 -10.425 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.663 -11.220 -9.913 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.314 -9.954 -11.095 1.00 0.00 H new ATOM 568 N GLY A 42 1.438 -7.495 -5.334 1.00 0.00 N ATOM 569 CA GLY A 42 2.313 -7.078 -4.231 1.00 0.00 C ATOM 570 C GLY A 42 1.660 -6.041 -3.311 1.00 0.00 C ATOM 571 O GLY A 42 2.147 -5.790 -2.203 1.00 0.00 O ATOM 0 H GLY A 42 1.676 -7.077 -6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.591 -7.953 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.234 -6.664 -4.641 1.00 0.00 H new ATOM 575 N ILE A 43 0.565 -5.425 -3.795 1.00 0.00 N ATOM 576 CA ILE A 43 -0.218 -4.433 -3.042 1.00 0.00 C ATOM 577 C ILE A 43 -1.216 -5.159 -2.124 1.00 0.00 C ATOM 578 O ILE A 43 -1.808 -6.173 -2.513 1.00 0.00 O ATOM 579 CB ILE A 43 -0.969 -3.475 -4.032 1.00 0.00 C ATOM 580 CG1 ILE A 43 0.060 -2.832 -5.016 1.00 0.00 C ATOM 581 CG2 ILE A 43 -1.792 -2.388 -3.282 1.00 0.00 C ATOM 582 CD1 ILE A 43 -0.537 -2.006 -6.126 1.00 0.00 C ATOM 0 H ILE A 43 0.197 -5.605 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 43 0.451 -3.830 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.687 -4.065 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.741 -2.202 -4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.659 -3.627 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.295 -1.748 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.535 -2.869 -2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.124 -1.785 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.261 -1.606 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.194 -2.631 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.111 -1.183 -5.699 1.00 0.00 H new ATOM 594 N ARG A 44 -1.396 -4.618 -0.915 1.00 0.00 N ATOM 595 CA ARG A 44 -2.164 -5.277 0.150 1.00 0.00 C ATOM 596 C ARG A 44 -3.128 -4.279 0.808 1.00 0.00 C ATOM 597 O ARG A 44 -2.743 -3.564 1.721 1.00 0.00 O ATOM 598 CB ARG A 44 -1.167 -5.860 1.206 1.00 0.00 C ATOM 599 CG ARG A 44 -1.683 -7.092 1.968 1.00 0.00 C ATOM 600 CD ARG A 44 -1.783 -8.330 1.052 1.00 0.00 C ATOM 601 NE ARG A 44 -0.473 -8.650 0.433 1.00 0.00 N ATOM 602 CZ ARG A 44 -0.269 -8.945 -0.857 1.00 0.00 C ATOM 603 NH1 ARG A 44 -1.269 -8.960 -1.714 1.00 0.00 N ATOM 604 NH2 ARG A 44 0.949 -9.212 -1.284 1.00 0.00 N ATOM 0 H ARG A 44 -1.014 -3.711 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.758 -6.087 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.238 -6.125 0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.926 -5.079 1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.016 -7.310 2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.663 -6.873 2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.133 -9.185 1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.522 -8.149 0.271 1.00 0.00 H new ATOM 0 HE ARG A 44 0.344 -8.645 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.215 -8.745 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.098 -9.187 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.733 -9.194 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.107 -9.437 -2.266 1.00 0.00 H new ATOM 618 N PHE A 45 -4.386 -4.249 0.354 1.00 0.00 N ATOM 619 CA PHE A 45 -5.415 -3.339 0.899 1.00 0.00 C ATOM 620 C PHE A 45 -5.868 -3.820 2.281 1.00 0.00 C ATOM 621 O PHE A 45 -6.198 -5.001 2.449 1.00 0.00 O ATOM 622 CB PHE A 45 -6.631 -3.237 -0.054 1.00 0.00 C ATOM 623 CG PHE A 45 -6.269 -2.686 -1.430 1.00 0.00 C ATOM 624 CD1 PHE A 45 -6.112 -1.313 -1.631 1.00 0.00 C ATOM 625 CD2 PHE A 45 -6.069 -3.535 -2.515 1.00 0.00 C ATOM 626 CE1 PHE A 45 -5.770 -0.813 -2.870 1.00 0.00 C ATOM 627 CE2 PHE A 45 -5.729 -3.031 -3.755 1.00 0.00 C ATOM 628 CZ PHE A 45 -5.580 -1.671 -3.932 1.00 0.00 C ATOM 0 H PHE A 45 -4.724 -4.850 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.973 -2.347 0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.077 -4.225 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.388 -2.597 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.260 -0.633 -0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.181 -4.601 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.651 0.251 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.580 -3.703 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.315 -1.279 -4.903 1.00 0.00 H new ATOM 638 N ILE A 46 -5.845 -2.914 3.270 1.00 0.00 N ATOM 639 CA ILE A 46 -6.381 -3.179 4.600 1.00 0.00 C ATOM 640 C ILE A 46 -7.876 -2.879 4.564 1.00 0.00 C ATOM 641 O ILE A 46 -8.271 -1.746 4.274 1.00 0.00 O ATOM 642 CB ILE A 46 -5.682 -2.292 5.697 1.00 0.00 C ATOM 643 CG1 ILE A 46 -4.141 -2.554 5.706 1.00 0.00 C ATOM 644 CG2 ILE A 46 -6.321 -2.513 7.096 1.00 0.00 C ATOM 645 CD1 ILE A 46 -3.736 -4.009 5.889 1.00 0.00 C ATOM 0 H ILE A 46 -5.453 -1.979 3.163 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.195 -4.220 4.864 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.839 -1.243 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.721 -2.191 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.692 -1.965 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.815 -1.886 7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.378 -2.248 7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.219 -3.560 7.381 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.649 -4.088 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.120 -4.377 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.149 -4.607 5.076 1.00 0.00 H new ATOM 657 N TYR A 47 -8.687 -3.899 4.827 1.00 0.00 N ATOM 658 CA TYR A 47 -10.144 -3.802 4.778 1.00 0.00 C ATOM 659 C TYR A 47 -10.692 -3.394 6.141 1.00 0.00 C ATOM 660 O TYR A 47 -9.953 -3.276 7.125 1.00 0.00 O ATOM 661 CB TYR A 47 -10.754 -5.160 4.336 1.00 0.00 C ATOM 662 CG TYR A 47 -10.268 -5.624 2.963 1.00 0.00 C ATOM 663 CD1 TYR A 47 -10.906 -5.212 1.793 1.00 0.00 C ATOM 664 CD2 TYR A 47 -9.164 -6.468 2.838 1.00 0.00 C ATOM 665 CE1 TYR A 47 -10.458 -5.622 0.553 1.00 0.00 C ATOM 666 CE2 TYR A 47 -8.714 -6.877 1.601 1.00 0.00 C ATOM 667 CZ TYR A 47 -9.364 -6.453 0.461 1.00 0.00 C ATOM 668 OH TYR A 47 -8.915 -6.861 -0.775 1.00 0.00 O ATOM 0 H TYR A 47 -8.349 -4.827 5.083 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.421 -3.040 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.506 -5.920 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.840 -5.074 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.765 -4.561 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.653 -6.807 3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.964 -5.292 -0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.855 -7.527 1.525 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.134 -7.443 -0.664 1.00 0.00 H new ATOM 678 N THR A 48 -11.990 -3.119 6.158 1.00 0.00 N ATOM 679 CA THR A 48 -12.779 -3.004 7.380 1.00 0.00 C ATOM 680 C THR A 48 -13.570 -4.299 7.575 1.00 0.00 C ATOM 681 O THR A 48 -13.596 -5.171 6.692 1.00 0.00 O ATOM 682 CB THR A 48 -13.752 -1.786 7.301 1.00 0.00 C ATOM 683 OG1 THR A 48 -14.661 -1.941 6.192 1.00 0.00 O ATOM 684 CG2 THR A 48 -12.977 -0.470 7.152 1.00 0.00 C ATOM 0 H THR A 48 -12.534 -2.967 5.309 1.00 0.00 H new ATOM 0 HA THR A 48 -12.112 -2.843 8.227 1.00 0.00 H new ATOM 0 HB THR A 48 -14.320 -1.752 8.231 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.173 -1.825 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.679 0.362 7.099 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.319 -0.336 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.381 -0.500 6.240 1.00 0.00 H new ATOM 692 N ARG A 49 -14.234 -4.407 8.729 1.00 0.00 N ATOM 693 CA ARG A 49 -15.133 -5.530 9.038 1.00 0.00 C ATOM 694 C ARG A 49 -16.409 -5.491 8.152 1.00 0.00 C ATOM 695 O ARG A 49 -17.168 -6.462 8.103 1.00 0.00 O ATOM 696 CB ARG A 49 -15.473 -5.500 10.549 1.00 0.00 C ATOM 697 CG ARG A 49 -14.241 -5.735 11.472 1.00 0.00 C ATOM 698 CD ARG A 49 -14.509 -5.418 12.959 1.00 0.00 C ATOM 699 NE ARG A 49 -14.776 -3.981 13.178 1.00 0.00 N ATOM 700 CZ ARG A 49 -15.213 -3.435 14.322 1.00 0.00 C ATOM 701 NH1 ARG A 49 -15.484 -4.187 15.371 1.00 0.00 N ATOM 702 NH2 ARG A 49 -15.384 -2.129 14.403 1.00 0.00 N ATOM 0 H ARG A 49 -14.165 -3.719 9.479 1.00 0.00 H new ATOM 0 HA ARG A 49 -14.632 -6.471 8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.920 -4.536 10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.224 -6.262 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.924 -6.774 11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.413 -5.118 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.361 -6.002 13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.649 -5.722 13.556 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.614 -3.351 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.362 -5.198 15.319 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.816 -3.757 16.235 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.184 -1.537 13.597 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.716 -1.711 15.272 1.00 0.00 H new ATOM 716 N GLU A 50 -16.617 -4.362 7.437 1.00 0.00 N ATOM 717 CA GLU A 50 -17.732 -4.186 6.484 1.00 0.00 C ATOM 718 C GLU A 50 -17.378 -4.749 5.081 1.00 0.00 C ATOM 719 O GLU A 50 -18.219 -4.736 4.177 1.00 0.00 O ATOM 720 CB GLU A 50 -18.108 -2.677 6.368 1.00 0.00 C ATOM 721 CG GLU A 50 -18.605 -1.989 7.669 1.00 0.00 C ATOM 722 CD GLU A 50 -17.501 -1.658 8.705 1.00 0.00 C ATOM 723 OE1 GLU A 50 -16.810 -0.625 8.547 1.00 0.00 O ATOM 724 OE2 GLU A 50 -17.337 -2.411 9.696 1.00 0.00 O ATOM 0 H GLU A 50 -16.012 -3.544 7.507 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.586 -4.745 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.235 -2.134 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.884 -2.575 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -19.116 -1.065 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -19.344 -2.635 8.143 1.00 0.00 H new ATOM 731 N GLY A 51 -16.136 -5.247 4.918 1.00 0.00 N ATOM 732 CA GLY A 51 -15.661 -5.796 3.637 1.00 0.00 C ATOM 733 C GLY A 51 -15.330 -4.725 2.591 1.00 0.00 C ATOM 734 O GLY A 51 -15.616 -4.893 1.399 1.00 0.00 O ATOM 0 H GLY A 51 -15.441 -5.279 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.772 -6.401 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.423 -6.462 3.233 1.00 0.00 H new ATOM 738 N ARG A 52 -14.761 -3.606 3.065 1.00 0.00 N ATOM 739 CA ARG A 52 -14.307 -2.493 2.192 1.00 0.00 C ATOM 740 C ARG A 52 -13.038 -1.819 2.760 1.00 0.00 C ATOM 741 O ARG A 52 -12.986 -1.563 3.960 1.00 0.00 O ATOM 742 CB ARG A 52 -15.457 -1.461 1.982 1.00 0.00 C ATOM 743 CG ARG A 52 -16.226 -1.065 3.262 1.00 0.00 C ATOM 744 CD ARG A 52 -17.339 -0.038 2.989 1.00 0.00 C ATOM 745 NE ARG A 52 -18.151 0.227 4.193 1.00 0.00 N ATOM 746 CZ ARG A 52 -17.924 1.200 5.095 1.00 0.00 C ATOM 747 NH1 ARG A 52 -16.873 2.014 4.997 1.00 0.00 N ATOM 748 NH2 ARG A 52 -18.775 1.353 6.097 1.00 0.00 N ATOM 0 H ARG A 52 -14.600 -3.440 4.058 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.044 -2.907 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -15.038 -0.559 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.166 -1.872 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -16.662 -1.958 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.526 -0.653 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.895 0.894 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.983 -0.405 2.190 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.954 -0.380 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.216 1.908 4.224 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.726 2.743 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.586 0.739 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.620 2.085 6.791 1.00 0.00 H new ATOM 762 N PRO A 53 -11.992 -1.530 1.899 1.00 0.00 N ATOM 763 CA PRO A 53 -10.728 -0.873 2.330 1.00 0.00 C ATOM 764 C PRO A 53 -10.946 0.400 3.180 1.00 0.00 C ATOM 765 O PRO A 53 -11.746 1.267 2.812 1.00 0.00 O ATOM 766 CB PRO A 53 -10.013 -0.541 0.997 1.00 0.00 C ATOM 767 CG PRO A 53 -10.496 -1.593 0.052 1.00 0.00 C ATOM 768 CD PRO A 53 -11.941 -1.854 0.441 1.00 0.00 C ATOM 0 HA PRO A 53 -10.151 -1.524 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.269 0.458 0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.929 -0.572 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.423 -1.256 -0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.897 -2.500 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.627 -1.228 -0.130 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.223 -2.890 0.253 1.00 0.00 H new ATOM 776 N SER A 54 -10.194 0.499 4.287 1.00 0.00 N ATOM 777 CA SER A 54 -10.317 1.586 5.279 1.00 0.00 C ATOM 778 C SER A 54 -9.868 2.938 4.690 1.00 0.00 C ATOM 779 O SER A 54 -10.341 4.004 5.104 1.00 0.00 O ATOM 780 CB SER A 54 -9.458 1.223 6.514 1.00 0.00 C ATOM 781 OG SER A 54 -8.107 0.967 6.148 1.00 0.00 O ATOM 0 H SER A 54 -9.472 -0.182 4.524 1.00 0.00 H new ATOM 0 HA SER A 54 -11.363 1.691 5.567 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.493 2.039 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.877 0.344 7.005 1.00 0.00 H new ATOM 0 HG SER A 54 -7.588 0.742 6.948 1.00 0.00 H new ATOM 787 N GLY A 55 -8.983 2.851 3.690 1.00 0.00 N ATOM 788 CA GLY A 55 -8.273 3.996 3.127 1.00 0.00 C ATOM 789 C GLY A 55 -6.776 3.764 3.173 1.00 0.00 C ATOM 790 O GLY A 55 -6.004 4.446 2.487 1.00 0.00 O ATOM 0 H GLY A 55 -8.739 1.966 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.591 4.158 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.525 4.898 3.684 1.00 0.00 H new ATOM 794 N GLU A 56 -6.364 2.785 3.999 1.00 0.00 N ATOM 795 CA GLU A 56 -4.962 2.384 4.160 1.00 0.00 C ATOM 796 C GLU A 56 -4.698 1.045 3.451 1.00 0.00 C ATOM 797 O GLU A 56 -5.604 0.218 3.275 1.00 0.00 O ATOM 798 CB GLU A 56 -4.596 2.260 5.658 1.00 0.00 C ATOM 799 CG GLU A 56 -4.847 3.526 6.506 1.00 0.00 C ATOM 800 CD GLU A 56 -4.230 3.423 7.914 1.00 0.00 C ATOM 801 OE1 GLU A 56 -4.599 2.504 8.668 1.00 0.00 O ATOM 802 OE2 GLU A 56 -3.303 4.196 8.238 1.00 0.00 O ATOM 0 H GLU A 56 -7.007 2.246 4.579 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.339 3.155 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.166 1.436 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.542 1.993 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.430 4.392 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.920 3.694 6.594 1.00 0.00 H new ATOM 809 N ALA A 57 -3.440 0.867 3.049 1.00 0.00 N ATOM 810 CA ALA A 57 -2.917 -0.374 2.468 1.00 0.00 C ATOM 811 C ALA A 57 -1.410 -0.441 2.713 1.00 0.00 C ATOM 812 O ALA A 57 -0.821 0.517 3.167 1.00 0.00 O ATOM 813 CB ALA A 57 -3.206 -0.437 0.962 1.00 0.00 C ATOM 0 H ALA A 57 -2.735 1.601 3.119 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.409 -1.223 2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.809 -1.366 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.283 -0.399 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.732 0.409 0.465 1.00 0.00 H new ATOM 819 N PHE A 58 -0.805 -1.599 2.458 1.00 0.00 N ATOM 820 CA PHE A 58 0.653 -1.766 2.427 1.00 0.00 C ATOM 821 C PHE A 58 1.089 -2.238 1.035 1.00 0.00 C ATOM 822 O PHE A 58 0.596 -3.250 0.539 1.00 0.00 O ATOM 823 CB PHE A 58 1.098 -2.799 3.487 1.00 0.00 C ATOM 824 CG PHE A 58 0.865 -2.383 4.938 1.00 0.00 C ATOM 825 CD1 PHE A 58 -0.387 -2.509 5.529 1.00 0.00 C ATOM 826 CD2 PHE A 58 1.903 -1.881 5.715 1.00 0.00 C ATOM 827 CE1 PHE A 58 -0.589 -2.148 6.843 1.00 0.00 C ATOM 828 CE2 PHE A 58 1.697 -1.521 7.030 1.00 0.00 C ATOM 829 CZ PHE A 58 0.454 -1.655 7.595 1.00 0.00 C ATOM 0 H PHE A 58 -1.316 -2.460 2.264 1.00 0.00 H new ATOM 0 HA PHE A 58 1.121 -0.807 2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.569 -3.734 3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.160 -3.002 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.213 -2.895 4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.886 -1.771 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.569 -2.252 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.516 -1.133 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.294 -1.375 8.626 1.00 0.00 H new ATOM 839 N VAL A 59 2.002 -1.501 0.403 1.00 0.00 N ATOM 840 CA VAL A 59 2.600 -1.883 -0.883 1.00 0.00 C ATOM 841 C VAL A 59 3.998 -2.453 -0.618 1.00 0.00 C ATOM 842 O VAL A 59 4.899 -1.725 -0.187 1.00 0.00 O ATOM 843 CB VAL A 59 2.643 -0.646 -1.859 1.00 0.00 C ATOM 844 CG1 VAL A 59 3.482 -0.922 -3.128 1.00 0.00 C ATOM 845 CG2 VAL A 59 1.203 -0.208 -2.239 1.00 0.00 C ATOM 0 H VAL A 59 2.352 -0.615 0.769 1.00 0.00 H new ATOM 0 HA VAL A 59 1.995 -2.648 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 59 3.135 0.167 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.479 -0.038 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.507 -1.159 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.053 -1.763 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.249 0.647 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.690 -1.033 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.657 0.070 -1.337 1.00 0.00 H new ATOM 855 N GLU A 60 4.163 -3.763 -0.850 1.00 0.00 N ATOM 856 CA GLU A 60 5.431 -4.464 -0.621 1.00 0.00 C ATOM 857 C GLU A 60 6.352 -4.211 -1.823 1.00 0.00 C ATOM 858 O GLU A 60 5.898 -4.274 -2.957 1.00 0.00 O ATOM 859 CB GLU A 60 5.168 -5.983 -0.403 1.00 0.00 C ATOM 860 CG GLU A 60 4.198 -6.286 0.758 1.00 0.00 C ATOM 861 CD GLU A 60 4.013 -7.791 1.026 1.00 0.00 C ATOM 862 OE1 GLU A 60 4.865 -8.389 1.726 1.00 0.00 O ATOM 863 OE2 GLU A 60 3.031 -8.390 0.531 1.00 0.00 O ATOM 0 H GLU A 60 3.419 -4.366 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 60 5.919 -4.089 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.764 -6.408 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.117 -6.483 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.567 -5.806 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.227 -5.843 0.535 1.00 0.00 H new ATOM 870 N LEU A 61 7.632 -3.917 -1.563 1.00 0.00 N ATOM 871 CA LEU A 61 8.596 -3.464 -2.598 1.00 0.00 C ATOM 872 C LEU A 61 9.850 -4.350 -2.565 1.00 0.00 C ATOM 873 O LEU A 61 10.282 -4.777 -1.490 1.00 0.00 O ATOM 874 CB LEU A 61 8.937 -1.966 -2.358 1.00 0.00 C ATOM 875 CG LEU A 61 7.719 -0.979 -2.455 1.00 0.00 C ATOM 876 CD1 LEU A 61 8.068 0.423 -1.945 1.00 0.00 C ATOM 877 CD2 LEU A 61 7.172 -0.906 -3.898 1.00 0.00 C ATOM 0 H LEU A 61 8.038 -3.984 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 61 8.156 -3.557 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.387 -1.866 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.690 -1.661 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 61 6.939 -1.380 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.195 1.070 -2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.374 0.365 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.884 0.834 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.330 -0.215 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.957 -0.555 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.842 -1.896 -4.213 1.00 0.00 H new ATOM 889 N GLU A 62 10.433 -4.614 -3.752 1.00 0.00 N ATOM 890 CA GLU A 62 11.512 -5.618 -3.925 1.00 0.00 C ATOM 891 C GLU A 62 12.835 -5.224 -3.198 1.00 0.00 C ATOM 892 O GLU A 62 13.670 -6.098 -2.918 1.00 0.00 O ATOM 893 CB GLU A 62 11.739 -5.893 -5.436 1.00 0.00 C ATOM 894 CG GLU A 62 12.716 -7.058 -5.734 1.00 0.00 C ATOM 895 CD GLU A 62 12.762 -7.480 -7.209 1.00 0.00 C ATOM 896 OE1 GLU A 62 13.180 -6.667 -8.058 1.00 0.00 O ATOM 897 OE2 GLU A 62 12.391 -8.629 -7.534 1.00 0.00 O ATOM 0 H GLU A 62 10.173 -4.141 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 62 11.184 -6.540 -3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.778 -6.113 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.120 -4.986 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.718 -6.766 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.431 -7.920 -5.130 1.00 0.00 H new ATOM 904 N SER A 63 12.975 -3.933 -2.841 1.00 0.00 N ATOM 905 CA SER A 63 14.110 -3.441 -2.035 1.00 0.00 C ATOM 906 C SER A 63 13.837 -2.020 -1.510 1.00 0.00 C ATOM 907 O SER A 63 12.864 -1.364 -1.913 1.00 0.00 O ATOM 908 CB SER A 63 15.450 -3.503 -2.816 1.00 0.00 C ATOM 909 OG SER A 63 15.431 -2.718 -3.991 1.00 0.00 O ATOM 0 H SER A 63 12.309 -3.205 -3.101 1.00 0.00 H new ATOM 0 HA SER A 63 14.210 -4.107 -1.178 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.259 -3.163 -2.170 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.666 -4.539 -3.079 1.00 0.00 H new ATOM 0 HG SER A 63 16.296 -2.789 -4.446 1.00 0.00 H new ATOM 915 N GLU A 64 14.722 -1.567 -0.601 1.00 0.00 N ATOM 916 CA GLU A 64 14.577 -0.307 0.146 1.00 0.00 C ATOM 917 C GLU A 64 14.696 0.946 -0.741 1.00 0.00 C ATOM 918 O GLU A 64 14.227 2.025 -0.356 1.00 0.00 O ATOM 919 CB GLU A 64 15.636 -0.274 1.268 1.00 0.00 C ATOM 920 CG GLU A 64 15.503 0.903 2.242 1.00 0.00 C ATOM 921 CD GLU A 64 16.537 0.851 3.365 1.00 0.00 C ATOM 922 OE1 GLU A 64 16.294 0.152 4.366 1.00 0.00 O ATOM 923 OE2 GLU A 64 17.601 1.503 3.258 1.00 0.00 O ATOM 0 H GLU A 64 15.572 -2.077 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 64 13.570 -0.283 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.575 -1.204 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.626 -0.241 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.613 1.839 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.502 0.902 2.673 1.00 0.00 H new ATOM 930 N ASP A 65 15.322 0.810 -1.914 1.00 0.00 N ATOM 931 CA ASP A 65 15.456 1.925 -2.865 1.00 0.00 C ATOM 932 C ASP A 65 14.058 2.383 -3.321 1.00 0.00 C ATOM 933 O ASP A 65 13.747 3.574 -3.290 1.00 0.00 O ATOM 934 CB ASP A 65 16.323 1.508 -4.072 1.00 0.00 C ATOM 935 CG ASP A 65 16.603 2.661 -5.059 1.00 0.00 C ATOM 936 OD1 ASP A 65 15.807 2.864 -6.000 1.00 0.00 O ATOM 937 OD2 ASP A 65 17.633 3.363 -4.907 1.00 0.00 O ATOM 0 H ASP A 65 15.746 -0.062 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 65 15.955 2.759 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.272 1.114 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 65 15.824 0.698 -4.604 1.00 0.00 H new ATOM 942 N GLU A 66 13.232 1.404 -3.724 1.00 0.00 N ATOM 943 CA GLU A 66 11.815 1.617 -4.073 1.00 0.00 C ATOM 944 C GLU A 66 11.005 2.194 -2.909 1.00 0.00 C ATOM 945 O GLU A 66 10.045 2.935 -3.141 1.00 0.00 O ATOM 946 CB GLU A 66 11.147 0.312 -4.553 1.00 0.00 C ATOM 947 CG GLU A 66 11.753 -0.302 -5.828 1.00 0.00 C ATOM 948 CD GLU A 66 12.934 -1.258 -5.599 1.00 0.00 C ATOM 949 OE1 GLU A 66 14.083 -0.788 -5.503 1.00 0.00 O ATOM 950 OE2 GLU A 66 12.718 -2.486 -5.527 1.00 0.00 O ATOM 0 H GLU A 66 13.530 0.433 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 66 11.817 2.344 -4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.205 -0.424 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.089 0.507 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.969 -0.841 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.083 0.507 -6.480 1.00 0.00 H new ATOM 957 N VAL A 67 11.368 1.815 -1.666 1.00 0.00 N ATOM 958 CA VAL A 67 10.738 2.374 -0.455 1.00 0.00 C ATOM 959 C VAL A 67 10.949 3.897 -0.410 1.00 0.00 C ATOM 960 O VAL A 67 10.003 4.646 -0.230 1.00 0.00 O ATOM 961 CB VAL A 67 11.279 1.695 0.856 1.00 0.00 C ATOM 962 CG1 VAL A 67 10.801 2.426 2.132 1.00 0.00 C ATOM 963 CG2 VAL A 67 10.896 0.200 0.893 1.00 0.00 C ATOM 0 H VAL A 67 12.094 1.124 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 67 9.670 2.163 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 67 12.366 1.772 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.200 1.921 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.154 3.457 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.712 2.416 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.280 -0.251 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.811 0.102 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.327 -0.307 0.030 1.00 0.00 H new ATOM 973 N LYS A 68 12.201 4.312 -0.624 1.00 0.00 N ATOM 974 CA LYS A 68 12.602 5.732 -0.676 1.00 0.00 C ATOM 975 C LYS A 68 11.907 6.492 -1.839 1.00 0.00 C ATOM 976 O LYS A 68 11.532 7.660 -1.680 1.00 0.00 O ATOM 977 CB LYS A 68 14.150 5.817 -0.757 1.00 0.00 C ATOM 978 CG LYS A 68 14.855 5.154 0.453 1.00 0.00 C ATOM 979 CD LYS A 68 16.396 5.234 0.392 1.00 0.00 C ATOM 980 CE LYS A 68 17.063 4.604 1.632 1.00 0.00 C ATOM 981 NZ LYS A 68 18.549 4.645 1.563 1.00 0.00 N ATOM 0 H LYS A 68 12.979 3.668 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 68 12.271 6.229 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.488 5.337 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.449 6.864 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.511 5.632 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.556 4.107 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.749 4.726 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.701 6.277 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.729 5.130 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.736 3.569 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.948 4.210 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.872 4.121 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.866 5.633 1.497 1.00 0.00 H new ATOM 995 N LEU A 69 11.721 5.816 -2.988 1.00 0.00 N ATOM 996 CA LEU A 69 10.951 6.357 -4.142 1.00 0.00 C ATOM 997 C LEU A 69 9.460 6.595 -3.774 1.00 0.00 C ATOM 998 O LEU A 69 8.856 7.605 -4.157 1.00 0.00 O ATOM 999 CB LEU A 69 11.076 5.395 -5.358 1.00 0.00 C ATOM 1000 CG LEU A 69 12.532 5.144 -5.880 1.00 0.00 C ATOM 1001 CD1 LEU A 69 12.560 4.096 -7.009 1.00 0.00 C ATOM 1002 CD2 LEU A 69 13.207 6.460 -6.317 1.00 0.00 C ATOM 0 H LEU A 69 12.096 4.881 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 69 11.374 7.325 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 10.637 4.435 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.480 5.796 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 69 13.108 4.738 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.587 3.950 -7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.161 3.152 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.952 4.444 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.215 6.251 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.627 6.918 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.257 7.143 -5.469 1.00 0.00 H new ATOM 1014 N ALA A 70 8.901 5.636 -3.034 1.00 0.00 N ATOM 1015 CA ALA A 70 7.529 5.718 -2.494 1.00 0.00 C ATOM 1016 C ALA A 70 7.398 6.884 -1.480 1.00 0.00 C ATOM 1017 O ALA A 70 6.437 7.656 -1.523 1.00 0.00 O ATOM 1018 CB ALA A 70 7.135 4.375 -1.859 1.00 0.00 C ATOM 0 H ALA A 70 9.385 4.773 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 70 6.841 5.925 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.122 4.443 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.178 3.589 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.826 4.139 -1.050 1.00 0.00 H new ATOM 1024 N LEU A 71 8.403 7.009 -0.590 1.00 0.00 N ATOM 1025 CA LEU A 71 8.459 8.060 0.456 1.00 0.00 C ATOM 1026 C LEU A 71 8.565 9.486 -0.134 1.00 0.00 C ATOM 1027 O LEU A 71 8.027 10.427 0.442 1.00 0.00 O ATOM 1028 CB LEU A 71 9.639 7.792 1.432 1.00 0.00 C ATOM 1029 CG LEU A 71 9.565 6.470 2.268 1.00 0.00 C ATOM 1030 CD1 LEU A 71 10.829 6.283 3.138 1.00 0.00 C ATOM 1031 CD2 LEU A 71 8.278 6.405 3.117 1.00 0.00 C ATOM 0 H LEU A 71 9.206 6.381 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 71 7.517 8.011 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.564 7.780 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.707 8.631 2.125 1.00 0.00 H new ATOM 0 HG LEU A 71 9.527 5.640 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.746 5.356 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.709 6.238 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.924 7.123 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.262 5.474 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.254 7.249 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.408 6.446 2.462 1.00 0.00 H new ATOM 1043 N LYS A 72 9.247 9.651 -1.284 1.00 0.00 N ATOM 1044 CA LYS A 72 9.337 10.983 -1.946 1.00 0.00 C ATOM 1045 C LYS A 72 8.067 11.247 -2.783 1.00 0.00 C ATOM 1046 O LYS A 72 7.787 12.390 -3.145 1.00 0.00 O ATOM 1047 CB LYS A 72 10.670 11.167 -2.756 1.00 0.00 C ATOM 1048 CG LYS A 72 10.981 10.151 -3.883 1.00 0.00 C ATOM 1049 CD LYS A 72 10.237 10.425 -5.215 1.00 0.00 C ATOM 1050 CE LYS A 72 10.641 9.441 -6.320 1.00 0.00 C ATOM 1051 NZ LYS A 72 9.902 9.679 -7.576 1.00 0.00 N ATOM 0 H LYS A 72 9.737 8.901 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 72 9.380 11.748 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.657 12.163 -3.198 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.498 11.143 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.054 10.155 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.722 9.151 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.162 10.359 -5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.447 11.443 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.711 9.528 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.459 8.421 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.065 8.887 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.885 9.756 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.235 10.562 -8.013 1.00 0.00 H new ATOM 1065 N LYS A 73 7.293 10.171 -3.060 1.00 0.00 N ATOM 1066 CA LYS A 73 5.964 10.254 -3.709 1.00 0.00 C ATOM 1067 C LYS A 73 4.857 10.562 -2.670 1.00 0.00 C ATOM 1068 O LYS A 73 3.706 10.871 -3.032 1.00 0.00 O ATOM 1069 CB LYS A 73 5.695 8.940 -4.501 1.00 0.00 C ATOM 1070 CG LYS A 73 4.319 8.869 -5.212 1.00 0.00 C ATOM 1071 CD LYS A 73 4.272 7.878 -6.397 1.00 0.00 C ATOM 1072 CE LYS A 73 5.209 8.293 -7.546 1.00 0.00 C ATOM 1073 NZ LYS A 73 4.920 7.569 -8.798 1.00 0.00 N ATOM 0 H LYS A 73 7.575 9.216 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 73 5.952 11.082 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.479 8.818 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.775 8.097 -3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.560 8.584 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.057 9.863 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.549 6.884 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.250 7.811 -6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.114 9.365 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.242 8.108 -7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.416 8.029 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.244 6.584 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.896 7.582 -8.978 1.00 0.00 H new ATOM 1087 N ASP A 74 5.229 10.506 -1.373 1.00 0.00 N ATOM 1088 CA ASP A 74 4.356 10.952 -0.269 1.00 0.00 C ATOM 1089 C ASP A 74 4.060 12.467 -0.425 1.00 0.00 C ATOM 1090 O ASP A 74 4.924 13.293 -0.101 1.00 0.00 O ATOM 1091 CB ASP A 74 5.015 10.631 1.105 1.00 0.00 C ATOM 1092 CG ASP A 74 4.403 11.411 2.287 1.00 0.00 C ATOM 1093 OD1 ASP A 74 3.259 11.124 2.686 1.00 0.00 O ATOM 1094 OD2 ASP A 74 5.064 12.335 2.805 1.00 0.00 O ATOM 0 H ASP A 74 6.135 10.153 -1.065 1.00 0.00 H new ATOM 0 HA ASP A 74 3.409 10.414 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.923 9.563 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.080 10.854 1.047 1.00 0.00 H new ATOM 1099 N ARG A 75 2.852 12.756 -0.972 1.00 0.00 N ATOM 1100 CA ARG A 75 2.310 14.107 -1.314 1.00 0.00 C ATOM 1101 C ARG A 75 1.366 13.968 -2.526 1.00 0.00 C ATOM 1102 O ARG A 75 0.241 14.474 -2.519 1.00 0.00 O ATOM 1103 CB ARG A 75 3.397 15.166 -1.681 1.00 0.00 C ATOM 1104 CG ARG A 75 2.863 16.601 -1.949 1.00 0.00 C ATOM 1105 CD ARG A 75 3.970 17.558 -2.415 1.00 0.00 C ATOM 1106 NE ARG A 75 4.554 17.130 -3.703 1.00 0.00 N ATOM 1107 CZ ARG A 75 5.705 17.566 -4.230 1.00 0.00 C ATOM 1108 NH1 ARG A 75 6.489 18.404 -3.570 1.00 0.00 N ATOM 1109 NH2 ARG A 75 6.076 17.138 -5.420 1.00 0.00 N ATOM 0 H ARG A 75 2.189 12.015 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 75 1.804 14.464 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.124 15.212 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.930 14.823 -2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.080 16.559 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.407 16.992 -1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.563 18.564 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.753 17.605 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 75 4.032 16.438 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.220 18.730 -2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.362 18.724 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.488 16.480 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.951 17.465 -5.829 1.00 0.00 H new ATOM 1123 N GLU A 76 1.882 13.275 -3.565 1.00 0.00 N ATOM 1124 CA GLU A 76 1.281 13.197 -4.919 1.00 0.00 C ATOM 1125 C GLU A 76 -0.181 12.696 -4.918 1.00 0.00 C ATOM 1126 O GLU A 76 -0.553 11.833 -4.120 1.00 0.00 O ATOM 1127 CB GLU A 76 2.155 12.284 -5.816 1.00 0.00 C ATOM 1128 CG GLU A 76 3.618 12.740 -5.970 1.00 0.00 C ATOM 1129 CD GLU A 76 3.759 14.133 -6.602 1.00 0.00 C ATOM 1130 OE1 GLU A 76 3.555 14.265 -7.830 1.00 0.00 O ATOM 1131 OE2 GLU A 76 4.039 15.109 -5.878 1.00 0.00 O ATOM 0 H GLU A 76 2.748 12.741 -3.486 1.00 0.00 H new ATOM 0 HA GLU A 76 1.254 14.213 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.145 11.275 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.701 12.228 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.095 12.744 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.154 12.015 -6.582 1.00 0.00 H new ATOM 1138 N THR A 77 -0.975 13.228 -5.863 1.00 0.00 N ATOM 1139 CA THR A 77 -2.418 12.977 -5.953 1.00 0.00 C ATOM 1140 C THR A 77 -2.721 11.893 -6.995 1.00 0.00 C ATOM 1141 O THR A 77 -2.343 12.027 -8.167 1.00 0.00 O ATOM 1142 CB THR A 77 -3.206 14.292 -6.311 1.00 0.00 C ATOM 1143 OG1 THR A 77 -2.623 14.932 -7.453 1.00 0.00 O ATOM 1144 CG2 THR A 77 -3.225 15.284 -5.147 1.00 0.00 C ATOM 0 H THR A 77 -0.626 13.850 -6.592 1.00 0.00 H new ATOM 0 HA THR A 77 -2.748 12.630 -4.974 1.00 0.00 H new ATOM 0 HB THR A 77 -4.231 13.994 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.236 14.254 -8.046 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.779 16.176 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.706 14.823 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.203 15.560 -4.888 1.00 0.00 H new ATOM 1152 N MET A 78 -3.374 10.800 -6.550 1.00 0.00 N ATOM 1153 CA MET A 78 -4.018 9.843 -7.460 1.00 0.00 C ATOM 1154 C MET A 78 -5.430 10.369 -7.827 1.00 0.00 C ATOM 1155 O MET A 78 -6.452 9.940 -7.279 1.00 0.00 O ATOM 1156 CB MET A 78 -4.058 8.388 -6.883 1.00 0.00 C ATOM 1157 CG MET A 78 -4.744 8.181 -5.515 1.00 0.00 C ATOM 1158 SD MET A 78 -5.402 6.496 -5.311 1.00 0.00 S ATOM 1159 CE MET A 78 -4.108 5.482 -6.040 1.00 0.00 C ATOM 0 H MET A 78 -3.467 10.562 -5.563 1.00 0.00 H new ATOM 0 HA MET A 78 -3.417 9.769 -8.367 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.561 7.751 -7.611 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.032 8.030 -6.802 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.028 8.387 -4.719 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.556 8.900 -5.407 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.263 4.439 -5.762 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.140 5.577 -7.125 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.136 5.814 -5.675 1.00 0.00 H new ATOM 1169 N GLY A 79 -5.447 11.394 -8.697 1.00 0.00 N ATOM 1170 CA GLY A 79 -6.685 11.984 -9.208 1.00 0.00 C ATOM 1171 C GLY A 79 -7.295 12.973 -8.228 1.00 0.00 C ATOM 1172 O GLY A 79 -6.951 14.158 -8.233 1.00 0.00 O ATOM 0 H GLY A 79 -4.601 11.832 -9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.482 12.489 -10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.404 11.192 -9.418 1.00 0.00 H new ATOM 1176 N HIS A 80 -8.164 12.462 -7.343 1.00 0.00 N ATOM 1177 CA HIS A 80 -8.956 13.289 -6.404 1.00 0.00 C ATOM 1178 C HIS A 80 -8.300 13.367 -5.017 1.00 0.00 C ATOM 1179 O HIS A 80 -8.557 14.312 -4.262 1.00 0.00 O ATOM 1180 CB HIS A 80 -10.400 12.725 -6.276 1.00 0.00 C ATOM 1181 CG HIS A 80 -11.188 12.758 -7.561 1.00 0.00 C ATOM 1182 ND1 HIS A 80 -12.032 13.793 -7.899 1.00 0.00 N ATOM 1183 CD2 HIS A 80 -11.257 11.876 -8.586 1.00 0.00 C ATOM 1184 CE1 HIS A 80 -12.580 13.548 -9.072 1.00 0.00 C ATOM 1185 NE2 HIS A 80 -12.127 12.390 -9.514 1.00 0.00 N ATOM 0 H HIS A 80 -8.342 11.462 -7.254 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.995 14.299 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.347 11.696 -5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.936 13.296 -5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.725 10.939 -8.660 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.282 14.188 -9.586 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.381 11.950 -10.398 1.00 0.00 H new ATOM 1194 N ARG A 81 -7.458 12.376 -4.683 1.00 0.00 N ATOM 1195 CA ARG A 81 -6.867 12.241 -3.338 1.00 0.00 C ATOM 1196 C ARG A 81 -5.330 12.241 -3.388 1.00 0.00 C ATOM 1197 O ARG A 81 -4.736 11.600 -4.249 1.00 0.00 O ATOM 1198 CB ARG A 81 -7.389 10.947 -2.654 1.00 0.00 C ATOM 1199 CG ARG A 81 -6.769 10.646 -1.268 1.00 0.00 C ATOM 1200 CD ARG A 81 -7.029 11.732 -0.208 1.00 0.00 C ATOM 1201 NE ARG A 81 -6.183 11.546 0.990 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.431 12.039 2.208 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -7.543 12.716 2.456 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -5.564 11.846 3.178 1.00 0.00 N ATOM 0 H ARG A 81 -7.167 11.647 -5.334 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.174 13.106 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.471 11.023 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.195 10.101 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.165 9.698 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.693 10.519 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.836 12.714 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.079 11.712 0.082 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.334 10.992 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.224 12.867 1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.717 13.086 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.707 11.322 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.749 12.220 4.109 1.00 0.00 H new ATOM 1218 N TYR A 82 -4.722 12.942 -2.410 1.00 0.00 N ATOM 1219 CA TYR A 82 -3.262 12.977 -2.186 1.00 0.00 C ATOM 1220 C TYR A 82 -2.866 11.778 -1.308 1.00 0.00 C ATOM 1221 O TYR A 82 -3.614 11.393 -0.403 1.00 0.00 O ATOM 1222 CB TYR A 82 -2.823 14.332 -1.546 1.00 0.00 C ATOM 1223 CG TYR A 82 -3.570 14.738 -0.259 1.00 0.00 C ATOM 1224 CD1 TYR A 82 -4.840 15.307 -0.320 1.00 0.00 C ATOM 1225 CD2 TYR A 82 -3.015 14.542 1.010 1.00 0.00 C ATOM 1226 CE1 TYR A 82 -5.527 15.661 0.816 1.00 0.00 C ATOM 1227 CE2 TYR A 82 -3.705 14.892 2.155 1.00 0.00 C ATOM 1228 CZ TYR A 82 -4.958 15.451 2.055 1.00 0.00 C ATOM 1229 OH TYR A 82 -5.643 15.795 3.197 1.00 0.00 O ATOM 0 H TYR A 82 -5.241 13.510 -1.741 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.744 12.903 -3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -1.757 14.279 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.956 15.122 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.296 15.474 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.029 14.109 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.510 16.102 0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.262 14.727 3.126 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.099 15.579 3.983 1.00 0.00 H new ATOM 1239 N VAL A 83 -1.704 11.182 -1.583 1.00 0.00 N ATOM 1240 CA VAL A 83 -1.281 9.910 -0.982 1.00 0.00 C ATOM 1241 C VAL A 83 -0.219 10.128 0.118 1.00 0.00 C ATOM 1242 O VAL A 83 0.767 10.846 -0.075 1.00 0.00 O ATOM 1243 CB VAL A 83 -0.766 8.948 -2.112 1.00 0.00 C ATOM 1244 CG1 VAL A 83 0.016 7.743 -1.550 1.00 0.00 C ATOM 1245 CG2 VAL A 83 -1.949 8.476 -3.008 1.00 0.00 C ATOM 0 H VAL A 83 -1.022 11.570 -2.235 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.137 9.446 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.066 9.517 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.349 7.110 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.882 8.099 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.630 7.167 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.574 7.810 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.679 7.945 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.424 9.342 -3.470 1.00 0.00 H new ATOM 1255 N GLU A 84 -0.459 9.483 1.277 1.00 0.00 N ATOM 1256 CA GLU A 84 0.421 9.512 2.455 1.00 0.00 C ATOM 1257 C GLU A 84 1.171 8.167 2.548 1.00 0.00 C ATOM 1258 O GLU A 84 0.542 7.112 2.671 1.00 0.00 O ATOM 1259 CB GLU A 84 -0.452 9.744 3.717 1.00 0.00 C ATOM 1260 CG GLU A 84 0.306 9.893 5.047 1.00 0.00 C ATOM 1261 CD GLU A 84 1.001 11.251 5.244 1.00 0.00 C ATOM 1262 OE1 GLU A 84 0.439 12.297 4.845 1.00 0.00 O ATOM 1263 OE2 GLU A 84 2.097 11.286 5.834 1.00 0.00 O ATOM 0 H GLU A 84 -1.293 8.913 1.420 1.00 0.00 H new ATOM 0 HA GLU A 84 1.152 10.316 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.049 10.642 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.148 8.910 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.394 9.736 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.055 9.104 5.112 1.00 0.00 H new ATOM 1270 N VAL A 85 2.517 8.201 2.484 1.00 0.00 N ATOM 1271 CA VAL A 85 3.354 6.984 2.457 1.00 0.00 C ATOM 1272 C VAL A 85 4.285 6.938 3.685 1.00 0.00 C ATOM 1273 O VAL A 85 5.138 7.812 3.849 1.00 0.00 O ATOM 1274 CB VAL A 85 4.213 6.889 1.136 1.00 0.00 C ATOM 1275 CG1 VAL A 85 5.045 5.582 1.108 1.00 0.00 C ATOM 1276 CG2 VAL A 85 3.319 7.005 -0.128 1.00 0.00 C ATOM 0 H VAL A 85 3.053 9.068 2.450 1.00 0.00 H new ATOM 0 HA VAL A 85 2.677 6.130 2.483 1.00 0.00 H new ATOM 0 HB VAL A 85 4.906 7.731 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.628 5.541 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.718 5.561 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.375 4.723 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.940 6.936 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.587 6.197 -0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.801 7.964 -0.120 1.00 0.00 H new ATOM 1286 N PHE A 86 4.105 5.914 4.543 1.00 0.00 N ATOM 1287 CA PHE A 86 4.980 5.641 5.705 1.00 0.00 C ATOM 1288 C PHE A 86 5.798 4.366 5.445 1.00 0.00 C ATOM 1289 O PHE A 86 5.267 3.402 4.902 1.00 0.00 O ATOM 1290 CB PHE A 86 4.135 5.418 6.983 1.00 0.00 C ATOM 1291 CG PHE A 86 3.344 6.634 7.453 1.00 0.00 C ATOM 1292 CD1 PHE A 86 3.972 7.655 8.161 1.00 0.00 C ATOM 1293 CD2 PHE A 86 1.978 6.752 7.203 1.00 0.00 C ATOM 1294 CE1 PHE A 86 3.264 8.751 8.599 1.00 0.00 C ATOM 1295 CE2 PHE A 86 1.274 7.851 7.647 1.00 0.00 C ATOM 1296 CZ PHE A 86 1.916 8.848 8.343 1.00 0.00 C ATOM 0 H PHE A 86 3.341 5.245 4.449 1.00 0.00 H new ATOM 0 HA PHE A 86 5.638 6.499 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.439 4.599 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.798 5.101 7.788 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.029 7.586 8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.466 5.974 6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.767 9.536 9.144 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.215 7.929 7.448 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.362 9.708 8.689 1.00 0.00 H new ATOM 1306 N LYS A 87 7.084 4.363 5.833 1.00 0.00 N ATOM 1307 CA LYS A 87 7.901 3.132 5.809 1.00 0.00 C ATOM 1308 C LYS A 87 7.391 2.127 6.872 1.00 0.00 C ATOM 1309 O LYS A 87 7.258 2.463 8.052 1.00 0.00 O ATOM 1310 CB LYS A 87 9.403 3.445 6.024 1.00 0.00 C ATOM 1311 CG LYS A 87 10.328 2.215 5.842 1.00 0.00 C ATOM 1312 CD LYS A 87 11.823 2.570 5.974 1.00 0.00 C ATOM 1313 CE LYS A 87 12.754 1.413 5.567 1.00 0.00 C ATOM 1314 NZ LYS A 87 14.180 1.797 5.678 1.00 0.00 N ATOM 0 H LYS A 87 7.580 5.190 6.165 1.00 0.00 H new ATOM 0 HA LYS A 87 7.799 2.679 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.707 4.224 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.541 3.847 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.071 1.459 6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.149 1.773 4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.040 3.440 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.034 2.853 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.559 0.548 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.536 1.113 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.770 1.080 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.328 2.719 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.445 1.862 6.682 1.00 0.00 H new ATOM 1328 N SER A 88 7.109 0.908 6.423 1.00 0.00 N ATOM 1329 CA SER A 88 6.547 -0.166 7.255 1.00 0.00 C ATOM 1330 C SER A 88 7.337 -1.469 7.015 1.00 0.00 C ATOM 1331 O SER A 88 8.442 -1.429 6.472 1.00 0.00 O ATOM 1332 CB SER A 88 5.045 -0.316 6.922 1.00 0.00 C ATOM 1333 OG SER A 88 4.853 -0.635 5.560 1.00 0.00 O ATOM 0 H SER A 88 7.265 0.628 5.455 1.00 0.00 H new ATOM 0 HA SER A 88 6.634 0.073 8.315 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.608 -1.096 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.523 0.611 7.158 1.00 0.00 H new ATOM 0 HG SER A 88 5.208 -1.531 5.381 1.00 0.00 H new ATOM 1339 N ASN A 89 6.754 -2.613 7.393 1.00 0.00 N ATOM 1340 CA ASN A 89 7.443 -3.918 7.375 1.00 0.00 C ATOM 1341 C ASN A 89 6.434 -5.022 7.038 1.00 0.00 C ATOM 1342 O ASN A 89 5.226 -4.810 7.139 1.00 0.00 O ATOM 1343 CB ASN A 89 8.115 -4.165 8.761 1.00 0.00 C ATOM 1344 CG ASN A 89 9.013 -5.408 8.839 1.00 0.00 C ATOM 1345 OD1 ASN A 89 9.559 -5.865 7.835 1.00 0.00 O ATOM 1346 ND2 ASN A 89 9.183 -5.948 10.036 1.00 0.00 N ATOM 0 H ASN A 89 5.790 -2.665 7.721 1.00 0.00 H new ATOM 0 HA ASN A 89 8.221 -3.925 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.710 -3.289 9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.333 -4.253 9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.781 -6.767 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.716 -5.545 10.848 1.00 0.00 H new ATOM 1353 N ASN A 90 6.950 -6.196 6.635 1.00 0.00 N ATOM 1354 CA ASN A 90 6.139 -7.398 6.355 1.00 0.00 C ATOM 1355 C ASN A 90 5.392 -7.856 7.629 1.00 0.00 C ATOM 1356 O ASN A 90 4.280 -8.383 7.550 1.00 0.00 O ATOM 1357 CB ASN A 90 7.054 -8.525 5.806 1.00 0.00 C ATOM 1358 CG ASN A 90 6.307 -9.812 5.432 1.00 0.00 C ATOM 1359 OD1 ASN A 90 6.135 -10.701 6.259 1.00 0.00 O ATOM 1360 ND2 ASN A 90 5.844 -9.913 4.187 1.00 0.00 N ATOM 0 H ASN A 90 7.950 -6.341 6.493 1.00 0.00 H new ATOM 0 HA ASN A 90 5.389 -7.160 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.581 -8.155 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.810 -8.761 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.331 -10.746 3.900 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.003 -9.157 3.521 1.00 0.00 H new ATOM 1367 N VAL A 91 6.016 -7.615 8.802 1.00 0.00 N ATOM 1368 CA VAL A 91 5.431 -7.946 10.115 1.00 0.00 C ATOM 1369 C VAL A 91 4.278 -6.982 10.465 1.00 0.00 C ATOM 1370 O VAL A 91 3.227 -7.417 10.960 1.00 0.00 O ATOM 1371 CB VAL A 91 6.512 -7.941 11.258 1.00 0.00 C ATOM 1372 CG1 VAL A 91 5.888 -8.342 12.623 1.00 0.00 C ATOM 1373 CG2 VAL A 91 7.694 -8.877 10.894 1.00 0.00 C ATOM 0 H VAL A 91 6.939 -7.186 8.863 1.00 0.00 H new ATOM 0 HA VAL A 91 5.032 -8.957 10.040 1.00 0.00 H new ATOM 0 HB VAL A 91 6.896 -6.925 11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.659 -8.330 13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.102 -7.634 12.885 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.465 -9.344 12.549 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.432 -8.860 11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.325 -9.894 10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.157 -8.535 9.968 1.00 0.00 H new ATOM 1383 N GLU A 92 4.478 -5.675 10.186 1.00 0.00 N ATOM 1384 CA GLU A 92 3.451 -4.641 10.430 1.00 0.00 C ATOM 1385 C GLU A 92 2.230 -4.901 9.528 1.00 0.00 C ATOM 1386 O GLU A 92 1.107 -4.987 10.010 1.00 0.00 O ATOM 1387 CB GLU A 92 4.023 -3.212 10.204 1.00 0.00 C ATOM 1388 CG GLU A 92 3.043 -2.056 10.552 1.00 0.00 C ATOM 1389 CD GLU A 92 2.492 -2.120 11.999 1.00 0.00 C ATOM 1390 OE1 GLU A 92 3.302 -2.124 12.947 1.00 0.00 O ATOM 1391 OE2 GLU A 92 1.257 -2.188 12.196 1.00 0.00 O ATOM 0 H GLU A 92 5.345 -5.311 9.790 1.00 0.00 H new ATOM 0 HA GLU A 92 3.137 -4.699 11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.926 -3.098 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.320 -3.116 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.553 -1.104 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.207 -2.078 9.853 1.00 0.00 H new ATOM 1398 N MET A 93 2.511 -5.103 8.229 1.00 0.00 N ATOM 1399 CA MET A 93 1.521 -5.447 7.190 1.00 0.00 C ATOM 1400 C MET A 93 0.680 -6.680 7.598 1.00 0.00 C ATOM 1401 O MET A 93 -0.557 -6.651 7.521 1.00 0.00 O ATOM 1402 CB MET A 93 2.277 -5.675 5.841 1.00 0.00 C ATOM 1403 CG MET A 93 1.420 -6.180 4.661 1.00 0.00 C ATOM 1404 SD MET A 93 1.184 -7.967 4.668 1.00 0.00 S ATOM 1405 CE MET A 93 2.870 -8.536 4.521 1.00 0.00 C ATOM 0 H MET A 93 3.460 -5.030 7.861 1.00 0.00 H new ATOM 0 HA MET A 93 0.814 -4.626 7.069 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.746 -4.736 5.547 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.080 -6.392 6.014 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.446 -5.691 4.692 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.894 -5.886 3.724 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.940 -9.259 3.708 1.00 0.00 H new ATOM 0 HE2 MET A 93 3.523 -7.689 4.311 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.177 -9.008 5.454 1.00 0.00 H new ATOM 1415 N ASP A 94 1.377 -7.722 8.093 1.00 0.00 N ATOM 1416 CA ASP A 94 0.756 -8.986 8.550 1.00 0.00 C ATOM 1417 C ASP A 94 -0.204 -8.744 9.731 1.00 0.00 C ATOM 1418 O ASP A 94 -1.318 -9.289 9.757 1.00 0.00 O ATOM 1419 CB ASP A 94 1.853 -10.001 8.969 1.00 0.00 C ATOM 1420 CG ASP A 94 1.288 -11.338 9.490 1.00 0.00 C ATOM 1421 OD1 ASP A 94 0.916 -12.197 8.664 1.00 0.00 O ATOM 1422 OD2 ASP A 94 1.197 -11.534 10.726 1.00 0.00 O ATOM 0 H ASP A 94 2.392 -7.712 8.188 1.00 0.00 H new ATOM 0 HA ASP A 94 0.181 -9.394 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.500 -10.198 8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.475 -9.552 9.743 1.00 0.00 H new ATOM 1427 N TRP A 95 0.241 -7.921 10.695 1.00 0.00 N ATOM 1428 CA TRP A 95 -0.521 -7.613 11.921 1.00 0.00 C ATOM 1429 C TRP A 95 -1.842 -6.882 11.595 1.00 0.00 C ATOM 1430 O TRP A 95 -2.882 -7.169 12.195 1.00 0.00 O ATOM 1431 CB TRP A 95 0.374 -6.794 12.906 1.00 0.00 C ATOM 1432 CG TRP A 95 -0.350 -6.161 14.092 1.00 0.00 C ATOM 1433 CD1 TRP A 95 -0.266 -4.853 14.493 1.00 0.00 C ATOM 1434 CD2 TRP A 95 -1.284 -6.793 15.001 1.00 0.00 C ATOM 1435 NE1 TRP A 95 -1.082 -4.633 15.573 1.00 0.00 N ATOM 1436 CE2 TRP A 95 -1.711 -5.806 15.907 1.00 0.00 C ATOM 1437 CE3 TRP A 95 -1.797 -8.094 15.140 1.00 0.00 C ATOM 1438 CZ2 TRP A 95 -2.627 -6.072 16.923 1.00 0.00 C ATOM 1439 CZ3 TRP A 95 -2.702 -8.354 16.149 1.00 0.00 C ATOM 1440 CH2 TRP A 95 -3.110 -7.348 17.031 1.00 0.00 C ATOM 0 H TRP A 95 1.143 -7.448 10.647 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.798 -8.548 12.409 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.155 -7.451 13.290 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.871 -6.003 12.344 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.354 -4.103 14.025 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.202 -3.740 16.052 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.487 -8.879 14.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.946 -5.296 17.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.102 -9.351 16.259 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.819 -7.582 17.811 1.00 0.00 H new ATOM 1451 N VAL A 96 -1.798 -5.962 10.626 1.00 0.00 N ATOM 1452 CA VAL A 96 -2.977 -5.159 10.241 1.00 0.00 C ATOM 1453 C VAL A 96 -3.932 -5.984 9.328 1.00 0.00 C ATOM 1454 O VAL A 96 -5.109 -5.644 9.169 1.00 0.00 O ATOM 1455 CB VAL A 96 -2.551 -3.803 9.565 1.00 0.00 C ATOM 1456 CG1 VAL A 96 -3.731 -2.806 9.488 1.00 0.00 C ATOM 1457 CG2 VAL A 96 -1.368 -3.157 10.314 1.00 0.00 C ATOM 0 H VAL A 96 -0.958 -5.750 10.088 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.524 -4.905 11.149 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.238 -4.040 8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.397 -1.882 9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.539 -3.243 8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.090 -2.589 10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.095 -2.222 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.657 -2.956 11.346 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.515 -3.836 10.301 1.00 0.00 H new ATOM 1467 N LEU A 97 -3.404 -7.066 8.722 1.00 0.00 N ATOM 1468 CA LEU A 97 -4.229 -8.084 8.025 1.00 0.00 C ATOM 1469 C LEU A 97 -4.885 -9.045 9.027 1.00 0.00 C ATOM 1470 O LEU A 97 -5.965 -9.581 8.768 1.00 0.00 O ATOM 1471 CB LEU A 97 -3.379 -8.899 7.024 1.00 0.00 C ATOM 1472 CG LEU A 97 -2.845 -8.122 5.792 1.00 0.00 C ATOM 1473 CD1 LEU A 97 -1.893 -9.011 4.978 1.00 0.00 C ATOM 1474 CD2 LEU A 97 -4.004 -7.577 4.919 1.00 0.00 C ATOM 0 H LEU A 97 -2.403 -7.262 8.699 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.007 -7.548 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.528 -9.320 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.978 -9.737 6.668 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.284 -7.257 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.524 -8.455 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.052 -9.311 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.426 -9.898 4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.594 -7.038 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.614 -8.408 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.620 -6.901 5.512 1.00 0.00 H new ATOM 1486 N LYS A 98 -4.206 -9.262 10.166 1.00 0.00 N ATOM 1487 CA LYS A 98 -4.672 -10.170 11.235 1.00 0.00 C ATOM 1488 C LYS A 98 -5.751 -9.468 12.073 1.00 0.00 C ATOM 1489 O LYS A 98 -6.727 -10.082 12.517 1.00 0.00 O ATOM 1490 CB LYS A 98 -3.463 -10.565 12.125 1.00 0.00 C ATOM 1491 CG LYS A 98 -3.805 -11.436 13.358 1.00 0.00 C ATOM 1492 CD LYS A 98 -2.563 -11.765 14.215 1.00 0.00 C ATOM 1493 CE LYS A 98 -1.524 -12.617 13.464 1.00 0.00 C ATOM 1494 NZ LYS A 98 -2.070 -13.939 13.058 1.00 0.00 N ATOM 0 H LYS A 98 -3.315 -8.812 10.375 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.104 -11.071 10.799 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.741 -11.102 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.973 -9.654 12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.539 -10.916 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.269 -12.365 13.025 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.096 -10.835 14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.878 -12.295 15.114 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.186 -12.078 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.651 -12.766 14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.303 -14.530 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.492 -14.409 13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.798 -13.804 12.327 1.00 0.00 H new ATOM 1508 N HIS A 99 -5.549 -8.159 12.242 1.00 0.00 N ATOM 1509 CA HIS A 99 -6.422 -7.270 12.999 1.00 0.00 C ATOM 1510 C HIS A 99 -6.622 -6.020 12.139 1.00 0.00 C ATOM 1511 O HIS A 99 -5.805 -5.091 12.175 1.00 0.00 O ATOM 1512 CB HIS A 99 -5.803 -6.933 14.389 1.00 0.00 C ATOM 1513 CG HIS A 99 -6.685 -6.101 15.298 1.00 0.00 C ATOM 1514 ND1 HIS A 99 -7.349 -6.616 16.388 1.00 0.00 N ATOM 1515 CD2 HIS A 99 -7.005 -4.781 15.268 1.00 0.00 C ATOM 1516 CE1 HIS A 99 -8.040 -5.661 16.977 1.00 0.00 C ATOM 1517 NE2 HIS A 99 -7.846 -4.540 16.321 1.00 0.00 N ATOM 0 H HIS A 99 -4.745 -7.676 11.841 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.383 -7.740 13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.560 -7.866 14.898 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.864 -6.402 14.233 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.660 -4.055 14.546 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.661 -5.780 17.852 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.256 -3.636 16.558 1.00 0.00 H new