USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 748 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 22 TYR OH : rot -122:sc= 0.955 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.251 K(o=1.5,f=0.53) USER MOD Set 1.3: A 105 SER OG : rot -79:sc= 0.84 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -0.678 K(o=-0.21,f=-3.4!) USER MOD Set 2.2: A 94 SER OG : rot 170:sc= 0.47 USER MOD Set 3.1: A 89 HIS : no HD1:sc= 0.869 K(o=2.2,f=-5.2!) USER MOD Set 3.2: A 119 THR OG1 : rot 96:sc= 1.33 USER MOD Set 4.1: A 64 MET CE :methyl -170:sc= -0.156 (180deg=-0.217) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.05 K(o=0.89,f=-0.42) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5.4!) USER MOD Set 5.2: A 40 SER OG : rot -102:sc= 1.29 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.04) USER MOD Single : A 29 SER OG : rot 56:sc= 1.23 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -144:sc= 2.61 (180deg=0.321!) USER MOD Single : A 47 TYR OH : rot -5:sc= 1.24 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 5:sc= 0.133 USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0.195 (180deg=0.0257) USER MOD Single : A 61 SER OG : rot -83:sc= 1.31 USER MOD Single : A 65 GLN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.829) USER MOD Single : A 69 CYS SG : rot 170:sc=-0.00592 USER MOD Single : A 71 CYS SG : rot 90:sc= -1.6 USER MOD Single : A 73 CYS SG : rot 151:sc= 1.33 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0.573 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -174:sc= 0 (180deg=-0.0388) USER MOD Single : A 97 TYR OH : rot 80:sc= -0.0127 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 40:sc= 1.1 USER MOD Single : A 108 LYS NZ :NH3+ -161:sc= 1.27 (180deg=1.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.882) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.212 11.276 4.116 1.00 0.00 N ATOM 57 CA ASP A 5 6.937 10.938 3.492 1.00 0.00 C ATOM 58 C ASP A 5 7.172 10.965 1.985 1.00 0.00 C ATOM 59 O ASP A 5 8.104 11.633 1.531 1.00 0.00 O ATOM 60 CB ASP A 5 5.864 11.962 3.889 1.00 0.00 C ATOM 61 CG ASP A 5 4.533 11.661 3.189 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.792 10.770 3.659 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.248 12.293 2.149 1.00 0.00 O ATOM 0 HA ASP A 5 6.585 9.958 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.723 11.946 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.199 12.966 3.626 1.00 0.00 H new ATOM 68 N LEU A 6 6.356 10.270 1.192 1.00 0.00 N ATOM 69 CA LEU A 6 6.524 10.232 -0.255 1.00 0.00 C ATOM 70 C LEU A 6 6.464 11.623 -0.894 1.00 0.00 C ATOM 71 O LEU A 6 7.109 11.830 -1.921 1.00 0.00 O ATOM 72 CB LEU A 6 5.475 9.300 -0.886 1.00 0.00 C ATOM 73 CG LEU A 6 5.610 7.799 -0.561 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.798 7.006 -1.587 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.045 7.258 -0.565 1.00 0.00 C ATOM 0 H LEU A 6 5.567 9.722 1.534 1.00 0.00 H new ATOM 0 HA LEU A 6 7.522 9.840 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.487 9.631 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.517 9.421 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 6 5.244 7.681 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.882 5.941 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.751 7.306 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.181 7.206 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.034 6.195 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.486 7.403 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.637 7.791 0.179 1.00 0.00 H new ATOM 87 N ALA A 7 5.753 12.593 -0.310 1.00 0.00 N ATOM 88 CA ALA A 7 5.765 13.967 -0.789 1.00 0.00 C ATOM 89 C ALA A 7 7.127 14.647 -0.566 1.00 0.00 C ATOM 90 O ALA A 7 7.474 15.577 -1.296 1.00 0.00 O ATOM 91 CB ALA A 7 4.661 14.770 -0.092 1.00 0.00 C ATOM 0 H ALA A 7 5.157 12.442 0.504 1.00 0.00 H new ATOM 0 HA ALA A 7 5.584 13.942 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.675 15.798 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.692 14.321 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.830 14.763 0.985 1.00 0.00 H new ATOM 97 N LEU A 8 7.881 14.217 0.453 1.00 0.00 N ATOM 98 CA LEU A 8 9.150 14.815 0.856 1.00 0.00 C ATOM 99 C LEU A 8 10.333 14.166 0.136 1.00 0.00 C ATOM 100 O LEU A 8 11.326 14.853 -0.103 1.00 0.00 O ATOM 101 CB LEU A 8 9.347 14.697 2.381 1.00 0.00 C ATOM 102 CG LEU A 8 8.283 15.417 3.235 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.541 15.143 4.721 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.264 16.932 2.995 1.00 0.00 C ATOM 0 H LEU A 8 7.614 13.422 1.033 1.00 0.00 H new ATOM 0 HA LEU A 8 9.113 15.868 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.353 13.641 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.328 15.097 2.637 1.00 0.00 H new ATOM 0 HG LEU A 8 7.311 15.024 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.788 15.653 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.488 14.070 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.531 15.510 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.498 17.390 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.237 17.353 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.043 17.132 1.946 1.00 0.00 H new ATOM 116 N ILE A 9 10.253 12.873 -0.209 1.00 0.00 N ATOM 117 CA ILE A 9 11.303 12.181 -0.966 1.00 0.00 C ATOM 118 C ILE A 9 11.477 12.925 -2.304 1.00 0.00 C ATOM 119 O ILE A 9 10.484 13.033 -3.030 1.00 0.00 O ATOM 120 CB ILE A 9 10.947 10.688 -1.172 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.915 9.970 0.198 1.00 0.00 C ATOM 122 CG2 ILE A 9 11.959 9.991 -2.103 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.496 8.501 0.124 1.00 0.00 C ATOM 0 H ILE A 9 9.459 12.279 0.029 1.00 0.00 H new ATOM 0 HA ILE A 9 12.244 12.192 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 9 9.965 10.634 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.904 10.032 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.228 10.500 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.679 8.945 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.958 10.484 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.956 10.051 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.499 8.071 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.494 8.429 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.196 7.954 -0.508 1.00 0.00 H new ATOM 135 N PRO A 10 12.679 13.423 -2.659 1.00 0.00 N ATOM 136 CA PRO A 10 12.931 14.053 -3.954 1.00 0.00 C ATOM 137 C PRO A 10 12.506 13.139 -5.104 1.00 0.00 C ATOM 138 O PRO A 10 12.785 11.938 -5.071 1.00 0.00 O ATOM 139 CB PRO A 10 14.437 14.337 -4.000 1.00 0.00 C ATOM 140 CG PRO A 10 14.829 14.428 -2.528 1.00 0.00 C ATOM 141 CD PRO A 10 13.893 13.425 -1.857 1.00 0.00 C ATOM 0 HA PRO A 10 12.353 14.970 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 10 14.980 13.542 -4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.654 15.264 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.876 14.168 -2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.689 15.435 -2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.342 12.432 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.682 13.714 -0.828 1.00 0.00 H new ATOM 149 N ASP A 11 11.862 13.687 -6.134 1.00 0.00 N ATOM 150 CA ASP A 11 11.348 12.891 -7.251 1.00 0.00 C ATOM 151 C ASP A 11 12.449 12.605 -8.270 1.00 0.00 C ATOM 152 O ASP A 11 12.570 11.479 -8.757 1.00 0.00 O ATOM 153 CB ASP A 11 10.156 13.593 -7.918 1.00 0.00 C ATOM 154 CG ASP A 11 8.859 13.280 -7.166 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.592 13.899 -6.113 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.130 12.349 -7.568 1.00 0.00 O ATOM 0 H ASP A 11 11.682 14.687 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 11 11.001 11.937 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.323 14.670 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.069 13.269 -8.955 1.00 0.00 H new ATOM 161 N VAL A 12 13.328 13.572 -8.534 1.00 0.00 N ATOM 162 CA VAL A 12 14.322 13.487 -9.601 1.00 0.00 C ATOM 163 C VAL A 12 15.641 14.031 -9.070 1.00 0.00 C ATOM 164 O VAL A 12 15.666 15.072 -8.410 1.00 0.00 O ATOM 165 CB VAL A 12 13.857 14.308 -10.823 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.818 14.189 -12.016 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.456 13.913 -11.298 1.00 0.00 C ATOM 0 H VAL A 12 13.369 14.444 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 12 14.448 12.451 -9.916 1.00 0.00 H new ATOM 0 HB VAL A 12 13.843 15.340 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.442 14.786 -12.847 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.804 14.551 -11.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.890 13.145 -12.322 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.179 14.521 -12.159 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.451 12.860 -11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.739 14.076 -10.493 1.00 0.00 H new ATOM 177 N ASP A 13 16.729 13.342 -9.398 1.00 0.00 N ATOM 178 CA ASP A 13 18.095 13.799 -9.191 1.00 0.00 C ATOM 179 C ASP A 13 18.936 13.030 -10.203 1.00 0.00 C ATOM 180 O ASP A 13 18.985 11.801 -10.148 1.00 0.00 O ATOM 181 CB ASP A 13 18.573 13.539 -7.758 1.00 0.00 C ATOM 182 CG ASP A 13 20.043 13.954 -7.591 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.421 15.065 -8.026 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.819 13.179 -6.991 1.00 0.00 O ATOM 0 H ASP A 13 16.680 12.419 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 13 18.177 14.877 -9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.951 14.094 -7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.459 12.482 -7.518 1.00 0.00 H new ATOM 189 N ILE A 14 19.503 13.731 -11.185 1.00 0.00 N ATOM 190 CA ILE A 14 20.218 13.139 -12.311 1.00 0.00 C ATOM 191 C ILE A 14 21.407 14.039 -12.665 1.00 0.00 C ATOM 192 O ILE A 14 21.351 15.253 -12.445 1.00 0.00 O ATOM 193 CB ILE A 14 19.271 12.910 -13.526 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.546 14.191 -14.012 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.241 11.805 -13.224 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.777 14.003 -15.327 1.00 0.00 C ATOM 0 H ILE A 14 19.476 14.750 -11.218 1.00 0.00 H new ATOM 0 HA ILE A 14 20.593 12.154 -12.032 1.00 0.00 H new ATOM 0 HB ILE A 14 19.921 12.595 -14.342 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.852 14.520 -13.239 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.280 14.987 -14.141 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.593 11.666 -14.089 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.761 10.872 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.639 12.094 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.296 14.941 -15.604 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.469 13.704 -16.114 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.019 13.231 -15.198 1.00 0.00 H new ATOM 266 N PHE A 20 24.484 8.511 -21.012 1.00 0.00 N ATOM 267 CA PHE A 20 24.645 7.680 -19.809 1.00 0.00 C ATOM 268 C PHE A 20 23.302 7.033 -19.440 1.00 0.00 C ATOM 269 O PHE A 20 22.272 7.336 -20.041 1.00 0.00 O ATOM 270 CB PHE A 20 25.194 8.511 -18.633 1.00 0.00 C ATOM 271 CG PHE A 20 26.691 8.752 -18.676 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.585 7.686 -18.446 1.00 0.00 C ATOM 273 CD2 PHE A 20 27.198 10.040 -18.929 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.974 7.908 -18.477 1.00 0.00 C ATOM 275 CE2 PHE A 20 28.586 10.261 -18.964 1.00 0.00 C ATOM 276 CZ PHE A 20 29.475 9.196 -18.740 1.00 0.00 C ATOM 0 HA PHE A 20 25.368 6.893 -20.023 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.684 9.474 -18.617 1.00 0.00 H new ATOM 0 HB3 PHE A 20 24.947 8.004 -17.700 1.00 0.00 H new ATOM 0 HD1 PHE A 20 27.202 6.696 -18.245 1.00 0.00 H new ATOM 0 HD2 PHE A 20 26.518 10.862 -19.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.656 7.089 -18.299 1.00 0.00 H new ATOM 0 HE2 PHE A 20 28.970 11.251 -19.163 1.00 0.00 H new ATOM 0 HZ PHE A 20 30.541 9.366 -18.770 1.00 0.00 H new ATOM 286 N LYS A 21 23.301 6.106 -18.477 1.00 0.00 N ATOM 287 CA LYS A 21 22.148 5.253 -18.166 1.00 0.00 C ATOM 288 C LYS A 21 21.340 5.802 -16.992 1.00 0.00 C ATOM 289 O LYS A 21 21.832 6.623 -16.214 1.00 0.00 O ATOM 290 CB LYS A 21 22.638 3.825 -17.872 1.00 0.00 C ATOM 291 CG LYS A 21 23.300 3.166 -19.095 1.00 0.00 C ATOM 292 CD LYS A 21 23.952 1.833 -18.710 1.00 0.00 C ATOM 293 CE LYS A 21 24.693 1.237 -19.916 1.00 0.00 C ATOM 294 NZ LYS A 21 25.434 0.000 -19.564 1.00 0.00 N ATOM 0 H LYS A 21 24.111 5.924 -17.884 1.00 0.00 H new ATOM 0 HA LYS A 21 21.484 5.239 -19.030 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.350 3.851 -17.047 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.795 3.215 -17.546 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.554 3.000 -19.872 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.051 3.836 -19.512 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.648 1.985 -17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.191 1.135 -18.360 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.977 1.017 -20.708 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.390 1.975 -20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.076 -0.253 -20.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.986 0.161 -18.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.759 -0.775 -19.405 1.00 0.00 H new ATOM 308 N TYR A 22 20.104 5.318 -16.843 1.00 0.00 N ATOM 309 CA TYR A 22 19.193 5.690 -15.765 1.00 0.00 C ATOM 310 C TYR A 22 18.327 4.477 -15.376 1.00 0.00 C ATOM 311 O TYR A 22 18.346 3.443 -16.060 1.00 0.00 O ATOM 312 CB TYR A 22 18.373 6.932 -16.183 1.00 0.00 C ATOM 313 CG TYR A 22 16.910 6.672 -16.462 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.546 5.909 -17.581 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.931 7.088 -15.540 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.213 5.511 -17.753 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.588 6.723 -15.726 1.00 0.00 C ATOM 318 CZ TYR A 22 14.229 5.921 -16.827 1.00 0.00 C ATOM 319 OH TYR A 22 12.934 5.560 -17.015 1.00 0.00 O ATOM 0 H TYR A 22 19.701 4.638 -17.488 1.00 0.00 H new ATOM 0 HA TYR A 22 19.747 5.973 -14.870 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.449 7.680 -15.394 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.826 7.363 -17.076 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.292 5.628 -18.310 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.213 7.689 -14.688 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.939 4.891 -18.594 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.834 7.056 -15.028 1.00 0.00 H new ATOM 0 HH TYR A 22 12.374 6.363 -17.063 1.00 0.00 H new ATOM 329 N VAL A 23 17.559 4.608 -14.291 1.00 0.00 N ATOM 330 CA VAL A 23 16.604 3.619 -13.810 1.00 0.00 C ATOM 331 C VAL A 23 15.375 4.359 -13.251 1.00 0.00 C ATOM 332 O VAL A 23 15.478 5.507 -12.800 1.00 0.00 O ATOM 333 CB VAL A 23 17.315 2.697 -12.787 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.570 3.383 -11.436 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.578 1.373 -12.558 1.00 0.00 C ATOM 0 H VAL A 23 17.591 5.441 -13.704 1.00 0.00 H new ATOM 0 HA VAL A 23 16.241 2.970 -14.607 1.00 0.00 H new ATOM 0 HB VAL A 23 18.279 2.476 -13.246 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.070 2.687 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.201 4.259 -11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.620 3.691 -10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.126 0.772 -11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.576 1.575 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.507 0.828 -13.500 1.00 0.00 H new ATOM 345 N LEU A 24 14.219 3.689 -13.244 1.00 0.00 N ATOM 346 CA LEU A 24 12.963 4.201 -12.706 1.00 0.00 C ATOM 347 C LEU A 24 12.588 3.258 -11.574 1.00 0.00 C ATOM 348 O LEU A 24 12.450 2.060 -11.832 1.00 0.00 O ATOM 349 CB LEU A 24 11.885 4.183 -13.808 1.00 0.00 C ATOM 350 CG LEU A 24 10.536 4.828 -13.420 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.663 6.348 -13.297 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.476 4.516 -14.482 1.00 0.00 C ATOM 0 H LEU A 24 14.133 2.747 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 24 13.052 5.228 -12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.277 4.698 -14.685 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.704 3.149 -14.100 1.00 0.00 H new ATOM 0 HG LEU A 24 10.241 4.413 -12.456 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.697 6.773 -13.023 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.397 6.591 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.985 6.765 -14.251 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.530 4.976 -14.198 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.798 4.913 -15.445 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.346 3.437 -14.560 1.00 0.00 H new ATOM 364 N ILE A 25 12.445 3.746 -10.338 1.00 0.00 N ATOM 365 CA ILE A 25 12.172 2.874 -9.199 1.00 0.00 C ATOM 366 C ILE A 25 10.899 3.339 -8.498 1.00 0.00 C ATOM 367 O ILE A 25 10.725 4.530 -8.235 1.00 0.00 O ATOM 368 CB ILE A 25 13.412 2.642 -8.280 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.317 3.259 -6.868 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.765 3.018 -8.923 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.368 2.719 -5.893 1.00 0.00 C ATOM 0 H ILE A 25 12.514 4.737 -10.104 1.00 0.00 H new ATOM 0 HA ILE A 25 11.975 1.864 -9.559 1.00 0.00 H new ATOM 0 HB ILE A 25 13.385 1.559 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.426 4.341 -6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.324 3.067 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.571 2.825 -8.215 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.920 2.420 -9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.761 4.075 -9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.242 3.196 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.246 1.641 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.365 2.935 -6.277 1.00 0.00 H new ATOM 383 N ARG A 26 10.002 2.394 -8.216 1.00 0.00 N ATOM 384 CA ARG A 26 8.842 2.618 -7.368 1.00 0.00 C ATOM 385 C ARG A 26 9.315 2.645 -5.924 1.00 0.00 C ATOM 386 O ARG A 26 10.210 1.880 -5.571 1.00 0.00 O ATOM 387 CB ARG A 26 7.817 1.500 -7.605 1.00 0.00 C ATOM 388 CG ARG A 26 6.527 1.692 -6.784 1.00 0.00 C ATOM 389 CD ARG A 26 5.330 0.965 -7.413 1.00 0.00 C ATOM 390 NE ARG A 26 4.889 1.669 -8.627 1.00 0.00 N ATOM 391 CZ ARG A 26 4.088 1.216 -9.593 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.559 -0.003 -9.524 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.826 2.002 -10.633 1.00 0.00 N ATOM 0 H ARG A 26 10.066 1.442 -8.577 1.00 0.00 H new ATOM 0 HA ARG A 26 8.358 3.566 -7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.566 1.462 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.266 0.540 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.684 1.322 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.303 2.756 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.606 -0.060 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.510 0.912 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 26 5.238 2.620 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.764 -0.604 -8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.948 -0.337 -10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.235 2.935 -10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.216 1.672 -11.381 1.00 0.00 H new ATOM 407 N VAL A 27 8.674 3.458 -5.094 1.00 0.00 N ATOM 408 CA VAL A 27 8.946 3.640 -3.681 1.00 0.00 C ATOM 409 C VAL A 27 7.578 3.518 -3.010 1.00 0.00 C ATOM 410 O VAL A 27 6.662 4.267 -3.361 1.00 0.00 O ATOM 411 CB VAL A 27 9.564 5.040 -3.442 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.043 5.215 -1.996 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.713 5.408 -4.394 1.00 0.00 C ATOM 0 H VAL A 27 7.902 4.043 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 27 9.656 2.914 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 27 8.742 5.724 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.469 6.210 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.200 5.094 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.801 4.465 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.082 6.404 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.522 4.685 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.352 5.396 -5.422 1.00 0.00 H new ATOM 423 N HIS A 28 7.414 2.568 -2.091 1.00 0.00 N ATOM 424 CA HIS A 28 6.199 2.409 -1.297 1.00 0.00 C ATOM 425 C HIS A 28 6.334 3.229 -0.011 1.00 0.00 C ATOM 426 O HIS A 28 7.440 3.386 0.516 1.00 0.00 O ATOM 427 CB HIS A 28 5.995 0.923 -0.977 1.00 0.00 C ATOM 428 CG HIS A 28 5.894 0.049 -2.206 1.00 0.00 C ATOM 429 ND1 HIS A 28 4.964 0.157 -3.218 1.00 0.00 N ATOM 430 CD2 HIS A 28 6.717 -0.993 -2.535 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.215 -0.804 -4.120 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.281 -1.536 -3.752 1.00 0.00 N ATOM 0 H HIS A 28 8.133 1.877 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 28 5.332 2.766 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.824 0.575 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.088 0.809 -0.384 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.560 -1.339 -1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.639 -0.967 -5.019 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.689 -2.324 -4.255 1.00 0.00 H new ATOM 440 N SER A 29 5.210 3.727 0.509 1.00 0.00 N ATOM 441 CA SER A 29 5.149 4.472 1.761 1.00 0.00 C ATOM 442 C SER A 29 5.512 3.552 2.935 1.00 0.00 C ATOM 443 O SER A 29 4.662 2.816 3.440 1.00 0.00 O ATOM 444 CB SER A 29 3.750 5.069 1.979 1.00 0.00 C ATOM 445 OG SER A 29 3.308 5.851 0.892 1.00 0.00 O ATOM 0 H SER A 29 4.301 3.620 0.060 1.00 0.00 H new ATOM 0 HA SER A 29 5.866 5.291 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.039 4.261 2.151 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.759 5.682 2.880 1.00 0.00 H new ATOM 0 HG SER A 29 3.327 5.313 0.073 1.00 0.00 H new ATOM 451 N ALA A 30 6.775 3.576 3.365 1.00 0.00 N ATOM 452 CA ALA A 30 7.229 2.936 4.594 1.00 0.00 C ATOM 453 C ALA A 30 8.374 3.671 5.338 1.00 0.00 C ATOM 454 O ALA A 30 9.012 3.003 6.150 1.00 0.00 O ATOM 455 CB ALA A 30 7.563 1.460 4.305 1.00 0.00 C ATOM 0 H ALA A 30 7.522 4.050 2.857 1.00 0.00 H new ATOM 0 HA ALA A 30 6.402 2.994 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.903 0.978 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.673 0.951 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.350 1.406 3.553 1.00 0.00 H new ATOM 461 N PRO A 31 8.687 4.981 5.145 1.00 0.00 N ATOM 462 CA PRO A 31 9.635 5.687 6.010 1.00 0.00 C ATOM 463 C PRO A 31 9.526 5.331 7.501 1.00 0.00 C ATOM 464 O PRO A 31 8.435 5.290 8.075 1.00 0.00 O ATOM 465 CB PRO A 31 9.397 7.175 5.770 1.00 0.00 C ATOM 466 CG PRO A 31 9.040 7.208 4.290 1.00 0.00 C ATOM 467 CD PRO A 31 8.234 5.919 4.113 1.00 0.00 C ATOM 0 HA PRO A 31 10.650 5.383 5.752 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.591 7.564 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.284 7.770 5.988 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.454 8.091 4.034 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.928 7.221 3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.167 6.116 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.389 5.501 3.118 1.00 0.00 H new ATOM 475 N ARG A 32 10.688 5.063 8.105 1.00 0.00 N ATOM 476 CA ARG A 32 10.917 4.600 9.478 1.00 0.00 C ATOM 477 C ARG A 32 9.953 3.492 9.938 1.00 0.00 C ATOM 478 O ARG A 32 9.699 3.367 11.136 1.00 0.00 O ATOM 479 CB ARG A 32 10.950 5.806 10.436 1.00 0.00 C ATOM 480 CG ARG A 32 11.856 6.973 10.003 1.00 0.00 C ATOM 481 CD ARG A 32 13.352 6.653 9.932 1.00 0.00 C ATOM 482 NE ARG A 32 14.103 7.904 9.733 1.00 0.00 N ATOM 483 CZ ARG A 32 15.300 8.049 9.156 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.951 7.005 8.649 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.840 9.261 9.087 1.00 0.00 N ATOM 0 H ARG A 32 11.569 5.174 7.603 1.00 0.00 H new ATOM 0 HA ARG A 32 11.893 4.115 9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.934 6.182 10.553 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.277 5.460 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.529 7.320 9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.711 7.800 10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.676 6.162 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.550 5.961 9.113 1.00 0.00 H new ATOM 0 HE ARG A 32 13.659 8.757 10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.537 6.074 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.864 7.136 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.342 10.064 9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.753 9.389 8.650 1.00 0.00 H new ATOM 499 N SER A 33 9.416 2.695 9.008 1.00 0.00 N ATOM 500 CA SER A 33 8.403 1.674 9.262 1.00 0.00 C ATOM 501 C SER A 33 7.193 2.229 10.042 1.00 0.00 C ATOM 502 O SER A 33 6.583 1.509 10.839 1.00 0.00 O ATOM 503 CB SER A 33 9.058 0.447 9.920 1.00 0.00 C ATOM 504 OG SER A 33 10.217 0.035 9.203 1.00 0.00 O ATOM 0 H SER A 33 9.686 2.748 8.026 1.00 0.00 H new ATOM 0 HA SER A 33 7.983 1.347 8.311 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.329 0.684 10.949 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.341 -0.373 9.960 1.00 0.00 H new ATOM 0 HG SER A 33 10.614 -0.745 9.644 1.00 0.00 H new ATOM 510 N GLY A 34 6.846 3.507 9.837 1.00 0.00 N ATOM 511 CA GLY A 34 5.807 4.203 10.595 1.00 0.00 C ATOM 512 C GLY A 34 5.087 5.274 9.774 1.00 0.00 C ATOM 513 O GLY A 34 4.480 6.179 10.351 1.00 0.00 O ATOM 0 H GLY A 34 7.288 4.092 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.078 3.476 10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.255 4.666 11.474 1.00 0.00 H new ATOM 551 N ALA A 38 0.038 3.565 2.654 1.00 0.00 N ATOM 552 CA ALA A 38 0.730 2.601 1.795 1.00 0.00 C ATOM 553 C ALA A 38 0.563 2.983 0.321 1.00 0.00 C ATOM 554 O ALA A 38 0.398 2.120 -0.546 1.00 0.00 O ATOM 555 CB ALA A 38 0.264 1.174 2.107 1.00 0.00 C ATOM 0 HA ALA A 38 1.800 2.629 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.788 0.470 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.482 0.940 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.809 1.096 1.934 1.00 0.00 H new ATOM 561 N GLU A 39 0.563 4.289 0.042 1.00 0.00 N ATOM 562 CA GLU A 39 0.632 4.795 -1.323 1.00 0.00 C ATOM 563 C GLU A 39 2.035 4.531 -1.894 1.00 0.00 C ATOM 564 O GLU A 39 2.942 4.133 -1.152 1.00 0.00 O ATOM 565 CB GLU A 39 0.285 6.295 -1.354 1.00 0.00 C ATOM 566 CG GLU A 39 -1.162 6.569 -0.914 1.00 0.00 C ATOM 567 CD GLU A 39 -1.526 8.056 -1.071 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.334 8.844 -0.117 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.033 8.452 -2.146 1.00 0.00 O ATOM 0 H GLU A 39 0.515 5.018 0.754 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.098 4.276 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.969 6.837 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.434 6.679 -2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.845 5.961 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.290 6.270 0.126 1.00 0.00 H new ATOM 576 N SER A 40 2.241 4.798 -3.186 1.00 0.00 N ATOM 577 CA SER A 40 3.532 4.643 -3.851 1.00 0.00 C ATOM 578 C SER A 40 3.811 5.835 -4.772 1.00 0.00 C ATOM 579 O SER A 40 2.887 6.551 -5.173 1.00 0.00 O ATOM 580 CB SER A 40 3.577 3.330 -4.643 1.00 0.00 C ATOM 581 OG SER A 40 3.122 2.231 -3.871 1.00 0.00 O ATOM 0 H SER A 40 1.504 5.133 -3.806 1.00 0.00 H new ATOM 0 HA SER A 40 4.308 4.610 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.962 3.425 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.598 3.142 -4.976 1.00 0.00 H new ATOM 0 HG SER A 40 3.891 1.713 -3.553 1.00 0.00 H new ATOM 587 N LYS A 41 5.082 6.030 -5.128 1.00 0.00 N ATOM 588 CA LYS A 41 5.552 7.010 -6.110 1.00 0.00 C ATOM 589 C LYS A 41 6.646 6.359 -6.948 1.00 0.00 C ATOM 590 O LYS A 41 7.241 5.379 -6.503 1.00 0.00 O ATOM 591 CB LYS A 41 6.098 8.279 -5.412 1.00 0.00 C ATOM 592 CG LYS A 41 7.424 8.038 -4.652 1.00 0.00 C ATOM 593 CD LYS A 41 8.015 9.274 -3.962 1.00 0.00 C ATOM 594 CE LYS A 41 8.457 10.366 -4.943 1.00 0.00 C ATOM 595 NZ LYS A 41 8.418 11.727 -4.356 1.00 0.00 N ATOM 0 H LYS A 41 5.844 5.487 -4.723 1.00 0.00 H new ATOM 0 HA LYS A 41 4.720 7.317 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.252 9.058 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.349 8.651 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.258 7.266 -3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.160 7.646 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.274 9.688 -3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.870 8.970 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.471 10.152 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.814 10.338 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.122 12.410 -5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.741 11.745 -3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.364 11.982 -4.007 1.00 0.00 H new ATOM 609 N GLU A 42 6.992 6.965 -8.081 1.00 0.00 N ATOM 610 CA GLU A 42 8.158 6.589 -8.862 1.00 0.00 C ATOM 611 C GLU A 42 9.173 7.721 -8.713 1.00 0.00 C ATOM 612 O GLU A 42 8.795 8.893 -8.789 1.00 0.00 O ATOM 613 CB GLU A 42 7.793 6.410 -10.345 1.00 0.00 C ATOM 614 CG GLU A 42 7.386 4.986 -10.737 1.00 0.00 C ATOM 615 CD GLU A 42 5.992 4.571 -10.239 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.852 4.207 -9.055 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.038 4.497 -11.046 1.00 0.00 O ATOM 0 H GLU A 42 6.463 7.738 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 42 8.561 5.640 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.974 7.087 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.646 6.710 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.413 4.898 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.124 4.287 -10.342 1.00 0.00 H new ATOM 624 N ILE A 43 10.451 7.377 -8.548 1.00 0.00 N ATOM 625 CA ILE A 43 11.566 8.317 -8.605 1.00 0.00 C ATOM 626 C ILE A 43 12.470 7.979 -9.793 1.00 0.00 C ATOM 627 O ILE A 43 12.532 6.828 -10.240 1.00 0.00 O ATOM 628 CB ILE A 43 12.346 8.361 -7.272 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.974 7.007 -6.890 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.431 8.898 -6.161 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.883 7.062 -5.655 1.00 0.00 C ATOM 0 H ILE A 43 10.744 6.417 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 43 11.168 9.321 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 43 13.189 9.039 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.176 6.287 -6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.552 6.635 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.981 8.929 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.096 9.903 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.566 8.244 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.284 6.069 -5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.704 7.755 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.307 7.401 -4.794 1.00 0.00 H new ATOM 643 N VAL A 44 13.189 8.992 -10.275 1.00 0.00 N ATOM 644 CA VAL A 44 14.018 8.942 -11.472 1.00 0.00 C ATOM 645 C VAL A 44 15.446 9.224 -11.013 1.00 0.00 C ATOM 646 O VAL A 44 15.693 10.273 -10.405 1.00 0.00 O ATOM 647 CB VAL A 44 13.513 10.013 -12.465 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.364 10.096 -13.738 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.053 9.782 -12.888 1.00 0.00 C ATOM 0 H VAL A 44 13.209 9.906 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 44 13.976 7.978 -11.979 1.00 0.00 H new ATOM 0 HB VAL A 44 13.594 10.951 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.960 10.865 -14.396 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.391 10.347 -13.473 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.347 9.134 -14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.749 10.562 -13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.964 8.809 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.410 9.811 -12.008 1.00 0.00 H new ATOM 659 N ARG A 45 16.379 8.306 -11.286 1.00 0.00 N ATOM 660 CA ARG A 45 17.794 8.448 -10.942 1.00 0.00 C ATOM 661 C ARG A 45 18.615 7.984 -12.136 1.00 0.00 C ATOM 662 O ARG A 45 18.200 7.075 -12.856 1.00 0.00 O ATOM 663 CB ARG A 45 18.151 7.600 -9.702 1.00 0.00 C ATOM 664 CG ARG A 45 17.463 8.031 -8.397 1.00 0.00 C ATOM 665 CD ARG A 45 17.844 9.436 -7.912 1.00 0.00 C ATOM 666 NE ARG A 45 16.642 10.269 -7.794 1.00 0.00 N ATOM 667 CZ ARG A 45 15.972 10.572 -6.681 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.483 10.340 -5.476 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.761 11.096 -6.798 1.00 0.00 N ATOM 0 H ARG A 45 16.166 7.429 -11.761 1.00 0.00 H new ATOM 0 HA ARG A 45 18.009 9.490 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.892 6.561 -9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.230 7.637 -9.555 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.383 7.990 -8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.709 7.311 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.349 9.373 -6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.546 9.893 -8.610 1.00 0.00 H new ATOM 0 HE ARG A 45 16.277 10.661 -8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.409 9.921 -5.387 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.950 10.581 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.363 11.258 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.227 11.337 -5.963 1.00 0.00 H new ATOM 683 N GLY A 46 19.784 8.579 -12.338 1.00 0.00 N ATOM 684 CA GLY A 46 20.651 8.278 -13.462 1.00 0.00 C ATOM 685 C GLY A 46 21.856 9.189 -13.387 1.00 0.00 C ATOM 686 O GLY A 46 21.699 10.407 -13.286 1.00 0.00 O ATOM 0 H GLY A 46 20.159 9.294 -11.715 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.962 7.234 -13.433 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.120 8.427 -14.402 1.00 0.00 H new ATOM 690 N TYR A 47 23.049 8.600 -13.398 1.00 0.00 N ATOM 691 CA TYR A 47 24.275 9.339 -13.159 1.00 0.00 C ATOM 692 C TYR A 47 25.397 8.734 -13.983 1.00 0.00 C ATOM 693 O TYR A 47 25.426 7.520 -14.197 1.00 0.00 O ATOM 694 CB TYR A 47 24.662 9.289 -11.676 1.00 0.00 C ATOM 695 CG TYR A 47 23.583 9.696 -10.692 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.451 11.036 -10.278 1.00 0.00 C ATOM 697 CD2 TYR A 47 22.754 8.707 -10.135 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.524 11.376 -9.277 1.00 0.00 C ATOM 699 CE2 TYR A 47 21.833 9.034 -9.127 1.00 0.00 C ATOM 700 CZ TYR A 47 21.727 10.370 -8.678 1.00 0.00 C ATOM 701 OH TYR A 47 20.895 10.655 -7.642 1.00 0.00 O ATOM 0 H TYR A 47 23.188 7.605 -13.572 1.00 0.00 H new ATOM 0 HA TYR A 47 24.113 10.378 -13.446 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.978 8.273 -11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.526 9.936 -11.525 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.062 11.803 -10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.826 7.688 -10.485 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.420 12.405 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.207 8.267 -8.696 1.00 0.00 H new ATOM 0 HH TYR A 47 21.019 11.588 -7.370 1.00 0.00 H new ATOM 711 N LYS A 48 26.369 9.565 -14.360 1.00 0.00 N ATOM 712 CA LYS A 48 27.567 9.135 -15.075 1.00 0.00 C ATOM 713 C LYS A 48 28.323 8.003 -14.371 1.00 0.00 C ATOM 714 O LYS A 48 28.930 7.176 -15.051 1.00 0.00 O ATOM 715 CB LYS A 48 28.462 10.351 -15.372 1.00 0.00 C ATOM 716 CG LYS A 48 29.013 11.061 -14.121 1.00 0.00 C ATOM 717 CD LYS A 48 29.694 12.383 -14.509 1.00 0.00 C ATOM 718 CE LYS A 48 30.389 13.084 -13.330 1.00 0.00 C ATOM 719 NZ LYS A 48 29.458 13.451 -12.234 1.00 0.00 N ATOM 0 H LYS A 48 26.345 10.568 -14.174 1.00 0.00 H new ATOM 0 HA LYS A 48 27.248 8.701 -16.023 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.300 10.027 -15.989 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.892 11.070 -15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.202 11.255 -13.419 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.727 10.413 -13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.429 12.188 -15.290 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.949 13.056 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.166 12.430 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.885 13.984 -13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.987 13.919 -11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.731 14.099 -12.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.003 12.593 -11.863 1.00 0.00 H new ATOM 733 N TRP A 49 28.289 7.937 -13.033 1.00 0.00 N ATOM 734 CA TRP A 49 28.978 6.885 -12.292 1.00 0.00 C ATOM 735 C TRP A 49 28.266 5.526 -12.379 1.00 0.00 C ATOM 736 O TRP A 49 28.933 4.501 -12.229 1.00 0.00 O ATOM 737 CB TRP A 49 29.247 7.322 -10.841 1.00 0.00 C ATOM 738 CG TRP A 49 28.135 7.967 -10.060 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.079 9.276 -9.722 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.949 7.364 -9.455 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.957 9.521 -8.957 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.219 8.374 -8.757 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.411 6.062 -9.417 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.020 8.105 -8.077 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.183 5.792 -8.788 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.479 6.810 -8.126 1.00 0.00 C ATOM 0 H TRP A 49 27.789 8.604 -12.445 1.00 0.00 H new ATOM 0 HA TRP A 49 29.944 6.732 -12.773 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.572 6.442 -10.286 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.086 8.018 -10.856 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.807 10.021 -10.009 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.705 10.437 -8.586 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.955 5.253 -9.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.520 8.885 -7.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.777 4.791 -8.814 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.529 6.599 -7.658 1.00 0.00 H new ATOM 757 N ALA A 50 26.950 5.474 -12.633 1.00 0.00 N ATOM 758 CA ALA A 50 26.231 4.215 -12.777 1.00 0.00 C ATOM 759 C ALA A 50 26.361 3.719 -14.216 1.00 0.00 C ATOM 760 O ALA A 50 25.483 3.932 -15.054 1.00 0.00 O ATOM 761 CB ALA A 50 24.774 4.343 -12.346 1.00 0.00 C ATOM 0 H ALA A 50 26.364 6.302 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 50 26.678 3.476 -12.112 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.273 3.383 -12.469 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.729 4.645 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.277 5.093 -12.961 1.00 0.00 H new ATOM 767 N GLU A 51 27.473 3.043 -14.502 1.00 0.00 N ATOM 768 CA GLU A 51 27.735 2.427 -15.803 1.00 0.00 C ATOM 769 C GLU A 51 26.791 1.243 -16.090 1.00 0.00 C ATOM 770 O GLU A 51 26.811 0.698 -17.195 1.00 0.00 O ATOM 771 CB GLU A 51 29.209 1.995 -15.884 1.00 0.00 C ATOM 772 CG GLU A 51 30.166 3.189 -15.745 1.00 0.00 C ATOM 773 CD GLU A 51 31.627 2.772 -15.991 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.328 2.382 -15.029 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.101 2.848 -17.149 1.00 0.00 O ATOM 0 H GLU A 51 28.227 2.906 -13.829 1.00 0.00 H new ATOM 0 HA GLU A 51 27.537 3.172 -16.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.418 1.269 -15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.389 1.495 -16.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.884 3.967 -16.454 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.072 3.618 -14.747 1.00 0.00 H new ATOM 782 N TYR A 52 25.961 0.832 -15.123 1.00 0.00 N ATOM 783 CA TYR A 52 24.968 -0.226 -15.251 1.00 0.00 C ATOM 784 C TYR A 52 23.770 0.134 -14.369 1.00 0.00 C ATOM 785 O TYR A 52 23.940 0.684 -13.278 1.00 0.00 O ATOM 786 CB TYR A 52 25.548 -1.610 -14.895 1.00 0.00 C ATOM 787 CG TYR A 52 26.617 -1.644 -13.817 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.929 -1.258 -14.142 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.317 -2.078 -12.514 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.939 -1.273 -13.164 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.322 -2.114 -11.530 1.00 0.00 C ATOM 792 CZ TYR A 52 28.639 -1.704 -11.850 1.00 0.00 C ATOM 793 OH TYR A 52 29.625 -1.722 -10.908 1.00 0.00 O ATOM 0 H TYR A 52 25.969 1.250 -14.193 1.00 0.00 H new ATOM 0 HA TYR A 52 24.649 -0.301 -16.290 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.726 -2.253 -14.580 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.965 -2.048 -15.802 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.163 -0.948 -15.150 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.311 -2.385 -12.267 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.941 -0.957 -13.415 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.089 -2.454 -10.532 1.00 0.00 H new ATOM 0 HH TYR A 52 29.259 -2.042 -10.057 1.00 0.00 H new ATOM 803 N HIS A 53 22.559 -0.193 -14.830 1.00 0.00 N ATOM 804 CA HIS A 53 21.300 0.173 -14.169 1.00 0.00 C ATOM 805 C HIS A 53 21.194 -0.447 -12.770 1.00 0.00 C ATOM 806 O HIS A 53 20.601 0.145 -11.868 1.00 0.00 O ATOM 807 CB HIS A 53 20.098 -0.273 -15.024 1.00 0.00 C ATOM 808 CG HIS A 53 20.238 0.011 -16.500 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.871 1.159 -17.168 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.788 -0.838 -17.425 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.220 1.005 -18.459 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.793 -0.195 -18.666 1.00 0.00 N ATOM 0 H HIS A 53 22.422 -0.728 -15.687 1.00 0.00 H new ATOM 0 HA HIS A 53 21.290 1.258 -14.062 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.948 -1.344 -14.886 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.201 0.225 -14.655 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.418 1.976 -16.759 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.155 -1.834 -17.228 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.061 1.747 -19.228 1.00 0.00 H new ATOM 820 N ALA A 54 21.787 -1.631 -12.574 1.00 0.00 N ATOM 821 CA ALA A 54 21.801 -2.288 -11.276 1.00 0.00 C ATOM 822 C ALA A 54 22.550 -1.460 -10.228 1.00 0.00 C ATOM 823 O ALA A 54 22.223 -1.563 -9.047 1.00 0.00 O ATOM 824 CB ALA A 54 22.402 -3.692 -11.403 1.00 0.00 C ATOM 0 H ALA A 54 22.265 -2.151 -13.309 1.00 0.00 H new ATOM 0 HA ALA A 54 20.771 -2.378 -10.932 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.408 -4.175 -10.426 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.803 -4.283 -12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.423 -3.618 -11.777 1.00 0.00 H new ATOM 830 N ASP A 55 23.521 -0.629 -10.635 1.00 0.00 N ATOM 831 CA ASP A 55 24.285 0.184 -9.690 1.00 0.00 C ATOM 832 C ASP A 55 23.375 1.208 -9.019 1.00 0.00 C ATOM 833 O ASP A 55 23.363 1.325 -7.794 1.00 0.00 O ATOM 834 CB ASP A 55 25.436 0.926 -10.382 1.00 0.00 C ATOM 835 CG ASP A 55 26.434 1.443 -9.335 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.106 0.618 -8.675 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.567 2.675 -9.188 1.00 0.00 O ATOM 0 H ASP A 55 23.792 -0.506 -11.611 1.00 0.00 H new ATOM 0 HA ASP A 55 24.703 -0.494 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.942 0.259 -11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.044 1.759 -10.965 1.00 0.00 H new ATOM 842 N ILE A 56 22.570 1.913 -9.825 1.00 0.00 N ATOM 843 CA ILE A 56 21.617 2.892 -9.321 1.00 0.00 C ATOM 844 C ILE A 56 20.477 2.194 -8.591 1.00 0.00 C ATOM 845 O ILE A 56 20.097 2.696 -7.538 1.00 0.00 O ATOM 846 CB ILE A 56 21.084 3.885 -10.391 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.172 3.395 -11.858 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.728 5.259 -10.157 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.950 4.462 -12.931 1.00 0.00 C ATOM 0 H ILE A 56 22.566 1.816 -10.840 1.00 0.00 H new ATOM 0 HA ILE A 56 22.170 3.514 -8.618 1.00 0.00 H new ATOM 0 HB ILE A 56 20.006 3.964 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.154 2.949 -12.014 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.436 2.604 -12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.361 5.964 -10.903 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.469 5.617 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.811 5.172 -10.242 1.00 0.00 H new ATOM 0 HD11 ILE A 56 21.034 4.008 -13.918 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.956 4.894 -12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.701 5.245 -12.826 1.00 0.00 H new ATOM 861 N TYR A 57 19.948 1.058 -9.068 1.00 0.00 N ATOM 862 CA TYR A 57 18.892 0.390 -8.307 1.00 0.00 C ATOM 863 C TYR A 57 19.409 0.030 -6.911 1.00 0.00 C ATOM 864 O TYR A 57 18.750 0.360 -5.928 1.00 0.00 O ATOM 865 CB TYR A 57 18.332 -0.856 -9.002 1.00 0.00 C ATOM 866 CG TYR A 57 17.326 -1.585 -8.116 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.204 -0.900 -7.597 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.563 -2.917 -7.726 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.333 -1.533 -6.692 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.689 -3.562 -6.832 1.00 0.00 C ATOM 871 CZ TYR A 57 15.574 -2.872 -6.303 1.00 0.00 C ATOM 872 OH TYR A 57 14.750 -3.510 -5.422 1.00 0.00 O ATOM 0 H TYR A 57 20.221 0.601 -9.938 1.00 0.00 H new ATOM 0 HA TYR A 57 18.064 1.095 -8.233 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.853 -0.568 -9.938 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.150 -1.530 -9.257 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.014 0.119 -7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.420 -3.446 -8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.483 -0.999 -6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.870 -4.588 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 57 13.992 -2.929 -5.203 1.00 0.00 H new ATOM 882 N ASP A 58 20.588 -0.589 -6.799 1.00 0.00 N ATOM 883 CA ASP A 58 21.130 -1.010 -5.508 1.00 0.00 C ATOM 884 C ASP A 58 21.400 0.187 -4.595 1.00 0.00 C ATOM 885 O ASP A 58 20.987 0.187 -3.434 1.00 0.00 O ATOM 886 CB ASP A 58 22.417 -1.818 -5.702 1.00 0.00 C ATOM 887 CG ASP A 58 23.018 -2.208 -4.341 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.507 -3.152 -3.700 1.00 0.00 O ATOM 889 OD2 ASP A 58 24.019 -1.590 -3.917 1.00 0.00 O ATOM 0 H ASP A 58 21.187 -0.810 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 58 20.381 -1.640 -5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.206 -2.715 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.139 -1.232 -6.271 1.00 0.00 H new ATOM 894 N LYS A 59 22.050 1.232 -5.120 1.00 0.00 N ATOM 895 CA LYS A 59 22.361 2.439 -4.358 1.00 0.00 C ATOM 896 C LYS A 59 21.084 3.112 -3.866 1.00 0.00 C ATOM 897 O LYS A 59 20.966 3.433 -2.682 1.00 0.00 O ATOM 898 CB LYS A 59 23.214 3.366 -5.236 1.00 0.00 C ATOM 899 CG LYS A 59 23.486 4.740 -4.600 1.00 0.00 C ATOM 900 CD LYS A 59 24.885 5.227 -4.988 1.00 0.00 C ATOM 901 CE LYS A 59 25.097 6.690 -4.577 1.00 0.00 C ATOM 902 NZ LYS A 59 26.414 7.207 -5.024 1.00 0.00 N ATOM 0 H LYS A 59 22.374 1.261 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 59 22.934 2.186 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.166 2.878 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.711 3.511 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.736 5.459 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.403 4.671 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.637 4.600 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.023 5.125 -6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.303 7.305 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.022 6.777 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.714 7.981 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.117 6.441 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.335 7.562 -5.998 1.00 0.00 H new ATOM 916 N VAL A 60 20.128 3.327 -4.764 1.00 0.00 N ATOM 917 CA VAL A 60 18.951 4.123 -4.469 1.00 0.00 C ATOM 918 C VAL A 60 18.014 3.324 -3.572 1.00 0.00 C ATOM 919 O VAL A 60 17.549 3.876 -2.578 1.00 0.00 O ATOM 920 CB VAL A 60 18.299 4.616 -5.768 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.048 5.448 -5.445 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.290 5.483 -6.575 1.00 0.00 C ATOM 0 H VAL A 60 20.151 2.954 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 60 19.225 5.022 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 60 18.018 3.746 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.592 5.794 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.334 4.834 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.330 6.308 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.811 5.824 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.588 6.346 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.172 4.892 -6.824 1.00 0.00 H new ATOM 932 N SER A 61 17.765 2.039 -3.848 1.00 0.00 N ATOM 933 CA SER A 61 16.944 1.231 -2.951 1.00 0.00 C ATOM 934 C SER A 61 17.603 1.127 -1.573 1.00 0.00 C ATOM 935 O SER A 61 16.883 1.044 -0.579 1.00 0.00 O ATOM 936 CB SER A 61 16.625 -0.144 -3.551 1.00 0.00 C ATOM 937 OG SER A 61 17.786 -0.891 -3.835 1.00 0.00 O ATOM 0 H SER A 61 18.114 1.547 -4.670 1.00 0.00 H new ATOM 0 HA SER A 61 15.985 1.733 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 15.998 -0.703 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.048 -0.012 -4.467 1.00 0.00 H new ATOM 0 HG SER A 61 18.141 -0.624 -4.709 1.00 0.00 H new ATOM 943 N GLY A 62 18.936 1.166 -1.484 1.00 0.00 N ATOM 944 CA GLY A 62 19.655 1.234 -0.223 1.00 0.00 C ATOM 945 C GLY A 62 19.286 2.498 0.550 1.00 0.00 C ATOM 946 O GLY A 62 18.874 2.403 1.705 1.00 0.00 O ATOM 0 H GLY A 62 19.547 1.151 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.424 0.355 0.379 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.729 1.219 -0.411 1.00 0.00 H new ATOM 950 N ASP A 63 19.375 3.676 -0.078 1.00 0.00 N ATOM 951 CA ASP A 63 19.021 4.933 0.582 1.00 0.00 C ATOM 952 C ASP A 63 17.538 4.968 0.942 1.00 0.00 C ATOM 953 O ASP A 63 17.200 5.291 2.077 1.00 0.00 O ATOM 954 CB ASP A 63 19.364 6.158 -0.272 1.00 0.00 C ATOM 955 CG ASP A 63 19.012 7.443 0.500 1.00 0.00 C ATOM 956 OD1 ASP A 63 19.863 7.910 1.291 1.00 0.00 O ATOM 957 OD2 ASP A 63 17.896 7.981 0.331 1.00 0.00 O ATOM 0 H ASP A 63 19.689 3.783 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 63 19.617 4.976 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.424 6.152 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.813 6.124 -1.212 1.00 0.00 H new ATOM 962 N MET A 64 16.648 4.575 0.027 1.00 0.00 N ATOM 963 CA MET A 64 15.222 4.513 0.327 1.00 0.00 C ATOM 964 C MET A 64 14.947 3.593 1.521 1.00 0.00 C ATOM 965 O MET A 64 14.206 3.975 2.424 1.00 0.00 O ATOM 966 CB MET A 64 14.447 4.036 -0.905 1.00 0.00 C ATOM 967 CG MET A 64 14.483 4.966 -2.124 1.00 0.00 C ATOM 968 SD MET A 64 13.645 6.556 -1.895 1.00 0.00 S ATOM 969 CE MET A 64 15.077 7.589 -1.503 1.00 0.00 C ATOM 0 H MET A 64 16.892 4.297 -0.923 1.00 0.00 H new ATOM 0 HA MET A 64 14.885 5.515 0.593 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.840 3.064 -1.203 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.406 3.885 -0.619 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.524 5.155 -2.388 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.028 4.450 -2.970 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.738 8.565 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.667 7.112 -0.720 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.691 7.713 -2.395 1.00 0.00 H new ATOM 979 N GLN A 65 15.555 2.406 1.586 1.00 0.00 N ATOM 980 CA GLN A 65 15.380 1.489 2.706 1.00 0.00 C ATOM 981 C GLN A 65 15.993 2.043 3.997 1.00 0.00 C ATOM 982 O GLN A 65 15.456 1.787 5.072 1.00 0.00 O ATOM 983 CB GLN A 65 16.007 0.132 2.364 1.00 0.00 C ATOM 984 CG GLN A 65 15.117 -0.728 1.455 1.00 0.00 C ATOM 985 CD GLN A 65 15.859 -1.964 0.949 1.00 0.00 C ATOM 986 OE1 GLN A 65 15.617 -3.088 1.386 1.00 0.00 O ATOM 987 NE2 GLN A 65 16.785 -1.780 0.024 1.00 0.00 N ATOM 0 H GLN A 65 16.182 2.057 0.861 1.00 0.00 H new ATOM 0 HA GLN A 65 14.310 1.368 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 65 16.967 0.295 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.208 -0.412 3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.226 -1.036 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.779 -0.133 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.974 -0.842 -0.329 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.310 -2.576 -0.337 1.00 0.00 H new ATOM 996 N LYS A 66 17.076 2.823 3.920 1.00 0.00 N ATOM 997 CA LYS A 66 17.626 3.546 5.061 1.00 0.00 C ATOM 998 C LYS A 66 16.620 4.581 5.573 1.00 0.00 C ATOM 999 O LYS A 66 16.464 4.706 6.788 1.00 0.00 O ATOM 1000 CB LYS A 66 18.976 4.134 4.626 1.00 0.00 C ATOM 1001 CG LYS A 66 19.655 5.043 5.654 1.00 0.00 C ATOM 1002 CD LYS A 66 21.065 5.427 5.175 1.00 0.00 C ATOM 1003 CE LYS A 66 21.117 6.234 3.867 1.00 0.00 C ATOM 1004 NZ LYS A 66 20.465 7.563 3.956 1.00 0.00 N ATOM 0 H LYS A 66 17.597 2.969 3.055 1.00 0.00 H new ATOM 0 HA LYS A 66 17.806 2.890 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.652 3.313 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.828 4.700 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.057 5.942 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.716 4.534 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.552 6.006 5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.647 4.515 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.159 6.370 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.638 5.657 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.265 7.916 2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.575 7.478 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.097 8.228 4.445 1.00 0.00 H new ATOM 1018 N GLN A 67 15.899 5.285 4.690 1.00 0.00 N ATOM 1019 CA GLN A 67 14.772 6.128 5.101 1.00 0.00 C ATOM 1020 C GLN A 67 13.641 5.267 5.677 1.00 0.00 C ATOM 1021 O GLN A 67 12.978 5.692 6.619 1.00 0.00 O ATOM 1022 CB GLN A 67 14.277 7.020 3.945 1.00 0.00 C ATOM 1023 CG GLN A 67 15.387 7.929 3.385 1.00 0.00 C ATOM 1024 CD GLN A 67 14.878 9.009 2.426 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.866 9.661 2.672 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.574 9.255 1.327 1.00 0.00 N ATOM 0 H GLN A 67 16.078 5.286 3.686 1.00 0.00 H new ATOM 0 HA GLN A 67 15.120 6.798 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.889 6.390 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.449 7.636 4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.904 8.409 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.121 7.312 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.414 8.713 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.270 9.986 0.684 1.00 0.00 H new ATOM 1035 N GLY A 68 13.447 4.053 5.160 1.00 0.00 N ATOM 1036 CA GLY A 68 12.571 3.009 5.697 1.00 0.00 C ATOM 1037 C GLY A 68 11.741 2.302 4.618 1.00 0.00 C ATOM 1038 O GLY A 68 11.081 1.304 4.905 1.00 0.00 O ATOM 0 H GLY A 68 13.923 3.755 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.177 2.270 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.898 3.451 6.432 1.00 0.00 H new ATOM 1042 N CYS A 69 11.752 2.834 3.394 1.00 0.00 N ATOM 1043 CA CYS A 69 10.885 2.452 2.289 1.00 0.00 C ATOM 1044 C CYS A 69 11.144 1.019 1.808 1.00 0.00 C ATOM 1045 O CYS A 69 12.128 0.384 2.185 1.00 0.00 O ATOM 1046 CB CYS A 69 11.142 3.427 1.137 1.00 0.00 C ATOM 1047 SG CYS A 69 10.886 5.145 1.665 1.00 0.00 S ATOM 0 H CYS A 69 12.400 3.580 3.139 1.00 0.00 H new ATOM 0 HA CYS A 69 9.850 2.491 2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.162 3.303 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.476 3.196 0.305 1.00 0.00 H new ATOM 0 HG CYS A 69 11.314 5.952 0.740 1.00 0.00 H new ATOM 1053 N ASP A 70 10.302 0.553 0.889 1.00 0.00 N ATOM 1054 CA ASP A 70 10.486 -0.683 0.132 1.00 0.00 C ATOM 1055 C ASP A 70 10.321 -0.272 -1.326 1.00 0.00 C ATOM 1056 O ASP A 70 9.423 0.524 -1.625 1.00 0.00 O ATOM 1057 CB ASP A 70 9.469 -1.749 0.548 1.00 0.00 C ATOM 1058 CG ASP A 70 9.617 -3.019 -0.308 1.00 0.00 C ATOM 1059 OD1 ASP A 70 10.750 -3.534 -0.442 1.00 0.00 O ATOM 1060 OD2 ASP A 70 8.598 -3.525 -0.826 1.00 0.00 O ATOM 0 H ASP A 70 9.442 1.043 0.642 1.00 0.00 H new ATOM 0 HA ASP A 70 11.460 -1.138 0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.608 -1.998 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.459 -1.353 0.445 1.00 0.00 H new ATOM 1065 N CYS A 71 11.202 -0.740 -2.215 1.00 0.00 N ATOM 1066 CA CYS A 71 11.293 -0.234 -3.581 1.00 0.00 C ATOM 1067 C CYS A 71 11.591 -1.331 -4.598 1.00 0.00 C ATOM 1068 O CYS A 71 12.084 -2.403 -4.239 1.00 0.00 O ATOM 1069 CB CYS A 71 12.431 0.796 -3.661 1.00 0.00 C ATOM 1070 SG CYS A 71 12.229 2.125 -2.449 1.00 0.00 S ATOM 0 H CYS A 71 11.871 -1.481 -2.004 1.00 0.00 H new ATOM 0 HA CYS A 71 10.325 0.205 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.385 0.296 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.465 1.222 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 71 12.822 1.795 -1.340 1.00 0.00 H new ATOM 1076 N GLU A 72 11.378 -1.029 -5.880 1.00 0.00 N ATOM 1077 CA GLU A 72 11.613 -1.939 -6.988 1.00 0.00 C ATOM 1078 C GLU A 72 11.917 -1.101 -8.229 1.00 0.00 C ATOM 1079 O GLU A 72 11.180 -0.160 -8.529 1.00 0.00 O ATOM 1080 CB GLU A 72 10.352 -2.799 -7.183 1.00 0.00 C ATOM 1081 CG GLU A 72 10.458 -3.692 -8.422 1.00 0.00 C ATOM 1082 CD GLU A 72 9.326 -4.734 -8.475 1.00 0.00 C ATOM 1083 OE1 GLU A 72 8.221 -4.421 -8.973 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.536 -5.887 -8.033 1.00 0.00 O ATOM 0 H GLU A 72 11.028 -0.118 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 72 12.456 -2.603 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.195 -3.419 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.481 -2.151 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.425 -3.074 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.421 -4.202 -8.421 1.00 0.00 H new ATOM 1091 N CYS A 73 12.997 -1.419 -8.945 1.00 0.00 N ATOM 1092 CA CYS A 73 13.282 -0.858 -10.258 1.00 0.00 C ATOM 1093 C CYS A 73 12.191 -1.374 -11.209 1.00 0.00 C ATOM 1094 O CYS A 73 12.160 -2.566 -11.526 1.00 0.00 O ATOM 1095 CB CYS A 73 14.692 -1.262 -10.725 1.00 0.00 C ATOM 1096 SG CYS A 73 15.024 -3.015 -10.364 1.00 0.00 S ATOM 0 H CYS A 73 13.703 -2.081 -8.622 1.00 0.00 H new ATOM 0 HA CYS A 73 13.271 0.232 -10.235 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.789 -1.083 -11.796 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.436 -0.638 -10.229 1.00 0.00 H new ATOM 0 HG CYS A 73 15.864 -3.486 -11.237 1.00 0.00 H new ATOM 1102 N LEU A 74 11.280 -0.503 -11.648 1.00 0.00 N ATOM 1103 CA LEU A 74 10.237 -0.872 -12.602 1.00 0.00 C ATOM 1104 C LEU A 74 10.851 -1.204 -13.965 1.00 0.00 C ATOM 1105 O LEU A 74 10.294 -1.999 -14.721 1.00 0.00 O ATOM 1106 CB LEU A 74 9.220 0.271 -12.758 1.00 0.00 C ATOM 1107 CG LEU A 74 8.403 0.600 -11.493 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.374 1.679 -11.839 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.676 -0.619 -10.911 1.00 0.00 C ATOM 0 H LEU A 74 11.246 0.473 -11.353 1.00 0.00 H new ATOM 0 HA LEU A 74 9.724 -1.754 -12.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.752 1.169 -13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.529 0.014 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 74 9.104 0.945 -10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.789 1.921 -10.952 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.889 2.574 -12.190 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.711 1.312 -12.622 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.119 -0.321 -10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.986 -1.020 -11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.405 -1.384 -10.643 1.00 0.00 H new ATOM 1121 N GLY A 75 11.998 -0.599 -14.271 1.00 0.00 N ATOM 1122 CA GLY A 75 12.775 -0.811 -15.474 1.00 0.00 C ATOM 1123 C GLY A 75 13.875 0.241 -15.508 1.00 0.00 C ATOM 1124 O GLY A 75 14.077 0.972 -14.531 1.00 0.00 O ATOM 0 H GLY A 75 12.426 0.087 -13.649 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.204 -1.813 -15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.141 -0.730 -16.357 1.00 0.00 H new ATOM 1128 N GLY A 76 14.547 0.372 -16.643 1.00 0.00 N ATOM 1129 CA GLY A 76 15.471 1.467 -16.881 1.00 0.00 C ATOM 1130 C GLY A 76 15.650 1.679 -18.374 1.00 0.00 C ATOM 1131 O GLY A 76 14.914 1.106 -19.183 1.00 0.00 O ATOM 0 H GLY A 76 14.466 -0.279 -17.424 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.094 2.379 -16.418 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.433 1.249 -16.418 1.00 0.00 H new ATOM 1135 N GLY A 77 16.635 2.497 -18.726 1.00 0.00 N ATOM 1136 CA GLY A 77 16.903 2.908 -20.092 1.00 0.00 C ATOM 1137 C GLY A 77 18.132 3.798 -20.107 1.00 0.00 C ATOM 1138 O GLY A 77 18.903 3.828 -19.139 1.00 0.00 O ATOM 0 H GLY A 77 17.283 2.901 -18.050 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.063 2.034 -20.724 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.045 3.443 -20.499 1.00 0.00 H new ATOM 1142 N ARG A 78 18.321 4.542 -21.190 1.00 0.00 N ATOM 1143 CA ARG A 78 19.498 5.368 -21.402 1.00 0.00 C ATOM 1144 C ARG A 78 19.040 6.773 -21.769 1.00 0.00 C ATOM 1145 O ARG A 78 17.929 6.962 -22.272 1.00 0.00 O ATOM 1146 CB ARG A 78 20.379 4.674 -22.456 1.00 0.00 C ATOM 1147 CG ARG A 78 21.808 5.229 -22.527 1.00 0.00 C ATOM 1148 CD ARG A 78 22.725 4.354 -23.391 1.00 0.00 C ATOM 1149 NE ARG A 78 22.283 4.303 -24.797 1.00 0.00 N ATOM 1150 CZ ARG A 78 21.805 3.233 -25.448 1.00 0.00 C ATOM 1151 NH1 ARG A 78 21.665 2.052 -24.854 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.459 3.356 -26.718 1.00 0.00 N ATOM 0 H ARG A 78 17.649 4.587 -21.956 1.00 0.00 H new ATOM 0 HA ARG A 78 20.114 5.478 -20.509 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.423 3.608 -22.235 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.909 4.777 -23.434 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.784 6.240 -22.934 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.219 5.300 -21.520 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.743 4.742 -23.346 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.750 3.344 -22.983 1.00 0.00 H new ATOM 0 HE ARG A 78 22.348 5.171 -25.329 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.925 1.940 -23.874 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.298 1.258 -25.378 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.557 4.256 -27.189 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.094 2.551 -27.227 1.00 0.00 H new ATOM 1166 N ILE A 79 19.881 7.759 -21.478 1.00 0.00 N ATOM 1167 CA ILE A 79 19.583 9.172 -21.595 1.00 0.00 C ATOM 1168 C ILE A 79 20.719 9.784 -22.404 1.00 0.00 C ATOM 1169 O ILE A 79 21.889 9.446 -22.197 1.00 0.00 O ATOM 1170 CB ILE A 79 19.420 9.809 -20.190 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.190 9.185 -19.490 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.292 11.347 -20.279 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.756 9.851 -18.176 1.00 0.00 C ATOM 0 H ILE A 79 20.827 7.583 -21.140 1.00 0.00 H new ATOM 0 HA ILE A 79 18.637 9.354 -22.104 1.00 0.00 H new ATOM 0 HB ILE A 79 20.313 9.600 -19.600 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.349 9.212 -20.183 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.404 8.135 -19.289 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.179 11.761 -19.277 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.187 11.760 -20.744 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.419 11.605 -20.879 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.886 9.331 -17.775 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.573 9.801 -17.456 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.501 10.894 -18.364 1.00 0.00 H new ATOM 1185 N SER A 80 20.368 10.710 -23.290 1.00 0.00 N ATOM 1186 CA SER A 80 21.292 11.365 -24.196 1.00 0.00 C ATOM 1187 C SER A 80 21.136 12.874 -24.037 1.00 0.00 C ATOM 1188 O SER A 80 20.014 13.376 -23.937 1.00 0.00 O ATOM 1189 CB SER A 80 20.995 10.916 -25.633 1.00 0.00 C ATOM 1190 OG SER A 80 21.041 9.503 -25.741 1.00 0.00 O ATOM 0 H SER A 80 19.406 11.031 -23.397 1.00 0.00 H new ATOM 0 HA SER A 80 22.323 11.094 -23.967 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.011 11.276 -25.935 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.720 11.361 -26.315 1.00 0.00 H new ATOM 0 HG SER A 80 20.847 9.239 -26.665 1.00 0.00 H new ATOM 1333 N HIS A 89 17.034 13.391 -24.119 1.00 0.00 N ATOM 1334 CA HIS A 89 16.123 12.393 -24.651 1.00 0.00 C ATOM 1335 C HIS A 89 16.299 11.110 -23.841 1.00 0.00 C ATOM 1336 O HIS A 89 17.397 10.861 -23.342 1.00 0.00 O ATOM 1337 CB HIS A 89 16.431 12.177 -26.137 1.00 0.00 C ATOM 1338 CG HIS A 89 15.336 11.446 -26.865 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.152 11.997 -27.292 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.337 10.133 -27.253 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.457 11.045 -27.934 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.136 9.884 -27.931 1.00 0.00 N ATOM 0 HA HIS A 89 15.085 12.716 -24.571 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.593 13.144 -26.613 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.360 11.615 -26.232 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.124 9.416 -27.069 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.488 11.191 -28.389 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.837 8.999 -28.340 1.00 0.00 H new ATOM 1350 N VAL A 90 15.248 10.296 -23.730 1.00 0.00 N ATOM 1351 CA VAL A 90 15.216 9.071 -22.934 1.00 0.00 C ATOM 1352 C VAL A 90 14.717 7.955 -23.859 1.00 0.00 C ATOM 1353 O VAL A 90 13.683 8.109 -24.513 1.00 0.00 O ATOM 1354 CB VAL A 90 14.301 9.261 -21.699 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.405 8.056 -20.754 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.609 10.543 -20.903 1.00 0.00 C ATOM 0 H VAL A 90 14.366 10.479 -24.209 1.00 0.00 H new ATOM 0 HA VAL A 90 16.202 8.814 -22.547 1.00 0.00 H new ATOM 0 HB VAL A 90 13.289 9.350 -22.094 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.754 8.211 -19.894 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.100 7.152 -21.282 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.435 7.948 -20.415 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.932 10.614 -20.052 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.638 10.511 -20.546 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.475 11.412 -21.547 1.00 0.00 H new ATOM 1366 N TYR A 91 15.457 6.850 -23.961 1.00 0.00 N ATOM 1367 CA TYR A 91 15.178 5.775 -24.910 1.00 0.00 C ATOM 1368 C TYR A 91 15.850 4.473 -24.459 1.00 0.00 C ATOM 1369 O TYR A 91 16.497 4.435 -23.407 1.00 0.00 O ATOM 1370 CB TYR A 91 15.611 6.195 -26.333 1.00 0.00 C ATOM 1371 CG TYR A 91 17.092 6.139 -26.697 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.104 6.518 -25.789 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.457 5.739 -27.999 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.458 6.476 -26.165 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.807 5.712 -28.391 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.816 6.083 -27.474 1.00 0.00 C ATOM 1377 OH TYR A 91 21.132 6.053 -27.833 1.00 0.00 O ATOM 0 H TYR A 91 16.276 6.676 -23.379 1.00 0.00 H new ATOM 0 HA TYR A 91 14.104 5.588 -24.937 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.073 5.565 -27.041 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.270 7.218 -26.493 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.835 6.844 -24.795 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.691 5.450 -28.703 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.225 6.744 -25.453 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.073 5.408 -29.393 1.00 0.00 H new ATOM 0 HH TYR A 91 21.210 5.761 -28.765 1.00 0.00 H new ATOM 1387 N GLY A 92 15.728 3.408 -25.254 1.00 0.00 N ATOM 1388 CA GLY A 92 16.341 2.124 -24.950 1.00 0.00 C ATOM 1389 C GLY A 92 15.587 1.393 -23.840 1.00 0.00 C ATOM 1390 O GLY A 92 14.418 1.676 -23.565 1.00 0.00 O ATOM 0 H GLY A 92 15.200 3.417 -26.126 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.358 1.506 -25.848 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.377 2.277 -24.648 1.00 0.00 H new ATOM 1394 N TYR A 93 16.261 0.425 -23.222 1.00 0.00 N ATOM 1395 CA TYR A 93 15.743 -0.403 -22.141 1.00 0.00 C ATOM 1396 C TYR A 93 16.912 -0.823 -21.252 1.00 0.00 C ATOM 1397 O TYR A 93 18.054 -0.867 -21.718 1.00 0.00 O ATOM 1398 CB TYR A 93 15.024 -1.636 -22.718 1.00 0.00 C ATOM 1399 CG TYR A 93 15.799 -2.450 -23.743 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.633 -3.507 -23.332 1.00 0.00 C ATOM 1401 CD2 TYR A 93 15.656 -2.169 -25.116 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.335 -4.271 -24.282 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.345 -2.933 -26.072 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.194 -3.986 -25.661 1.00 0.00 C ATOM 1405 OH TYR A 93 17.857 -4.721 -26.599 1.00 0.00 O ATOM 0 H TYR A 93 17.221 0.189 -23.473 1.00 0.00 H new ATOM 0 HA TYR A 93 15.020 0.158 -21.549 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.756 -2.294 -21.891 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.093 -1.305 -23.177 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.735 -3.733 -22.281 1.00 0.00 H new ATOM 0 HD2 TYR A 93 15.013 -1.362 -25.435 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.981 -5.074 -23.959 1.00 0.00 H new ATOM 0 HE2 TYR A 93 16.226 -2.716 -27.123 1.00 0.00 H new ATOM 0 HH TYR A 93 17.639 -4.384 -27.493 1.00 0.00 H new ATOM 1415 N SER A 94 16.643 -1.142 -19.983 1.00 0.00 N ATOM 1416 CA SER A 94 17.657 -1.707 -19.111 1.00 0.00 C ATOM 1417 C SER A 94 17.968 -3.119 -19.587 1.00 0.00 C ATOM 1418 O SER A 94 17.058 -3.930 -19.773 1.00 0.00 O ATOM 1419 CB SER A 94 17.202 -1.680 -17.650 1.00 0.00 C ATOM 1420 OG SER A 94 18.079 -2.439 -16.835 1.00 0.00 O ATOM 0 H SER A 94 15.731 -1.016 -19.544 1.00 0.00 H new ATOM 0 HA SER A 94 18.567 -1.108 -19.158 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.168 -0.650 -17.294 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.190 -2.078 -17.572 1.00 0.00 H new ATOM 0 HG SER A 94 17.868 -2.280 -15.891 1.00 0.00 H new ATOM 1426 N MET A 95 19.256 -3.436 -19.720 1.00 0.00 N ATOM 1427 CA MET A 95 19.706 -4.801 -19.967 1.00 0.00 C ATOM 1428 C MET A 95 19.325 -5.724 -18.795 1.00 0.00 C ATOM 1429 O MET A 95 19.155 -6.927 -18.999 1.00 0.00 O ATOM 1430 CB MET A 95 21.223 -4.783 -20.220 1.00 0.00 C ATOM 1431 CG MET A 95 21.764 -6.139 -20.700 1.00 0.00 C ATOM 1432 SD MET A 95 23.537 -6.168 -21.100 1.00 0.00 S ATOM 1433 CE MET A 95 23.556 -5.199 -22.636 1.00 0.00 C ATOM 0 H MET A 95 20.013 -2.755 -19.659 1.00 0.00 H new ATOM 0 HA MET A 95 19.210 -5.203 -20.850 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.453 -4.021 -20.965 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.736 -4.497 -19.302 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.570 -6.883 -19.928 1.00 0.00 H new ATOM 0 HG3 MET A 95 21.204 -6.443 -21.584 1.00 0.00 H new ATOM 0 HE1 MET A 95 24.558 -5.216 -23.064 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.850 -5.630 -23.347 1.00 0.00 H new ATOM 0 HE3 MET A 95 23.271 -4.169 -22.420 1.00 0.00 H new ATOM 1443 N ALA A 96 19.175 -5.177 -17.580 1.00 0.00 N ATOM 1444 CA ALA A 96 18.919 -5.955 -16.374 1.00 0.00 C ATOM 1445 C ALA A 96 17.431 -6.007 -16.012 1.00 0.00 C ATOM 1446 O ALA A 96 16.990 -7.014 -15.453 1.00 0.00 O ATOM 1447 CB ALA A 96 19.709 -5.341 -15.210 1.00 0.00 C ATOM 0 H ALA A 96 19.230 -4.172 -17.413 1.00 0.00 H new ATOM 0 HA ALA A 96 19.239 -6.979 -16.565 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.525 -5.915 -14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.774 -5.361 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.390 -4.310 -15.058 1.00 0.00 H new ATOM 1453 N TYR A 97 16.655 -4.967 -16.347 1.00 0.00 N ATOM 1454 CA TYR A 97 15.283 -4.792 -15.856 1.00 0.00 C ATOM 1455 C TYR A 97 14.257 -4.476 -16.954 1.00 0.00 C ATOM 1456 O TYR A 97 13.078 -4.299 -16.643 1.00 0.00 O ATOM 1457 CB TYR A 97 15.274 -3.697 -14.769 1.00 0.00 C ATOM 1458 CG TYR A 97 16.304 -3.853 -13.660 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.416 -5.073 -12.964 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.144 -2.774 -13.313 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.374 -5.230 -11.948 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.097 -2.919 -12.289 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.218 -4.149 -11.603 1.00 0.00 C ATOM 1464 OH TYR A 97 19.141 -4.289 -10.610 1.00 0.00 O ATOM 0 H TYR A 97 16.964 -4.220 -16.969 1.00 0.00 H new ATOM 0 HA TYR A 97 14.969 -5.750 -15.441 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.431 -2.732 -15.251 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.283 -3.670 -14.317 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.760 -5.894 -13.213 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.055 -1.833 -13.836 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.466 -6.174 -11.432 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.737 -2.090 -12.026 1.00 0.00 H new ATOM 0 HH TYR A 97 19.927 -4.759 -10.958 1.00 0.00 H new ATOM 1474 N GLY A 98 14.663 -4.420 -18.226 1.00 0.00 N ATOM 1475 CA GLY A 98 13.764 -4.107 -19.332 1.00 0.00 C ATOM 1476 C GLY A 98 13.403 -2.618 -19.384 1.00 0.00 C ATOM 1477 O GLY A 98 13.959 -1.813 -18.625 1.00 0.00 O ATOM 0 H GLY A 98 15.626 -4.591 -18.514 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.233 -4.398 -20.272 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.852 -4.697 -19.234 1.00 0.00 H new ATOM 1481 N PRO A 99 12.524 -2.214 -20.317 1.00 0.00 N ATOM 1482 CA PRO A 99 12.161 -0.818 -20.503 1.00 0.00 C ATOM 1483 C PRO A 99 11.339 -0.312 -19.318 1.00 0.00 C ATOM 1484 O PRO A 99 10.368 -0.946 -18.894 1.00 0.00 O ATOM 1485 CB PRO A 99 11.358 -0.761 -21.807 1.00 0.00 C ATOM 1486 CG PRO A 99 10.788 -2.172 -21.951 1.00 0.00 C ATOM 1487 CD PRO A 99 11.841 -3.059 -21.287 1.00 0.00 C ATOM 0 HA PRO A 99 13.041 -0.177 -20.560 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.566 -0.014 -21.756 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.991 -0.498 -22.654 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.819 -2.264 -21.460 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.641 -2.440 -22.997 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.377 -3.917 -20.799 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.541 -3.452 -22.024 1.00 0.00 H new ATOM 1495 N ALA A 100 11.727 0.848 -18.792 1.00 0.00 N ATOM 1496 CA ALA A 100 10.935 1.581 -17.818 1.00 0.00 C ATOM 1497 C ALA A 100 9.731 2.241 -18.502 1.00 0.00 C ATOM 1498 O ALA A 100 9.650 2.320 -19.731 1.00 0.00 O ATOM 1499 CB ALA A 100 11.816 2.678 -17.221 1.00 0.00 C ATOM 0 H ALA A 100 12.606 1.305 -19.034 1.00 0.00 H new ATOM 0 HA ALA A 100 10.578 0.897 -17.048 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.244 3.244 -16.486 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.682 2.226 -16.738 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.151 3.347 -18.013 1.00 0.00 H new ATOM 1505 N GLN A 101 8.812 2.771 -17.691 1.00 0.00 N ATOM 1506 CA GLN A 101 7.734 3.636 -18.152 1.00 0.00 C ATOM 1507 C GLN A 101 8.353 5.018 -18.377 1.00 0.00 C ATOM 1508 O GLN A 101 8.176 5.919 -17.561 1.00 0.00 O ATOM 1509 CB GLN A 101 6.584 3.677 -17.128 1.00 0.00 C ATOM 1510 CG GLN A 101 5.753 2.391 -17.143 1.00 0.00 C ATOM 1511 CD GLN A 101 4.675 2.408 -16.059 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.827 1.812 -14.995 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.564 3.090 -16.292 1.00 0.00 N ATOM 0 H GLN A 101 8.799 2.607 -16.684 1.00 0.00 H new ATOM 0 HA GLN A 101 7.293 3.264 -19.077 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.993 3.832 -16.130 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.938 4.528 -17.343 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.286 2.270 -18.120 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.407 1.532 -16.994 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.444 3.583 -17.177 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.828 3.123 -15.586 1.00 0.00 H new ATOM 1522 N HIS A 102 9.127 5.186 -19.451 1.00 0.00 N ATOM 1523 CA HIS A 102 9.864 6.416 -19.745 1.00 0.00 C ATOM 1524 C HIS A 102 8.964 7.659 -19.841 1.00 0.00 C ATOM 1525 O HIS A 102 9.457 8.776 -19.693 1.00 0.00 O ATOM 1526 CB HIS A 102 10.662 6.227 -21.036 1.00 0.00 C ATOM 1527 CG HIS A 102 11.654 5.097 -20.970 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.605 3.907 -21.666 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.737 5.034 -20.143 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.635 3.150 -21.252 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.368 3.801 -20.336 1.00 0.00 N ATOM 0 H HIS A 102 9.261 4.458 -20.153 1.00 0.00 H new ATOM 0 HA HIS A 102 10.537 6.601 -18.908 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.970 6.044 -21.858 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.192 7.152 -21.265 1.00 0.00 H new ATOM 0 HD1 HIS A 102 10.912 3.648 -22.368 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.053 5.805 -19.456 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.845 2.152 -21.608 1.00 0.00 H new ATOM 1539 N ALA A 103 7.652 7.483 -20.039 1.00 0.00 N ATOM 1540 CA ALA A 103 6.672 8.558 -19.932 1.00 0.00 C ATOM 1541 C ALA A 103 6.752 9.250 -18.558 1.00 0.00 C ATOM 1542 O ALA A 103 6.652 10.477 -18.475 1.00 0.00 O ATOM 1543 CB ALA A 103 5.272 7.977 -20.163 1.00 0.00 C ATOM 0 H ALA A 103 7.242 6.580 -20.280 1.00 0.00 H new ATOM 0 HA ALA A 103 6.886 9.313 -20.688 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.531 8.772 -20.085 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.223 7.531 -21.156 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.066 7.214 -19.412 1.00 0.00 H new ATOM 1549 N ILE A 104 6.971 8.475 -17.488 1.00 0.00 N ATOM 1550 CA ILE A 104 7.154 8.988 -16.135 1.00 0.00 C ATOM 1551 C ILE A 104 8.389 9.879 -16.110 1.00 0.00 C ATOM 1552 O ILE A 104 8.331 10.959 -15.530 1.00 0.00 O ATOM 1553 CB ILE A 104 7.289 7.832 -15.112 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.073 6.880 -15.113 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.535 8.369 -13.690 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.808 7.484 -14.497 1.00 0.00 C ATOM 0 H ILE A 104 7.026 7.458 -17.545 1.00 0.00 H new ATOM 0 HA ILE A 104 6.277 9.570 -15.850 1.00 0.00 H new ATOM 0 HB ILE A 104 8.155 7.252 -15.430 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.858 6.583 -16.139 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.334 5.974 -14.566 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.625 7.533 -12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.455 8.953 -13.676 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.699 9.001 -13.390 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.000 6.753 -14.536 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.002 7.755 -13.459 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.520 8.374 -15.057 1.00 0.00 H new ATOM 1568 N SER A 105 9.489 9.464 -16.738 1.00 0.00 N ATOM 1569 CA SER A 105 10.719 10.230 -16.764 1.00 0.00 C ATOM 1570 C SER A 105 10.475 11.617 -17.345 1.00 0.00 C ATOM 1571 O SER A 105 10.825 12.602 -16.699 1.00 0.00 O ATOM 1572 CB SER A 105 11.773 9.470 -17.561 1.00 0.00 C ATOM 1573 OG SER A 105 11.832 8.142 -17.077 1.00 0.00 O ATOM 0 H SER A 105 9.544 8.580 -17.244 1.00 0.00 H new ATOM 0 HA SER A 105 11.084 10.364 -15.746 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.522 9.476 -18.622 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.745 9.953 -17.461 1.00 0.00 H new ATOM 0 HG SER A 105 12.353 8.119 -16.247 1.00 0.00 H new ATOM 1579 N THR A 106 9.827 11.707 -18.509 1.00 0.00 N ATOM 1580 CA THR A 106 9.446 12.991 -19.087 1.00 0.00 C ATOM 1581 C THR A 106 8.605 13.827 -18.114 1.00 0.00 C ATOM 1582 O THR A 106 8.931 14.994 -17.892 1.00 0.00 O ATOM 1583 CB THR A 106 8.757 12.815 -20.457 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.075 11.584 -20.582 1.00 0.00 O ATOM 1585 CG2 THR A 106 9.769 12.873 -21.602 1.00 0.00 C ATOM 0 H THR A 106 9.556 10.899 -19.070 1.00 0.00 H new ATOM 0 HA THR A 106 10.363 13.553 -19.266 1.00 0.00 H new ATOM 0 HB THR A 106 8.043 13.636 -20.514 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.624 11.373 -19.738 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.251 12.746 -22.552 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.276 13.838 -21.591 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.503 12.077 -21.479 1.00 0.00 H new ATOM 1593 N GLU A 107 7.566 13.254 -17.497 1.00 0.00 N ATOM 1594 CA GLU A 107 6.681 13.996 -16.604 1.00 0.00 C ATOM 1595 C GLU A 107 7.449 14.519 -15.384 1.00 0.00 C ATOM 1596 O GLU A 107 7.386 15.708 -15.061 1.00 0.00 O ATOM 1597 CB GLU A 107 5.489 13.113 -16.180 1.00 0.00 C ATOM 1598 CG GLU A 107 4.452 12.990 -17.305 1.00 0.00 C ATOM 1599 CD GLU A 107 3.214 12.192 -16.855 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.316 12.774 -16.204 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.106 10.985 -17.170 1.00 0.00 O ATOM 0 H GLU A 107 7.319 12.270 -17.604 1.00 0.00 H new ATOM 0 HA GLU A 107 6.290 14.861 -17.140 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.849 12.121 -15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.017 13.538 -15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.146 13.985 -17.628 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.906 12.501 -18.167 1.00 0.00 H new ATOM 1608 N LYS A 108 8.204 13.646 -14.715 1.00 0.00 N ATOM 1609 CA LYS A 108 8.913 13.971 -13.483 1.00 0.00 C ATOM 1610 C LYS A 108 10.045 14.956 -13.757 1.00 0.00 C ATOM 1611 O LYS A 108 10.175 15.939 -13.028 1.00 0.00 O ATOM 1612 CB LYS A 108 9.452 12.679 -12.846 1.00 0.00 C ATOM 1613 CG LYS A 108 8.382 11.703 -12.328 1.00 0.00 C ATOM 1614 CD LYS A 108 7.632 12.237 -11.103 1.00 0.00 C ATOM 1615 CE LYS A 108 6.743 11.137 -10.508 1.00 0.00 C ATOM 1616 NZ LYS A 108 6.093 11.582 -9.253 1.00 0.00 N ATOM 0 H LYS A 108 8.340 12.682 -15.020 1.00 0.00 H new ATOM 0 HA LYS A 108 8.222 14.447 -12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.067 12.160 -13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.106 12.948 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.667 11.499 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.855 10.755 -12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.344 12.585 -10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.022 13.095 -11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.980 10.853 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.344 10.249 -10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.772 10.752 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.774 12.123 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 5.276 12.184 -9.480 1.00 0.00 H new ATOM 1630 N ILE A 109 10.857 14.733 -14.794 1.00 0.00 N ATOM 1631 CA ILE A 109 11.963 15.629 -15.124 1.00 0.00 C ATOM 1632 C ILE A 109 11.396 16.999 -15.512 1.00 0.00 C ATOM 1633 O ILE A 109 11.962 17.996 -15.078 1.00 0.00 O ATOM 1634 CB ILE A 109 12.895 14.996 -16.190 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.720 13.829 -15.594 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.862 16.013 -16.827 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.305 12.884 -16.658 1.00 0.00 C ATOM 0 H ILE A 109 10.766 13.934 -15.421 1.00 0.00 H new ATOM 0 HA ILE A 109 12.603 15.784 -14.255 1.00 0.00 H new ATOM 0 HB ILE A 109 12.232 14.623 -16.971 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.534 14.239 -14.996 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.086 13.255 -14.918 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.487 15.509 -17.564 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.290 16.802 -17.315 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.494 16.448 -16.053 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.870 12.091 -16.169 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.495 12.446 -17.241 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.965 13.445 -17.319 1.00 0.00 H new ATOM 1649 N LYS A 110 10.278 17.105 -16.247 1.00 0.00 N ATOM 1650 CA LYS A 110 9.700 18.426 -16.537 1.00 0.00 C ATOM 1651 C LYS A 110 9.164 19.094 -15.273 1.00 0.00 C ATOM 1652 O LYS A 110 9.312 20.309 -15.140 1.00 0.00 O ATOM 1653 CB LYS A 110 8.614 18.351 -17.624 1.00 0.00 C ATOM 1654 CG LYS A 110 9.261 18.113 -18.991 1.00 0.00 C ATOM 1655 CD LYS A 110 8.255 18.020 -20.142 1.00 0.00 C ATOM 1656 CE LYS A 110 9.039 17.831 -21.451 1.00 0.00 C ATOM 1657 NZ LYS A 110 8.158 17.621 -22.628 1.00 0.00 N ATOM 0 H LYS A 110 9.768 16.315 -16.642 1.00 0.00 H new ATOM 0 HA LYS A 110 10.508 19.046 -16.925 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.915 17.546 -17.397 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.039 19.277 -17.640 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.961 18.922 -19.197 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.841 17.191 -18.953 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.572 17.185 -19.984 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.647 18.924 -20.190 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.664 18.707 -21.624 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.708 16.977 -21.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.741 17.500 -23.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.579 16.770 -22.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.536 18.446 -22.748 1.00 0.00 H new ATOM 1671 N ALA A 111 8.577 18.336 -14.338 1.00 0.00 N ATOM 1672 CA ALA A 111 8.104 18.890 -13.073 1.00 0.00 C ATOM 1673 C ALA A 111 9.271 19.457 -12.251 1.00 0.00 C ATOM 1674 O ALA A 111 9.175 20.572 -11.736 1.00 0.00 O ATOM 1675 CB ALA A 111 7.339 17.821 -12.281 1.00 0.00 C ATOM 0 H ALA A 111 8.420 17.333 -14.439 1.00 0.00 H new ATOM 0 HA ALA A 111 7.422 19.713 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.991 18.245 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.483 17.480 -12.863 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.999 16.978 -12.077 1.00 0.00 H new ATOM 1681 N LYS A 112 10.380 18.713 -12.137 1.00 0.00 N ATOM 1682 CA LYS A 112 11.570 19.156 -11.409 1.00 0.00 C ATOM 1683 C LYS A 112 12.284 20.294 -12.149 1.00 0.00 C ATOM 1684 O LYS A 112 12.743 21.240 -11.510 1.00 0.00 O ATOM 1685 CB LYS A 112 12.515 17.948 -11.234 1.00 0.00 C ATOM 1686 CG LYS A 112 13.750 18.243 -10.360 1.00 0.00 C ATOM 1687 CD LYS A 112 13.431 18.185 -8.857 1.00 0.00 C ATOM 1688 CE LYS A 112 14.590 18.663 -7.963 1.00 0.00 C ATOM 1689 NZ LYS A 112 15.835 17.865 -8.113 1.00 0.00 N ATOM 0 H LYS A 112 10.474 17.785 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 112 11.272 19.542 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.957 17.124 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.849 17.615 -12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.535 17.523 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.140 19.230 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.552 18.797 -8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.174 17.161 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.808 19.706 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.271 18.628 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.432 17.991 -7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.592 16.859 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.353 18.186 -8.956 1.00 0.00 H new ATOM 1703 N TYR A 113 12.343 20.206 -13.479 1.00 0.00 N ATOM 1704 CA TYR A 113 13.154 21.021 -14.377 1.00 0.00 C ATOM 1705 C TYR A 113 14.590 21.119 -13.830 1.00 0.00 C ATOM 1706 O TYR A 113 15.009 22.182 -13.364 1.00 0.00 O ATOM 1707 CB TYR A 113 12.483 22.354 -14.748 1.00 0.00 C ATOM 1708 CG TYR A 113 12.987 22.875 -16.085 1.00 0.00 C ATOM 1709 CD1 TYR A 113 14.146 23.674 -16.154 1.00 0.00 C ATOM 1710 CD2 TYR A 113 12.332 22.493 -17.273 1.00 0.00 C ATOM 1711 CE1 TYR A 113 14.654 24.077 -17.402 1.00 0.00 C ATOM 1712 CE2 TYR A 113 12.829 22.901 -18.524 1.00 0.00 C ATOM 1713 CZ TYR A 113 14.001 23.689 -18.594 1.00 0.00 C ATOM 1714 OH TYR A 113 14.511 24.075 -19.797 1.00 0.00 O ATOM 0 H TYR A 113 11.788 19.518 -13.988 1.00 0.00 H new ATOM 0 HA TYR A 113 13.233 20.527 -15.346 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.402 22.219 -14.792 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.681 23.092 -13.970 1.00 0.00 H new ATOM 0 HD1 TYR A 113 14.645 23.978 -15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 113 11.442 21.883 -17.222 1.00 0.00 H new ATOM 0 HE1 TYR A 113 15.546 24.685 -17.450 1.00 0.00 H new ATOM 0 HE2 TYR A 113 12.316 22.613 -19.430 1.00 0.00 H new ATOM 0 HH TYR A 113 13.947 23.726 -20.519 1.00 0.00 H new ATOM 1771 N GLU A 117 14.827 20.674 -20.575 1.00 0.00 N ATOM 1772 CA GLU A 117 13.632 19.951 -21.000 1.00 0.00 C ATOM 1773 C GLU A 117 14.032 18.511 -21.373 1.00 0.00 C ATOM 1774 O GLU A 117 15.214 18.156 -21.386 1.00 0.00 O ATOM 1775 CB GLU A 117 12.968 20.727 -22.159 1.00 0.00 C ATOM 1776 CG GLU A 117 11.537 20.289 -22.505 1.00 0.00 C ATOM 1777 CD GLU A 117 10.833 21.299 -23.431 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.222 22.270 -22.930 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.866 21.108 -24.668 1.00 0.00 O ATOM 0 HA GLU A 117 12.894 19.880 -20.201 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.955 21.787 -21.905 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.589 20.620 -23.049 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.563 19.312 -22.987 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.960 20.176 -21.587 1.00 0.00 H new ATOM 1786 N VAL A 118 13.062 17.658 -21.691 1.00 0.00 N ATOM 1787 CA VAL A 118 13.269 16.237 -21.927 1.00 0.00 C ATOM 1788 C VAL A 118 12.239 15.758 -22.947 1.00 0.00 C ATOM 1789 O VAL A 118 11.156 16.339 -23.059 1.00 0.00 O ATOM 1790 CB VAL A 118 13.206 15.496 -20.573 1.00 0.00 C ATOM 1791 CG1 VAL A 118 11.924 15.821 -19.799 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.371 13.973 -20.668 1.00 0.00 C ATOM 0 H VAL A 118 12.089 17.945 -21.793 1.00 0.00 H new ATOM 0 HA VAL A 118 14.251 16.027 -22.351 1.00 0.00 H new ATOM 0 HB VAL A 118 14.071 15.874 -20.028 1.00 0.00 H new ATOM 0 HG11 VAL A 118 11.922 15.278 -18.854 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.879 16.892 -19.603 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.057 15.524 -20.389 1.00 0.00 H new ATOM 0 HG21 VAL A 118 13.313 13.538 -19.670 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.578 13.559 -21.291 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.339 13.739 -21.111 1.00 0.00 H new ATOM 1802 N THR A 119 12.563 14.684 -23.658 1.00 0.00 N ATOM 1803 CA THR A 119 11.682 13.983 -24.583 1.00 0.00 C ATOM 1804 C THR A 119 11.940 12.479 -24.427 1.00 0.00 C ATOM 1805 O THR A 119 12.897 12.083 -23.752 1.00 0.00 O ATOM 1806 CB THR A 119 11.942 14.485 -26.017 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.330 14.567 -26.303 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.305 15.853 -26.268 1.00 0.00 C ATOM 0 H THR A 119 13.489 14.260 -23.602 1.00 0.00 H new ATOM 0 HA THR A 119 10.631 14.177 -24.367 1.00 0.00 H new ATOM 0 HB THR A 119 11.482 13.751 -26.679 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.619 13.749 -26.760 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.513 16.169 -27.290 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.227 15.785 -26.121 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.721 16.581 -25.572 1.00 0.00 H new ATOM 1816 N TRP A 120 11.117 11.627 -25.044 1.00 0.00 N ATOM 1817 CA TRP A 120 11.368 10.188 -25.058 1.00 0.00 C ATOM 1818 C TRP A 120 10.914 9.557 -26.367 1.00 0.00 C ATOM 1819 O TRP A 120 10.187 10.181 -27.148 1.00 0.00 O ATOM 1820 CB TRP A 120 10.702 9.483 -23.861 1.00 0.00 C ATOM 1821 CG TRP A 120 9.221 9.235 -23.922 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.250 10.174 -23.893 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.517 7.955 -23.984 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.008 9.572 -23.879 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.113 8.199 -23.911 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.924 6.607 -24.079 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.168 7.161 -23.887 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.988 5.557 -24.023 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.613 5.830 -23.928 1.00 0.00 C ATOM 0 H TRP A 120 10.272 11.911 -25.540 1.00 0.00 H new ATOM 0 HA TRP A 120 12.446 10.053 -24.970 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.196 8.521 -23.723 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.905 10.076 -22.969 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.421 11.240 -23.882 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.124 10.080 -23.849 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.973 6.377 -24.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.112 7.383 -23.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.330 4.533 -24.053 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.901 5.019 -23.887 1.00 0.00 H new ATOM 1840 N ALA A 121 11.319 8.305 -26.575 1.00 0.00 N ATOM 1841 CA ALA A 121 10.837 7.442 -27.637 1.00 0.00 C ATOM 1842 C ALA A 121 10.778 6.023 -27.080 1.00 0.00 C ATOM 1843 O ALA A 121 11.653 5.612 -26.313 1.00 0.00 O ATOM 1844 CB ALA A 121 11.767 7.509 -28.854 1.00 0.00 C ATOM 0 H ALA A 121 12.017 7.853 -25.984 1.00 0.00 H new ATOM 0 HA ALA A 121 9.850 7.762 -27.970 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.387 6.855 -29.639 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.808 8.533 -29.224 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.768 7.187 -28.566 1.00 0.00 H new