USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=27 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 -119:sc= 0.997 USER MOD Set 1.2: A 102 HIS : no HE2:sc= -0.133 K(o=1.8,f=1.1) USER MOD Set 1.3: A 105 SER OG : rot -79:sc= 0.918 USER MOD Set 2.1: A 80 SER OG : rot 10:sc= 0.587 USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= 0.423 USER MOD Set 3.1: A 89 HIS : no HD1:sc= 0.98 K(o=2.3,f=-4.2!) USER MOD Set 3.2: A 119 THR OG1 : rot 64:sc= 1.29 USER MOD Set 4.1: A 64 MET CE :methyl -168:sc= -0.54 (180deg=-0.856) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.05 K(o=0.51,f=-0.49) USER MOD Set 5.1: A 53 HIS : no HE2:sc= -1.63! C(o=-1.6!,f=-4.3!) USER MOD Set 5.2: A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.08 K(o=2.4,f=-5.7!) USER MOD Set 6.2: A 40 SER OG : rot -106:sc= 1.33 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.03) USER MOD Single : A 29 SER OG : rot 61:sc= 1.03 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 2.09 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot 173:sc= 1.28 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 -1:sc= 0.517 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 83:sc= 1.14 USER MOD Single : A 65 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.586) USER MOD Single : A 69 CYS SG : rot -76:sc= -0.197 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.07 USER MOD Single : A 73 CYS SG : rot 149:sc= 1.55 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -51:sc= 1.51 USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 22:sc= 0.321 USER MOD Single : A 108 LYS NZ :NH3+ -136:sc= 0.789 (180deg=-0.276!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N ASP A 5 8.023 10.985 4.936 1.00 0.00 N ATOM 57 CA ASP A 5 6.859 10.695 4.103 1.00 0.00 C ATOM 58 C ASP A 5 7.305 10.694 2.645 1.00 0.00 C ATOM 59 O ASP A 5 8.289 11.357 2.307 1.00 0.00 O ATOM 60 CB ASP A 5 5.777 11.760 4.335 1.00 0.00 C ATOM 61 CG ASP A 5 4.570 11.529 3.415 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.710 10.684 3.750 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.503 12.168 2.343 1.00 0.00 O ATOM 0 HA ASP A 5 6.439 9.722 4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.455 11.735 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.193 12.751 4.153 1.00 0.00 H new ATOM 68 N LEU A 6 6.586 9.971 1.780 1.00 0.00 N ATOM 69 CA LEU A 6 6.885 9.856 0.357 1.00 0.00 C ATOM 70 C LEU A 6 7.086 11.217 -0.321 1.00 0.00 C ATOM 71 O LEU A 6 7.924 11.325 -1.215 1.00 0.00 O ATOM 72 CB LEU A 6 5.747 9.113 -0.361 1.00 0.00 C ATOM 73 CG LEU A 6 5.611 7.599 -0.109 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.464 7.073 -0.982 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.900 6.822 -0.411 1.00 0.00 C ATOM 0 H LEU A 6 5.762 9.439 2.061 1.00 0.00 H new ATOM 0 HA LEU A 6 7.820 9.301 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.807 9.586 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.871 9.265 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 6 5.405 7.447 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.347 6.001 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.539 7.583 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.690 7.260 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.740 5.762 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.171 6.960 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.705 7.192 0.224 1.00 0.00 H new ATOM 87 N ALA A 7 6.346 12.252 0.087 1.00 0.00 N ATOM 88 CA ALA A 7 6.431 13.577 -0.510 1.00 0.00 C ATOM 89 C ALA A 7 7.783 14.254 -0.246 1.00 0.00 C ATOM 90 O ALA A 7 8.174 15.148 -0.998 1.00 0.00 O ATOM 91 CB ALA A 7 5.292 14.456 0.019 1.00 0.00 C ATOM 0 H ALA A 7 5.668 12.188 0.846 1.00 0.00 H new ATOM 0 HA ALA A 7 6.339 13.456 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.359 15.447 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.334 14.004 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.372 14.542 1.103 1.00 0.00 H new ATOM 97 N LEU A 8 8.489 13.859 0.821 1.00 0.00 N ATOM 98 CA LEU A 8 9.775 14.441 1.201 1.00 0.00 C ATOM 99 C LEU A 8 10.923 13.816 0.404 1.00 0.00 C ATOM 100 O LEU A 8 12.007 14.398 0.345 1.00 0.00 O ATOM 101 CB LEU A 8 10.032 14.261 2.710 1.00 0.00 C ATOM 102 CG LEU A 8 8.956 14.864 3.638 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.356 14.652 5.102 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.731 16.362 3.393 1.00 0.00 C ATOM 0 H LEU A 8 8.177 13.118 1.449 1.00 0.00 H new ATOM 0 HA LEU A 8 9.732 15.506 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.116 13.195 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.994 14.712 2.955 1.00 0.00 H new ATOM 0 HG LEU A 8 8.022 14.349 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.593 15.079 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.448 13.585 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.311 15.141 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.964 16.731 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.661 16.903 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.408 16.518 2.364 1.00 0.00 H new ATOM 116 N ILE A 9 10.716 12.631 -0.179 1.00 0.00 N ATOM 117 CA ILE A 9 11.729 11.912 -0.943 1.00 0.00 C ATOM 118 C ILE A 9 12.107 12.772 -2.169 1.00 0.00 C ATOM 119 O ILE A 9 11.194 13.233 -2.860 1.00 0.00 O ATOM 120 CB ILE A 9 11.186 10.517 -1.337 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.835 9.718 -0.056 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.208 9.757 -2.198 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.336 8.292 -0.298 1.00 0.00 C ATOM 0 H ILE A 9 9.823 12.140 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 9 12.630 11.745 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 9 10.282 10.641 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.719 9.674 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.071 10.265 0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.805 8.779 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.412 10.324 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.133 9.628 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.117 7.816 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.431 8.321 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.104 7.721 -0.820 1.00 0.00 H new ATOM 135 N PRO A 10 13.407 12.995 -2.469 1.00 0.00 N ATOM 136 CA PRO A 10 13.847 13.626 -3.712 1.00 0.00 C ATOM 137 C PRO A 10 13.291 12.856 -4.915 1.00 0.00 C ATOM 138 O PRO A 10 13.661 11.702 -5.153 1.00 0.00 O ATOM 139 CB PRO A 10 15.381 13.659 -3.673 1.00 0.00 C ATOM 140 CG PRO A 10 15.709 13.509 -2.189 1.00 0.00 C ATOM 141 CD PRO A 10 14.557 12.667 -1.642 1.00 0.00 C ATOM 0 HA PRO A 10 13.472 14.645 -3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.814 12.851 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.772 14.593 -4.077 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.670 13.016 -2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.767 14.478 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.788 11.603 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.365 12.898 -0.594 1.00 0.00 H new ATOM 149 N ASP A 11 12.373 13.485 -5.648 1.00 0.00 N ATOM 150 CA ASP A 11 11.582 12.821 -6.681 1.00 0.00 C ATOM 151 C ASP A 11 12.384 12.508 -7.946 1.00 0.00 C ATOM 152 O ASP A 11 12.205 11.456 -8.563 1.00 0.00 O ATOM 153 CB ASP A 11 10.387 13.710 -7.027 1.00 0.00 C ATOM 154 CG ASP A 11 9.413 12.939 -7.908 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.712 12.049 -7.381 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.321 13.197 -9.123 1.00 0.00 O ATOM 0 H ASP A 11 12.157 14.476 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 11 11.254 11.861 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.888 14.036 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.727 14.608 -7.543 1.00 0.00 H new ATOM 161 N VAL A 12 13.308 13.403 -8.299 1.00 0.00 N ATOM 162 CA VAL A 12 14.197 13.276 -9.442 1.00 0.00 C ATOM 163 C VAL A 12 15.551 13.806 -8.983 1.00 0.00 C ATOM 164 O VAL A 12 15.620 14.860 -8.346 1.00 0.00 O ATOM 165 CB VAL A 12 13.672 14.090 -10.647 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.545 13.889 -11.896 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.221 13.772 -11.019 1.00 0.00 C ATOM 0 H VAL A 12 13.459 14.265 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 12 14.265 12.240 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 12 13.720 15.127 -10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.142 14.478 -12.720 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.564 14.212 -11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.549 12.834 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.922 14.381 -11.872 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.135 12.717 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.572 13.992 -10.172 1.00 0.00 H new ATOM 177 N ASP A 13 16.622 13.093 -9.320 1.00 0.00 N ATOM 178 CA ASP A 13 17.993 13.562 -9.152 1.00 0.00 C ATOM 179 C ASP A 13 18.837 12.821 -10.181 1.00 0.00 C ATOM 180 O ASP A 13 18.996 11.603 -10.086 1.00 0.00 O ATOM 181 CB ASP A 13 18.501 13.318 -7.726 1.00 0.00 C ATOM 182 CG ASP A 13 19.981 13.704 -7.583 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.399 14.758 -8.114 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.724 12.965 -6.901 1.00 0.00 O ATOM 0 H ASP A 13 16.560 12.158 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 13 18.054 14.639 -9.307 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.903 13.896 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.371 12.267 -7.467 1.00 0.00 H new ATOM 189 N ILE A 14 19.287 13.533 -11.215 1.00 0.00 N ATOM 190 CA ILE A 14 19.938 12.955 -12.385 1.00 0.00 C ATOM 191 C ILE A 14 21.052 13.880 -12.882 1.00 0.00 C ATOM 192 O ILE A 14 21.067 15.075 -12.565 1.00 0.00 O ATOM 193 CB ILE A 14 18.915 12.695 -13.527 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.199 13.980 -14.013 1.00 0.00 C ATOM 195 CG2 ILE A 14 17.884 11.622 -13.134 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.426 13.788 -15.322 1.00 0.00 C ATOM 0 H ILE A 14 19.206 14.549 -11.261 1.00 0.00 H new ATOM 0 HA ILE A 14 20.370 11.999 -12.090 1.00 0.00 H new ATOM 0 HB ILE A 14 19.503 12.323 -14.366 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.510 14.318 -13.239 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.938 14.770 -14.149 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.187 11.469 -13.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.398 10.686 -12.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.336 11.950 -12.251 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.949 14.727 -15.604 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.114 13.480 -16.109 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.664 13.021 -15.185 1.00 0.00 H new ATOM 266 N PHE A 20 24.502 8.959 -19.914 1.00 0.00 N ATOM 267 CA PHE A 20 24.517 8.096 -18.734 1.00 0.00 C ATOM 268 C PHE A 20 23.293 7.181 -18.767 1.00 0.00 C ATOM 269 O PHE A 20 22.392 7.367 -19.587 1.00 0.00 O ATOM 270 CB PHE A 20 24.528 8.933 -17.441 1.00 0.00 C ATOM 271 CG PHE A 20 23.316 9.831 -17.251 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.263 11.089 -17.875 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.237 9.411 -16.454 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.139 11.917 -17.712 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.119 10.244 -16.274 1.00 0.00 C ATOM 276 CZ PHE A 20 21.071 11.498 -16.902 1.00 0.00 C ATOM 0 HA PHE A 20 25.424 7.492 -18.746 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.599 8.258 -16.588 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.425 9.552 -17.433 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.091 11.422 -18.483 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.267 8.442 -15.977 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.097 12.875 -18.209 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.298 9.919 -15.653 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.214 12.140 -16.763 1.00 0.00 H new ATOM 286 N LYS A 21 23.237 6.197 -17.867 1.00 0.00 N ATOM 287 CA LYS A 21 22.117 5.263 -17.788 1.00 0.00 C ATOM 288 C LYS A 21 21.290 5.596 -16.555 1.00 0.00 C ATOM 289 O LYS A 21 21.820 6.119 -15.573 1.00 0.00 O ATOM 290 CB LYS A 21 22.621 3.811 -17.761 1.00 0.00 C ATOM 291 CG LYS A 21 23.498 3.484 -18.981 1.00 0.00 C ATOM 292 CD LYS A 21 23.732 1.977 -19.128 1.00 0.00 C ATOM 293 CE LYS A 21 24.721 1.664 -20.261 1.00 0.00 C ATOM 294 NZ LYS A 21 26.135 1.900 -19.876 1.00 0.00 N ATOM 0 H LYS A 21 23.966 6.027 -17.175 1.00 0.00 H new ATOM 0 HA LYS A 21 21.487 5.361 -18.672 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.192 3.642 -16.848 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.769 3.132 -17.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.022 3.867 -19.884 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.457 3.993 -18.886 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.114 1.575 -18.190 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.783 1.479 -19.325 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.601 0.624 -20.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 24.479 2.278 -21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.762 1.373 -20.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.348 2.916 -19.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.287 1.577 -18.899 1.00 0.00 H new ATOM 308 N TYR A 22 19.995 5.301 -16.603 1.00 0.00 N ATOM 309 CA TYR A 22 19.042 5.694 -15.574 1.00 0.00 C ATOM 310 C TYR A 22 18.126 4.503 -15.253 1.00 0.00 C ATOM 311 O TYR A 22 18.130 3.489 -15.965 1.00 0.00 O ATOM 312 CB TYR A 22 18.302 6.981 -16.011 1.00 0.00 C ATOM 313 CG TYR A 22 16.847 6.769 -16.354 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.514 6.080 -17.529 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.849 7.115 -15.423 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.192 5.672 -17.746 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.518 6.731 -15.649 1.00 0.00 C ATOM 318 CZ TYR A 22 14.192 5.991 -16.804 1.00 0.00 C ATOM 319 OH TYR A 22 12.912 5.598 -17.019 1.00 0.00 O ATOM 0 H TYR A 22 19.573 4.775 -17.369 1.00 0.00 H new ATOM 0 HA TYR A 22 19.545 5.949 -14.641 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.372 7.717 -15.210 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.811 7.403 -16.878 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.275 5.865 -18.265 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.107 7.675 -14.536 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.938 5.113 -18.635 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.748 7.001 -14.942 1.00 0.00 H new ATOM 0 HH TYR A 22 12.333 6.387 -17.077 1.00 0.00 H new ATOM 329 N VAL A 23 17.346 4.624 -14.180 1.00 0.00 N ATOM 330 CA VAL A 23 16.390 3.627 -13.724 1.00 0.00 C ATOM 331 C VAL A 23 15.151 4.362 -13.186 1.00 0.00 C ATOM 332 O VAL A 23 15.246 5.497 -12.700 1.00 0.00 O ATOM 333 CB VAL A 23 17.097 2.706 -12.699 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.391 3.409 -11.365 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.342 1.396 -12.444 1.00 0.00 C ATOM 0 H VAL A 23 17.367 5.452 -13.585 1.00 0.00 H new ATOM 0 HA VAL A 23 16.037 2.976 -14.524 1.00 0.00 H new ATOM 0 HB VAL A 23 18.049 2.457 -13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.887 2.713 -10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.039 4.267 -11.541 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.456 3.746 -10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.889 0.796 -11.717 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.348 1.619 -12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.251 0.841 -13.378 1.00 0.00 H new ATOM 345 N LEU A 24 13.993 3.699 -13.246 1.00 0.00 N ATOM 346 CA LEU A 24 12.717 4.192 -12.739 1.00 0.00 C ATOM 347 C LEU A 24 12.340 3.230 -11.629 1.00 0.00 C ATOM 348 O LEU A 24 12.183 2.040 -11.914 1.00 0.00 O ATOM 349 CB LEU A 24 11.673 4.169 -13.875 1.00 0.00 C ATOM 350 CG LEU A 24 10.265 4.698 -13.519 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.286 6.193 -13.200 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.317 4.465 -14.701 1.00 0.00 C ATOM 0 H LEU A 24 13.919 2.772 -13.664 1.00 0.00 H new ATOM 0 HA LEU A 24 12.770 5.218 -12.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.060 4.757 -14.707 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.574 3.143 -14.229 1.00 0.00 H new ATOM 0 HG LEU A 24 9.924 4.159 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.278 6.527 -12.955 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.945 6.375 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.650 6.745 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.324 4.838 -14.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.692 4.993 -15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.260 3.398 -14.917 1.00 0.00 H new ATOM 364 N ILE A 25 12.240 3.690 -10.380 1.00 0.00 N ATOM 365 CA ILE A 25 12.007 2.789 -9.251 1.00 0.00 C ATOM 366 C ILE A 25 10.742 3.211 -8.512 1.00 0.00 C ATOM 367 O ILE A 25 10.548 4.393 -8.229 1.00 0.00 O ATOM 368 CB ILE A 25 13.263 2.565 -8.352 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.183 3.163 -6.930 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.604 2.974 -8.994 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.285 2.657 -5.994 1.00 0.00 C ATOM 0 H ILE A 25 12.316 4.675 -10.126 1.00 0.00 H new ATOM 0 HA ILE A 25 11.827 1.786 -9.638 1.00 0.00 H new ATOM 0 HB ILE A 25 13.245 1.480 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.244 4.249 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.211 2.924 -6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.417 2.781 -8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.764 2.395 -9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.581 4.036 -9.239 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.169 3.117 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.212 1.574 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.260 2.919 -6.405 1.00 0.00 H new ATOM 383 N ARG A 26 9.880 2.235 -8.224 1.00 0.00 N ATOM 384 CA ARG A 26 8.732 2.383 -7.343 1.00 0.00 C ATOM 385 C ARG A 26 9.242 2.342 -5.913 1.00 0.00 C ATOM 386 O ARG A 26 10.188 1.610 -5.627 1.00 0.00 O ATOM 387 CB ARG A 26 7.744 1.240 -7.608 1.00 0.00 C ATOM 388 CG ARG A 26 6.484 1.308 -6.722 1.00 0.00 C ATOM 389 CD ARG A 26 5.296 0.572 -7.354 1.00 0.00 C ATOM 390 NE ARG A 26 4.792 1.328 -8.511 1.00 0.00 N ATOM 391 CZ ARG A 26 3.940 0.919 -9.453 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.395 -0.294 -9.400 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.647 1.745 -10.452 1.00 0.00 N ATOM 0 H ARG A 26 9.968 1.295 -8.611 1.00 0.00 H new ATOM 0 HA ARG A 26 8.213 3.325 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.445 1.263 -8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.247 0.288 -7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.703 0.873 -5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.216 2.351 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.601 -0.426 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.502 0.447 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 26 5.137 2.283 -8.605 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.627 -0.924 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.745 -0.593 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.071 2.672 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.998 1.452 -11.182 1.00 0.00 H new ATOM 407 N VAL A 27 8.581 3.063 -5.021 1.00 0.00 N ATOM 408 CA VAL A 27 8.919 3.229 -3.622 1.00 0.00 C ATOM 409 C VAL A 27 7.596 3.097 -2.864 1.00 0.00 C ATOM 410 O VAL A 27 6.574 3.608 -3.331 1.00 0.00 O ATOM 411 CB VAL A 27 9.550 4.627 -3.425 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.046 4.829 -1.990 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.722 4.915 -4.380 1.00 0.00 C ATOM 0 H VAL A 27 7.739 3.580 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 27 9.640 2.494 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 27 8.743 5.324 -3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.482 5.823 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.209 4.731 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.800 4.077 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.114 5.913 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.509 4.178 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.373 4.858 -5.411 1.00 0.00 H new ATOM 423 N HIS A 28 7.610 2.431 -1.708 1.00 0.00 N ATOM 424 CA HIS A 28 6.432 2.180 -0.880 1.00 0.00 C ATOM 425 C HIS A 28 6.554 2.975 0.421 1.00 0.00 C ATOM 426 O HIS A 28 7.661 3.168 0.935 1.00 0.00 O ATOM 427 CB HIS A 28 6.335 0.673 -0.599 1.00 0.00 C ATOM 428 CG HIS A 28 6.298 -0.177 -1.850 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.323 -0.160 -2.823 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.234 -1.095 -2.243 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.659 -1.050 -3.769 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.824 -1.650 -3.465 1.00 0.00 N ATOM 0 H HIS A 28 8.465 2.041 -1.312 1.00 0.00 H new ATOM 0 HA HIS A 28 5.526 2.499 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.187 0.370 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.438 0.479 -0.012 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.135 -1.349 -1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.074 -1.256 -4.653 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.310 -2.362 -4.011 1.00 0.00 H new ATOM 440 N SER A 29 5.421 3.433 0.960 1.00 0.00 N ATOM 441 CA SER A 29 5.362 4.172 2.216 1.00 0.00 C ATOM 442 C SER A 29 5.776 3.254 3.373 1.00 0.00 C ATOM 443 O SER A 29 4.987 2.422 3.826 1.00 0.00 O ATOM 444 CB SER A 29 3.949 4.715 2.476 1.00 0.00 C ATOM 445 OG SER A 29 3.441 5.472 1.403 1.00 0.00 O ATOM 0 H SER A 29 4.508 3.297 0.527 1.00 0.00 H new ATOM 0 HA SER A 29 6.047 5.017 2.146 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.277 3.880 2.674 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.963 5.333 3.374 1.00 0.00 H new ATOM 0 HG SER A 29 3.394 4.911 0.601 1.00 0.00 H new ATOM 451 N ALA A 30 7.013 3.399 3.846 1.00 0.00 N ATOM 452 CA ALA A 30 7.506 2.774 5.066 1.00 0.00 C ATOM 453 C ALA A 30 8.620 3.563 5.803 1.00 0.00 C ATOM 454 O ALA A 30 9.268 2.926 6.637 1.00 0.00 O ATOM 455 CB ALA A 30 7.942 1.332 4.739 1.00 0.00 C ATOM 0 H ALA A 30 7.716 3.970 3.377 1.00 0.00 H new ATOM 0 HA ALA A 30 6.683 2.771 5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.314 0.850 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.089 0.772 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.731 1.352 3.988 1.00 0.00 H new ATOM 461 N PRO A 31 8.910 4.875 5.575 1.00 0.00 N ATOM 462 CA PRO A 31 9.941 5.569 6.344 1.00 0.00 C ATOM 463 C PRO A 31 9.928 5.287 7.853 1.00 0.00 C ATOM 464 O PRO A 31 8.882 5.332 8.507 1.00 0.00 O ATOM 465 CB PRO A 31 9.782 7.057 6.057 1.00 0.00 C ATOM 466 CG PRO A 31 9.290 7.059 4.617 1.00 0.00 C ATOM 467 CD PRO A 31 8.392 5.820 4.578 1.00 0.00 C ATOM 0 HA PRO A 31 10.913 5.191 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.067 7.527 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.724 7.595 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.739 7.968 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.113 6.987 3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.359 6.087 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.398 5.372 3.584 1.00 0.00 H new ATOM 475 N ARG A 32 11.121 4.985 8.378 1.00 0.00 N ATOM 476 CA ARG A 32 11.445 4.563 9.744 1.00 0.00 C ATOM 477 C ARG A 32 10.405 3.621 10.372 1.00 0.00 C ATOM 478 O ARG A 32 10.193 3.658 11.584 1.00 0.00 O ATOM 479 CB ARG A 32 11.772 5.801 10.606 1.00 0.00 C ATOM 480 CG ARG A 32 12.850 6.741 10.020 1.00 0.00 C ATOM 481 CD ARG A 32 14.190 6.069 9.666 1.00 0.00 C ATOM 482 NE ARG A 32 14.851 5.475 10.839 1.00 0.00 N ATOM 483 CZ ARG A 32 15.967 4.731 10.817 1.00 0.00 C ATOM 484 NH1 ARG A 32 16.604 4.472 9.676 1.00 0.00 N ATOM 485 NH2 ARG A 32 16.445 4.240 11.956 1.00 0.00 N ATOM 0 H ARG A 32 11.962 5.035 7.803 1.00 0.00 H new ATOM 0 HA ARG A 32 12.339 3.941 9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.856 6.373 10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.101 5.464 11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.449 7.210 9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.041 7.539 10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.018 5.294 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.854 6.806 9.214 1.00 0.00 H new ATOM 0 HE ARG A 32 14.423 5.644 11.749 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.245 4.842 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.451 3.904 9.682 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.964 4.430 12.835 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.293 3.673 11.951 1.00 0.00 H new ATOM 499 N SER A 33 9.765 2.772 9.558 1.00 0.00 N ATOM 500 CA SER A 33 8.733 1.825 9.972 1.00 0.00 C ATOM 501 C SER A 33 7.593 2.492 10.769 1.00 0.00 C ATOM 502 O SER A 33 6.996 1.860 11.645 1.00 0.00 O ATOM 503 CB SER A 33 9.387 0.638 10.702 1.00 0.00 C ATOM 504 OG SER A 33 10.485 0.119 9.959 1.00 0.00 O ATOM 0 H SER A 33 9.962 2.728 8.558 1.00 0.00 H new ATOM 0 HA SER A 33 8.239 1.435 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.729 0.957 11.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.648 -0.147 10.860 1.00 0.00 H new ATOM 0 HG SER A 33 10.883 -0.633 10.446 1.00 0.00 H new ATOM 510 N GLY A 34 7.286 3.765 10.481 1.00 0.00 N ATOM 511 CA GLY A 34 6.289 4.554 11.207 1.00 0.00 C ATOM 512 C GLY A 34 5.425 5.415 10.284 1.00 0.00 C ATOM 513 O GLY A 34 4.740 6.321 10.762 1.00 0.00 O ATOM 0 H GLY A 34 7.733 4.281 9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.646 3.883 11.777 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.796 5.197 11.927 1.00 0.00 H new ATOM 551 N ALA A 38 0.340 3.052 3.283 1.00 0.00 N ATOM 552 CA ALA A 38 1.065 2.119 2.419 1.00 0.00 C ATOM 553 C ALA A 38 0.834 2.474 0.946 1.00 0.00 C ATOM 554 O ALA A 38 0.680 1.594 0.096 1.00 0.00 O ATOM 555 CB ALA A 38 0.695 0.671 2.759 1.00 0.00 C ATOM 0 HA ALA A 38 2.136 2.210 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.244 -0.008 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.953 0.464 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.376 0.526 2.615 1.00 0.00 H new ATOM 561 N GLU A 39 0.768 3.775 0.652 1.00 0.00 N ATOM 562 CA GLU A 39 0.752 4.266 -0.719 1.00 0.00 C ATOM 563 C GLU A 39 2.125 4.034 -1.368 1.00 0.00 C ATOM 564 O GLU A 39 3.103 3.751 -0.664 1.00 0.00 O ATOM 565 CB GLU A 39 0.370 5.758 -0.746 1.00 0.00 C ATOM 566 CG GLU A 39 -1.033 6.055 -0.189 1.00 0.00 C ATOM 567 CD GLU A 39 -2.150 5.347 -0.977 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.430 5.739 -2.133 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.781 4.407 -0.442 1.00 0.00 O ATOM 0 H GLU A 39 0.725 4.511 1.357 1.00 0.00 H new ATOM 0 HA GLU A 39 0.003 3.718 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.105 6.321 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.426 6.118 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.078 5.744 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.207 7.131 -0.209 1.00 0.00 H new ATOM 576 N SER A 40 2.217 4.199 -2.689 1.00 0.00 N ATOM 577 CA SER A 40 3.451 4.027 -3.451 1.00 0.00 C ATOM 578 C SER A 40 3.577 5.115 -4.522 1.00 0.00 C ATOM 579 O SER A 40 2.577 5.726 -4.917 1.00 0.00 O ATOM 580 CB SER A 40 3.492 2.639 -4.106 1.00 0.00 C ATOM 581 OG SER A 40 3.130 1.610 -3.199 1.00 0.00 O ATOM 0 H SER A 40 1.419 4.461 -3.268 1.00 0.00 H new ATOM 0 HA SER A 40 4.291 4.114 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.816 2.622 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.495 2.448 -4.488 1.00 0.00 H new ATOM 0 HG SER A 40 3.930 1.108 -2.938 1.00 0.00 H new ATOM 587 N LYS A 41 4.803 5.358 -4.992 1.00 0.00 N ATOM 588 CA LYS A 41 5.152 6.380 -5.983 1.00 0.00 C ATOM 589 C LYS A 41 6.437 5.980 -6.696 1.00 0.00 C ATOM 590 O LYS A 41 7.180 5.151 -6.173 1.00 0.00 O ATOM 591 CB LYS A 41 5.281 7.764 -5.309 1.00 0.00 C ATOM 592 CG LYS A 41 6.261 7.867 -4.117 1.00 0.00 C ATOM 593 CD LYS A 41 7.760 8.087 -4.386 1.00 0.00 C ATOM 594 CE LYS A 41 8.150 9.559 -4.594 1.00 0.00 C ATOM 595 NZ LYS A 41 7.662 10.098 -5.883 1.00 0.00 N ATOM 0 H LYS A 41 5.615 4.825 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 41 4.358 6.454 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.590 8.484 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.293 8.068 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.919 8.685 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.165 6.951 -3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.331 7.686 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.047 7.518 -5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.746 10.157 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.235 9.653 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.200 10.954 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.789 9.384 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.653 10.336 -5.800 1.00 0.00 H new ATOM 609 N GLU A 42 6.758 6.623 -7.820 1.00 0.00 N ATOM 610 CA GLU A 42 7.974 6.344 -8.580 1.00 0.00 C ATOM 611 C GLU A 42 8.945 7.510 -8.404 1.00 0.00 C ATOM 612 O GLU A 42 8.508 8.642 -8.162 1.00 0.00 O ATOM 613 CB GLU A 42 7.651 6.163 -10.077 1.00 0.00 C ATOM 614 CG GLU A 42 7.289 4.732 -10.492 1.00 0.00 C ATOM 615 CD GLU A 42 5.911 4.268 -9.999 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.791 3.870 -8.823 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.952 4.197 -10.801 1.00 0.00 O ATOM 0 H GLU A 42 6.178 7.355 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 42 8.422 5.421 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.822 6.822 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.512 6.488 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.317 4.662 -11.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.049 4.051 -10.109 1.00 0.00 H new ATOM 624 N ILE A 43 10.244 7.250 -8.569 1.00 0.00 N ATOM 625 CA ILE A 43 11.321 8.239 -8.595 1.00 0.00 C ATOM 626 C ILE A 43 12.263 7.923 -9.764 1.00 0.00 C ATOM 627 O ILE A 43 12.314 6.782 -10.236 1.00 0.00 O ATOM 628 CB ILE A 43 12.084 8.297 -7.249 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.743 6.949 -6.886 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.136 8.766 -6.136 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.640 6.990 -5.644 1.00 0.00 C ATOM 0 H ILE A 43 10.589 6.298 -8.694 1.00 0.00 H new ATOM 0 HA ILE A 43 10.887 9.228 -8.742 1.00 0.00 H new ATOM 0 HB ILE A 43 12.896 9.016 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.960 6.208 -6.728 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.336 6.609 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.677 8.806 -5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.754 9.758 -6.377 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.303 8.068 -6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.060 6.000 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.449 7.704 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.051 7.296 -4.779 1.00 0.00 H new ATOM 643 N VAL A 44 13.006 8.932 -10.217 1.00 0.00 N ATOM 644 CA VAL A 44 13.810 8.896 -11.436 1.00 0.00 C ATOM 645 C VAL A 44 15.245 9.236 -11.032 1.00 0.00 C ATOM 646 O VAL A 44 15.491 10.337 -10.535 1.00 0.00 O ATOM 647 CB VAL A 44 13.221 9.919 -12.436 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.056 10.070 -13.713 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.784 9.565 -12.852 1.00 0.00 C ATOM 0 H VAL A 44 13.066 9.826 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 44 13.802 7.920 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 44 13.232 10.863 -11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.587 10.802 -14.370 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.060 10.406 -13.454 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.116 9.109 -14.224 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.414 10.312 -13.554 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.774 8.584 -13.327 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.144 9.548 -11.970 1.00 0.00 H new ATOM 659 N ARG A 45 16.191 8.309 -11.226 1.00 0.00 N ATOM 660 CA ARG A 45 17.596 8.500 -10.850 1.00 0.00 C ATOM 661 C ARG A 45 18.482 7.959 -11.964 1.00 0.00 C ATOM 662 O ARG A 45 18.099 7.009 -12.650 1.00 0.00 O ATOM 663 CB ARG A 45 17.918 7.776 -9.525 1.00 0.00 C ATOM 664 CG ARG A 45 17.107 8.233 -8.299 1.00 0.00 C ATOM 665 CD ARG A 45 17.311 9.701 -7.908 1.00 0.00 C ATOM 666 NE ARG A 45 16.483 10.060 -6.741 1.00 0.00 N ATOM 667 CZ ARG A 45 16.823 9.895 -5.456 1.00 0.00 C ATOM 668 NH1 ARG A 45 18.042 9.469 -5.126 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.932 10.152 -4.505 1.00 0.00 N ATOM 0 H ARG A 45 16.002 7.401 -11.650 1.00 0.00 H new ATOM 0 HA ARG A 45 17.783 9.564 -10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.755 6.708 -9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.978 7.911 -9.307 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.048 8.068 -8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.373 7.604 -7.449 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.362 9.877 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.056 10.344 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 45 15.569 10.471 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.726 9.265 -5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.291 9.347 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.997 10.472 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.183 10.029 -3.524 1.00 0.00 H new ATOM 683 N GLY A 46 19.671 8.529 -12.136 1.00 0.00 N ATOM 684 CA GLY A 46 20.639 8.084 -13.122 1.00 0.00 C ATOM 685 C GLY A 46 21.825 9.026 -13.148 1.00 0.00 C ATOM 686 O GLY A 46 21.646 10.243 -13.073 1.00 0.00 O ATOM 0 H GLY A 46 19.990 9.325 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.972 7.073 -12.886 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.174 8.044 -14.107 1.00 0.00 H new ATOM 690 N TYR A 47 23.030 8.465 -13.243 1.00 0.00 N ATOM 691 CA TYR A 47 24.271 9.210 -13.084 1.00 0.00 C ATOM 692 C TYR A 47 25.366 8.495 -13.867 1.00 0.00 C ATOM 693 O TYR A 47 25.290 7.280 -14.061 1.00 0.00 O ATOM 694 CB TYR A 47 24.681 9.254 -11.602 1.00 0.00 C ATOM 695 CG TYR A 47 23.592 9.614 -10.605 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.753 8.598 -10.107 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.452 10.932 -10.132 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.809 8.881 -9.106 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.505 11.224 -9.133 1.00 0.00 C ATOM 700 CZ TYR A 47 21.694 10.194 -8.600 1.00 0.00 C ATOM 701 OH TYR A 47 20.833 10.437 -7.574 1.00 0.00 O ATOM 0 H TYR A 47 23.170 7.473 -13.434 1.00 0.00 H new ATOM 0 HA TYR A 47 24.129 10.228 -13.448 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.082 8.278 -11.330 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.493 9.973 -11.494 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.836 7.594 -10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.071 11.719 -10.536 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.173 8.096 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.397 12.236 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 47 20.942 11.361 -7.267 1.00 0.00 H new ATOM 711 N LYS A 48 26.415 9.221 -14.266 1.00 0.00 N ATOM 712 CA LYS A 48 27.523 8.648 -15.033 1.00 0.00 C ATOM 713 C LYS A 48 28.215 7.512 -14.271 1.00 0.00 C ATOM 714 O LYS A 48 28.654 6.551 -14.902 1.00 0.00 O ATOM 715 CB LYS A 48 28.500 9.770 -15.429 1.00 0.00 C ATOM 716 CG LYS A 48 29.553 9.304 -16.447 1.00 0.00 C ATOM 717 CD LYS A 48 30.437 10.473 -16.902 1.00 0.00 C ATOM 718 CE LYS A 48 31.479 9.979 -17.916 1.00 0.00 C ATOM 719 NZ LYS A 48 32.369 11.072 -18.384 1.00 0.00 N ATOM 0 H LYS A 48 26.519 10.216 -14.067 1.00 0.00 H new ATOM 0 HA LYS A 48 27.130 8.196 -15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.938 10.605 -15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.003 10.141 -14.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.174 8.526 -16.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.057 8.861 -17.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.821 11.252 -17.351 1.00 0.00 H new ATOM 0 HD3 LYS A 48 30.937 10.918 -16.042 1.00 0.00 H new ATOM 0 HE2 LYS A 48 32.081 9.192 -17.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.969 9.536 -18.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.056 10.692 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.799 11.812 -18.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 32.876 11.478 -17.572 1.00 0.00 H new ATOM 733 N TRP A 49 28.298 7.589 -12.935 1.00 0.00 N ATOM 734 CA TRP A 49 28.928 6.538 -12.139 1.00 0.00 C ATOM 735 C TRP A 49 28.158 5.213 -12.200 1.00 0.00 C ATOM 736 O TRP A 49 28.779 4.160 -12.037 1.00 0.00 O ATOM 737 CB TRP A 49 29.191 7.000 -10.693 1.00 0.00 C ATOM 738 CG TRP A 49 28.084 7.671 -9.925 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.061 8.983 -9.595 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.873 7.101 -9.330 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.938 9.263 -8.844 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.160 8.141 -8.658 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.294 5.816 -9.287 1.00 0.00 C ATOM 744 CZ2 TRP A 49 24.927 7.922 -8.024 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.029 5.598 -8.709 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.328 6.656 -8.107 1.00 0.00 C ATOM 0 H TRP A 49 27.936 8.370 -12.388 1.00 0.00 H new ATOM 0 HA TRP A 49 29.900 6.340 -12.590 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.505 6.127 -10.121 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.037 7.687 -10.716 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.812 9.706 -9.878 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.712 10.186 -8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.833 4.980 -9.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.445 8.719 -7.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.594 4.610 -8.729 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.336 6.496 -7.711 1.00 0.00 H new ATOM 757 N ALA A 50 26.843 5.221 -12.459 1.00 0.00 N ATOM 758 CA ALA A 50 26.087 3.998 -12.666 1.00 0.00 C ATOM 759 C ALA A 50 26.229 3.580 -14.125 1.00 0.00 C ATOM 760 O ALA A 50 25.365 3.851 -14.962 1.00 0.00 O ATOM 761 CB ALA A 50 24.628 4.154 -12.249 1.00 0.00 C ATOM 0 H ALA A 50 26.286 6.073 -12.529 1.00 0.00 H new ATOM 0 HA ALA A 50 26.490 3.210 -12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.098 3.217 -12.420 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.577 4.411 -11.191 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.164 4.946 -12.837 1.00 0.00 H new ATOM 767 N GLU A 51 27.339 2.912 -14.434 1.00 0.00 N ATOM 768 CA GLU A 51 27.591 2.352 -15.759 1.00 0.00 C ATOM 769 C GLU A 51 26.575 1.253 -16.120 1.00 0.00 C ATOM 770 O GLU A 51 26.501 0.860 -17.286 1.00 0.00 O ATOM 771 CB GLU A 51 29.027 1.804 -15.835 1.00 0.00 C ATOM 772 CG GLU A 51 30.087 2.902 -15.664 1.00 0.00 C ATOM 773 CD GLU A 51 31.509 2.349 -15.862 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.021 2.363 -17.005 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.144 1.914 -14.873 1.00 0.00 O ATOM 0 H GLU A 51 28.093 2.744 -13.768 1.00 0.00 H new ATOM 0 HA GLU A 51 27.473 3.154 -16.488 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.165 1.047 -15.062 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.173 1.309 -16.795 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.903 3.701 -16.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.001 3.340 -14.670 1.00 0.00 H new ATOM 782 N TYR A 52 25.790 0.762 -15.154 1.00 0.00 N ATOM 783 CA TYR A 52 24.753 -0.245 -15.323 1.00 0.00 C ATOM 784 C TYR A 52 23.588 0.102 -14.395 1.00 0.00 C ATOM 785 O TYR A 52 23.792 0.592 -13.283 1.00 0.00 O ATOM 786 CB TYR A 52 25.283 -1.665 -15.053 1.00 0.00 C ATOM 787 CG TYR A 52 26.376 -1.791 -14.007 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.699 -1.474 -14.360 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.083 -2.230 -12.704 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.733 -1.582 -13.413 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.111 -2.350 -11.750 1.00 0.00 C ATOM 792 CZ TYR A 52 28.442 -2.022 -12.100 1.00 0.00 C ATOM 793 OH TYR A 52 29.450 -2.128 -11.189 1.00 0.00 O ATOM 0 H TYR A 52 25.870 1.077 -14.187 1.00 0.00 H new ATOM 0 HA TYR A 52 24.413 -0.241 -16.359 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.444 -2.290 -14.747 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.659 -2.073 -15.991 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.923 -1.146 -15.364 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.067 -2.476 -12.434 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.747 -1.330 -13.687 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.884 -2.692 -10.751 1.00 0.00 H new ATOM 0 HH TYR A 52 29.087 -2.442 -10.335 1.00 0.00 H new ATOM 803 N HIS A 53 22.360 -0.177 -14.843 1.00 0.00 N ATOM 804 CA HIS A 53 21.121 0.199 -14.153 1.00 0.00 C ATOM 805 C HIS A 53 21.005 -0.475 -12.781 1.00 0.00 C ATOM 806 O HIS A 53 20.435 0.099 -11.853 1.00 0.00 O ATOM 807 CB HIS A 53 19.895 -0.164 -15.012 1.00 0.00 C ATOM 808 CG HIS A 53 20.053 0.149 -16.479 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.630 1.280 -17.142 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.669 -0.655 -17.401 1.00 0.00 C ATOM 811 CE1 HIS A 53 19.993 1.150 -18.431 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.639 -0.010 -18.636 1.00 0.00 N ATOM 0 H HIS A 53 22.196 -0.681 -15.714 1.00 0.00 H new ATOM 0 HA HIS A 53 21.152 1.278 -13.999 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.689 -1.228 -14.899 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.026 0.371 -14.629 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.133 2.070 -16.731 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.104 -1.624 -17.204 1.00 0.00 H new ATOM 0 HE1 HIS A 53 19.792 1.882 -19.200 1.00 0.00 H new ATOM 820 N ALA A 54 21.559 -1.683 -12.632 1.00 0.00 N ATOM 821 CA ALA A 54 21.568 -2.379 -11.352 1.00 0.00 C ATOM 822 C ALA A 54 22.323 -1.579 -10.285 1.00 0.00 C ATOM 823 O ALA A 54 21.978 -1.674 -9.108 1.00 0.00 O ATOM 824 CB ALA A 54 22.165 -3.779 -11.517 1.00 0.00 C ATOM 0 H ALA A 54 22.008 -2.197 -13.390 1.00 0.00 H new ATOM 0 HA ALA A 54 20.538 -2.479 -11.011 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.167 -4.290 -10.554 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.567 -4.348 -12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.187 -3.697 -11.886 1.00 0.00 H new ATOM 830 N ASP A 55 23.322 -0.773 -10.677 1.00 0.00 N ATOM 831 CA ASP A 55 24.096 0.018 -9.722 1.00 0.00 C ATOM 832 C ASP A 55 23.212 1.065 -9.052 1.00 0.00 C ATOM 833 O ASP A 55 23.229 1.201 -7.830 1.00 0.00 O ATOM 834 CB ASP A 55 25.273 0.731 -10.396 1.00 0.00 C ATOM 835 CG ASP A 55 26.270 1.212 -9.332 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.994 0.369 -8.756 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.345 2.432 -9.083 1.00 0.00 O ATOM 0 H ASP A 55 23.609 -0.656 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 55 24.484 -0.677 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.769 0.055 -11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.911 1.579 -10.978 1.00 0.00 H new ATOM 842 N ILE A 56 22.395 1.770 -9.844 1.00 0.00 N ATOM 843 CA ILE A 56 21.469 2.772 -9.325 1.00 0.00 C ATOM 844 C ILE A 56 20.305 2.104 -8.606 1.00 0.00 C ATOM 845 O ILE A 56 19.897 2.635 -7.577 1.00 0.00 O ATOM 846 CB ILE A 56 20.950 3.784 -10.381 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.040 3.301 -11.849 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.590 5.153 -10.114 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.848 4.377 -12.910 1.00 0.00 C ATOM 0 H ILE A 56 22.360 1.659 -10.857 1.00 0.00 H new ATOM 0 HA ILE A 56 22.051 3.365 -8.619 1.00 0.00 H new ATOM 0 HB ILE A 56 19.871 3.880 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.014 2.837 -12.001 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.290 2.526 -12.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.232 5.872 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.319 5.493 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.674 5.068 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.931 3.930 -13.901 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.862 4.828 -12.796 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.614 5.144 -12.793 1.00 0.00 H new ATOM 861 N TYR A 57 19.783 0.962 -9.073 1.00 0.00 N ATOM 862 CA TYR A 57 18.730 0.285 -8.323 1.00 0.00 C ATOM 863 C TYR A 57 19.238 -0.042 -6.912 1.00 0.00 C ATOM 864 O TYR A 57 18.549 0.254 -5.937 1.00 0.00 O ATOM 865 CB TYR A 57 18.231 -0.980 -9.033 1.00 0.00 C ATOM 866 CG TYR A 57 17.198 -1.732 -8.205 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.054 -1.064 -7.720 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.416 -3.078 -7.851 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.146 -1.723 -6.875 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.505 -3.748 -7.014 1.00 0.00 C ATOM 871 CZ TYR A 57 15.372 -3.071 -6.507 1.00 0.00 C ATOM 872 OH TYR A 57 14.522 -3.730 -5.667 1.00 0.00 O ATOM 0 H TYR A 57 20.065 0.503 -9.939 1.00 0.00 H new ATOM 0 HA TYR A 57 17.876 0.959 -8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.796 -0.708 -9.994 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.076 -1.636 -9.240 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.875 -0.037 -8.001 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.286 -3.598 -8.224 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.275 -1.201 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.672 -4.784 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 57 13.804 -3.124 -5.387 1.00 0.00 H new ATOM 882 N ASP A 58 20.455 -0.584 -6.790 1.00 0.00 N ATOM 883 CA ASP A 58 21.046 -0.916 -5.497 1.00 0.00 C ATOM 884 C ASP A 58 21.325 0.335 -4.659 1.00 0.00 C ATOM 885 O ASP A 58 20.921 0.388 -3.497 1.00 0.00 O ATOM 886 CB ASP A 58 22.337 -1.717 -5.683 1.00 0.00 C ATOM 887 CG ASP A 58 22.978 -2.025 -4.320 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.482 -2.924 -3.605 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.996 -1.389 -3.967 1.00 0.00 O ATOM 0 H ASP A 58 21.054 -0.803 -7.586 1.00 0.00 H new ATOM 0 HA ASP A 58 20.320 -1.525 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.123 -2.647 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.036 -1.154 -6.302 1.00 0.00 H new ATOM 894 N LYS A 59 21.962 1.359 -5.245 1.00 0.00 N ATOM 895 CA LYS A 59 22.275 2.618 -4.564 1.00 0.00 C ATOM 896 C LYS A 59 21.000 3.230 -3.996 1.00 0.00 C ATOM 897 O LYS A 59 20.927 3.535 -2.804 1.00 0.00 O ATOM 898 CB LYS A 59 22.944 3.588 -5.560 1.00 0.00 C ATOM 899 CG LYS A 59 23.318 4.953 -4.949 1.00 0.00 C ATOM 900 CD LYS A 59 24.692 5.001 -4.264 1.00 0.00 C ATOM 901 CE LYS A 59 25.845 4.825 -5.267 1.00 0.00 C ATOM 902 NZ LYS A 59 27.175 4.937 -4.618 1.00 0.00 N ATOM 0 H LYS A 59 22.276 1.333 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 59 22.963 2.427 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 23.845 3.120 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.271 3.750 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.295 5.706 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 59 22.556 5.230 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.805 5.953 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 59 24.747 4.218 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.759 3.851 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.761 5.578 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 27.921 4.812 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.269 5.875 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.268 4.202 -3.888 1.00 0.00 H new ATOM 916 N VAL A 60 20.008 3.426 -4.859 1.00 0.00 N ATOM 917 CA VAL A 60 18.806 4.152 -4.511 1.00 0.00 C ATOM 918 C VAL A 60 18.003 3.319 -3.520 1.00 0.00 C ATOM 919 O VAL A 60 17.580 3.873 -2.512 1.00 0.00 O ATOM 920 CB VAL A 60 18.039 4.564 -5.777 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.769 5.332 -5.389 1.00 0.00 C ATOM 922 CG2 VAL A 60 18.905 5.482 -6.662 1.00 0.00 C ATOM 0 H VAL A 60 20.022 3.083 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 60 19.041 5.092 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 60 17.784 3.658 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.229 5.622 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.133 4.696 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.041 6.225 -4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.344 5.763 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.172 6.379 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 60 19.812 4.954 -6.956 1.00 0.00 H new ATOM 932 N SER A 61 17.856 2.005 -3.716 1.00 0.00 N ATOM 933 CA SER A 61 17.166 1.172 -2.738 1.00 0.00 C ATOM 934 C SER A 61 17.887 1.177 -1.388 1.00 0.00 C ATOM 935 O SER A 61 17.227 1.031 -0.361 1.00 0.00 O ATOM 936 CB SER A 61 16.989 -0.255 -3.255 1.00 0.00 C ATOM 937 OG SER A 61 16.315 -0.226 -4.493 1.00 0.00 O ATOM 0 H SER A 61 18.202 1.504 -4.534 1.00 0.00 H new ATOM 0 HA SER A 61 16.176 1.602 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.961 -0.735 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.424 -0.847 -2.535 1.00 0.00 H new ATOM 0 HG SER A 61 16.959 -0.055 -5.212 1.00 0.00 H new ATOM 943 N GLY A 62 19.209 1.360 -1.351 1.00 0.00 N ATOM 944 CA GLY A 62 19.954 1.519 -0.112 1.00 0.00 C ATOM 945 C GLY A 62 19.532 2.797 0.609 1.00 0.00 C ATOM 946 O GLY A 62 19.165 2.742 1.783 1.00 0.00 O ATOM 0 H GLY A 62 19.791 1.401 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.784 0.658 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 62 21.022 1.551 -0.325 1.00 0.00 H new ATOM 950 N ASP A 63 19.525 3.938 -0.089 1.00 0.00 N ATOM 951 CA ASP A 63 19.120 5.212 0.504 1.00 0.00 C ATOM 952 C ASP A 63 17.653 5.171 0.929 1.00 0.00 C ATOM 953 O ASP A 63 17.324 5.541 2.054 1.00 0.00 O ATOM 954 CB ASP A 63 19.356 6.385 -0.452 1.00 0.00 C ATOM 955 CG ASP A 63 19.067 7.717 0.262 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.904 8.176 0.262 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.021 8.304 0.824 1.00 0.00 O ATOM 0 H ASP A 63 19.797 4.002 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 63 19.741 5.367 1.386 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.386 6.371 -0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.714 6.286 -1.327 1.00 0.00 H new ATOM 962 N MET A 64 16.776 4.644 0.073 1.00 0.00 N ATOM 963 CA MET A 64 15.371 4.449 0.395 1.00 0.00 C ATOM 964 C MET A 64 15.203 3.590 1.645 1.00 0.00 C ATOM 965 O MET A 64 14.436 3.969 2.524 1.00 0.00 O ATOM 966 CB MET A 64 14.649 3.822 -0.803 1.00 0.00 C ATOM 967 CG MET A 64 14.519 4.756 -2.017 1.00 0.00 C ATOM 968 SD MET A 64 13.652 6.318 -1.720 1.00 0.00 S ATOM 969 CE MET A 64 15.091 7.396 -1.512 1.00 0.00 C ATOM 0 H MET A 64 17.027 4.340 -0.868 1.00 0.00 H new ATOM 0 HA MET A 64 14.925 5.420 0.608 1.00 0.00 H new ATOM 0 HB2 MET A 64 15.185 2.922 -1.106 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.653 3.510 -0.490 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.519 4.982 -2.387 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.000 4.219 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.770 8.358 -1.111 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.796 6.932 -0.822 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.574 7.548 -2.477 1.00 0.00 H new ATOM 979 N GLN A 65 15.919 2.472 1.787 1.00 0.00 N ATOM 980 CA GLN A 65 15.801 1.615 2.960 1.00 0.00 C ATOM 981 C GLN A 65 16.392 2.263 4.216 1.00 0.00 C ATOM 982 O GLN A 65 15.885 2.017 5.309 1.00 0.00 O ATOM 983 CB GLN A 65 16.486 0.271 2.682 1.00 0.00 C ATOM 984 CG GLN A 65 15.608 -0.678 1.853 1.00 0.00 C ATOM 985 CD GLN A 65 16.390 -1.909 1.399 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.209 -3.014 1.905 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.287 -1.738 0.442 1.00 0.00 N ATOM 0 H GLN A 65 16.591 2.141 1.095 1.00 0.00 H new ATOM 0 HA GLN A 65 14.740 1.458 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.423 0.447 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.738 -0.207 3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.748 -0.990 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.221 -0.150 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.426 -0.814 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.840 -2.530 0.114 1.00 0.00 H new ATOM 996 N LYS A 66 17.418 3.113 4.094 1.00 0.00 N ATOM 997 CA LYS A 66 17.903 3.934 5.203 1.00 0.00 C ATOM 998 C LYS A 66 16.795 4.887 5.663 1.00 0.00 C ATOM 999 O LYS A 66 16.566 5.010 6.868 1.00 0.00 O ATOM 1000 CB LYS A 66 19.173 4.658 4.734 1.00 0.00 C ATOM 1001 CG LYS A 66 19.730 5.715 5.702 1.00 0.00 C ATOM 1002 CD LYS A 66 20.878 6.495 5.042 1.00 0.00 C ATOM 1003 CE LYS A 66 20.361 7.401 3.910 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.444 8.109 3.190 1.00 0.00 N ATOM 0 H LYS A 66 17.933 3.249 3.224 1.00 0.00 H new ATOM 0 HA LYS A 66 18.162 3.328 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.948 3.913 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.963 5.140 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.937 6.402 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.086 5.232 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.387 7.101 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.614 5.796 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.795 6.798 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.670 8.134 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.137 8.316 2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.663 8.999 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.294 7.510 3.164 1.00 0.00 H new ATOM 1018 N GLN A 67 16.075 5.522 4.729 1.00 0.00 N ATOM 1019 CA GLN A 67 14.890 6.308 5.073 1.00 0.00 C ATOM 1020 C GLN A 67 13.807 5.405 5.675 1.00 0.00 C ATOM 1021 O GLN A 67 13.136 5.813 6.618 1.00 0.00 O ATOM 1022 CB GLN A 67 14.377 7.112 3.862 1.00 0.00 C ATOM 1023 CG GLN A 67 15.412 8.141 3.371 1.00 0.00 C ATOM 1024 CD GLN A 67 14.847 9.118 2.336 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.794 9.721 2.532 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.532 9.332 1.223 1.00 0.00 N ATOM 0 H GLN A 67 16.294 5.505 3.733 1.00 0.00 H new ATOM 0 HA GLN A 67 15.167 7.039 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.133 6.427 3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.455 7.626 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.788 8.704 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.262 7.614 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.406 8.833 1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.186 9.996 0.531 1.00 0.00 H new ATOM 1035 N GLY A 68 13.670 4.171 5.187 1.00 0.00 N ATOM 1036 CA GLY A 68 12.848 3.088 5.735 1.00 0.00 C ATOM 1037 C GLY A 68 12.001 2.372 4.673 1.00 0.00 C ATOM 1038 O GLY A 68 11.333 1.387 4.984 1.00 0.00 O ATOM 0 H GLY A 68 14.163 3.881 4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.496 2.361 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.189 3.494 6.502 1.00 0.00 H new ATOM 1042 N CYS A 69 11.998 2.877 3.438 1.00 0.00 N ATOM 1043 CA CYS A 69 11.160 2.425 2.337 1.00 0.00 C ATOM 1044 C CYS A 69 11.582 1.043 1.822 1.00 0.00 C ATOM 1045 O CYS A 69 12.643 0.524 2.164 1.00 0.00 O ATOM 1046 CB CYS A 69 11.256 3.463 1.210 1.00 0.00 C ATOM 1047 SG CYS A 69 10.292 4.935 1.632 1.00 0.00 S ATOM 0 H CYS A 69 12.610 3.648 3.171 1.00 0.00 H new ATOM 0 HA CYS A 69 10.133 2.329 2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.298 3.737 1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.888 3.034 0.278 1.00 0.00 H new ATOM 0 HG CYS A 69 9.027 4.688 1.465 1.00 0.00 H new ATOM 1053 N ASP A 70 10.763 0.488 0.931 1.00 0.00 N ATOM 1054 CA ASP A 70 11.045 -0.707 0.135 1.00 0.00 C ATOM 1055 C ASP A 70 10.768 -0.310 -1.315 1.00 0.00 C ATOM 1056 O ASP A 70 9.931 0.577 -1.540 1.00 0.00 O ATOM 1057 CB ASP A 70 10.172 -1.881 0.584 1.00 0.00 C ATOM 1058 CG ASP A 70 10.394 -3.113 -0.307 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.563 -3.502 -0.527 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.398 -3.708 -0.774 1.00 0.00 O ATOM 0 H ASP A 70 9.841 0.877 0.734 1.00 0.00 H new ATOM 0 HA ASP A 70 12.074 -1.044 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.401 -2.132 1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.122 -1.590 0.551 1.00 0.00 H new ATOM 1065 N CYS A 71 11.475 -0.893 -2.289 1.00 0.00 N ATOM 1066 CA CYS A 71 11.450 -0.409 -3.667 1.00 0.00 C ATOM 1067 C CYS A 71 11.629 -1.503 -4.720 1.00 0.00 C ATOM 1068 O CYS A 71 12.128 -2.589 -4.425 1.00 0.00 O ATOM 1069 CB CYS A 71 12.589 0.603 -3.862 1.00 0.00 C ATOM 1070 SG CYS A 71 12.577 1.902 -2.600 1.00 0.00 S ATOM 0 H CYS A 71 12.074 -1.706 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 71 10.462 0.029 -3.811 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.545 0.081 -3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.503 1.057 -4.849 1.00 0.00 H new ATOM 0 HG CYS A 71 13.301 1.529 -1.587 1.00 0.00 H new ATOM 1076 N GLU A 72 11.308 -1.174 -5.976 1.00 0.00 N ATOM 1077 CA GLU A 72 11.410 -2.066 -7.129 1.00 0.00 C ATOM 1078 C GLU A 72 11.766 -1.226 -8.354 1.00 0.00 C ATOM 1079 O GLU A 72 11.059 -0.266 -8.656 1.00 0.00 O ATOM 1080 CB GLU A 72 10.056 -2.754 -7.397 1.00 0.00 C ATOM 1081 CG GLU A 72 9.621 -3.796 -6.356 1.00 0.00 C ATOM 1082 CD GLU A 72 10.560 -5.016 -6.234 1.00 0.00 C ATOM 1083 OE1 GLU A 72 11.297 -5.347 -7.192 1.00 0.00 O ATOM 1084 OE2 GLU A 72 10.518 -5.706 -5.189 1.00 0.00 O ATOM 0 H GLU A 72 10.959 -0.248 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 72 12.168 -2.824 -6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.285 -1.986 -7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.102 -3.239 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.550 -3.310 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.621 -4.148 -6.610 1.00 0.00 H new ATOM 1091 N CYS A 73 12.846 -1.558 -9.066 1.00 0.00 N ATOM 1092 CA CYS A 73 13.141 -0.970 -10.366 1.00 0.00 C ATOM 1093 C CYS A 73 12.064 -1.472 -11.338 1.00 0.00 C ATOM 1094 O CYS A 73 12.012 -2.666 -11.644 1.00 0.00 O ATOM 1095 CB CYS A 73 14.552 -1.353 -10.838 1.00 0.00 C ATOM 1096 SG CYS A 73 14.901 -3.106 -10.502 1.00 0.00 S ATOM 0 H CYS A 73 13.536 -2.241 -8.754 1.00 0.00 H new ATOM 0 HA CYS A 73 13.125 0.119 -10.313 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.647 -1.158 -11.906 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.290 -0.729 -10.333 1.00 0.00 H new ATOM 0 HG CYS A 73 15.705 -3.570 -11.412 1.00 0.00 H new ATOM 1102 N LEU A 74 11.184 -0.585 -11.805 1.00 0.00 N ATOM 1103 CA LEU A 74 10.148 -0.939 -12.769 1.00 0.00 C ATOM 1104 C LEU A 74 10.758 -1.170 -14.157 1.00 0.00 C ATOM 1105 O LEU A 74 10.183 -1.897 -14.969 1.00 0.00 O ATOM 1106 CB LEU A 74 9.077 0.162 -12.831 1.00 0.00 C ATOM 1107 CG LEU A 74 8.320 0.418 -11.512 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.172 1.395 -11.785 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.756 -0.860 -10.872 1.00 0.00 C ATOM 0 H LEU A 74 11.171 0.396 -11.525 1.00 0.00 H new ATOM 0 HA LEU A 74 9.676 -1.866 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.552 1.091 -13.145 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.353 -0.101 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 74 9.038 0.831 -10.804 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.628 1.585 -10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.575 2.333 -12.168 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.495 0.964 -12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.236 -0.606 -9.948 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.058 -1.335 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.573 -1.547 -10.651 1.00 0.00 H new ATOM 1121 N GLY A 75 11.916 -0.568 -14.427 1.00 0.00 N ATOM 1122 CA GLY A 75 12.678 -0.708 -15.656 1.00 0.00 C ATOM 1123 C GLY A 75 13.798 0.324 -15.649 1.00 0.00 C ATOM 1124 O GLY A 75 14.006 1.019 -14.646 1.00 0.00 O ATOM 0 H GLY A 75 12.365 0.059 -13.759 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.090 -1.714 -15.734 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.032 -0.560 -16.521 1.00 0.00 H new ATOM 1128 N GLY A 76 14.477 0.486 -16.780 1.00 0.00 N ATOM 1129 CA GLY A 76 15.451 1.546 -16.974 1.00 0.00 C ATOM 1130 C GLY A 76 15.677 1.795 -18.458 1.00 0.00 C ATOM 1131 O GLY A 76 14.993 1.210 -19.304 1.00 0.00 O ATOM 0 H GLY A 76 14.363 -0.121 -17.592 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.103 2.461 -16.494 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.393 1.275 -16.497 1.00 0.00 H new ATOM 1135 N GLY A 77 16.640 2.659 -18.762 1.00 0.00 N ATOM 1136 CA GLY A 77 16.965 3.097 -20.109 1.00 0.00 C ATOM 1137 C GLY A 77 18.200 3.988 -20.065 1.00 0.00 C ATOM 1138 O GLY A 77 18.890 4.051 -19.041 1.00 0.00 O ATOM 0 H GLY A 77 17.234 3.086 -18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.147 2.235 -20.750 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.125 3.642 -20.539 1.00 0.00 H new ATOM 1142 N ARG A 78 18.479 4.699 -21.153 1.00 0.00 N ATOM 1143 CA ARG A 78 19.637 5.579 -21.261 1.00 0.00 C ATOM 1144 C ARG A 78 19.138 7.003 -21.449 1.00 0.00 C ATOM 1145 O ARG A 78 18.068 7.228 -22.024 1.00 0.00 O ATOM 1146 CB ARG A 78 20.554 5.111 -22.410 1.00 0.00 C ATOM 1147 CG ARG A 78 21.935 5.788 -22.354 1.00 0.00 C ATOM 1148 CD ARG A 78 22.906 5.310 -23.435 1.00 0.00 C ATOM 1149 NE ARG A 78 22.508 5.776 -24.781 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.093 5.005 -25.798 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.013 3.687 -25.668 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.742 5.554 -26.953 1.00 0.00 N ATOM 0 H ARG A 78 17.901 4.680 -21.993 1.00 0.00 H new ATOM 0 HA ARG A 78 20.240 5.545 -20.354 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.678 4.029 -22.358 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.080 5.332 -23.366 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.804 6.866 -22.449 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.378 5.605 -21.375 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.909 5.672 -23.208 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.951 4.221 -23.427 1.00 0.00 H new ATOM 0 HE ARG A 78 22.553 6.780 -24.953 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.269 3.245 -24.785 1.00 0.00 H new ATOM 0 HH12 ARG A 78 21.696 3.116 -26.451 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.787 6.566 -27.071 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.427 4.964 -27.723 1.00 0.00 H new ATOM 1166 N ILE A 79 19.930 7.956 -20.975 1.00 0.00 N ATOM 1167 CA ILE A 79 19.712 9.375 -21.151 1.00 0.00 C ATOM 1168 C ILE A 79 20.933 9.869 -21.917 1.00 0.00 C ATOM 1169 O ILE A 79 22.062 9.423 -21.692 1.00 0.00 O ATOM 1170 CB ILE A 79 19.468 10.052 -19.783 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.146 9.498 -19.192 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.403 11.585 -19.941 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.643 10.154 -17.900 1.00 0.00 C ATOM 0 H ILE A 79 20.772 7.748 -20.438 1.00 0.00 H new ATOM 0 HA ILE A 79 18.816 9.622 -21.720 1.00 0.00 H new ATOM 0 HB ILE A 79 20.292 9.830 -19.105 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.368 9.595 -19.949 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.277 8.432 -19.004 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.231 12.044 -18.968 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.345 11.949 -20.352 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.588 11.847 -20.615 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.713 9.679 -17.589 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.391 10.035 -17.116 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.467 11.215 -18.075 1.00 0.00 H new ATOM 1185 N SER A 80 20.700 10.716 -22.909 1.00 0.00 N ATOM 1186 CA SER A 80 21.707 11.121 -23.873 1.00 0.00 C ATOM 1187 C SER A 80 21.324 12.476 -24.466 1.00 0.00 C ATOM 1188 O SER A 80 20.173 12.903 -24.366 1.00 0.00 O ATOM 1189 CB SER A 80 21.761 10.049 -24.976 1.00 0.00 C ATOM 1190 OG SER A 80 22.394 8.857 -24.523 1.00 0.00 O ATOM 0 H SER A 80 19.789 11.147 -23.067 1.00 0.00 H new ATOM 0 HA SER A 80 22.684 11.216 -23.399 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.749 9.819 -25.310 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.300 10.442 -25.839 1.00 0.00 H new ATOM 0 HG SER A 80 22.525 8.904 -23.553 1.00 0.00 H new ATOM 1333 N HIS A 89 17.512 13.652 -23.671 1.00 0.00 N ATOM 1334 CA HIS A 89 16.428 12.832 -24.189 1.00 0.00 C ATOM 1335 C HIS A 89 16.532 11.457 -23.526 1.00 0.00 C ATOM 1336 O HIS A 89 17.632 11.053 -23.135 1.00 0.00 O ATOM 1337 CB HIS A 89 16.602 12.754 -25.712 1.00 0.00 C ATOM 1338 CG HIS A 89 15.504 12.030 -26.446 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.378 12.602 -26.992 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.489 10.705 -26.785 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.709 11.646 -27.657 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.345 10.464 -27.554 1.00 0.00 N ATOM 0 HA HIS A 89 15.442 13.243 -23.973 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.674 13.768 -26.106 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.549 12.260 -25.929 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.232 9.972 -26.507 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.788 11.804 -28.199 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.052 9.573 -27.955 1.00 0.00 H new ATOM 1350 N VAL A 90 15.414 10.740 -23.403 1.00 0.00 N ATOM 1351 CA VAL A 90 15.314 9.488 -22.653 1.00 0.00 C ATOM 1352 C VAL A 90 14.835 8.407 -23.625 1.00 0.00 C ATOM 1353 O VAL A 90 13.831 8.598 -24.308 1.00 0.00 O ATOM 1354 CB VAL A 90 14.336 9.660 -21.465 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.407 8.447 -20.526 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.583 10.942 -20.645 1.00 0.00 C ATOM 0 H VAL A 90 14.532 11.021 -23.832 1.00 0.00 H new ATOM 0 HA VAL A 90 16.279 9.201 -22.234 1.00 0.00 H new ATOM 0 HB VAL A 90 13.344 9.742 -21.910 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.713 8.587 -19.698 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.139 7.545 -21.076 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.420 8.347 -20.137 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.862 10.997 -19.830 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.593 10.923 -20.235 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.469 11.814 -21.289 1.00 0.00 H new ATOM 1366 N TYR A 91 15.548 7.285 -23.729 1.00 0.00 N ATOM 1367 CA TYR A 91 15.217 6.214 -24.670 1.00 0.00 C ATOM 1368 C TYR A 91 15.891 4.901 -24.249 1.00 0.00 C ATOM 1369 O TYR A 91 16.415 4.798 -23.136 1.00 0.00 O ATOM 1370 CB TYR A 91 15.567 6.650 -26.111 1.00 0.00 C ATOM 1371 CG TYR A 91 16.985 7.100 -26.437 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.074 6.900 -25.563 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.205 7.739 -27.672 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.357 7.336 -25.919 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.494 8.138 -28.056 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.582 7.937 -27.178 1.00 0.00 C ATOM 1377 OH TYR A 91 20.848 8.291 -27.541 1.00 0.00 O ATOM 0 H TYR A 91 16.374 7.093 -23.162 1.00 0.00 H new ATOM 0 HA TYR A 91 14.144 6.023 -24.652 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.330 5.816 -26.771 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.896 7.467 -26.377 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.918 6.408 -24.614 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.371 7.924 -28.332 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.178 7.212 -25.228 1.00 0.00 H new ATOM 0 HE2 TYR A 91 18.654 8.598 -29.020 1.00 0.00 H new ATOM 0 HH TYR A 91 20.832 8.690 -28.436 1.00 0.00 H new ATOM 1387 N GLY A 92 15.927 3.908 -25.138 1.00 0.00 N ATOM 1388 CA GLY A 92 16.557 2.626 -24.875 1.00 0.00 C ATOM 1389 C GLY A 92 15.770 1.806 -23.857 1.00 0.00 C ATOM 1390 O GLY A 92 14.575 2.020 -23.641 1.00 0.00 O ATOM 0 H GLY A 92 15.514 3.978 -26.068 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.642 2.065 -25.806 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.570 2.788 -24.506 1.00 0.00 H new ATOM 1394 N TYR A 93 16.451 0.827 -23.268 1.00 0.00 N ATOM 1395 CA TYR A 93 15.905 -0.118 -22.305 1.00 0.00 C ATOM 1396 C TYR A 93 17.050 -0.609 -21.421 1.00 0.00 C ATOM 1397 O TYR A 93 18.206 -0.594 -21.859 1.00 0.00 O ATOM 1398 CB TYR A 93 15.246 -1.302 -23.039 1.00 0.00 C ATOM 1399 CG TYR A 93 16.157 -2.108 -23.952 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.405 -1.675 -25.270 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.752 -3.299 -23.489 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.258 -2.411 -26.112 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.606 -4.041 -24.323 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.868 -3.596 -25.641 1.00 0.00 C ATOM 1405 OH TYR A 93 18.693 -4.301 -26.466 1.00 0.00 O ATOM 0 H TYR A 93 17.440 0.666 -23.458 1.00 0.00 H new ATOM 0 HA TYR A 93 15.142 0.364 -21.693 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.822 -1.976 -22.294 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.415 -0.920 -23.632 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.937 -0.773 -25.636 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.550 -3.644 -22.486 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.447 -2.070 -27.119 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.062 -4.950 -23.959 1.00 0.00 H new ATOM 0 HH TYR A 93 19.033 -5.089 -25.993 1.00 0.00 H new ATOM 1415 N SER A 94 16.754 -1.057 -20.200 1.00 0.00 N ATOM 1416 CA SER A 94 17.752 -1.735 -19.387 1.00 0.00 C ATOM 1417 C SER A 94 17.818 -3.194 -19.827 1.00 0.00 C ATOM 1418 O SER A 94 16.781 -3.842 -19.978 1.00 0.00 O ATOM 1419 CB SER A 94 17.457 -1.568 -17.890 1.00 0.00 C ATOM 1420 OG SER A 94 16.284 -2.230 -17.462 1.00 0.00 O ATOM 0 H SER A 94 15.839 -0.962 -19.760 1.00 0.00 H new ATOM 0 HA SER A 94 18.734 -1.286 -19.538 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.305 -1.945 -17.318 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.367 -0.506 -17.663 1.00 0.00 H new ATOM 0 HG SER A 94 15.538 -1.986 -18.049 1.00 0.00 H new ATOM 1426 N MET A 95 19.021 -3.740 -20.007 1.00 0.00 N ATOM 1427 CA MET A 95 19.179 -5.178 -20.219 1.00 0.00 C ATOM 1428 C MET A 95 18.746 -5.961 -18.969 1.00 0.00 C ATOM 1429 O MET A 95 18.287 -7.100 -19.079 1.00 0.00 O ATOM 1430 CB MET A 95 20.620 -5.517 -20.654 1.00 0.00 C ATOM 1431 CG MET A 95 21.697 -5.423 -19.559 1.00 0.00 C ATOM 1432 SD MET A 95 21.926 -3.819 -18.734 1.00 0.00 S ATOM 1433 CE MET A 95 22.607 -2.827 -20.093 1.00 0.00 C ATOM 0 H MET A 95 19.894 -3.212 -20.010 1.00 0.00 H new ATOM 0 HA MET A 95 18.523 -5.485 -21.034 1.00 0.00 H new ATOM 0 HB2 MET A 95 20.628 -6.530 -21.057 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.899 -4.848 -21.468 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.463 -6.163 -18.794 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.651 -5.712 -20.001 1.00 0.00 H new ATOM 0 HE1 MET A 95 22.801 -1.813 -19.742 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.538 -3.275 -20.440 1.00 0.00 H new ATOM 0 HE3 MET A 95 21.891 -2.796 -20.915 1.00 0.00 H new ATOM 1443 N ALA A 96 18.886 -5.352 -17.783 1.00 0.00 N ATOM 1444 CA ALA A 96 18.619 -5.994 -16.506 1.00 0.00 C ATOM 1445 C ALA A 96 17.121 -6.088 -16.191 1.00 0.00 C ATOM 1446 O ALA A 96 16.695 -7.112 -15.652 1.00 0.00 O ATOM 1447 CB ALA A 96 19.335 -5.211 -15.398 1.00 0.00 C ATOM 0 H ALA A 96 19.193 -4.384 -17.692 1.00 0.00 H new ATOM 0 HA ALA A 96 18.994 -7.016 -16.563 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.142 -5.684 -14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.408 -5.206 -15.591 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.965 -4.186 -15.380 1.00 0.00 H new ATOM 1453 N TYR A 97 16.322 -5.065 -16.532 1.00 0.00 N ATOM 1454 CA TYR A 97 14.933 -4.950 -16.074 1.00 0.00 C ATOM 1455 C TYR A 97 13.946 -4.570 -17.189 1.00 0.00 C ATOM 1456 O TYR A 97 12.749 -4.439 -16.920 1.00 0.00 O ATOM 1457 CB TYR A 97 14.868 -3.929 -14.920 1.00 0.00 C ATOM 1458 CG TYR A 97 15.937 -4.076 -13.848 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.014 -5.257 -13.083 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.865 -3.037 -13.627 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.011 -5.405 -12.104 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.856 -3.172 -12.638 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.932 -4.357 -11.870 1.00 0.00 C ATOM 1464 OH TYR A 97 18.892 -4.483 -10.911 1.00 0.00 O ATOM 0 H TYR A 97 16.622 -4.297 -17.132 1.00 0.00 H new ATOM 0 HA TYR A 97 14.622 -5.936 -15.730 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.938 -2.926 -15.342 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.890 -4.007 -14.445 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.303 -6.053 -13.250 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.814 -2.135 -14.219 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.074 -6.318 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.559 -2.371 -12.465 1.00 0.00 H new ATOM 0 HH TYR A 97 19.136 -5.427 -10.815 1.00 0.00 H new ATOM 1474 N GLY A 98 14.406 -4.411 -18.433 1.00 0.00 N ATOM 1475 CA GLY A 98 13.575 -4.018 -19.563 1.00 0.00 C ATOM 1476 C GLY A 98 13.393 -2.499 -19.638 1.00 0.00 C ATOM 1477 O GLY A 98 13.991 -1.756 -18.847 1.00 0.00 O ATOM 0 H GLY A 98 15.384 -4.556 -18.682 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.028 -4.375 -20.488 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.599 -4.497 -19.480 1.00 0.00 H new ATOM 1481 N PRO A 99 12.610 -2.009 -20.612 1.00 0.00 N ATOM 1482 CA PRO A 99 12.320 -0.591 -20.746 1.00 0.00 C ATOM 1483 C PRO A 99 11.419 -0.122 -19.603 1.00 0.00 C ATOM 1484 O PRO A 99 10.423 -0.767 -19.266 1.00 0.00 O ATOM 1485 CB PRO A 99 11.629 -0.432 -22.106 1.00 0.00 C ATOM 1486 CG PRO A 99 10.992 -1.799 -22.355 1.00 0.00 C ATOM 1487 CD PRO A 99 11.935 -2.776 -21.651 1.00 0.00 C ATOM 0 HA PRO A 99 13.223 0.017 -20.695 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.880 0.360 -22.084 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.342 -0.175 -22.889 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.983 -1.851 -21.945 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.914 -2.016 -23.420 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.381 -3.611 -21.221 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.654 -3.198 -22.353 1.00 0.00 H new ATOM 1495 N ALA A 100 11.771 1.019 -19.014 1.00 0.00 N ATOM 1496 CA ALA A 100 10.917 1.724 -18.071 1.00 0.00 C ATOM 1497 C ALA A 100 9.779 2.435 -18.815 1.00 0.00 C ATOM 1498 O ALA A 100 9.792 2.556 -20.044 1.00 0.00 O ATOM 1499 CB ALA A 100 11.774 2.764 -17.353 1.00 0.00 C ATOM 0 H ALA A 100 12.665 1.481 -19.182 1.00 0.00 H new ATOM 0 HA ALA A 100 10.482 1.019 -17.362 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.160 3.310 -16.637 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.587 2.265 -16.826 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.188 3.461 -18.082 1.00 0.00 H new ATOM 1505 N GLN A 101 8.805 2.951 -18.058 1.00 0.00 N ATOM 1506 CA GLN A 101 7.784 3.850 -18.578 1.00 0.00 C ATOM 1507 C GLN A 101 8.443 5.225 -18.729 1.00 0.00 C ATOM 1508 O GLN A 101 8.283 6.088 -17.870 1.00 0.00 O ATOM 1509 CB GLN A 101 6.559 3.917 -17.647 1.00 0.00 C ATOM 1510 CG GLN A 101 5.728 2.629 -17.661 1.00 0.00 C ATOM 1511 CD GLN A 101 4.461 2.779 -16.817 1.00 0.00 C ATOM 1512 OE1 GLN A 101 3.351 2.865 -17.340 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.586 2.829 -15.499 1.00 0.00 N ATOM 0 H GLN A 101 8.707 2.752 -17.062 1.00 0.00 H new ATOM 0 HA GLN A 101 7.411 3.490 -19.537 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.893 4.117 -16.629 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.928 4.754 -17.945 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.457 2.379 -18.687 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.327 1.802 -17.279 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.509 2.757 -15.071 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.759 2.939 -14.912 1.00 0.00 H new ATOM 1522 N HIS A 102 9.218 5.432 -19.795 1.00 0.00 N ATOM 1523 CA HIS A 102 9.951 6.678 -20.027 1.00 0.00 C ATOM 1524 C HIS A 102 9.038 7.911 -20.104 1.00 0.00 C ATOM 1525 O HIS A 102 9.514 9.030 -19.914 1.00 0.00 O ATOM 1526 CB HIS A 102 10.815 6.534 -21.284 1.00 0.00 C ATOM 1527 CG HIS A 102 11.800 5.398 -21.174 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.814 4.232 -21.908 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.758 5.273 -20.207 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.757 3.431 -21.386 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.377 4.030 -20.360 1.00 0.00 N ATOM 0 H HIS A 102 9.356 4.735 -20.527 1.00 0.00 H new ATOM 0 HA HIS A 102 10.594 6.850 -19.164 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.171 6.371 -22.148 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.355 7.464 -21.460 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.215 4.016 -22.705 1.00 0.00 H new ATOM 0 HD2 HIS A 102 12.996 6.009 -19.454 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.985 2.438 -21.745 1.00 0.00 H new ATOM 1539 N ALA A 103 7.732 7.718 -20.327 1.00 0.00 N ATOM 1540 CA ALA A 103 6.728 8.767 -20.205 1.00 0.00 C ATOM 1541 C ALA A 103 6.748 9.393 -18.799 1.00 0.00 C ATOM 1542 O ALA A 103 6.610 10.609 -18.664 1.00 0.00 O ATOM 1543 CB ALA A 103 5.349 8.166 -20.498 1.00 0.00 C ATOM 0 H ALA A 103 7.344 6.815 -20.600 1.00 0.00 H new ATOM 0 HA ALA A 103 6.950 9.558 -20.921 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.588 8.941 -20.410 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.337 7.759 -21.509 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.140 7.370 -19.784 1.00 0.00 H new ATOM 1549 N ILE A 104 6.939 8.575 -17.752 1.00 0.00 N ATOM 1550 CA ILE A 104 7.080 9.047 -16.379 1.00 0.00 C ATOM 1551 C ILE A 104 8.313 9.933 -16.310 1.00 0.00 C ATOM 1552 O ILE A 104 8.227 11.039 -15.788 1.00 0.00 O ATOM 1553 CB ILE A 104 7.189 7.872 -15.373 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.970 6.927 -15.427 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.396 8.389 -13.934 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.692 7.541 -14.852 1.00 0.00 C ATOM 0 H ILE A 104 6.999 7.561 -17.843 1.00 0.00 H new ATOM 0 HA ILE A 104 6.191 9.612 -16.099 1.00 0.00 H new ATOM 0 HB ILE A 104 8.063 7.294 -15.673 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.790 6.639 -16.463 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.204 6.015 -14.878 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.469 7.543 -13.250 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.314 8.974 -13.886 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.551 9.015 -13.647 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.878 6.820 -14.923 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.853 7.804 -13.807 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.433 8.437 -15.416 1.00 0.00 H new ATOM 1568 N SER A 105 9.441 9.480 -16.853 1.00 0.00 N ATOM 1569 CA SER A 105 10.680 10.227 -16.826 1.00 0.00 C ATOM 1570 C SER A 105 10.483 11.618 -17.409 1.00 0.00 C ATOM 1571 O SER A 105 10.789 12.594 -16.733 1.00 0.00 O ATOM 1572 CB SER A 105 11.752 9.451 -17.582 1.00 0.00 C ATOM 1573 OG SER A 105 11.751 8.123 -17.100 1.00 0.00 O ATOM 0 H SER A 105 9.513 8.579 -17.325 1.00 0.00 H new ATOM 0 HA SER A 105 11.005 10.355 -15.793 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.551 9.468 -18.653 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.730 9.909 -17.434 1.00 0.00 H new ATOM 0 HG SER A 105 12.232 8.084 -16.247 1.00 0.00 H new ATOM 1579 N THR A 106 9.919 11.736 -18.609 1.00 0.00 N ATOM 1580 CA THR A 106 9.680 13.043 -19.203 1.00 0.00 C ATOM 1581 C THR A 106 8.744 13.900 -18.339 1.00 0.00 C ATOM 1582 O THR A 106 9.046 15.074 -18.126 1.00 0.00 O ATOM 1583 CB THR A 106 9.211 12.902 -20.661 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.247 11.881 -20.831 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.398 12.531 -21.553 1.00 0.00 C ATOM 0 H THR A 106 9.622 10.947 -19.183 1.00 0.00 H new ATOM 0 HA THR A 106 10.625 13.586 -19.232 1.00 0.00 H new ATOM 0 HB THR A 106 8.772 13.862 -20.931 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.805 11.703 -19.975 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.061 12.432 -22.585 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.157 13.311 -21.492 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.823 11.585 -21.218 1.00 0.00 H new ATOM 1593 N GLU A 107 7.664 13.336 -17.785 1.00 0.00 N ATOM 1594 CA GLU A 107 6.744 14.081 -16.931 1.00 0.00 C ATOM 1595 C GLU A 107 7.467 14.619 -15.689 1.00 0.00 C ATOM 1596 O GLU A 107 7.407 15.814 -15.388 1.00 0.00 O ATOM 1597 CB GLU A 107 5.533 13.202 -16.542 1.00 0.00 C ATOM 1598 CG GLU A 107 4.494 13.152 -17.672 1.00 0.00 C ATOM 1599 CD GLU A 107 3.247 12.343 -17.268 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.397 12.867 -16.512 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.079 11.189 -17.725 1.00 0.00 O ATOM 0 H GLU A 107 7.408 12.357 -17.917 1.00 0.00 H new ATOM 0 HA GLU A 107 6.370 14.938 -17.491 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.873 12.192 -16.313 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.071 13.596 -15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.198 14.167 -17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.944 12.707 -18.560 1.00 0.00 H new ATOM 1608 N LYS A 108 8.181 13.748 -14.975 1.00 0.00 N ATOM 1609 CA LYS A 108 8.819 14.083 -13.706 1.00 0.00 C ATOM 1610 C LYS A 108 10.010 15.013 -13.918 1.00 0.00 C ATOM 1611 O LYS A 108 10.163 15.987 -13.182 1.00 0.00 O ATOM 1612 CB LYS A 108 9.278 12.792 -13.014 1.00 0.00 C ATOM 1613 CG LYS A 108 8.151 11.825 -12.624 1.00 0.00 C ATOM 1614 CD LYS A 108 7.167 12.402 -11.591 1.00 0.00 C ATOM 1615 CE LYS A 108 6.711 11.325 -10.598 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.843 10.859 -9.762 1.00 0.00 N ATOM 0 H LYS A 108 8.333 12.782 -15.266 1.00 0.00 H new ATOM 0 HA LYS A 108 8.095 14.602 -13.078 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.970 12.271 -13.675 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.834 13.058 -12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.599 11.545 -13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.591 10.912 -12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.642 13.221 -11.051 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.300 12.818 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.923 11.724 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.284 10.482 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.817 9.822 -9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.740 11.153 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.767 11.275 -8.812 1.00 0.00 H new ATOM 1630 N ILE A 109 10.849 14.740 -14.919 1.00 0.00 N ATOM 1631 CA ILE A 109 12.019 15.559 -15.213 1.00 0.00 C ATOM 1632 C ILE A 109 11.537 16.952 -15.621 1.00 0.00 C ATOM 1633 O ILE A 109 12.082 17.925 -15.113 1.00 0.00 O ATOM 1634 CB ILE A 109 12.924 14.874 -16.268 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.535 13.557 -15.725 1.00 0.00 C ATOM 1636 CG2 ILE A 109 14.083 15.783 -16.717 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.149 12.666 -16.818 1.00 0.00 C ATOM 0 H ILE A 109 10.734 13.944 -15.547 1.00 0.00 H new ATOM 0 HA ILE A 109 12.650 15.669 -14.331 1.00 0.00 H new ATOM 0 HB ILE A 109 12.276 14.664 -17.119 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.304 13.799 -14.991 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.761 12.995 -15.203 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.690 15.260 -17.456 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.680 16.695 -17.157 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.700 16.038 -15.856 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.557 11.763 -16.364 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.379 12.394 -17.540 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.946 13.209 -17.325 1.00 0.00 H new ATOM 1649 N LYS A 110 10.496 17.104 -16.455 1.00 0.00 N ATOM 1650 CA LYS A 110 9.995 18.445 -16.776 1.00 0.00 C ATOM 1651 C LYS A 110 9.458 19.150 -15.527 1.00 0.00 C ATOM 1652 O LYS A 110 9.674 20.354 -15.390 1.00 0.00 O ATOM 1653 CB LYS A 110 8.934 18.400 -17.889 1.00 0.00 C ATOM 1654 CG LYS A 110 9.569 18.105 -19.261 1.00 0.00 C ATOM 1655 CD LYS A 110 8.541 18.042 -20.401 1.00 0.00 C ATOM 1656 CE LYS A 110 7.939 19.423 -20.710 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.943 19.367 -21.809 1.00 0.00 N ATOM 0 H LYS A 110 9.998 16.337 -16.907 1.00 0.00 H new ATOM 0 HA LYS A 110 10.837 19.027 -17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.194 17.634 -17.657 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.406 19.353 -17.928 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.306 18.876 -19.487 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.105 17.157 -19.210 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.017 17.645 -21.297 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.743 17.350 -20.132 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.465 19.820 -19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.738 20.113 -20.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.564 20.320 -21.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.400 19.013 -22.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.167 18.729 -21.542 1.00 0.00 H new ATOM 1671 N ALA A 111 8.806 18.433 -14.605 1.00 0.00 N ATOM 1672 CA ALA A 111 8.305 19.023 -13.366 1.00 0.00 C ATOM 1673 C ALA A 111 9.446 19.550 -12.481 1.00 0.00 C ATOM 1674 O ALA A 111 9.344 20.658 -11.954 1.00 0.00 O ATOM 1675 CB ALA A 111 7.441 18.010 -12.606 1.00 0.00 C ATOM 0 H ALA A 111 8.614 17.436 -14.698 1.00 0.00 H new ATOM 0 HA ALA A 111 7.686 19.880 -13.631 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.074 18.463 -11.685 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.595 17.715 -13.227 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.038 17.131 -12.365 1.00 0.00 H new ATOM 1681 N LYS A 112 10.533 18.783 -12.313 1.00 0.00 N ATOM 1682 CA LYS A 112 11.689 19.190 -11.500 1.00 0.00 C ATOM 1683 C LYS A 112 12.616 20.162 -12.258 1.00 0.00 C ATOM 1684 O LYS A 112 13.398 20.879 -11.636 1.00 0.00 O ATOM 1685 CB LYS A 112 12.405 17.913 -11.018 1.00 0.00 C ATOM 1686 CG LYS A 112 13.483 18.162 -9.951 1.00 0.00 C ATOM 1687 CD LYS A 112 12.910 18.589 -8.589 1.00 0.00 C ATOM 1688 CE LYS A 112 13.997 18.675 -7.506 1.00 0.00 C ATOM 1689 NZ LYS A 112 14.945 19.799 -7.719 1.00 0.00 N ATOM 0 H LYS A 112 10.636 17.861 -12.738 1.00 0.00 H new ATOM 0 HA LYS A 112 11.356 19.755 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.663 17.223 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.865 17.422 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.071 17.253 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.165 18.934 -10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.421 19.558 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.145 17.877 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.522 18.788 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.553 17.738 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.653 19.805 -6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.423 19.681 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.424 20.699 -7.713 1.00 0.00 H new ATOM 1703 N TYR A 113 12.523 20.184 -13.589 1.00 0.00 N ATOM 1704 CA TYR A 113 13.396 20.868 -14.538 1.00 0.00 C ATOM 1705 C TYR A 113 14.915 20.785 -14.244 1.00 0.00 C ATOM 1706 O TYR A 113 15.575 21.826 -14.177 1.00 0.00 O ATOM 1707 CB TYR A 113 12.856 22.272 -14.889 1.00 0.00 C ATOM 1708 CG TYR A 113 12.555 23.207 -13.726 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.278 23.194 -13.133 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.533 24.105 -13.253 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.984 24.051 -12.057 1.00 0.00 C ATOM 1712 CE2 TYR A 113 13.247 24.967 -12.179 1.00 0.00 C ATOM 1713 CZ TYR A 113 11.969 24.941 -11.572 1.00 0.00 C ATOM 1714 OH TYR A 113 11.675 25.768 -10.529 1.00 0.00 O ATOM 0 H TYR A 113 11.774 19.683 -14.067 1.00 0.00 H new ATOM 0 HA TYR A 113 13.347 20.287 -15.459 1.00 0.00 H new ATOM 0 HB2 TYR A 113 13.582 22.762 -15.538 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.942 22.148 -15.469 1.00 0.00 H new ATOM 0 HD1 TYR A 113 10.520 22.522 -13.507 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.507 24.131 -13.718 1.00 0.00 H new ATOM 0 HE1 TYR A 113 10.005 24.029 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.003 25.649 -11.818 1.00 0.00 H new ATOM 0 HH TYR A 113 12.459 26.316 -10.315 1.00 0.00 H new ATOM 1771 N GLU A 117 13.724 21.269 -20.621 1.00 0.00 N ATOM 1772 CA GLU A 117 12.726 20.376 -21.189 1.00 0.00 C ATOM 1773 C GLU A 117 13.458 19.055 -21.461 1.00 0.00 C ATOM 1774 O GLU A 117 14.690 19.041 -21.493 1.00 0.00 O ATOM 1775 CB GLU A 117 12.165 21.006 -22.484 1.00 0.00 C ATOM 1776 CG GLU A 117 11.089 20.166 -23.190 1.00 0.00 C ATOM 1777 CD GLU A 117 10.500 20.896 -24.406 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.562 21.710 -24.243 1.00 0.00 O ATOM 1779 OE2 GLU A 117 10.960 20.632 -25.539 1.00 0.00 O ATOM 0 HA GLU A 117 11.877 20.206 -20.526 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.745 21.983 -22.245 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.989 21.174 -23.177 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.521 19.218 -23.510 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.291 19.932 -22.485 1.00 0.00 H new ATOM 1786 N VAL A 118 12.723 17.964 -21.675 1.00 0.00 N ATOM 1787 CA VAL A 118 13.237 16.687 -22.159 1.00 0.00 C ATOM 1788 C VAL A 118 12.155 16.051 -23.039 1.00 0.00 C ATOM 1789 O VAL A 118 10.984 16.434 -22.954 1.00 0.00 O ATOM 1790 CB VAL A 118 13.629 15.750 -20.995 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.876 16.239 -20.256 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.508 15.542 -19.966 1.00 0.00 C ATOM 0 H VAL A 118 11.717 17.947 -21.509 1.00 0.00 H new ATOM 0 HA VAL A 118 14.146 16.852 -22.737 1.00 0.00 H new ATOM 0 HB VAL A 118 13.833 14.794 -21.478 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.113 15.549 -19.446 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.715 16.286 -20.950 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.689 17.231 -19.844 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.856 14.873 -19.179 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.231 16.502 -19.530 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.640 15.103 -20.457 1.00 0.00 H new ATOM 1802 N THR A 119 12.528 15.059 -23.843 1.00 0.00 N ATOM 1803 CA THR A 119 11.620 14.277 -24.675 1.00 0.00 C ATOM 1804 C THR A 119 12.019 12.797 -24.584 1.00 0.00 C ATOM 1805 O THR A 119 13.057 12.464 -23.996 1.00 0.00 O ATOM 1806 CB THR A 119 11.629 14.826 -26.120 1.00 0.00 C ATOM 1807 OG1 THR A 119 12.949 15.101 -26.568 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.818 16.118 -26.236 1.00 0.00 C ATOM 0 H THR A 119 13.501 14.769 -23.936 1.00 0.00 H new ATOM 0 HA THR A 119 10.592 14.361 -24.322 1.00 0.00 H new ATOM 0 HB THR A 119 11.181 14.048 -26.739 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.463 14.268 -26.602 1.00 0.00 H new ATOM 0 HG21 THR A 119 10.847 16.475 -27.266 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.785 15.926 -25.947 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.244 16.875 -25.578 1.00 0.00 H new ATOM 1816 N TRP A 120 11.202 11.902 -25.146 1.00 0.00 N ATOM 1817 CA TRP A 120 11.513 10.482 -25.229 1.00 0.00 C ATOM 1818 C TRP A 120 11.043 9.919 -26.562 1.00 0.00 C ATOM 1819 O TRP A 120 10.165 10.498 -27.211 1.00 0.00 O ATOM 1820 CB TRP A 120 10.876 9.689 -24.074 1.00 0.00 C ATOM 1821 CG TRP A 120 9.397 9.439 -24.136 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.419 10.367 -24.048 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.703 8.164 -24.303 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.182 9.760 -24.105 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.295 8.395 -24.245 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.125 6.831 -24.495 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.359 7.353 -24.336 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.197 5.777 -24.569 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.815 6.033 -24.489 1.00 0.00 C ATOM 0 H TRP A 120 10.302 12.149 -25.557 1.00 0.00 H new ATOM 0 HA TRP A 120 12.595 10.378 -25.150 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.378 8.723 -24.012 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.089 10.219 -23.145 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.582 11.430 -23.948 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.294 10.260 -24.050 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.180 6.617 -24.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.301 7.563 -24.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.548 4.762 -24.688 1.00 0.00 H new ATOM 0 HH2 TRP A 120 6.108 5.218 -24.545 1.00 0.00 H new ATOM 1840 N ALA A 121 11.620 8.785 -26.954 1.00 0.00 N ATOM 1841 CA ALA A 121 11.162 7.988 -28.073 1.00 0.00 C ATOM 1842 C ALA A 121 11.506 6.534 -27.764 1.00 0.00 C ATOM 1843 O ALA A 121 12.668 6.217 -27.510 1.00 0.00 O ATOM 1844 CB ALA A 121 11.839 8.447 -29.373 1.00 0.00 C ATOM 0 H ALA A 121 12.437 8.392 -26.487 1.00 0.00 H new ATOM 0 HA ALA A 121 10.087 8.102 -28.214 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.483 7.837 -30.203 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.596 9.493 -29.560 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.919 8.337 -29.279 1.00 0.00 H new