USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 96 GLN : amide:sc= -0.768 K(o=-0.83,f=-1.6) USER MOD Set 1.2: A 106 SER OG : rot -170:sc= -0.0595 USER MOD Set 2.1: A 20 MET CE :methyl 178:sc= -1.82 (180deg=-1.42) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -172:sc= -0.334 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot 176:sc= 0.323 USER MOD Set 3.2: A 31 SER OG : rot -72:sc= 0.191! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.14) USER MOD Single : A 29 SER OG : rot -174:sc= -0.18 USER MOD Single : A 30 GLN : amide:sc=-0.00292 X(o=-0.0029,f=-0.24) USER MOD Single : A 33 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.76) USER MOD Single : A 45 ASN : amide:sc= -1.19! X(o=-1.2!,f=-1.1) USER MOD Single : A 51 TYR OH : rot 31:sc= -2.39 USER MOD Single : A 52 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -179:sc= -4.12! (180deg=-4.16!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -116:sc= 0.429 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -165:sc= -0.931 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -3.42! C(o=-3.4!,f=-3.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot -140:sc= -3.22! USER MOD Single : A 99 ASN : amide:sc= -2.77! C(o=-2.8!,f=-9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 107 SER OG : rot -120:sc= -3.43! USER MOD Single : A 108 SER OG : rot 180:sc= 0.109 USER MOD Single : A 111 ASN : amide:sc= -0.357 K(o=-0.36,f=-1.8!) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0144 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.990 11.522 -3.332 1.00 0.00 N ATOM 151 CA ALA A 14 10.781 10.718 -3.401 1.00 0.00 C ATOM 152 C ALA A 14 10.881 9.757 -4.588 1.00 0.00 C ATOM 153 O ALA A 14 11.636 10.000 -5.527 1.00 0.00 O ATOM 154 CB ALA A 14 9.561 11.637 -3.496 1.00 0.00 C ATOM 0 HA ALA A 14 10.667 10.118 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.654 11.034 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.520 12.279 -2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.639 12.253 -4.392 1.00 0.00 H new ATOM 160 N PRO A 15 10.086 8.656 -4.504 1.00 0.00 N ATOM 161 CA PRO A 15 10.077 7.657 -5.559 1.00 0.00 C ATOM 162 C PRO A 15 9.311 8.160 -6.784 1.00 0.00 C ATOM 163 O PRO A 15 8.387 8.962 -6.656 1.00 0.00 O ATOM 164 CB PRO A 15 9.449 6.425 -4.929 1.00 0.00 C ATOM 165 CG PRO A 15 8.708 6.919 -3.697 1.00 0.00 C ATOM 166 CD PRO A 15 9.178 8.335 -3.406 1.00 0.00 C ATOM 0 HA PRO A 15 11.076 7.431 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.768 5.935 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.210 5.693 -4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.631 6.902 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.907 6.268 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.340 9.031 -3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.685 8.394 -2.443 1.00 0.00 H new ATOM 174 N ASP A 16 9.723 7.668 -7.943 1.00 0.00 N ATOM 175 CA ASP A 16 9.086 8.058 -9.190 1.00 0.00 C ATOM 176 C ASP A 16 8.473 6.822 -9.852 1.00 0.00 C ATOM 177 O ASP A 16 8.370 6.756 -11.076 1.00 0.00 O ATOM 178 CB ASP A 16 10.102 8.661 -10.162 1.00 0.00 C ATOM 179 CG ASP A 16 9.738 10.045 -10.701 1.00 0.00 C ATOM 180 OD1 ASP A 16 8.760 10.113 -11.477 1.00 0.00 O ATOM 181 OD2 ASP A 16 10.445 11.005 -10.326 1.00 0.00 O ATOM 0 H ASP A 16 10.490 7.003 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 16 8.322 8.801 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.068 8.725 -9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.225 7.980 -11.004 1.00 0.00 H new ATOM 186 N GLY A 17 8.083 5.873 -9.014 1.00 0.00 N ATOM 187 CA GLY A 17 7.483 4.643 -9.503 1.00 0.00 C ATOM 188 C GLY A 17 6.876 3.835 -8.355 1.00 0.00 C ATOM 189 O GLY A 17 7.381 3.866 -7.234 1.00 0.00 O ATOM 0 H GLY A 17 8.171 5.931 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.711 4.877 -10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.237 4.045 -10.015 1.00 0.00 H new ATOM 193 N PRO A 18 5.772 3.111 -8.682 1.00 0.00 N ATOM 194 CA PRO A 18 5.090 2.296 -7.691 1.00 0.00 C ATOM 195 C PRO A 18 5.880 1.021 -7.393 1.00 0.00 C ATOM 196 O PRO A 18 6.879 0.736 -8.052 1.00 0.00 O ATOM 197 CB PRO A 18 3.718 2.020 -8.286 1.00 0.00 C ATOM 198 CG PRO A 18 3.846 2.295 -9.775 1.00 0.00 C ATOM 199 CD PRO A 18 5.146 3.050 -10.000 1.00 0.00 C ATOM 0 HA PRO A 18 4.998 2.795 -6.726 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.414 0.989 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.960 2.661 -7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.845 1.361 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.998 2.881 -10.129 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.784 2.535 -10.718 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.961 4.048 -10.397 1.00 0.00 H new ATOM 207 N PRO A 19 5.390 0.266 -6.373 1.00 0.00 N ATOM 208 CA PRO A 19 6.039 -0.972 -5.979 1.00 0.00 C ATOM 209 C PRO A 19 5.751 -2.087 -6.987 1.00 0.00 C ATOM 210 O PRO A 19 4.890 -1.938 -7.853 1.00 0.00 O ATOM 211 CB PRO A 19 5.501 -1.274 -4.590 1.00 0.00 C ATOM 212 CG PRO A 19 4.230 -0.453 -4.448 1.00 0.00 C ATOM 213 CD PRO A 19 4.209 0.572 -5.570 1.00 0.00 C ATOM 0 HA PRO A 19 7.126 -0.890 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.294 -2.338 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.227 -1.005 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.352 -1.097 -4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.202 0.043 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.297 0.493 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.249 1.589 -5.179 1.00 0.00 H new ATOM 221 N MET A 20 6.488 -3.178 -6.841 1.00 0.00 N ATOM 222 CA MET A 20 6.322 -4.317 -7.728 1.00 0.00 C ATOM 223 C MET A 20 5.682 -5.496 -6.993 1.00 0.00 C ATOM 224 O MET A 20 5.458 -5.432 -5.785 1.00 0.00 O ATOM 225 CB MET A 20 7.686 -4.738 -8.278 1.00 0.00 C ATOM 226 CG MET A 20 8.485 -3.523 -8.753 1.00 0.00 C ATOM 227 SD MET A 20 7.460 -2.483 -9.780 1.00 0.00 S ATOM 228 CE MET A 20 7.721 -3.260 -11.366 1.00 0.00 C ATOM 0 H MET A 20 7.201 -3.298 -6.122 1.00 0.00 H new ATOM 0 HA MET A 20 5.665 -4.024 -8.546 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.246 -5.267 -7.506 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.549 -5.434 -9.106 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.847 -2.957 -7.895 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.362 -3.850 -9.312 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.121 -2.754 -12.122 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.775 -3.193 -11.635 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.426 -4.308 -11.311 1.00 0.00 H new ATOM 238 N ASP A 21 5.405 -6.546 -7.752 1.00 0.00 N ATOM 239 CA ASP A 21 4.795 -7.738 -7.187 1.00 0.00 C ATOM 240 C ASP A 21 3.555 -7.340 -6.385 1.00 0.00 C ATOM 241 O ASP A 21 3.199 -8.005 -5.414 1.00 0.00 O ATOM 242 CB ASP A 21 5.760 -8.455 -6.241 1.00 0.00 C ATOM 243 CG ASP A 21 5.341 -9.872 -5.842 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.767 -10.560 -6.713 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.604 -10.234 -4.675 1.00 0.00 O ATOM 0 H ASP A 21 5.592 -6.596 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 21 4.534 -8.405 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.741 -8.502 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.870 -7.857 -5.337 1.00 0.00 H new ATOM 250 N VAL A 22 2.930 -6.256 -6.822 1.00 0.00 N ATOM 251 CA VAL A 22 1.736 -5.761 -6.157 1.00 0.00 C ATOM 252 C VAL A 22 0.551 -6.662 -6.509 1.00 0.00 C ATOM 253 O VAL A 22 0.080 -6.658 -7.645 1.00 0.00 O ATOM 254 CB VAL A 22 1.503 -4.294 -6.524 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.252 -3.749 -5.832 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.729 -3.443 -6.190 1.00 0.00 C ATOM 0 H VAL A 22 3.228 -5.707 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 22 1.859 -5.795 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 22 1.342 -4.239 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.109 -2.705 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.617 -4.329 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.372 -3.824 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.536 -2.405 -6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.936 -3.507 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.590 -3.810 -6.749 1.00 0.00 H new ATOM 266 N THR A 23 0.103 -7.412 -5.513 1.00 0.00 N ATOM 267 CA THR A 23 -1.019 -8.316 -5.704 1.00 0.00 C ATOM 268 C THR A 23 -1.822 -8.449 -4.408 1.00 0.00 C ATOM 269 O THR A 23 -1.293 -8.231 -3.320 1.00 0.00 O ATOM 270 CB THR A 23 -0.470 -9.649 -6.218 1.00 0.00 C ATOM 271 OG1 THR A 23 -1.582 -10.252 -6.874 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.134 -10.620 -5.085 1.00 0.00 C ATOM 0 H THR A 23 0.496 -7.412 -4.572 1.00 0.00 H new ATOM 0 HA THR A 23 -1.718 -7.928 -6.445 1.00 0.00 H new ATOM 0 HB THR A 23 0.423 -9.467 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.314 -11.121 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.251 -11.549 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.620 -10.175 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.034 -10.829 -4.506 1.00 0.00 H new ATOM 280 N LEU A 24 -3.088 -8.807 -4.569 1.00 0.00 N ATOM 281 CA LEU A 24 -3.970 -8.972 -3.426 1.00 0.00 C ATOM 282 C LEU A 24 -4.315 -10.454 -3.263 1.00 0.00 C ATOM 283 O LEU A 24 -4.157 -11.238 -4.198 1.00 0.00 O ATOM 284 CB LEU A 24 -5.195 -8.067 -3.560 1.00 0.00 C ATOM 285 CG LEU A 24 -4.910 -6.573 -3.727 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.201 -5.794 -3.990 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.144 -6.022 -2.523 1.00 0.00 C ATOM 0 H LEU A 24 -3.524 -8.987 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.469 -8.658 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.779 -8.403 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.819 -8.201 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.272 -6.444 -4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.970 -4.735 -4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.670 -6.164 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.884 -5.927 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.955 -4.958 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.736 -6.165 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.195 -6.549 -2.423 1.00 0.00 H new ATOM 299 N GLN A 25 -4.779 -10.793 -2.069 1.00 0.00 N ATOM 300 CA GLN A 25 -5.148 -12.167 -1.772 1.00 0.00 C ATOM 301 C GLN A 25 -5.965 -12.229 -0.480 1.00 0.00 C ATOM 302 O GLN A 25 -5.473 -11.872 0.589 1.00 0.00 O ATOM 303 CB GLN A 25 -3.908 -13.059 -1.680 1.00 0.00 C ATOM 304 CG GLN A 25 -4.240 -14.500 -2.073 1.00 0.00 C ATOM 305 CD GLN A 25 -3.117 -15.111 -2.914 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.684 -14.560 -3.912 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.673 -16.278 -2.456 1.00 0.00 N ATOM 0 H GLN A 25 -4.908 -10.140 -1.296 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.766 -12.542 -2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.127 -12.671 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.514 -13.037 -0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.395 -15.099 -1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.173 -14.522 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.080 -16.684 -1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.925 -16.767 -2.947 1.00 0.00 H new ATOM 316 N PRO A 26 -7.234 -12.697 -0.625 1.00 0.00 N ATOM 317 CA PRO A 26 -8.125 -12.811 0.517 1.00 0.00 C ATOM 318 C PRO A 26 -7.746 -14.009 1.391 1.00 0.00 C ATOM 319 O PRO A 26 -7.825 -15.154 0.949 1.00 0.00 O ATOM 320 CB PRO A 26 -9.517 -12.929 -0.081 1.00 0.00 C ATOM 321 CG PRO A 26 -9.316 -13.344 -1.529 1.00 0.00 C ATOM 322 CD PRO A 26 -7.851 -13.129 -1.876 1.00 0.00 C ATOM 0 HA PRO A 26 -8.064 -11.952 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.112 -13.667 0.457 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.051 -11.981 -0.017 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.592 -14.389 -1.668 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.955 -12.755 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.393 -14.046 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.735 -12.376 -2.656 1.00 0.00 H new ATOM 330 N VAL A 27 -7.342 -13.703 2.615 1.00 0.00 N ATOM 331 CA VAL A 27 -6.950 -14.739 3.554 1.00 0.00 C ATOM 332 C VAL A 27 -8.132 -15.066 4.469 1.00 0.00 C ATOM 333 O VAL A 27 -8.310 -16.213 4.875 1.00 0.00 O ATOM 334 CB VAL A 27 -5.701 -14.304 4.324 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.444 -14.469 3.467 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.839 -12.864 4.823 1.00 0.00 C ATOM 0 H VAL A 27 -7.278 -12.752 2.978 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.686 -15.654 3.024 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.601 -14.952 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.571 -14.153 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.332 -15.515 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.532 -13.856 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.938 -12.579 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.976 -12.196 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.701 -12.790 5.485 1.00 0.00 H new ATOM 346 N THR A 28 -8.911 -14.035 4.767 1.00 0.00 N ATOM 347 CA THR A 28 -10.071 -14.198 5.626 1.00 0.00 C ATOM 348 C THR A 28 -11.327 -13.667 4.933 1.00 0.00 C ATOM 349 O THR A 28 -11.340 -13.489 3.716 1.00 0.00 O ATOM 350 CB THR A 28 -9.774 -13.506 6.958 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.768 -12.119 6.635 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.353 -13.779 7.455 1.00 0.00 C ATOM 0 H THR A 28 -8.761 -13.085 4.429 1.00 0.00 H new ATOM 0 HA THR A 28 -10.269 -15.251 5.827 1.00 0.00 H new ATOM 0 HB THR A 28 -10.491 -13.839 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.644 -11.593 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.194 -13.265 8.403 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.217 -14.851 7.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.634 -13.415 6.720 1.00 0.00 H new ATOM 360 N SER A 29 -12.352 -13.428 5.737 1.00 0.00 N ATOM 361 CA SER A 29 -13.610 -12.921 5.216 1.00 0.00 C ATOM 362 C SER A 29 -13.594 -11.391 5.208 1.00 0.00 C ATOM 363 O SER A 29 -14.148 -10.765 4.304 1.00 0.00 O ATOM 364 CB SER A 29 -14.794 -13.434 6.038 1.00 0.00 C ATOM 365 OG SER A 29 -16.043 -13.117 5.430 1.00 0.00 O ATOM 0 H SER A 29 -12.337 -13.576 6.746 1.00 0.00 H new ATOM 0 HA SER A 29 -13.727 -13.283 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.712 -14.514 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.757 -13.000 7.037 1.00 0.00 H new ATOM 0 HG SER A 29 -16.774 -13.377 6.029 1.00 0.00 H new ATOM 371 N GLN A 30 -12.953 -10.832 6.224 1.00 0.00 N ATOM 372 CA GLN A 30 -12.857 -9.387 6.344 1.00 0.00 C ATOM 373 C GLN A 30 -11.392 -8.959 6.446 1.00 0.00 C ATOM 374 O GLN A 30 -11.009 -8.261 7.383 1.00 0.00 O ATOM 375 CB GLN A 30 -13.660 -8.883 7.545 1.00 0.00 C ATOM 376 CG GLN A 30 -15.161 -9.085 7.326 1.00 0.00 C ATOM 377 CD GLN A 30 -15.965 -8.549 8.512 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.708 -7.479 9.037 1.00 0.00 O ATOM 379 NE2 GLN A 30 -16.952 -9.351 8.903 1.00 0.00 N ATOM 0 H GLN A 30 -12.495 -11.354 6.971 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.285 -8.938 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.346 -9.412 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.452 -7.826 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.471 -8.577 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.373 -10.145 7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.113 -10.234 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.547 -9.082 9.686 1.00 0.00 H new ATOM 388 N SER A 31 -10.612 -9.394 5.467 1.00 0.00 N ATOM 389 CA SER A 31 -9.198 -9.064 5.434 1.00 0.00 C ATOM 390 C SER A 31 -8.558 -9.629 4.164 1.00 0.00 C ATOM 391 O SER A 31 -9.017 -10.638 3.629 1.00 0.00 O ATOM 392 CB SER A 31 -8.478 -9.600 6.673 1.00 0.00 C ATOM 393 OG SER A 31 -9.393 -10.004 7.688 1.00 0.00 O ATOM 0 H SER A 31 -10.933 -9.972 4.691 1.00 0.00 H new ATOM 0 HA SER A 31 -9.101 -7.978 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.852 -10.447 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.814 -8.831 7.068 1.00 0.00 H new ATOM 0 HG SER A 31 -9.805 -9.212 8.091 1.00 0.00 H new ATOM 399 N ILE A 32 -7.509 -8.954 3.717 1.00 0.00 N ATOM 400 CA ILE A 32 -6.802 -9.376 2.520 1.00 0.00 C ATOM 401 C ILE A 32 -5.299 -9.183 2.726 1.00 0.00 C ATOM 402 O ILE A 32 -4.879 -8.289 3.460 1.00 0.00 O ATOM 403 CB ILE A 32 -7.352 -8.652 1.289 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.836 -8.967 1.086 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.522 -8.976 0.046 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.460 -8.025 0.054 1.00 0.00 C ATOM 0 H ILE A 32 -7.132 -8.118 4.163 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.965 -10.438 2.336 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.271 -7.578 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.951 -10.000 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.364 -8.874 2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.934 -8.449 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.491 -8.661 0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.549 -10.050 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.515 -8.270 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.365 -6.995 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.945 -8.138 -0.900 1.00 0.00 H new ATOM 418 N GLN A 33 -4.529 -10.035 2.065 1.00 0.00 N ATOM 419 CA GLN A 33 -3.081 -9.969 2.167 1.00 0.00 C ATOM 420 C GLN A 33 -2.497 -9.230 0.961 1.00 0.00 C ATOM 421 O GLN A 33 -2.652 -9.671 -0.177 1.00 0.00 O ATOM 422 CB GLN A 33 -2.476 -11.368 2.298 1.00 0.00 C ATOM 423 CG GLN A 33 -0.995 -11.292 2.674 1.00 0.00 C ATOM 424 CD GLN A 33 -0.686 -12.193 3.872 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.240 -13.269 4.031 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.226 -11.696 4.703 1.00 0.00 N ATOM 0 H GLN A 33 -4.881 -10.775 1.457 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.825 -9.412 3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.019 -11.933 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.589 -11.906 1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.384 -11.591 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.729 -10.262 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.651 -10.789 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.501 -12.222 5.533 1.00 0.00 H new ATOM 435 N VAL A 34 -1.838 -8.118 1.251 1.00 0.00 N ATOM 436 CA VAL A 34 -1.231 -7.313 0.204 1.00 0.00 C ATOM 437 C VAL A 34 0.289 -7.480 0.257 1.00 0.00 C ATOM 438 O VAL A 34 0.940 -6.990 1.179 1.00 0.00 O ATOM 439 CB VAL A 34 -1.677 -5.856 0.338 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.246 -5.036 -0.879 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.190 -5.764 0.553 1.00 0.00 C ATOM 0 H VAL A 34 -1.711 -7.755 2.196 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.562 -7.650 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.187 -5.435 1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.576 -4.004 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.160 -5.062 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.695 -5.457 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.481 -4.718 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.706 -6.211 -0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.461 -6.298 1.464 1.00 0.00 H new ATOM 451 N THR A 35 0.812 -8.172 -0.745 1.00 0.00 N ATOM 452 CA THR A 35 2.243 -8.409 -0.825 1.00 0.00 C ATOM 453 C THR A 35 2.821 -7.764 -2.086 1.00 0.00 C ATOM 454 O THR A 35 2.314 -7.980 -3.186 1.00 0.00 O ATOM 455 CB THR A 35 2.477 -9.919 -0.752 1.00 0.00 C ATOM 456 OG1 THR A 35 1.296 -10.481 -1.316 1.00 0.00 O ATOM 457 CG2 THR A 35 2.488 -10.441 0.686 1.00 0.00 C ATOM 0 H THR A 35 0.270 -8.576 -1.508 1.00 0.00 H new ATOM 0 HA THR A 35 2.768 -7.944 0.009 1.00 0.00 H new ATOM 0 HB THR A 35 3.424 -10.163 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.364 -11.459 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.658 -11.518 0.681 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.285 -9.951 1.245 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.529 -10.227 1.158 1.00 0.00 H new ATOM 465 N TRP A 36 3.874 -6.986 -1.886 1.00 0.00 N ATOM 466 CA TRP A 36 4.526 -6.309 -2.993 1.00 0.00 C ATOM 467 C TRP A 36 6.030 -6.284 -2.713 1.00 0.00 C ATOM 468 O TRP A 36 6.455 -6.453 -1.571 1.00 0.00 O ATOM 469 CB TRP A 36 3.935 -4.914 -3.208 1.00 0.00 C ATOM 470 CG TRP A 36 4.279 -3.915 -2.102 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.337 -3.096 -2.029 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.514 -3.661 -0.904 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.310 -2.336 -0.877 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.166 -2.691 -0.172 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.310 -4.233 -0.455 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.692 -2.207 1.053 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.850 -3.738 0.771 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.495 -2.762 1.520 1.00 0.00 C ATOM 0 H TRP A 36 4.292 -6.809 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 36 4.355 -6.845 -3.927 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.292 -4.523 -4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.851 -4.998 -3.283 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.113 -3.038 -2.777 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.002 -1.642 -0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.782 -4.993 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.221 -1.446 1.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.929 -4.144 1.162 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.075 -2.433 2.459 1.00 0.00 H new ATOM 489 N LYS A 37 6.795 -6.071 -3.774 1.00 0.00 N ATOM 490 CA LYS A 37 8.242 -6.022 -3.656 1.00 0.00 C ATOM 491 C LYS A 37 8.722 -4.592 -3.914 1.00 0.00 C ATOM 492 O LYS A 37 7.999 -3.787 -4.499 1.00 0.00 O ATOM 493 CB LYS A 37 8.890 -7.062 -4.572 1.00 0.00 C ATOM 494 CG LYS A 37 9.020 -8.412 -3.862 1.00 0.00 C ATOM 495 CD LYS A 37 9.661 -9.454 -4.780 1.00 0.00 C ATOM 496 CE LYS A 37 10.778 -10.209 -4.056 1.00 0.00 C ATOM 497 NZ LYS A 37 12.050 -10.093 -4.803 1.00 0.00 N ATOM 0 H LYS A 37 6.439 -5.930 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 37 8.551 -6.285 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.292 -7.178 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.875 -6.714 -4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.622 -8.297 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.036 -8.757 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.903 -10.159 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.063 -8.964 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.903 -9.809 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.506 -11.259 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.797 -10.611 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.932 -10.496 -5.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.316 -9.091 -4.882 1.00 0.00 H new ATOM 511 N ALA A 38 9.938 -4.320 -3.465 1.00 0.00 N ATOM 512 CA ALA A 38 10.523 -3.002 -3.640 1.00 0.00 C ATOM 513 C ALA A 38 10.312 -2.542 -5.084 1.00 0.00 C ATOM 514 O ALA A 38 10.271 -3.362 -6.001 1.00 0.00 O ATOM 515 CB ALA A 38 12.003 -3.044 -3.252 1.00 0.00 C ATOM 0 H ALA A 38 10.535 -4.990 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 38 10.035 -2.277 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.442 -2.055 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.097 -3.347 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.525 -3.760 -3.887 1.00 0.00 H new ATOM 521 N PRO A 39 10.180 -1.198 -5.247 1.00 0.00 N ATOM 522 CA PRO A 39 9.974 -0.620 -6.564 1.00 0.00 C ATOM 523 C PRO A 39 11.272 -0.625 -7.374 1.00 0.00 C ATOM 524 O PRO A 39 12.330 -0.980 -6.856 1.00 0.00 O ATOM 525 CB PRO A 39 9.444 0.780 -6.300 1.00 0.00 C ATOM 526 CG PRO A 39 9.811 1.100 -4.860 1.00 0.00 C ATOM 527 CD PRO A 39 10.223 -0.198 -4.185 1.00 0.00 C ATOM 0 HA PRO A 39 9.270 -1.191 -7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.888 1.501 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.365 0.823 -6.447 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.625 1.824 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.964 1.548 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.221 -0.121 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.544 -0.454 -3.372 1.00 0.00 H new ATOM 535 N LYS A 40 11.149 -0.228 -8.632 1.00 0.00 N ATOM 536 CA LYS A 40 12.299 -0.183 -9.518 1.00 0.00 C ATOM 537 C LYS A 40 13.520 0.308 -8.738 1.00 0.00 C ATOM 538 O LYS A 40 13.434 1.284 -7.993 1.00 0.00 O ATOM 539 CB LYS A 40 11.985 0.654 -10.760 1.00 0.00 C ATOM 540 CG LYS A 40 11.779 -0.239 -11.985 1.00 0.00 C ATOM 541 CD LYS A 40 10.449 0.074 -12.674 1.00 0.00 C ATOM 542 CE LYS A 40 9.267 -0.387 -11.818 1.00 0.00 C ATOM 543 NZ LYS A 40 8.022 -0.402 -12.619 1.00 0.00 N ATOM 0 H LYS A 40 10.270 0.065 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 40 12.536 -1.181 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.089 1.249 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.800 1.353 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.600 -0.094 -12.688 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.799 -1.286 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.374 1.146 -12.858 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.414 -0.419 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.464 -1.383 -11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.148 0.278 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.210 -0.585 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.899 0.519 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.081 -1.151 -13.338 1.00 0.00 H new ATOM 557 N LYS A 41 14.629 -0.390 -8.936 1.00 0.00 N ATOM 558 CA LYS A 41 15.866 -0.037 -8.260 1.00 0.00 C ATOM 559 C LYS A 41 16.275 1.382 -8.662 1.00 0.00 C ATOM 560 O LYS A 41 16.501 2.233 -7.804 1.00 0.00 O ATOM 561 CB LYS A 41 16.944 -1.088 -8.531 1.00 0.00 C ATOM 562 CG LYS A 41 18.344 -0.487 -8.391 1.00 0.00 C ATOM 563 CD LYS A 41 18.656 -0.161 -6.929 1.00 0.00 C ATOM 564 CE LYS A 41 19.252 -1.374 -6.212 1.00 0.00 C ATOM 565 NZ LYS A 41 20.025 -0.945 -5.024 1.00 0.00 N ATOM 0 H LYS A 41 14.697 -1.198 -9.555 1.00 0.00 H new ATOM 0 HA LYS A 41 15.722 -0.034 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.830 -1.919 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.817 -1.494 -9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.085 -1.187 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.417 0.419 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.355 0.674 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.745 0.155 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.455 -2.053 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.899 -1.926 -6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.423 -1.780 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.797 -0.315 -5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.398 -0.438 -4.367 1.00 0.00 H new ATOM 579 N GLU A 42 16.358 1.592 -9.968 1.00 0.00 N ATOM 580 CA GLU A 42 16.736 2.892 -10.494 1.00 0.00 C ATOM 581 C GLU A 42 15.753 3.964 -10.017 1.00 0.00 C ATOM 582 O GLU A 42 16.073 5.151 -10.025 1.00 0.00 O ATOM 583 CB GLU A 42 16.816 2.863 -12.022 1.00 0.00 C ATOM 584 CG GLU A 42 15.424 2.979 -12.646 1.00 0.00 C ATOM 585 CD GLU A 42 15.412 2.414 -14.068 1.00 0.00 C ATOM 586 OE1 GLU A 42 15.749 1.218 -14.206 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.066 3.190 -14.984 1.00 0.00 O ATOM 0 H GLU A 42 16.170 0.883 -10.677 1.00 0.00 H new ATOM 0 HA GLU A 42 17.727 3.141 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.445 3.681 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.288 1.936 -12.348 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.700 2.443 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.115 4.024 -12.663 1.00 0.00 H new ATOM 594 N LEU A 43 14.578 3.506 -9.613 1.00 0.00 N ATOM 595 CA LEU A 43 13.547 4.410 -9.133 1.00 0.00 C ATOM 596 C LEU A 43 13.353 4.204 -7.629 1.00 0.00 C ATOM 597 O LEU A 43 12.227 4.050 -7.160 1.00 0.00 O ATOM 598 CB LEU A 43 12.263 4.239 -9.947 1.00 0.00 C ATOM 599 CG LEU A 43 12.373 4.536 -11.444 1.00 0.00 C ATOM 600 CD1 LEU A 43 11.029 4.328 -12.145 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.934 5.939 -11.685 1.00 0.00 C ATOM 0 H LEU A 43 14.317 2.520 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 43 13.853 5.446 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.913 3.214 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.498 4.890 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 43 13.077 3.828 -11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.135 4.546 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.708 3.294 -12.017 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.285 4.996 -11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.002 6.125 -12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.274 6.678 -11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.926 6.016 -11.240 1.00 0.00 H new ATOM 613 N GLN A 44 14.469 4.209 -6.915 1.00 0.00 N ATOM 614 CA GLN A 44 14.437 4.024 -5.474 1.00 0.00 C ATOM 615 C GLN A 44 14.710 5.351 -4.763 1.00 0.00 C ATOM 616 O GLN A 44 14.196 5.592 -3.672 1.00 0.00 O ATOM 617 CB GLN A 44 15.436 2.952 -5.036 1.00 0.00 C ATOM 618 CG GLN A 44 14.771 1.575 -4.976 1.00 0.00 C ATOM 619 CD GLN A 44 15.599 0.602 -4.134 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.143 0.946 -3.097 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.665 -0.627 -4.636 1.00 0.00 N ATOM 0 H GLN A 44 15.401 4.338 -7.308 1.00 0.00 H new ATOM 0 HA GLN A 44 13.441 3.681 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 44 16.274 2.925 -5.732 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.842 3.207 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.771 1.668 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.654 1.180 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.186 -0.848 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.195 -1.349 -4.148 1.00 0.00 H new ATOM 630 N ASN A 45 15.518 6.178 -5.411 1.00 0.00 N ATOM 631 CA ASN A 45 15.865 7.474 -4.854 1.00 0.00 C ATOM 632 C ASN A 45 16.121 7.328 -3.353 1.00 0.00 C ATOM 633 O ASN A 45 15.440 7.952 -2.540 1.00 0.00 O ATOM 634 CB ASN A 45 14.727 8.478 -5.044 1.00 0.00 C ATOM 635 CG ASN A 45 14.571 8.858 -6.518 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.527 9.169 -7.210 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.317 8.816 -6.958 1.00 0.00 N ATOM 0 H ASN A 45 15.942 5.975 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 45 16.754 7.835 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.795 8.051 -4.674 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.924 9.372 -4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.109 9.053 -7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.563 8.547 -6.325 1.00 0.00 H new ATOM 644 N GLY A 46 17.103 6.499 -3.030 1.00 0.00 N ATOM 645 CA GLY A 46 17.457 6.263 -1.641 1.00 0.00 C ATOM 646 C GLY A 46 16.549 5.201 -1.017 1.00 0.00 C ATOM 647 O GLY A 46 15.424 4.997 -1.470 1.00 0.00 O ATOM 0 H GLY A 46 17.665 5.982 -3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.496 5.941 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.375 7.193 -1.078 1.00 0.00 H new ATOM 651 N VAL A 47 17.072 4.552 0.013 1.00 0.00 N ATOM 652 CA VAL A 47 16.324 3.516 0.704 1.00 0.00 C ATOM 653 C VAL A 47 14.886 3.991 0.921 1.00 0.00 C ATOM 654 O VAL A 47 14.598 5.182 0.811 1.00 0.00 O ATOM 655 CB VAL A 47 17.032 3.138 2.006 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.145 2.242 2.873 1.00 0.00 C ATOM 657 CG2 VAL A 47 18.378 2.468 1.723 1.00 0.00 C ATOM 0 H VAL A 47 18.006 4.724 0.386 1.00 0.00 H new ATOM 0 HA VAL A 47 16.280 2.610 0.100 1.00 0.00 H new ATOM 0 HB VAL A 47 17.225 4.056 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.673 1.988 3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.223 2.770 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.907 1.329 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 47 18.861 2.209 2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.218 1.563 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 47 19.016 3.154 1.165 1.00 0.00 H new ATOM 667 N ILE A 48 14.020 3.036 1.227 1.00 0.00 N ATOM 668 CA ILE A 48 12.619 3.342 1.462 1.00 0.00 C ATOM 669 C ILE A 48 12.331 3.274 2.963 1.00 0.00 C ATOM 670 O ILE A 48 12.608 2.263 3.606 1.00 0.00 O ATOM 671 CB ILE A 48 11.724 2.429 0.622 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.327 2.193 -0.764 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.300 2.982 0.540 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.191 3.440 -1.641 1.00 0.00 C ATOM 0 H ILE A 48 14.262 2.049 1.318 1.00 0.00 H new ATOM 0 HA ILE A 48 12.391 4.358 1.140 1.00 0.00 H new ATOM 0 HB ILE A 48 11.666 1.460 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.379 1.926 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.828 1.351 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.684 2.314 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.880 3.056 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.319 3.970 0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.628 3.245 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.136 3.690 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.712 4.274 -1.171 1.00 0.00 H new ATOM 686 N ARG A 49 11.780 4.364 3.477 1.00 0.00 N ATOM 687 CA ARG A 49 11.451 4.441 4.890 1.00 0.00 C ATOM 688 C ARG A 49 10.234 3.567 5.200 1.00 0.00 C ATOM 689 O ARG A 49 10.241 2.808 6.168 1.00 0.00 O ATOM 690 CB ARG A 49 11.156 5.882 5.309 1.00 0.00 C ATOM 691 CG ARG A 49 12.429 6.731 5.290 1.00 0.00 C ATOM 692 CD ARG A 49 12.846 7.125 6.709 1.00 0.00 C ATOM 693 NE ARG A 49 14.291 7.441 6.742 1.00 0.00 N ATOM 694 CZ ARG A 49 15.262 6.518 6.740 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.949 5.215 6.706 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.547 6.897 6.771 1.00 0.00 N ATOM 0 H ARG A 49 11.553 5.201 2.940 1.00 0.00 H new ATOM 0 HA ARG A 49 12.313 4.081 5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.416 6.315 4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.723 5.892 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.235 6.174 4.812 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.263 7.628 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.269 7.988 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.627 6.311 7.400 1.00 0.00 H new ATOM 0 HE ARG A 49 14.565 8.423 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.971 4.926 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.689 4.513 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.786 7.888 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.286 6.194 6.769 1.00 0.00 H new ATOM 710 N GLY A 50 9.218 3.704 4.361 1.00 0.00 N ATOM 711 CA GLY A 50 7.996 2.937 4.534 1.00 0.00 C ATOM 712 C GLY A 50 7.063 3.114 3.334 1.00 0.00 C ATOM 713 O GLY A 50 7.346 3.903 2.434 1.00 0.00 O ATOM 0 H GLY A 50 9.216 4.335 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.239 1.882 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.488 3.256 5.444 1.00 0.00 H new ATOM 717 N TYR A 51 5.970 2.366 3.360 1.00 0.00 N ATOM 718 CA TYR A 51 4.993 2.430 2.286 1.00 0.00 C ATOM 719 C TYR A 51 3.580 2.619 2.840 1.00 0.00 C ATOM 720 O TYR A 51 3.343 2.411 4.029 1.00 0.00 O ATOM 721 CB TYR A 51 5.070 1.083 1.565 1.00 0.00 C ATOM 722 CG TYR A 51 6.366 0.869 0.781 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.576 0.832 1.445 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.326 0.714 -0.589 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.796 0.631 0.707 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.546 0.513 -1.327 1.00 0.00 C ATOM 727 CZ TYR A 51 8.721 0.481 -0.643 1.00 0.00 C ATOM 728 OH TYR A 51 9.873 0.291 -1.340 1.00 0.00 O ATOM 0 H TYR A 51 5.739 1.712 4.108 1.00 0.00 H new ATOM 0 HA TYR A 51 5.204 3.271 1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.965 0.284 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.226 1.000 0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.607 0.954 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.379 0.743 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.749 0.600 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.528 0.390 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 51 10.520 -0.185 -0.779 1.00 0.00 H new ATOM 738 N GLN A 52 2.678 3.011 1.952 1.00 0.00 N ATOM 739 CA GLN A 52 1.294 3.230 2.338 1.00 0.00 C ATOM 740 C GLN A 52 0.371 2.293 1.556 1.00 0.00 C ATOM 741 O GLN A 52 0.552 2.096 0.356 1.00 0.00 O ATOM 742 CB GLN A 52 0.893 4.692 2.132 1.00 0.00 C ATOM 743 CG GLN A 52 1.361 5.559 3.303 1.00 0.00 C ATOM 744 CD GLN A 52 1.027 7.032 3.061 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.382 7.688 3.862 1.00 0.00 O ATOM 746 NE2 GLN A 52 1.501 7.514 1.916 1.00 0.00 N ATOM 0 H GLN A 52 2.878 3.183 0.967 1.00 0.00 H new ATOM 0 HA GLN A 52 1.193 3.006 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.326 5.064 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.190 4.765 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.885 5.221 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.436 5.444 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.034 6.910 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.332 8.488 1.664 1.00 0.00 H new ATOM 755 N ILE A 53 -0.599 1.739 2.270 1.00 0.00 N ATOM 756 CA ILE A 53 -1.551 0.827 1.659 1.00 0.00 C ATOM 757 C ILE A 53 -2.949 1.445 1.714 1.00 0.00 C ATOM 758 O ILE A 53 -3.598 1.429 2.759 1.00 0.00 O ATOM 759 CB ILE A 53 -1.462 -0.555 2.309 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.053 -1.135 2.175 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.526 -1.497 1.741 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.900 -0.500 3.191 1.00 0.00 C ATOM 0 H ILE A 53 -0.746 1.904 3.266 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.311 0.674 0.607 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.664 -0.445 3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.084 -2.214 2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.320 -0.964 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.441 -2.473 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.517 -1.084 1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.379 -1.606 0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.895 -0.930 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.947 0.576 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.537 -0.693 4.200 1.00 0.00 H new ATOM 774 N GLY A 54 -3.373 1.974 0.576 1.00 0.00 N ATOM 775 CA GLY A 54 -4.683 2.596 0.482 1.00 0.00 C ATOM 776 C GLY A 54 -5.717 1.615 -0.075 1.00 0.00 C ATOM 777 O GLY A 54 -5.517 1.036 -1.142 1.00 0.00 O ATOM 0 H GLY A 54 -2.833 1.985 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.997 2.941 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.627 3.475 -0.160 1.00 0.00 H new ATOM 781 N TYR A 55 -6.799 1.457 0.673 1.00 0.00 N ATOM 782 CA TYR A 55 -7.864 0.556 0.267 1.00 0.00 C ATOM 783 C TYR A 55 -9.232 1.101 0.684 1.00 0.00 C ATOM 784 O TYR A 55 -9.353 1.763 1.714 1.00 0.00 O ATOM 785 CB TYR A 55 -7.607 -0.760 1.004 1.00 0.00 C ATOM 786 CG TYR A 55 -7.753 -0.662 2.523 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.787 -0.017 3.269 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.850 -1.218 3.149 1.00 0.00 C ATOM 789 CE1 TYR A 55 -6.924 0.076 4.699 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.988 -1.125 4.579 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.018 -0.483 5.284 1.00 0.00 C ATOM 792 OH TYR A 55 -8.148 -0.395 6.635 1.00 0.00 O ATOM 0 H TYR A 55 -6.961 1.938 1.558 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.871 0.434 -0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.299 -1.515 0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.601 -1.106 0.768 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.928 0.418 2.780 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.606 -1.723 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.175 0.578 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.842 -1.555 5.081 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.977 -0.837 6.913 1.00 0.00 H new ATOM 802 N ARG A 56 -10.228 0.802 -0.137 1.00 0.00 N ATOM 803 CA ARG A 56 -11.582 1.253 0.134 1.00 0.00 C ATOM 804 C ARG A 56 -12.595 0.348 -0.570 1.00 0.00 C ATOM 805 O ARG A 56 -12.256 -0.335 -1.536 1.00 0.00 O ATOM 806 CB ARG A 56 -11.786 2.695 -0.334 1.00 0.00 C ATOM 807 CG ARG A 56 -11.359 2.863 -1.794 1.00 0.00 C ATOM 808 CD ARG A 56 -12.184 3.951 -2.485 1.00 0.00 C ATOM 809 NE ARG A 56 -12.813 3.407 -3.709 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.789 4.024 -4.390 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.253 5.209 -3.970 1.00 0.00 N ATOM 812 NH2 ARG A 56 -14.301 3.456 -5.490 1.00 0.00 N ATOM 0 H ARG A 56 -10.124 0.253 -0.990 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.737 1.207 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.834 2.972 -0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.210 3.371 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.301 3.120 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.481 1.918 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.951 4.323 -1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.545 4.797 -2.739 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.483 2.506 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.864 5.641 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.996 5.679 -4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.948 2.554 -5.809 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.044 3.926 -6.008 1.00 0.00 H new ATOM 826 N GLU A 57 -13.817 0.371 -0.060 1.00 0.00 N ATOM 827 CA GLU A 57 -14.881 -0.440 -0.628 1.00 0.00 C ATOM 828 C GLU A 57 -15.139 -0.034 -2.080 1.00 0.00 C ATOM 829 O GLU A 57 -14.963 1.128 -2.445 1.00 0.00 O ATOM 830 CB GLU A 57 -16.158 -0.332 0.207 1.00 0.00 C ATOM 831 CG GLU A 57 -16.773 -1.712 0.450 1.00 0.00 C ATOM 832 CD GLU A 57 -18.097 -1.862 -0.302 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.060 -1.748 -1.546 1.00 0.00 O ATOM 834 OE2 GLU A 57 -19.117 -2.087 0.385 1.00 0.00 O ATOM 0 H GLU A 57 -14.095 0.939 0.741 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.564 -1.483 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.933 0.143 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.878 0.306 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.077 -2.486 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.938 -1.858 1.517 1.00 0.00 H new ATOM 936 N TYR A 66 -9.780 6.590 0.361 1.00 0.00 N ATOM 937 CA TYR A 66 -8.955 5.404 0.510 1.00 0.00 C ATOM 938 C TYR A 66 -8.204 5.422 1.842 1.00 0.00 C ATOM 939 O TYR A 66 -7.375 6.299 2.080 1.00 0.00 O ATOM 940 CB TYR A 66 -7.940 5.450 -0.635 1.00 0.00 C ATOM 941 CG TYR A 66 -8.379 4.688 -1.887 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.166 5.312 -2.834 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.989 3.377 -2.069 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.579 4.595 -4.012 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.402 2.660 -3.248 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.177 3.305 -4.161 1.00 0.00 C ATOM 947 OH TYR A 66 -9.567 2.627 -5.274 1.00 0.00 O ATOM 0 HA TYR A 66 -9.570 4.504 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.755 6.491 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.994 5.038 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.472 6.338 -2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.374 2.889 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.195 5.071 -4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.103 1.634 -3.404 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.205 1.717 -5.246 1.00 0.00 H new ATOM 957 N SER A 67 -8.520 4.442 2.677 1.00 0.00 N ATOM 958 CA SER A 67 -7.885 4.334 3.979 1.00 0.00 C ATOM 959 C SER A 67 -6.381 4.110 3.812 1.00 0.00 C ATOM 960 O SER A 67 -5.950 3.020 3.441 1.00 0.00 O ATOM 961 CB SER A 67 -8.502 3.200 4.800 1.00 0.00 C ATOM 962 OG SER A 67 -9.848 3.481 5.173 1.00 0.00 O ATOM 0 H SER A 67 -9.208 3.716 2.476 1.00 0.00 H new ATOM 0 HA SER A 67 -8.049 5.268 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.471 2.276 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.904 3.035 5.697 1.00 0.00 H new ATOM 0 HG SER A 67 -10.206 2.732 5.694 1.00 0.00 H new ATOM 968 N ILE A 68 -5.624 5.161 4.092 1.00 0.00 N ATOM 969 CA ILE A 68 -4.177 5.093 3.977 1.00 0.00 C ATOM 970 C ILE A 68 -3.593 4.527 5.273 1.00 0.00 C ATOM 971 O ILE A 68 -4.027 4.891 6.365 1.00 0.00 O ATOM 972 CB ILE A 68 -3.606 6.459 3.589 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.009 6.837 2.163 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.089 6.494 3.785 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.576 5.759 1.167 1.00 0.00 C ATOM 0 H ILE A 68 -5.986 6.064 4.398 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.889 4.414 3.174 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.034 7.210 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.089 6.973 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.554 7.790 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.708 7.475 3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.853 6.301 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.624 5.731 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.875 6.052 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.493 5.643 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.052 4.813 1.425 1.00 0.00 H new ATOM 987 N VAL A 69 -2.616 3.647 5.109 1.00 0.00 N ATOM 988 CA VAL A 69 -1.968 3.027 6.252 1.00 0.00 C ATOM 989 C VAL A 69 -0.465 2.919 5.984 1.00 0.00 C ATOM 990 O VAL A 69 -0.040 2.174 5.103 1.00 0.00 O ATOM 991 CB VAL A 69 -2.620 1.677 6.555 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.754 1.831 7.571 1.00 0.00 C ATOM 993 CG2 VAL A 69 -3.119 1.009 5.272 1.00 0.00 C ATOM 0 H VAL A 69 -2.258 3.349 4.202 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.096 3.641 7.143 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.862 1.030 6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.200 0.856 7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.358 2.243 8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.513 2.503 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.578 0.051 5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.855 1.652 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.280 0.848 4.596 1.00 0.00 H new ATOM 1003 N GLU A 70 0.298 3.675 6.760 1.00 0.00 N ATOM 1004 CA GLU A 70 1.744 3.674 6.618 1.00 0.00 C ATOM 1005 C GLU A 70 2.361 2.570 7.479 1.00 0.00 C ATOM 1006 O GLU A 70 1.928 2.343 8.608 1.00 0.00 O ATOM 1007 CB GLU A 70 2.331 5.040 6.975 1.00 0.00 C ATOM 1008 CG GLU A 70 3.799 4.916 7.386 1.00 0.00 C ATOM 1009 CD GLU A 70 4.529 6.251 7.227 1.00 0.00 C ATOM 1010 OE1 GLU A 70 4.328 6.885 6.169 1.00 0.00 O ATOM 1011 OE2 GLU A 70 5.271 6.608 8.168 1.00 0.00 O ATOM 0 H GLU A 70 -0.058 4.293 7.489 1.00 0.00 H new ATOM 0 HA GLU A 70 1.987 3.473 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.244 5.711 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.758 5.484 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.863 4.584 8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.288 4.156 6.777 1.00 0.00 H new ATOM 1018 N MET A 71 3.362 1.912 6.913 1.00 0.00 N ATOM 1019 CA MET A 71 4.043 0.837 7.615 1.00 0.00 C ATOM 1020 C MET A 71 5.562 0.984 7.501 1.00 0.00 C ATOM 1021 O MET A 71 6.054 1.948 6.917 1.00 0.00 O ATOM 1022 CB MET A 71 3.614 -0.509 7.028 1.00 0.00 C ATOM 1023 CG MET A 71 3.660 -0.479 5.499 1.00 0.00 C ATOM 1024 SD MET A 71 5.346 -0.633 4.935 1.00 0.00 S ATOM 1025 CE MET A 71 5.446 -2.403 4.734 1.00 0.00 C ATOM 0 H MET A 71 3.718 2.102 5.976 1.00 0.00 H new ATOM 0 HA MET A 71 3.770 0.886 8.669 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.269 -1.297 7.400 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.604 -0.750 7.361 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.057 -1.291 5.093 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.229 0.453 5.132 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.447 -2.675 4.401 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.235 -2.890 5.686 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.716 -2.727 3.992 1.00 0.00 H new ATOM 1035 N LYS A 72 6.262 0.013 8.068 1.00 0.00 N ATOM 1036 CA LYS A 72 7.715 0.021 8.037 1.00 0.00 C ATOM 1037 C LYS A 72 8.198 -0.681 6.767 1.00 0.00 C ATOM 1038 O LYS A 72 7.556 -1.614 6.287 1.00 0.00 O ATOM 1039 CB LYS A 72 8.282 -0.580 9.325 1.00 0.00 C ATOM 1040 CG LYS A 72 8.736 0.518 10.289 1.00 0.00 C ATOM 1041 CD LYS A 72 9.416 -0.082 11.522 1.00 0.00 C ATOM 1042 CE LYS A 72 8.839 0.512 12.809 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.873 1.286 13.531 1.00 0.00 N ATOM 0 H LYS A 72 5.850 -0.785 8.552 1.00 0.00 H new ATOM 0 HA LYS A 72 8.089 1.044 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.525 -1.200 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.123 -1.231 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.426 1.191 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.877 1.115 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.283 -1.164 11.525 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.489 0.107 11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.993 1.157 12.572 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.462 -0.286 13.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.465 1.682 14.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.668 0.661 13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.214 2.060 12.925 1.00 0.00 H new ATOM 1057 N ALA A 73 9.324 -0.204 6.257 1.00 0.00 N ATOM 1058 CA ALA A 73 9.901 -0.774 5.051 1.00 0.00 C ATOM 1059 C ALA A 73 11.106 -1.638 5.427 1.00 0.00 C ATOM 1060 O ALA A 73 12.086 -1.137 5.977 1.00 0.00 O ATOM 1061 CB ALA A 73 10.268 0.350 4.080 1.00 0.00 C ATOM 0 H ALA A 73 9.853 0.571 6.657 1.00 0.00 H new ATOM 0 HA ALA A 73 9.180 -1.417 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.701 -0.077 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.372 0.915 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.993 1.015 4.550 1.00 0.00 H new ATOM 1067 N THR A 74 10.995 -2.920 5.114 1.00 0.00 N ATOM 1068 CA THR A 74 12.064 -3.859 5.411 1.00 0.00 C ATOM 1069 C THR A 74 13.306 -3.534 4.578 1.00 0.00 C ATOM 1070 O THR A 74 14.416 -3.484 5.106 1.00 0.00 O ATOM 1071 CB THR A 74 11.530 -5.273 5.179 1.00 0.00 C ATOM 1072 OG1 THR A 74 11.489 -5.400 3.760 1.00 0.00 O ATOM 1073 CG2 THR A 74 10.070 -5.426 5.609 1.00 0.00 C ATOM 0 H THR A 74 10.181 -3.331 4.657 1.00 0.00 H new ATOM 0 HA THR A 74 12.380 -3.782 6.451 1.00 0.00 H new ATOM 0 HB THR A 74 12.146 -5.987 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.560 -5.511 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.741 -6.448 5.423 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.979 -5.203 6.672 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.449 -4.735 5.039 1.00 0.00 H new ATOM 1081 N GLY A 75 13.077 -3.321 3.291 1.00 0.00 N ATOM 1082 CA GLY A 75 14.163 -3.002 2.380 1.00 0.00 C ATOM 1083 C GLY A 75 14.394 -4.140 1.383 1.00 0.00 C ATOM 1084 O GLY A 75 15.485 -4.707 1.325 1.00 0.00 O ATOM 0 H GLY A 75 12.155 -3.363 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.933 -2.083 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.076 -2.819 2.947 1.00 0.00 H new ATOM 1088 N ASP A 76 13.351 -4.440 0.624 1.00 0.00 N ATOM 1089 CA ASP A 76 13.427 -5.499 -0.367 1.00 0.00 C ATOM 1090 C ASP A 76 12.019 -6.029 -0.650 1.00 0.00 C ATOM 1091 O ASP A 76 11.652 -6.242 -1.804 1.00 0.00 O ATOM 1092 CB ASP A 76 14.279 -6.666 0.137 1.00 0.00 C ATOM 1093 CG ASP A 76 15.696 -6.727 -0.436 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.101 -5.720 -1.056 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.342 -7.779 -0.241 1.00 0.00 O ATOM 0 H ASP A 76 12.448 -3.968 0.675 1.00 0.00 H new ATOM 0 HA ASP A 76 13.880 -5.085 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.345 -6.605 1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.767 -7.599 -0.100 1.00 0.00 H new ATOM 1100 N SER A 77 11.270 -6.227 0.424 1.00 0.00 N ATOM 1101 CA SER A 77 9.911 -6.728 0.307 1.00 0.00 C ATOM 1102 C SER A 77 9.027 -6.104 1.389 1.00 0.00 C ATOM 1103 O SER A 77 9.516 -5.728 2.453 1.00 0.00 O ATOM 1104 CB SER A 77 9.876 -8.255 0.408 1.00 0.00 C ATOM 1105 OG SER A 77 10.070 -8.705 1.746 1.00 0.00 O ATOM 0 H SER A 77 11.578 -6.050 1.380 1.00 0.00 H new ATOM 0 HA SER A 77 9.527 -6.447 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.919 -8.621 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.649 -8.679 -0.233 1.00 0.00 H new ATOM 0 HG SER A 77 10.039 -9.684 1.769 1.00 0.00 H new ATOM 1111 N GLU A 78 7.742 -6.013 1.079 1.00 0.00 N ATOM 1112 CA GLU A 78 6.786 -5.441 2.011 1.00 0.00 C ATOM 1113 C GLU A 78 5.445 -6.170 1.911 1.00 0.00 C ATOM 1114 O GLU A 78 5.100 -6.701 0.856 1.00 0.00 O ATOM 1115 CB GLU A 78 6.614 -3.940 1.768 1.00 0.00 C ATOM 1116 CG GLU A 78 7.966 -3.266 1.526 1.00 0.00 C ATOM 1117 CD GLU A 78 8.811 -3.258 2.801 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.311 -3.787 3.817 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.939 -2.722 2.731 1.00 0.00 O ATOM 0 H GLU A 78 7.341 -6.326 0.195 1.00 0.00 H new ATOM 0 HA GLU A 78 7.172 -5.570 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.964 -3.779 0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.124 -3.482 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.501 -3.790 0.734 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.810 -2.243 1.182 1.00 0.00 H new ATOM 1126 N VAL A 79 4.724 -6.173 3.022 1.00 0.00 N ATOM 1127 CA VAL A 79 3.428 -6.828 3.072 1.00 0.00 C ATOM 1128 C VAL A 79 2.571 -6.171 4.156 1.00 0.00 C ATOM 1129 O VAL A 79 3.090 -5.728 5.179 1.00 0.00 O ATOM 1130 CB VAL A 79 3.610 -8.333 3.285 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.317 -8.618 4.612 1.00 0.00 C ATOM 1132 CG2 VAL A 79 2.268 -9.063 3.210 1.00 0.00 C ATOM 0 H VAL A 79 5.013 -5.732 3.895 1.00 0.00 H new ATOM 0 HA VAL A 79 2.903 -6.708 2.124 1.00 0.00 H new ATOM 0 HB VAL A 79 4.242 -8.711 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.434 -9.694 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.299 -8.144 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.723 -8.218 5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.425 -10.130 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.601 -8.679 3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.820 -8.901 2.230 1.00 0.00 H new ATOM 1142 N TYR A 80 1.273 -6.129 3.894 1.00 0.00 N ATOM 1143 CA TYR A 80 0.338 -5.533 4.834 1.00 0.00 C ATOM 1144 C TYR A 80 -1.013 -6.250 4.792 1.00 0.00 C ATOM 1145 O TYR A 80 -1.639 -6.342 3.738 1.00 0.00 O ATOM 1146 CB TYR A 80 0.148 -4.085 4.378 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.388 -3.155 5.469 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.740 -3.123 5.745 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.480 -2.348 6.176 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -2.244 -2.248 6.772 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -0.024 -1.473 7.202 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.362 -1.467 7.450 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.838 -0.640 8.419 1.00 0.00 O ATOM 0 H TYR A 80 0.846 -6.498 3.044 1.00 0.00 H new ATOM 0 HA TYR A 80 0.719 -5.604 5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.103 -3.698 4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.538 -4.068 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.420 -3.754 5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.538 -2.373 5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.299 -2.213 6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.644 -0.836 7.762 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.153 0.021 8.650 1.00 0.00 H new ATOM 1163 N THR A 81 -1.422 -6.739 5.954 1.00 0.00 N ATOM 1164 CA THR A 81 -2.688 -7.445 6.064 1.00 0.00 C ATOM 1165 C THR A 81 -3.820 -6.464 6.372 1.00 0.00 C ATOM 1166 O THR A 81 -4.037 -6.103 7.528 1.00 0.00 O ATOM 1167 CB THR A 81 -2.528 -8.540 7.120 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.735 -9.533 6.474 1.00 0.00 O ATOM 1169 CG2 THR A 81 -3.845 -9.256 7.425 1.00 0.00 C ATOM 0 H THR A 81 -0.900 -6.660 6.827 1.00 0.00 H new ATOM 0 HA THR A 81 -2.960 -7.920 5.121 1.00 0.00 H new ATOM 0 HB THR A 81 -2.131 -8.104 8.037 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.581 -10.280 7.089 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.676 -10.023 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.573 -8.535 7.797 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.226 -9.720 6.515 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.514 -6.060 5.318 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.619 -5.127 5.462 1.00 0.00 C ATOM 1179 C LEU A 82 -6.825 -5.860 6.054 1.00 0.00 C ATOM 1180 O LEU A 82 -7.286 -6.855 5.498 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.914 -4.436 4.129 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.801 -3.543 3.576 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.989 -3.296 2.078 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.704 -2.236 4.365 1.00 0.00 C ATOM 0 H LEU A 82 -4.333 -6.362 4.361 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.356 -4.330 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.140 -5.202 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.813 -3.831 4.247 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.852 -4.065 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.185 -2.659 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.969 -4.248 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.947 -2.805 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.906 -1.620 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.650 -1.698 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.488 -2.457 5.410 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.300 -5.339 7.176 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.443 -5.931 7.850 1.00 0.00 C ATOM 1198 C ASP A 83 -9.548 -4.881 7.989 1.00 0.00 C ATOM 1199 O ASP A 83 -9.312 -3.694 7.769 1.00 0.00 O ATOM 1200 CB ASP A 83 -8.068 -6.410 9.253 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.186 -5.448 10.051 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.866 -4.376 9.493 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -6.851 -5.806 11.201 1.00 0.00 O ATOM 0 H ASP A 83 -6.914 -4.514 7.635 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.781 -6.781 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.984 -6.591 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.552 -7.366 9.168 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.730 -5.356 8.353 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.871 -4.473 8.525 1.00 0.00 C ATOM 1210 C ASN A 84 -12.541 -4.244 7.168 1.00 0.00 C ATOM 1211 O ASN A 84 -12.883 -3.114 6.824 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.437 -3.113 9.074 1.00 0.00 C ATOM 1213 CG ASN A 84 -10.358 -3.273 10.147 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -9.231 -2.830 10.001 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.766 -3.929 11.229 1.00 0.00 N ATOM 0 H ASN A 84 -10.922 -6.341 8.534 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.559 -4.942 9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.058 -2.493 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.299 -2.595 9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.121 -4.088 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.725 -4.273 11.286 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.708 -5.335 6.435 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.331 -5.267 5.124 1.00 0.00 C ATOM 1224 C LEU A 85 -14.798 -5.687 5.238 1.00 0.00 C ATOM 1225 O LEU A 85 -15.353 -5.723 6.335 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.534 -6.088 4.108 1.00 0.00 C ATOM 1227 CG LEU A 85 -11.049 -5.740 3.983 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.347 -5.836 5.339 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.370 -6.610 2.923 1.00 0.00 C ATOM 0 H LEU A 85 -12.423 -6.271 6.724 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.320 -4.243 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.619 -7.141 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.999 -5.969 3.129 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.967 -4.705 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.293 -5.584 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.811 -5.141 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.436 -6.852 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.316 -6.343 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.461 -7.660 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.849 -6.448 1.958 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.384 -5.993 4.090 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.775 -6.409 4.048 1.00 0.00 C ATOM 1243 C LYS A 86 -16.844 -7.929 3.886 1.00 0.00 C ATOM 1244 O LYS A 86 -15.817 -8.606 3.906 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.531 -5.641 2.963 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.809 -5.014 3.524 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.726 -4.535 2.396 1.00 0.00 C ATOM 1248 CE LYS A 86 -21.054 -5.296 2.409 1.00 0.00 C ATOM 1249 NZ LYS A 86 -22.091 -4.539 1.673 1.00 0.00 N ATOM 0 H LYS A 86 -14.921 -5.961 3.182 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.274 -6.165 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.890 -4.862 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.782 -6.314 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.335 -5.743 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.553 -4.175 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.914 -3.467 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.231 -4.676 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.922 -6.278 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.376 -5.460 3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.986 -5.069 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.229 -3.611 2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.788 -4.404 0.687 1.00 0.00 H new ATOM 1263 N LYS A 87 -18.064 -8.421 3.731 1.00 0.00 N ATOM 1264 CA LYS A 87 -18.280 -9.849 3.566 1.00 0.00 C ATOM 1265 C LYS A 87 -18.702 -10.133 2.123 1.00 0.00 C ATOM 1266 O LYS A 87 -19.788 -9.739 1.701 1.00 0.00 O ATOM 1267 CB LYS A 87 -19.273 -10.364 4.610 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.556 -10.748 5.906 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.560 -11.020 7.028 1.00 0.00 C ATOM 1270 CE LYS A 87 -19.420 -12.450 7.554 1.00 0.00 C ATOM 1271 NZ LYS A 87 -20.188 -13.391 6.708 1.00 0.00 N ATOM 0 H LYS A 87 -18.913 -7.857 3.716 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.355 -10.398 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.019 -9.597 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.806 -11.229 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.944 -11.634 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.881 -9.946 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.402 -10.312 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.574 -10.862 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.369 -12.738 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.777 -12.502 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.082 -14.357 7.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -21.193 -13.125 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.829 -13.353 5.733 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.820 -10.815 1.406 1.00 0.00 N ATOM 1286 CA PHE A 88 -18.088 -11.157 0.019 1.00 0.00 C ATOM 1287 C PHE A 88 -18.366 -9.902 -0.811 1.00 0.00 C ATOM 1288 O PHE A 88 -19.461 -9.736 -1.344 1.00 0.00 O ATOM 1289 CB PHE A 88 -19.333 -12.046 0.010 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.655 -12.651 -1.358 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.647 -13.016 -2.195 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.950 -12.823 -1.738 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.946 -13.577 -3.464 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -21.249 -13.384 -3.007 1.00 0.00 C ATOM 1295 CZ PHE A 88 -20.241 -13.749 -3.844 1.00 0.00 C ATOM 0 H PHE A 88 -16.920 -11.140 1.759 1.00 0.00 H new ATOM 0 HA PHE A 88 -17.224 -11.662 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -19.196 -12.853 0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -20.188 -11.460 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.619 -12.879 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.751 -12.533 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -18.145 -13.867 -4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -22.277 -13.521 -3.308 1.00 0.00 H new ATOM 0 HZ PHE A 88 -20.468 -14.175 -4.810 1.00 0.00 H new ATOM 1305 N ALA A 89 -17.354 -9.051 -0.894 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.475 -7.816 -1.650 1.00 0.00 C ATOM 1307 C ALA A 89 -16.139 -7.503 -2.325 1.00 0.00 C ATOM 1308 O ALA A 89 -15.088 -7.948 -1.867 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.937 -6.691 -0.721 1.00 0.00 C ATOM 0 H ALA A 89 -16.447 -9.192 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.224 -7.919 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -18.028 -5.765 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.905 -6.949 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -17.208 -6.557 0.078 1.00 0.00 H new ATOM 1315 N GLN A 90 -16.222 -6.739 -3.405 1.00 0.00 N ATOM 1316 CA GLN A 90 -15.032 -6.361 -4.148 1.00 0.00 C ATOM 1317 C GLN A 90 -14.260 -5.274 -3.397 1.00 0.00 C ATOM 1318 O GLN A 90 -14.859 -4.372 -2.813 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.391 -5.900 -5.562 1.00 0.00 C ATOM 1320 CG GLN A 90 -14.211 -5.186 -6.222 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.544 -4.793 -7.663 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -15.075 -3.729 -7.937 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.204 -5.709 -8.566 1.00 0.00 N ATOM 0 H GLN A 90 -17.095 -6.372 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.391 -7.238 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.684 -6.759 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.250 -5.230 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.953 -4.295 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.336 -5.836 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.762 -6.579 -8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.385 -5.541 -9.556 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.941 -5.396 -3.435 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.081 -4.435 -2.765 1.00 0.00 C ATOM 1334 C TYR A 91 -10.862 -4.097 -3.626 1.00 0.00 C ATOM 1335 O TYR A 91 -10.226 -4.989 -4.186 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.609 -5.117 -1.480 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.421 -4.737 -0.240 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -13.768 -5.030 -0.181 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -11.806 -4.102 0.820 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -14.533 -4.672 0.986 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -12.570 -3.745 1.987 1.00 0.00 C ATOM 1342 CZ TYR A 91 -13.896 -4.047 2.012 1.00 0.00 C ATOM 1343 OH TYR A 91 -14.618 -3.710 3.114 1.00 0.00 O ATOM 0 H TYR A 91 -12.447 -6.146 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.619 -3.507 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.656 -6.197 -1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.563 -4.863 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -14.249 -5.528 -1.010 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.752 -3.873 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -15.588 -4.895 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.101 -3.249 2.824 1.00 0.00 H new ATOM 0 HH TYR A 91 -14.335 -2.827 3.433 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.573 -2.806 -3.706 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.442 -2.339 -4.489 1.00 0.00 C ATOM 1355 C GLY A 92 -8.509 -1.472 -3.642 1.00 0.00 C ATOM 1356 O GLY A 92 -8.936 -0.468 -3.072 1.00 0.00 O ATOM 0 H GLY A 92 -11.103 -2.069 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.892 -3.193 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.799 -1.766 -5.345 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.253 -1.890 -3.585 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.257 -1.164 -2.817 1.00 0.00 C ATOM 1362 C VAL A 93 -5.129 -0.714 -3.748 1.00 0.00 C ATOM 1363 O VAL A 93 -5.008 -1.211 -4.867 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.762 -2.027 -1.654 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.877 -2.936 -1.134 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.533 -2.842 -2.060 1.00 0.00 C ATOM 0 H VAL A 93 -6.903 -2.723 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.694 -0.267 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.468 -1.361 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.500 -3.539 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.711 -2.326 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.216 -3.591 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.202 -3.446 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.789 -3.495 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.731 -2.167 -2.360 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.334 0.223 -3.253 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.221 0.746 -4.027 1.00 0.00 C ATOM 1378 C VAL A 94 -2.018 0.953 -3.105 1.00 0.00 C ATOM 1379 O VAL A 94 -2.097 1.705 -2.135 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.644 2.023 -4.755 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.677 1.719 -5.842 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.177 3.065 -3.769 1.00 0.00 C ATOM 0 H VAL A 94 -4.438 0.634 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.922 0.034 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.761 2.440 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.960 2.644 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.248 1.029 -6.569 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.559 1.267 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.471 3.963 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.042 2.660 -3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.399 3.315 -3.048 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.931 0.274 -3.442 1.00 0.00 N ATOM 1393 CA VAL A 95 0.287 0.374 -2.656 1.00 0.00 C ATOM 1394 C VAL A 95 1.218 1.407 -3.297 1.00 0.00 C ATOM 1395 O VAL A 95 1.232 1.563 -4.517 1.00 0.00 O ATOM 1396 CB VAL A 95 0.933 -1.005 -2.514 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.065 -0.977 -1.484 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.110 -2.065 -2.153 1.00 0.00 C ATOM 0 H VAL A 95 -0.869 -0.347 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 95 0.063 0.719 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 95 1.364 -1.274 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.507 -1.970 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.827 -0.265 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.668 -0.676 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.376 -3.036 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.584 -1.802 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.866 -2.113 -2.936 1.00 0.00 H new ATOM 1408 N GLN A 96 1.972 2.085 -2.444 1.00 0.00 N ATOM 1409 CA GLN A 96 2.903 3.098 -2.912 1.00 0.00 C ATOM 1410 C GLN A 96 4.080 3.225 -1.941 1.00 0.00 C ATOM 1411 O GLN A 96 3.907 3.098 -0.730 1.00 0.00 O ATOM 1412 CB GLN A 96 2.200 4.443 -3.101 1.00 0.00 C ATOM 1413 CG GLN A 96 0.999 4.571 -2.162 1.00 0.00 C ATOM 1414 CD GLN A 96 0.208 5.848 -2.454 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.998 5.835 -2.636 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.953 6.949 -2.488 1.00 0.00 N ATOM 0 H GLN A 96 1.957 1.953 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 96 3.290 2.789 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.903 5.254 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.870 4.543 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.350 3.703 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.341 4.580 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.958 6.890 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.519 7.853 -2.675 1.00 0.00 H new ATOM 1425 N ALA A 97 5.250 3.475 -2.510 1.00 0.00 N ATOM 1426 CA ALA A 97 6.454 3.621 -1.711 1.00 0.00 C ATOM 1427 C ALA A 97 6.646 5.096 -1.350 1.00 0.00 C ATOM 1428 O ALA A 97 6.491 5.972 -2.199 1.00 0.00 O ATOM 1429 CB ALA A 97 7.649 3.049 -2.477 1.00 0.00 C ATOM 0 H ALA A 97 5.390 3.580 -3.515 1.00 0.00 H new ATOM 0 HA ALA A 97 6.366 3.062 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.552 3.159 -1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.477 1.993 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.770 3.587 -3.417 1.00 0.00 H new ATOM 1435 N PHE A 98 6.980 5.324 -0.088 1.00 0.00 N ATOM 1436 CA PHE A 98 7.194 6.678 0.396 1.00 0.00 C ATOM 1437 C PHE A 98 8.485 6.770 1.211 1.00 0.00 C ATOM 1438 O PHE A 98 8.783 5.885 2.012 1.00 0.00 O ATOM 1439 CB PHE A 98 6.008 7.023 1.299 1.00 0.00 C ATOM 1440 CG PHE A 98 6.144 6.502 2.731 1.00 0.00 C ATOM 1441 CD1 PHE A 98 7.072 7.043 3.566 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.338 5.498 3.169 1.00 0.00 C ATOM 1443 CE1 PHE A 98 7.198 6.559 4.895 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.464 5.015 4.498 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.391 5.556 5.333 1.00 0.00 C ATOM 0 H PHE A 98 7.108 4.595 0.614 1.00 0.00 H new ATOM 0 HA PHE A 98 7.277 7.366 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.889 8.106 1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.099 6.614 0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.712 7.840 3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.602 5.068 2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.935 6.988 5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.824 4.218 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.486 5.189 6.344 1.00 0.00 H new ATOM 1455 N ASN A 99 9.217 7.850 0.980 1.00 0.00 N ATOM 1456 CA ASN A 99 10.469 8.070 1.684 1.00 0.00 C ATOM 1457 C ASN A 99 10.423 9.429 2.386 1.00 0.00 C ATOM 1458 O ASN A 99 9.440 10.159 2.269 1.00 0.00 O ATOM 1459 CB ASN A 99 11.652 8.079 0.713 1.00 0.00 C ATOM 1460 CG ASN A 99 11.416 7.111 -0.448 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.600 6.207 -0.380 1.00 0.00 O ATOM 1462 ND2 ASN A 99 12.174 7.351 -1.514 1.00 0.00 N ATOM 0 H ASN A 99 8.967 8.582 0.315 1.00 0.00 H new ATOM 0 HA ASN A 99 10.598 7.261 2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.802 9.087 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.564 7.802 1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.092 6.761 -2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.838 8.125 -1.504 1.00 0.00 H new ATOM 1469 N ARG A 100 11.499 9.727 3.100 1.00 0.00 N ATOM 1470 CA ARG A 100 11.593 10.985 3.821 1.00 0.00 C ATOM 1471 C ARG A 100 11.474 12.163 2.851 1.00 0.00 C ATOM 1472 O ARG A 100 11.114 13.268 3.253 1.00 0.00 O ATOM 1473 CB ARG A 100 12.920 11.088 4.576 1.00 0.00 C ATOM 1474 CG ARG A 100 12.843 10.360 5.920 1.00 0.00 C ATOM 1475 CD ARG A 100 13.749 11.026 6.957 1.00 0.00 C ATOM 1476 NE ARG A 100 13.108 10.985 8.290 1.00 0.00 N ATOM 1477 CZ ARG A 100 12.137 11.820 8.683 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.690 12.768 7.847 1.00 0.00 N ATOM 1479 NH2 ARG A 100 11.614 11.709 9.911 1.00 0.00 N ATOM 0 H ARG A 100 12.313 9.119 3.194 1.00 0.00 H new ATOM 0 HA ARG A 100 10.774 11.018 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.720 10.661 3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.169 12.136 4.740 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.814 10.359 6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.137 9.318 5.791 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.712 10.516 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.945 12.059 6.670 1.00 0.00 H new ATOM 0 HE ARG A 100 13.425 10.276 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.089 12.853 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.951 13.404 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.955 10.988 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.875 12.345 10.210 1.00 0.00 H new ATOM 1493 N ALA A 101 11.782 11.885 1.593 1.00 0.00 N ATOM 1494 CA ALA A 101 11.714 12.908 0.563 1.00 0.00 C ATOM 1495 C ALA A 101 10.249 13.174 0.211 1.00 0.00 C ATOM 1496 O ALA A 101 9.904 14.264 -0.244 1.00 0.00 O ATOM 1497 CB ALA A 101 12.534 12.466 -0.651 1.00 0.00 C ATOM 0 H ALA A 101 12.079 10.967 1.263 1.00 0.00 H new ATOM 0 HA ALA A 101 12.142 13.844 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.483 13.233 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.572 12.318 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.132 11.531 -1.041 1.00 0.00 H new ATOM 1503 N GLY A 102 9.426 12.160 0.434 1.00 0.00 N ATOM 1504 CA GLY A 102 8.006 12.270 0.147 1.00 0.00 C ATOM 1505 C GLY A 102 7.427 10.921 -0.282 1.00 0.00 C ATOM 1506 O GLY A 102 7.942 9.871 0.099 1.00 0.00 O ATOM 0 H GLY A 102 9.716 11.257 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.480 12.631 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.847 13.005 -0.642 1.00 0.00 H new ATOM 1510 N THR A 103 6.364 10.992 -1.070 1.00 0.00 N ATOM 1511 CA THR A 103 5.709 9.789 -1.555 1.00 0.00 C ATOM 1512 C THR A 103 5.699 9.768 -3.085 1.00 0.00 C ATOM 1513 O THR A 103 5.796 10.813 -3.725 1.00 0.00 O ATOM 1514 CB THR A 103 4.311 9.730 -0.937 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.551 9.738 0.467 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.616 8.391 -1.189 1.00 0.00 C ATOM 0 H THR A 103 5.940 11.865 -1.385 1.00 0.00 H new ATOM 0 HA THR A 103 6.251 8.893 -1.252 1.00 0.00 H new ATOM 0 HB THR A 103 3.701 10.537 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.696 9.704 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.628 8.402 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.516 8.230 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.209 7.586 -0.755 1.00 0.00 H new ATOM 1524 N GLY A 104 5.581 8.564 -3.627 1.00 0.00 N ATOM 1525 CA GLY A 104 5.557 8.392 -5.070 1.00 0.00 C ATOM 1526 C GLY A 104 4.170 7.957 -5.547 1.00 0.00 C ATOM 1527 O GLY A 104 3.204 8.008 -4.787 1.00 0.00 O ATOM 0 H GLY A 104 5.501 7.699 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.836 9.327 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.297 7.647 -5.363 1.00 0.00 H new ATOM 1531 N PRO A 105 4.114 7.528 -6.836 1.00 0.00 N ATOM 1532 CA PRO A 105 2.862 7.085 -7.424 1.00 0.00 C ATOM 1533 C PRO A 105 2.476 5.697 -6.909 1.00 0.00 C ATOM 1534 O PRO A 105 3.318 4.967 -6.389 1.00 0.00 O ATOM 1535 CB PRO A 105 3.098 7.117 -8.925 1.00 0.00 C ATOM 1536 CG PRO A 105 4.607 7.128 -9.109 1.00 0.00 C ATOM 1537 CD PRO A 105 5.238 7.455 -7.765 1.00 0.00 C ATOM 0 HA PRO A 105 2.021 7.724 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.652 6.248 -9.409 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.643 8.000 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.955 6.160 -9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.895 7.868 -9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.951 6.687 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 105 5.783 8.398 -7.802 1.00 0.00 H new ATOM 1545 N SER A 106 1.201 5.373 -7.072 1.00 0.00 N ATOM 1546 CA SER A 106 0.693 4.086 -6.630 1.00 0.00 C ATOM 1547 C SER A 106 0.616 3.119 -7.814 1.00 0.00 C ATOM 1548 O SER A 106 0.690 3.539 -8.968 1.00 0.00 O ATOM 1549 CB SER A 106 -0.681 4.231 -5.974 1.00 0.00 C ATOM 1550 OG SER A 106 -0.825 5.483 -5.308 1.00 0.00 O ATOM 0 H SER A 106 0.505 5.980 -7.504 1.00 0.00 H new ATOM 0 HA SER A 106 1.381 3.685 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.457 4.133 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.829 3.421 -5.260 1.00 0.00 H new ATOM 0 HG SER A 106 -1.646 5.476 -4.772 1.00 0.00 H new ATOM 1556 N SER A 107 0.469 1.844 -7.487 1.00 0.00 N ATOM 1557 CA SER A 107 0.382 0.815 -8.508 1.00 0.00 C ATOM 1558 C SER A 107 -1.057 0.704 -9.018 1.00 0.00 C ATOM 1559 O SER A 107 -1.993 1.123 -8.339 1.00 0.00 O ATOM 1560 CB SER A 107 0.860 -0.536 -7.972 1.00 0.00 C ATOM 1561 OG SER A 107 0.149 -0.927 -6.800 1.00 0.00 O ATOM 0 H SER A 107 0.408 1.500 -6.529 1.00 0.00 H new ATOM 0 HA SER A 107 1.034 1.098 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.735 -1.297 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.925 -0.481 -7.748 1.00 0.00 H new ATOM 0 HG SER A 107 0.778 -1.035 -6.056 1.00 0.00 H new ATOM 1567 N SER A 108 -1.187 0.138 -10.208 1.00 0.00 N ATOM 1568 CA SER A 108 -2.496 -0.033 -10.817 1.00 0.00 C ATOM 1569 C SER A 108 -3.454 -0.690 -9.821 1.00 0.00 C ATOM 1570 O SER A 108 -3.193 -1.790 -9.336 1.00 0.00 O ATOM 1571 CB SER A 108 -2.404 -0.869 -12.095 1.00 0.00 C ATOM 1572 OG SER A 108 -1.055 -1.064 -12.510 1.00 0.00 O ATOM 0 H SER A 108 -0.408 -0.208 -10.768 1.00 0.00 H new ATOM 0 HA SER A 108 -2.880 0.951 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.876 -1.838 -11.929 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.961 -0.376 -12.892 1.00 0.00 H new ATOM 0 HG SER A 108 -1.039 -1.604 -13.328 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.543 0.012 -9.545 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.541 -0.489 -8.616 1.00 0.00 C ATOM 1580 C GLU A 109 -6.034 -1.868 -9.059 1.00 0.00 C ATOM 1581 O GLU A 109 -6.474 -2.039 -10.195 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.707 0.493 -8.482 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.741 -0.017 -7.477 1.00 0.00 C ATOM 1584 CD GLU A 109 -9.140 0.500 -7.818 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -9.216 1.643 -8.319 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.102 -0.258 -7.569 1.00 0.00 O ATOM 0 H GLU A 109 -4.756 0.924 -9.949 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.078 -0.589 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.333 1.466 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -7.179 0.637 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.743 -1.107 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.466 0.304 -6.472 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.944 -2.817 -8.139 1.00 0.00 N ATOM 1594 CA ILE A 110 -6.375 -4.175 -8.420 1.00 0.00 C ATOM 1595 C ILE A 110 -7.710 -4.438 -7.720 1.00 0.00 C ATOM 1596 O ILE A 110 -8.401 -3.501 -7.322 1.00 0.00 O ATOM 1597 CB ILE A 110 -5.278 -5.174 -8.046 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.900 -4.508 -8.066 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -5.330 -6.409 -8.948 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.792 -5.531 -7.808 1.00 0.00 C ATOM 0 H ILE A 110 -5.579 -2.672 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.544 -4.307 -9.489 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.458 -5.512 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.739 -4.027 -9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.860 -3.725 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.540 -7.103 -8.661 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.298 -6.897 -8.841 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.189 -6.108 -9.986 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.824 -5.031 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.943 -5.992 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.819 -6.300 -8.580 1.00 0.00 H new ATOM 1612 N ASN A 111 -8.032 -5.716 -7.591 1.00 0.00 N ATOM 1613 CA ASN A 111 -9.272 -6.114 -6.945 1.00 0.00 C ATOM 1614 C ASN A 111 -9.085 -7.485 -6.293 1.00 0.00 C ATOM 1615 O ASN A 111 -8.250 -8.275 -6.728 1.00 0.00 O ATOM 1616 CB ASN A 111 -10.411 -6.225 -7.961 1.00 0.00 C ATOM 1617 CG ASN A 111 -10.015 -7.125 -9.133 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.046 -6.884 -9.834 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.815 -8.172 -9.305 1.00 0.00 N ATOM 0 H ASN A 111 -7.456 -6.490 -7.923 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.524 -5.357 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -11.300 -6.626 -7.474 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.671 -5.233 -8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.635 -8.833 -10.061 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.610 -8.315 -8.681 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.878 -7.725 -5.258 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.811 -8.987 -4.541 1.00 0.00 C ATOM 1628 C ALA A 112 -11.063 -9.146 -3.677 1.00 0.00 C ATOM 1629 O ALA A 112 -11.082 -8.725 -2.522 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.523 -9.038 -3.716 1.00 0.00 C ATOM 0 H ALA A 112 -10.570 -7.067 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.785 -9.823 -5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.473 -9.985 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.662 -8.951 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.515 -8.214 -3.002 1.00 0.00 H new ATOM 1636 N THR A 113 -12.080 -9.753 -4.271 1.00 0.00 N ATOM 1637 CA THR A 113 -13.334 -9.972 -3.570 1.00 0.00 C ATOM 1638 C THR A 113 -13.131 -10.941 -2.404 1.00 0.00 C ATOM 1639 O THR A 113 -12.929 -12.136 -2.612 1.00 0.00 O ATOM 1640 CB THR A 113 -14.367 -10.457 -4.589 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.491 -9.370 -5.503 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.765 -10.597 -3.985 1.00 0.00 C ATOM 0 H THR A 113 -12.061 -10.100 -5.230 1.00 0.00 H new ATOM 0 HA THR A 113 -13.704 -9.049 -3.124 1.00 0.00 H new ATOM 0 HB THR A 113 -14.050 -11.417 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.141 -9.600 -6.199 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.459 -10.944 -4.751 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.738 -11.317 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 113 -16.096 -9.630 -3.606 1.00 0.00 H new ATOM 1650 N THR A 114 -13.190 -10.388 -1.201 1.00 0.00 N ATOM 1651 CA THR A 114 -13.015 -11.188 0.000 1.00 0.00 C ATOM 1652 C THR A 114 -13.841 -12.473 -0.091 1.00 0.00 C ATOM 1653 O THR A 114 -14.899 -12.492 -0.717 1.00 0.00 O ATOM 1654 CB THR A 114 -13.375 -10.318 1.205 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.703 -9.880 0.933 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.560 -9.024 1.257 1.00 0.00 C ATOM 0 H THR A 114 -13.356 -9.396 -1.032 1.00 0.00 H new ATOM 0 HA THR A 114 -11.980 -11.511 0.113 1.00 0.00 H new ATOM 0 HB THR A 114 -13.216 -10.885 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.016 -9.310 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.855 -8.443 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.499 -9.265 1.322 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.745 -8.441 0.355 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.326 -13.516 0.545 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.003 -14.801 0.544 1.00 0.00 C ATOM 1666 C LEU A 115 -15.485 -14.593 0.864 1.00 0.00 C ATOM 1667 O LEU A 115 -15.865 -13.562 1.417 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.301 -15.777 1.491 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.811 -16.008 1.231 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.238 -17.039 2.206 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.562 -16.398 -0.227 1.00 0.00 C ATOM 0 H LEU A 115 -12.448 -13.497 1.064 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.951 -15.258 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.419 -15.411 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.813 -16.738 1.435 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.284 -15.070 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.178 -17.185 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.363 -16.682 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.765 -17.986 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.495 -16.556 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.103 -17.317 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.911 -15.599 -0.882 1.00 0.00 H new