USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 848 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 70 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.6) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc=-0.00165 USER MOD Set 2.1: A 16 LYS NZ :NH3+ 170:sc= 0.77 (180deg=-0.0407) USER MOD Set 2.2: A 18 THR OG1 : rot 150:sc= 0.171 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.622 USER MOD Set 3.2: A 34 THR OG1 : rot -83:sc= 0.689 USER MOD Single : A 13 GLN : amide:sc= -2.84! K(o=-2.8!,f=-1.7) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 17 GLN : amide:sc= 0.0164 X(o=0.016,f=0) USER MOD Single : A 22 THR OG1 : rot -75:sc= 0.502 USER MOD Single : A 28 THR OG1 : rot -20:sc= 0.932 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0999 USER MOD Single : A 40 ASN : amide:sc= -1.05 K(o=-1,f=-4.4!) USER MOD Single : A 41 MET CE :methyl 137:sc= -0.152 (180deg=-0.646) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 88:sc= 0.537 USER MOD Single : A 58 THR OG1 : rot 84:sc= 0.464 USER MOD Single : A 65 TYR OH : rot 130:sc= -0.107 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= -0.0443 (180deg=-0.257) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 88 ASN : amide:sc= -0.388 K(o=-0.39,f=-7.7!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 106 CYS SG : rot -130:sc= -3.46! USER MOD ----------------------------------------------------------------- ATOM 84 N LEU A 6 11.537 -15.117 6.861 1.00 0.00 N ATOM 85 CA LEU A 6 11.328 -13.931 6.026 1.00 0.00 C ATOM 86 C LEU A 6 12.422 -13.888 4.943 1.00 0.00 C ATOM 87 O LEU A 6 13.452 -13.209 5.079 1.00 0.00 O ATOM 88 CB LEU A 6 11.301 -12.642 6.893 1.00 0.00 C ATOM 89 CG LEU A 6 10.135 -12.497 7.933 1.00 0.00 C ATOM 90 CD1 LEU A 6 8.752 -12.724 7.292 1.00 0.00 C ATOM 91 CD2 LEU A 6 10.336 -13.398 9.169 1.00 0.00 C ATOM 0 HA LEU A 6 10.358 -13.987 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.245 -12.580 7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.262 -11.785 6.221 1.00 0.00 H new ATOM 0 HG LEU A 6 10.165 -11.464 8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.977 -12.613 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.593 -11.991 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.707 -13.728 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.503 -13.261 9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.380 -14.441 8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.267 -13.129 9.668 1.00 0.00 H new ATOM 103 N ARG A 7 12.176 -14.679 3.878 1.00 0.00 N ATOM 104 CA ARG A 7 13.162 -14.998 2.823 1.00 0.00 C ATOM 105 C ARG A 7 13.321 -13.857 1.792 1.00 0.00 C ATOM 106 O ARG A 7 14.348 -13.766 1.111 1.00 0.00 O ATOM 107 CB ARG A 7 12.740 -16.310 2.105 1.00 0.00 C ATOM 108 CG ARG A 7 11.360 -16.225 1.417 1.00 0.00 C ATOM 109 CD ARG A 7 10.977 -17.492 0.644 1.00 0.00 C ATOM 110 NE ARG A 7 9.665 -17.356 -0.027 1.00 0.00 N ATOM 111 CZ ARG A 7 8.596 -18.148 0.166 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.600 -19.106 1.089 1.00 0.00 N ATOM 113 NH2 ARG A 7 7.512 -17.967 -0.561 1.00 0.00 N ATOM 0 H ARG A 7 11.270 -15.122 3.724 1.00 0.00 H new ATOM 0 HA ARG A 7 14.131 -15.125 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.493 -16.564 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.725 -17.122 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.599 -16.027 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.357 -15.377 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.744 -17.709 -0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.948 -18.340 1.329 1.00 0.00 H new ATOM 0 HE ARG A 7 9.563 -16.593 -0.696 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.426 -19.252 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.777 -19.694 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.487 -17.229 -1.265 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.697 -18.564 -0.420 1.00 0.00 H new ATOM 127 N ASP A 8 12.299 -13.003 1.685 1.00 0.00 N ATOM 128 CA ASP A 8 12.222 -11.910 0.699 1.00 0.00 C ATOM 129 C ASP A 8 12.516 -10.570 1.370 1.00 0.00 C ATOM 130 O ASP A 8 12.842 -10.505 2.564 1.00 0.00 O ATOM 131 CB ASP A 8 10.801 -11.843 0.061 1.00 0.00 C ATOM 132 CG ASP A 8 10.410 -13.129 -0.664 1.00 0.00 C ATOM 133 OD1 ASP A 8 10.895 -13.357 -1.787 1.00 0.00 O ATOM 134 OD2 ASP A 8 9.642 -13.927 -0.105 1.00 0.00 O ATOM 0 H ASP A 8 11.481 -13.050 2.293 1.00 0.00 H new ATOM 0 HA ASP A 8 12.962 -12.108 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 8 10.068 -11.635 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.763 -11.011 -0.642 1.00 0.00 H new ATOM 139 N ARG A 9 12.374 -9.502 0.571 1.00 0.00 N ATOM 140 CA ARG A 9 12.452 -8.109 1.016 1.00 0.00 C ATOM 141 C ARG A 9 11.406 -7.279 0.272 1.00 0.00 C ATOM 142 O ARG A 9 11.080 -7.570 -0.886 1.00 0.00 O ATOM 143 CB ARG A 9 13.861 -7.517 0.773 1.00 0.00 C ATOM 144 CG ARG A 9 14.952 -8.047 1.727 1.00 0.00 C ATOM 145 CD ARG A 9 16.344 -7.510 1.388 1.00 0.00 C ATOM 146 NE ARG A 9 16.783 -7.954 0.043 1.00 0.00 N ATOM 147 CZ ARG A 9 17.328 -7.174 -0.903 1.00 0.00 C ATOM 148 NH1 ARG A 9 17.493 -5.873 -0.700 1.00 0.00 N ATOM 149 NH2 ARG A 9 17.686 -7.700 -2.064 1.00 0.00 N ATOM 0 H ARG A 9 12.197 -9.590 -0.430 1.00 0.00 H new ATOM 0 HA ARG A 9 12.256 -8.080 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.159 -7.731 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.807 -6.433 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.700 -7.770 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.967 -9.136 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.335 -6.421 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.059 -7.851 2.137 1.00 0.00 H new ATOM 0 HE ARG A 9 16.660 -8.941 -0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.204 -5.454 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.909 -5.292 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.547 -8.696 -2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.101 -7.110 -2.785 1.00 0.00 H new ATOM 163 N ILE A 10 10.887 -6.244 0.951 1.00 0.00 N ATOM 164 CA ILE A 10 9.901 -5.292 0.382 1.00 0.00 C ATOM 165 C ILE A 10 10.240 -3.875 0.879 1.00 0.00 C ATOM 166 O ILE A 10 10.714 -3.726 2.008 1.00 0.00 O ATOM 167 CB ILE A 10 8.383 -5.640 0.748 1.00 0.00 C ATOM 168 CG1 ILE A 10 7.970 -5.211 2.213 1.00 0.00 C ATOM 169 CG2 ILE A 10 8.038 -7.134 0.492 1.00 0.00 C ATOM 170 CD1 ILE A 10 8.799 -5.776 3.346 1.00 0.00 C ATOM 0 H ILE A 10 11.137 -6.037 1.918 1.00 0.00 H new ATOM 0 HA ILE A 10 9.976 -5.363 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 10 7.786 -5.035 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.009 -4.123 2.273 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.932 -5.502 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.997 -7.317 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.191 -7.367 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.684 -7.766 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.415 -5.407 4.297 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.743 -6.864 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.837 -5.464 3.228 1.00 0.00 H new ATOM 182 N THR A 11 10.027 -2.841 0.057 1.00 0.00 N ATOM 183 CA THR A 11 10.220 -1.449 0.491 1.00 0.00 C ATOM 184 C THR A 11 8.877 -0.845 0.930 1.00 0.00 C ATOM 185 O THR A 11 7.906 -0.844 0.159 1.00 0.00 O ATOM 186 CB THR A 11 10.864 -0.583 -0.628 1.00 0.00 C ATOM 187 OG1 THR A 11 11.979 -1.295 -1.174 1.00 0.00 O ATOM 188 CG2 THR A 11 11.356 0.774 -0.088 1.00 0.00 C ATOM 0 H THR A 11 9.721 -2.940 -0.911 1.00 0.00 H new ATOM 0 HA THR A 11 10.906 -1.453 1.338 1.00 0.00 H new ATOM 0 HB THR A 11 10.108 -0.391 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.394 -0.760 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.800 1.350 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.514 1.326 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.103 0.608 0.688 1.00 0.00 H new ATOM 196 N ILE A 12 8.837 -0.370 2.182 1.00 0.00 N ATOM 197 CA ILE A 12 7.655 0.273 2.769 1.00 0.00 C ATOM 198 C ILE A 12 7.503 1.701 2.210 1.00 0.00 C ATOM 199 O ILE A 12 8.240 2.610 2.598 1.00 0.00 O ATOM 200 CB ILE A 12 7.753 0.333 4.338 1.00 0.00 C ATOM 201 CG1 ILE A 12 8.068 -1.075 4.945 1.00 0.00 C ATOM 202 CG2 ILE A 12 6.471 0.957 4.955 1.00 0.00 C ATOM 203 CD1 ILE A 12 7.035 -2.158 4.688 1.00 0.00 C ATOM 0 H ILE A 12 9.631 -0.422 2.821 1.00 0.00 H new ATOM 0 HA ILE A 12 6.783 -0.324 2.503 1.00 0.00 H new ATOM 0 HB ILE A 12 8.588 0.985 4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.026 -1.413 4.549 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.189 -0.965 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.567 0.986 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.340 1.970 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.605 0.353 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.359 -3.088 5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.077 -1.855 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.926 -2.310 3.614 1.00 0.00 H new ATOM 215 N GLN A 13 6.567 1.876 1.277 1.00 0.00 N ATOM 216 CA GLN A 13 6.242 3.183 0.704 1.00 0.00 C ATOM 217 C GLN A 13 5.218 3.902 1.592 1.00 0.00 C ATOM 218 O GLN A 13 4.013 3.676 1.496 1.00 0.00 O ATOM 219 CB GLN A 13 5.735 3.036 -0.748 1.00 0.00 C ATOM 220 CG GLN A 13 6.824 2.555 -1.720 1.00 0.00 C ATOM 221 CD GLN A 13 6.372 2.509 -3.171 1.00 0.00 C ATOM 222 OE1 GLN A 13 5.468 3.236 -3.583 1.00 0.00 O ATOM 223 NE2 GLN A 13 7.056 1.719 -3.966 1.00 0.00 N ATOM 0 H GLN A 13 6.010 1.111 0.895 1.00 0.00 H new ATOM 0 HA GLN A 13 7.146 3.790 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.903 2.332 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.348 3.996 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.688 3.215 -1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.153 1.560 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.798 1.131 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.845 1.693 -4.964 1.00 0.00 H new ATOM 232 N THR A 14 5.747 4.754 2.466 1.00 0.00 N ATOM 233 CA THR A 14 4.950 5.572 3.388 1.00 0.00 C ATOM 234 C THR A 14 4.376 6.790 2.637 1.00 0.00 C ATOM 235 O THR A 14 4.977 7.264 1.672 1.00 0.00 O ATOM 236 CB THR A 14 5.809 6.002 4.623 1.00 0.00 C ATOM 237 OG1 THR A 14 7.111 6.435 4.198 1.00 0.00 O ATOM 238 CG2 THR A 14 5.970 4.845 5.632 1.00 0.00 C ATOM 0 H THR A 14 6.752 4.901 2.558 1.00 0.00 H new ATOM 0 HA THR A 14 4.115 4.983 3.766 1.00 0.00 H new ATOM 0 HB THR A 14 5.285 6.823 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.638 6.703 4.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.572 5.180 6.477 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.988 4.533 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.464 4.004 5.145 1.00 0.00 H new ATOM 246 N LEU A 15 3.205 7.278 3.069 1.00 0.00 N ATOM 247 CA LEU A 15 2.432 8.294 2.333 1.00 0.00 C ATOM 248 C LEU A 15 2.863 9.716 2.732 1.00 0.00 C ATOM 249 O LEU A 15 2.558 10.178 3.837 1.00 0.00 O ATOM 250 CB LEU A 15 0.918 8.082 2.608 1.00 0.00 C ATOM 251 CG LEU A 15 -0.071 9.051 1.885 1.00 0.00 C ATOM 252 CD1 LEU A 15 0.101 9.006 0.351 1.00 0.00 C ATOM 253 CD2 LEU A 15 -1.529 8.754 2.293 1.00 0.00 C ATOM 0 H LEU A 15 2.765 6.980 3.940 1.00 0.00 H new ATOM 0 HA LEU A 15 2.626 8.182 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.661 7.061 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.753 8.167 3.682 1.00 0.00 H new ATOM 0 HG LEU A 15 0.170 10.065 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.605 9.694 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.118 9.298 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.089 7.994 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.199 9.442 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.781 7.729 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.639 8.881 3.370 1.00 0.00 H new ATOM 265 N LYS A 16 3.618 10.382 1.847 1.00 0.00 N ATOM 266 CA LYS A 16 4.026 11.784 2.005 1.00 0.00 C ATOM 267 C LYS A 16 2.970 12.711 1.367 1.00 0.00 C ATOM 268 O LYS A 16 2.952 12.920 0.152 1.00 0.00 O ATOM 269 CB LYS A 16 5.422 11.983 1.355 1.00 0.00 C ATOM 270 CG LYS A 16 6.056 13.373 1.566 1.00 0.00 C ATOM 271 CD LYS A 16 7.520 13.429 1.078 1.00 0.00 C ATOM 272 CE LYS A 16 8.148 14.821 1.240 1.00 0.00 C ATOM 273 NZ LYS A 16 7.482 15.851 0.401 1.00 0.00 N ATOM 0 H LYS A 16 3.967 9.955 0.989 1.00 0.00 H new ATOM 0 HA LYS A 16 4.097 12.038 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.101 11.228 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.335 11.800 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.469 14.122 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.018 13.630 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.112 12.702 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.560 13.137 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.094 15.120 2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.205 14.771 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.827 16.794 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.699 15.676 -0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.453 15.804 0.546 1.00 0.00 H new ATOM 287 N GLN A 17 2.062 13.225 2.202 1.00 0.00 N ATOM 288 CA GLN A 17 0.986 14.134 1.776 1.00 0.00 C ATOM 289 C GLN A 17 1.540 15.568 1.741 1.00 0.00 C ATOM 290 O GLN A 17 1.628 16.237 2.775 1.00 0.00 O ATOM 291 CB GLN A 17 -0.212 14.007 2.752 1.00 0.00 C ATOM 292 CG GLN A 17 -0.746 12.573 2.890 1.00 0.00 C ATOM 293 CD GLN A 17 -1.871 12.448 3.911 1.00 0.00 C ATOM 294 OE1 GLN A 17 -1.625 12.207 5.087 1.00 0.00 O ATOM 295 NE2 GLN A 17 -3.103 12.640 3.476 1.00 0.00 N ATOM 0 H GLN A 17 2.050 13.022 3.202 1.00 0.00 H new ATOM 0 HA GLN A 17 0.631 13.875 0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.091 14.369 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.019 14.655 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.105 12.231 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.073 11.913 3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.270 12.839 2.490 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.887 12.590 4.126 1.00 0.00 H new ATOM 304 N THR A 18 1.937 16.023 0.544 1.00 0.00 N ATOM 305 CA THR A 18 2.666 17.280 0.355 1.00 0.00 C ATOM 306 C THR A 18 1.724 18.327 -0.249 1.00 0.00 C ATOM 307 O THR A 18 1.227 18.127 -1.353 1.00 0.00 O ATOM 308 CB THR A 18 3.894 17.044 -0.592 1.00 0.00 C ATOM 309 OG1 THR A 18 4.713 15.992 -0.051 1.00 0.00 O ATOM 310 CG2 THR A 18 4.741 18.323 -0.784 1.00 0.00 C ATOM 0 H THR A 18 1.758 15.522 -0.327 1.00 0.00 H new ATOM 0 HA THR A 18 3.031 17.640 1.317 1.00 0.00 H new ATOM 0 HB THR A 18 3.511 16.761 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.159 15.516 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.579 18.108 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.123 19.106 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.119 18.657 0.182 1.00 0.00 H new ATOM 318 N ARG A 19 1.475 19.428 0.476 1.00 0.00 N ATOM 319 CA ARG A 19 0.598 20.504 -0.008 1.00 0.00 C ATOM 320 C ARG A 19 1.290 21.299 -1.141 1.00 0.00 C ATOM 321 O ARG A 19 2.509 21.220 -1.310 1.00 0.00 O ATOM 322 CB ARG A 19 0.175 21.429 1.167 1.00 0.00 C ATOM 323 CG ARG A 19 -0.975 22.409 0.823 1.00 0.00 C ATOM 324 CD ARG A 19 -1.432 23.248 2.018 1.00 0.00 C ATOM 325 NE ARG A 19 -0.361 24.117 2.534 1.00 0.00 N ATOM 326 CZ ARG A 19 -0.218 24.498 3.814 1.00 0.00 C ATOM 327 NH1 ARG A 19 -1.071 24.082 4.745 1.00 0.00 N ATOM 328 NH2 ARG A 19 0.786 25.285 4.151 1.00 0.00 N ATOM 0 H ARG A 19 1.870 19.596 1.401 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.308 20.061 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.131 20.810 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.042 22.004 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.649 23.075 0.024 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.824 21.842 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.284 23.861 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.775 22.586 2.814 1.00 0.00 H new ATOM 0 HE ARG A 19 0.329 24.458 1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.844 23.467 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.953 24.378 5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.447 25.600 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.901 25.578 5.121 1.00 0.00 H new ATOM 342 N ASP A 20 0.500 22.052 -1.909 1.00 0.00 N ATOM 343 CA ASP A 20 0.978 22.825 -3.062 1.00 0.00 C ATOM 344 C ASP A 20 0.799 24.318 -2.781 1.00 0.00 C ATOM 345 O ASP A 20 0.061 24.692 -1.854 1.00 0.00 O ATOM 346 CB ASP A 20 0.182 22.401 -4.315 1.00 0.00 C ATOM 347 CG ASP A 20 0.766 22.958 -5.615 1.00 0.00 C ATOM 348 OD1 ASP A 20 1.801 22.433 -6.071 1.00 0.00 O ATOM 349 OD2 ASP A 20 0.224 23.940 -6.159 1.00 0.00 O ATOM 0 H ASP A 20 -0.503 22.145 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 20 2.037 22.632 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.158 21.313 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.850 22.738 -4.214 1.00 0.00 H new ATOM 354 N ILE A 21 1.486 25.165 -3.570 1.00 0.00 N ATOM 355 CA ILE A 21 1.351 26.634 -3.517 1.00 0.00 C ATOM 356 C ILE A 21 -0.104 27.119 -3.758 1.00 0.00 C ATOM 357 O ILE A 21 -0.470 28.203 -3.294 1.00 0.00 O ATOM 358 CB ILE A 21 2.355 27.308 -4.541 1.00 0.00 C ATOM 359 CG1 ILE A 21 2.336 28.870 -4.433 1.00 0.00 C ATOM 360 CG2 ILE A 21 2.084 26.836 -5.992 1.00 0.00 C ATOM 361 CD1 ILE A 21 3.318 29.593 -5.337 1.00 0.00 C ATOM 0 H ILE A 21 2.157 24.846 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 21 1.608 26.945 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 21 3.359 26.981 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.330 29.222 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.544 29.149 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.790 27.317 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.204 25.754 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.067 27.104 -6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.226 30.669 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.333 29.278 -5.097 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.100 29.352 -6.377 1.00 0.00 H new ATOM 373 N THR A 22 -0.960 26.290 -4.401 1.00 0.00 N ATOM 374 CA THR A 22 -2.368 26.661 -4.682 1.00 0.00 C ATOM 375 C THR A 22 -3.270 26.127 -3.540 1.00 0.00 C ATOM 376 O THR A 22 -4.448 26.489 -3.424 1.00 0.00 O ATOM 377 CB THR A 22 -2.840 26.048 -6.043 1.00 0.00 C ATOM 378 OG1 THR A 22 -2.690 24.613 -6.023 1.00 0.00 O ATOM 379 CG2 THR A 22 -2.054 26.617 -7.232 1.00 0.00 C ATOM 0 H THR A 22 -0.701 25.361 -4.734 1.00 0.00 H new ATOM 0 HA THR A 22 -2.441 27.747 -4.745 1.00 0.00 H new ATOM 0 HB THR A 22 -3.890 26.314 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.742 24.382 -6.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.414 26.164 -8.156 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.195 27.697 -7.278 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.994 26.394 -7.108 1.00 0.00 H new ATOM 387 N GLY A 23 -2.671 25.235 -2.729 1.00 0.00 N ATOM 388 CA GLY A 23 -3.325 24.624 -1.573 1.00 0.00 C ATOM 389 C GLY A 23 -3.960 23.291 -1.914 1.00 0.00 C ATOM 390 O GLY A 23 -5.067 22.985 -1.461 1.00 0.00 O ATOM 0 H GLY A 23 -1.710 24.920 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.594 24.483 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.088 25.301 -1.190 1.00 0.00 H new ATOM 394 N GLU A 24 -3.261 22.495 -2.728 1.00 0.00 N ATOM 395 CA GLU A 24 -3.684 21.143 -3.122 1.00 0.00 C ATOM 396 C GLU A 24 -2.845 20.104 -2.374 1.00 0.00 C ATOM 397 O GLU A 24 -1.634 20.274 -2.250 1.00 0.00 O ATOM 398 CB GLU A 24 -3.503 20.981 -4.655 1.00 0.00 C ATOM 399 CG GLU A 24 -4.590 21.662 -5.498 1.00 0.00 C ATOM 400 CD GLU A 24 -5.965 20.986 -5.345 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.208 19.957 -6.011 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.810 21.471 -4.552 1.00 0.00 O ATOM 0 H GLU A 24 -2.371 22.774 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.733 20.993 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.532 21.388 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.486 19.918 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.669 22.709 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.295 21.645 -6.547 1.00 0.00 H new ATOM 409 N ILE A 25 -3.479 19.031 -1.883 1.00 0.00 N ATOM 410 CA ILE A 25 -2.783 17.963 -1.141 1.00 0.00 C ATOM 411 C ILE A 25 -2.320 16.872 -2.129 1.00 0.00 C ATOM 412 O ILE A 25 -3.108 15.999 -2.519 1.00 0.00 O ATOM 413 CB ILE A 25 -3.712 17.355 -0.024 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.283 18.485 0.898 1.00 0.00 C ATOM 415 CG2 ILE A 25 -2.981 16.268 0.811 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.241 19.327 1.622 1.00 0.00 C ATOM 0 H ILE A 25 -4.482 18.876 -1.986 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.910 18.386 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.547 16.865 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.902 19.146 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.937 18.028 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.658 15.876 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.663 15.458 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.109 16.707 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.741 20.079 2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.635 18.685 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.600 19.820 0.891 1.00 0.00 H new ATOM 428 N LEU A 26 -1.051 16.953 -2.557 1.00 0.00 N ATOM 429 CA LEU A 26 -0.442 15.990 -3.488 1.00 0.00 C ATOM 430 C LEU A 26 0.052 14.791 -2.676 1.00 0.00 C ATOM 431 O LEU A 26 1.142 14.832 -2.083 1.00 0.00 O ATOM 432 CB LEU A 26 0.733 16.631 -4.306 1.00 0.00 C ATOM 433 CG LEU A 26 0.347 17.584 -5.492 1.00 0.00 C ATOM 434 CD1 LEU A 26 -0.502 18.784 -5.031 1.00 0.00 C ATOM 435 CD2 LEU A 26 1.612 18.066 -6.247 1.00 0.00 C ATOM 0 H LEU A 26 -0.414 17.694 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.188 15.673 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.360 17.192 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.345 15.823 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.269 17.002 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.742 19.411 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.425 18.424 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.059 19.367 -4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.319 18.725 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.262 18.607 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.146 17.205 -6.649 1.00 0.00 H new ATOM 447 N GLU A 27 -0.780 13.746 -2.618 1.00 0.00 N ATOM 448 CA GLU A 27 -0.470 12.531 -1.877 1.00 0.00 C ATOM 449 C GLU A 27 0.470 11.659 -2.713 1.00 0.00 C ATOM 450 O GLU A 27 0.084 11.114 -3.751 1.00 0.00 O ATOM 451 CB GLU A 27 -1.769 11.781 -1.501 1.00 0.00 C ATOM 452 CG GLU A 27 -2.632 12.521 -0.470 1.00 0.00 C ATOM 453 CD GLU A 27 -3.863 11.719 -0.029 1.00 0.00 C ATOM 454 OE1 GLU A 27 -4.879 11.720 -0.753 1.00 0.00 O ATOM 455 OE2 GLU A 27 -3.824 11.092 1.047 1.00 0.00 O ATOM 0 H GLU A 27 -1.686 13.724 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 27 0.034 12.784 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.358 11.617 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.510 10.799 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.024 12.752 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.957 13.472 -0.893 1.00 0.00 H new ATOM 462 N THR A 28 1.700 11.552 -2.223 1.00 0.00 N ATOM 463 CA THR A 28 2.814 10.892 -2.908 1.00 0.00 C ATOM 464 C THR A 28 3.383 9.840 -1.967 1.00 0.00 C ATOM 465 O THR A 28 3.041 9.806 -0.782 1.00 0.00 O ATOM 466 CB THR A 28 3.931 11.912 -3.324 1.00 0.00 C ATOM 467 OG1 THR A 28 4.413 12.622 -2.176 1.00 0.00 O ATOM 468 CG2 THR A 28 3.424 12.920 -4.362 1.00 0.00 C ATOM 0 H THR A 28 1.961 11.932 -1.313 1.00 0.00 H new ATOM 0 HA THR A 28 2.450 10.433 -3.827 1.00 0.00 H new ATOM 0 HB THR A 28 4.741 11.335 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.753 12.562 -1.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.228 13.608 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.096 12.389 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.587 13.481 -3.946 1.00 0.00 H new ATOM 476 N TRP A 29 4.254 8.983 -2.479 1.00 0.00 N ATOM 477 CA TRP A 29 4.762 7.834 -1.722 1.00 0.00 C ATOM 478 C TRP A 29 6.284 7.941 -1.594 1.00 0.00 C ATOM 479 O TRP A 29 7.018 7.826 -2.584 1.00 0.00 O ATOM 480 CB TRP A 29 4.322 6.514 -2.405 1.00 0.00 C ATOM 481 CG TRP A 29 2.816 6.414 -2.550 1.00 0.00 C ATOM 482 CD1 TRP A 29 2.070 6.750 -3.646 1.00 0.00 C ATOM 483 CD2 TRP A 29 1.877 5.991 -1.552 1.00 0.00 C ATOM 484 NE1 TRP A 29 0.741 6.545 -3.396 1.00 0.00 N ATOM 485 CE2 TRP A 29 0.592 6.089 -2.118 1.00 0.00 C ATOM 486 CE3 TRP A 29 1.996 5.540 -0.239 1.00 0.00 C ATOM 487 CZ2 TRP A 29 -0.565 5.738 -1.422 1.00 0.00 C ATOM 488 CZ3 TRP A 29 0.849 5.196 0.452 1.00 0.00 C ATOM 489 CH2 TRP A 29 -0.418 5.301 -0.135 1.00 0.00 C ATOM 0 H TRP A 29 4.630 9.058 -3.424 1.00 0.00 H new ATOM 0 HA TRP A 29 4.343 7.832 -0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.785 6.445 -3.390 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.685 5.668 -1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.473 7.124 -4.576 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.017 6.707 -4.059 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.966 5.461 0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.539 5.809 -1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.932 4.838 1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.293 5.032 0.438 1.00 0.00 H new ATOM 500 N GLU A 30 6.731 8.223 -0.364 1.00 0.00 N ATOM 501 CA GLU A 30 8.148 8.250 -0.013 1.00 0.00 C ATOM 502 C GLU A 30 8.574 6.812 0.307 1.00 0.00 C ATOM 503 O GLU A 30 8.044 6.183 1.239 1.00 0.00 O ATOM 504 CB GLU A 30 8.440 9.225 1.174 1.00 0.00 C ATOM 505 CG GLU A 30 7.562 9.030 2.421 1.00 0.00 C ATOM 506 CD GLU A 30 8.022 9.857 3.630 1.00 0.00 C ATOM 507 OE1 GLU A 30 8.929 9.398 4.358 1.00 0.00 O ATOM 508 OE2 GLU A 30 7.490 10.963 3.858 1.00 0.00 O ATOM 0 H GLU A 30 6.112 8.440 0.417 1.00 0.00 H new ATOM 0 HA GLU A 30 8.731 8.633 -0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.484 9.113 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.316 10.248 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.534 9.298 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.560 7.974 2.693 1.00 0.00 H new ATOM 515 N ASP A 31 9.476 6.276 -0.529 1.00 0.00 N ATOM 516 CA ASP A 31 10.011 4.916 -0.366 1.00 0.00 C ATOM 517 C ASP A 31 10.832 4.848 0.931 1.00 0.00 C ATOM 518 O ASP A 31 11.626 5.754 1.216 1.00 0.00 O ATOM 519 CB ASP A 31 10.861 4.497 -1.598 1.00 0.00 C ATOM 520 CG ASP A 31 12.145 5.326 -1.794 1.00 0.00 C ATOM 521 OD1 ASP A 31 12.043 6.498 -2.212 1.00 0.00 O ATOM 522 OD2 ASP A 31 13.259 4.810 -1.536 1.00 0.00 O ATOM 0 H ASP A 31 9.854 6.772 -1.336 1.00 0.00 H new ATOM 0 HA ASP A 31 9.183 4.211 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.133 3.446 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.247 4.582 -2.494 1.00 0.00 H new ATOM 527 N GLY A 32 10.644 3.780 1.713 1.00 0.00 N ATOM 528 CA GLY A 32 11.179 3.712 3.071 1.00 0.00 C ATOM 529 C GLY A 32 12.195 2.613 3.244 1.00 0.00 C ATOM 530 O GLY A 32 13.209 2.595 2.552 1.00 0.00 O ATOM 0 H GLY A 32 10.124 2.951 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.638 4.668 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.359 3.556 3.772 1.00 0.00 H new ATOM 534 N HIS A 33 11.905 1.675 4.149 1.00 0.00 N ATOM 535 CA HIS A 33 12.865 0.655 4.585 1.00 0.00 C ATOM 536 C HIS A 33 12.580 -0.651 3.849 1.00 0.00 C ATOM 537 O HIS A 33 11.439 -1.136 3.883 1.00 0.00 O ATOM 538 CB HIS A 33 12.744 0.439 6.117 1.00 0.00 C ATOM 539 CG HIS A 33 12.790 1.715 6.923 1.00 0.00 C ATOM 540 ND1 HIS A 33 11.798 2.081 7.809 1.00 0.00 N ATOM 541 CD2 HIS A 33 13.706 2.711 6.963 1.00 0.00 C ATOM 542 CE1 HIS A 33 12.097 3.244 8.350 1.00 0.00 C ATOM 543 NE2 HIS A 33 13.250 3.654 7.860 1.00 0.00 N ATOM 0 H HIS A 33 10.994 1.600 4.602 1.00 0.00 H new ATOM 0 HA HIS A 33 13.878 0.985 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.808 -0.078 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.551 -0.216 6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.624 2.758 6.397 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.497 3.774 9.075 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.725 4.523 8.103 1.00 0.00 H new ATOM 552 N THR A 34 13.591 -1.213 3.172 1.00 0.00 N ATOM 553 CA THR A 34 13.444 -2.496 2.485 1.00 0.00 C ATOM 554 C THR A 34 13.770 -3.625 3.479 1.00 0.00 C ATOM 555 O THR A 34 14.942 -3.978 3.663 1.00 0.00 O ATOM 556 CB THR A 34 14.374 -2.563 1.229 1.00 0.00 C ATOM 557 OG1 THR A 34 14.338 -1.300 0.548 1.00 0.00 O ATOM 558 CG2 THR A 34 13.941 -3.678 0.252 1.00 0.00 C ATOM 0 H THR A 34 14.518 -0.796 3.088 1.00 0.00 H new ATOM 0 HA THR A 34 12.419 -2.610 2.132 1.00 0.00 H new ATOM 0 HB THR A 34 15.384 -2.788 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.555 -1.268 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.613 -3.691 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.982 -4.642 0.759 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.922 -3.489 -0.087 1.00 0.00 H new ATOM 566 N LEU A 35 12.735 -4.164 4.153 1.00 0.00 N ATOM 567 CA LEU A 35 12.915 -5.105 5.280 1.00 0.00 C ATOM 568 C LEU A 35 12.465 -6.531 4.938 1.00 0.00 C ATOM 569 O LEU A 35 11.859 -6.779 3.897 1.00 0.00 O ATOM 570 CB LEU A 35 12.185 -4.553 6.549 1.00 0.00 C ATOM 571 CG LEU A 35 10.653 -4.223 6.424 1.00 0.00 C ATOM 572 CD1 LEU A 35 9.769 -5.384 6.935 1.00 0.00 C ATOM 573 CD2 LEU A 35 10.296 -2.900 7.141 1.00 0.00 C ATOM 0 H LEU A 35 11.759 -3.963 3.936 1.00 0.00 H new ATOM 0 HA LEU A 35 13.982 -5.177 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.307 -5.282 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.699 -3.645 6.864 1.00 0.00 H new ATOM 0 HG LEU A 35 10.444 -4.095 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.718 -5.114 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.973 -6.281 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.992 -5.576 7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.229 -2.704 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.545 -2.981 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.862 -2.081 6.696 1.00 0.00 H new ATOM 585 N TRP A 36 12.799 -7.446 5.858 1.00 0.00 N ATOM 586 CA TRP A 36 12.555 -8.890 5.730 1.00 0.00 C ATOM 587 C TRP A 36 11.042 -9.227 5.687 1.00 0.00 C ATOM 588 O TRP A 36 10.295 -8.933 6.635 1.00 0.00 O ATOM 589 CB TRP A 36 13.249 -9.636 6.899 1.00 0.00 C ATOM 590 CG TRP A 36 14.701 -9.252 7.095 1.00 0.00 C ATOM 591 CD1 TRP A 36 15.254 -8.655 8.195 1.00 0.00 C ATOM 592 CD2 TRP A 36 15.776 -9.411 6.152 1.00 0.00 C ATOM 593 NE1 TRP A 36 16.595 -8.448 8.000 1.00 0.00 N ATOM 594 CE2 TRP A 36 16.942 -8.900 6.754 1.00 0.00 C ATOM 595 CE3 TRP A 36 15.869 -9.941 4.857 1.00 0.00 C ATOM 596 CZ2 TRP A 36 18.175 -8.897 6.116 1.00 0.00 C ATOM 597 CZ3 TRP A 36 17.096 -9.937 4.225 1.00 0.00 C ATOM 598 CH2 TRP A 36 18.235 -9.418 4.852 1.00 0.00 C ATOM 0 H TRP A 36 13.258 -7.197 6.734 1.00 0.00 H new ATOM 0 HA TRP A 36 12.978 -9.221 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 36 12.703 -9.435 7.821 1.00 0.00 H new ATOM 0 HB3 TRP A 36 13.188 -10.709 6.719 1.00 0.00 H new ATOM 0 HD1 TRP A 36 14.712 -8.385 9.089 1.00 0.00 H new ATOM 0 HE1 TRP A 36 17.233 -8.025 8.675 1.00 0.00 H new ATOM 0 HE3 TRP A 36 14.997 -10.345 4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 19.055 -8.498 6.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 17.179 -10.342 3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 36 19.179 -9.429 4.328 1.00 0.00 H new ATOM 609 N ALA A 37 10.625 -9.865 4.576 1.00 0.00 N ATOM 610 CA ALA A 37 9.240 -10.324 4.355 1.00 0.00 C ATOM 611 C ALA A 37 9.192 -11.674 3.640 1.00 0.00 C ATOM 612 O ALA A 37 10.215 -12.245 3.342 1.00 0.00 O ATOM 613 CB ALA A 37 8.462 -9.295 3.541 1.00 0.00 C ATOM 0 H ALA A 37 11.248 -10.079 3.797 1.00 0.00 H new ATOM 0 HA ALA A 37 8.782 -10.442 5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.443 -9.649 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.440 -8.347 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.947 -9.153 2.575 1.00 0.00 H new ATOM 619 N SER A 38 7.982 -12.220 3.452 1.00 0.00 N ATOM 620 CA SER A 38 7.706 -13.296 2.494 1.00 0.00 C ATOM 621 C SER A 38 6.411 -12.933 1.746 1.00 0.00 C ATOM 622 O SER A 38 5.322 -12.962 2.333 1.00 0.00 O ATOM 623 CB SER A 38 7.571 -14.653 3.218 1.00 0.00 C ATOM 624 OG SER A 38 8.744 -14.967 3.953 1.00 0.00 O ATOM 0 H SER A 38 7.156 -11.921 3.970 1.00 0.00 H new ATOM 0 HA SER A 38 8.530 -13.397 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.715 -14.624 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.376 -15.439 2.488 1.00 0.00 H new ATOM 0 HG SER A 38 8.628 -15.831 4.401 1.00 0.00 H new ATOM 630 N VAL A 39 6.543 -12.564 0.462 1.00 0.00 N ATOM 631 CA VAL A 39 5.437 -12.021 -0.361 1.00 0.00 C ATOM 632 C VAL A 39 4.979 -13.053 -1.416 1.00 0.00 C ATOM 633 O VAL A 39 5.697 -13.334 -2.376 1.00 0.00 O ATOM 634 CB VAL A 39 5.858 -10.653 -1.043 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.277 -10.729 -1.670 1.00 0.00 C ATOM 636 CG2 VAL A 39 4.814 -10.189 -2.096 1.00 0.00 C ATOM 0 H VAL A 39 7.426 -12.633 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 39 4.592 -11.819 0.297 1.00 0.00 H new ATOM 0 HB VAL A 39 5.887 -9.906 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.525 -9.771 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.006 -10.961 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.297 -11.509 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.139 -9.248 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.722 -10.946 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.848 -10.047 -1.612 1.00 0.00 H new ATOM 646 N ASN A 40 3.773 -13.618 -1.229 1.00 0.00 N ATOM 647 CA ASN A 40 3.178 -14.610 -2.151 1.00 0.00 C ATOM 648 C ASN A 40 1.741 -14.192 -2.475 1.00 0.00 C ATOM 649 O ASN A 40 1.001 -13.758 -1.581 1.00 0.00 O ATOM 650 CB ASN A 40 3.174 -16.026 -1.513 1.00 0.00 C ATOM 651 CG ASN A 40 4.576 -16.540 -1.190 1.00 0.00 C ATOM 652 OD1 ASN A 40 5.207 -17.205 -2.011 1.00 0.00 O ATOM 653 ND2 ASN A 40 5.086 -16.208 -0.006 1.00 0.00 N ATOM 0 H ASN A 40 3.178 -13.400 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 40 3.775 -14.645 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.581 -16.005 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.685 -16.723 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.029 -16.506 0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.534 -15.655 0.650 1.00 0.00 H new ATOM 660 N MET A 41 1.338 -14.329 -3.746 1.00 0.00 N ATOM 661 CA MET A 41 -0.032 -14.002 -4.180 1.00 0.00 C ATOM 662 C MET A 41 -1.002 -15.100 -3.729 1.00 0.00 C ATOM 663 O MET A 41 -0.635 -16.280 -3.703 1.00 0.00 O ATOM 664 CB MET A 41 -0.110 -13.828 -5.715 1.00 0.00 C ATOM 665 CG MET A 41 0.753 -12.684 -6.259 1.00 0.00 C ATOM 666 SD MET A 41 0.478 -12.341 -8.014 1.00 0.00 S ATOM 667 CE MET A 41 -1.249 -11.863 -8.029 1.00 0.00 C ATOM 0 H MET A 41 1.942 -14.665 -4.496 1.00 0.00 H new ATOM 0 HA MET A 41 -0.314 -13.056 -3.718 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.197 -14.759 -6.192 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.148 -13.652 -5.998 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.548 -11.781 -5.684 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.804 -12.928 -6.105 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.380 -10.994 -8.674 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.852 -12.689 -8.406 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.567 -11.615 -7.016 1.00 0.00 H new ATOM 677 N VAL A 42 -2.234 -14.696 -3.384 1.00 0.00 N ATOM 678 CA VAL A 42 -3.274 -15.613 -2.906 1.00 0.00 C ATOM 679 C VAL A 42 -3.792 -16.472 -4.083 1.00 0.00 C ATOM 680 O VAL A 42 -4.080 -15.955 -5.172 1.00 0.00 O ATOM 681 CB VAL A 42 -4.463 -14.850 -2.176 1.00 0.00 C ATOM 682 CG1 VAL A 42 -3.931 -13.876 -1.091 1.00 0.00 C ATOM 683 CG2 VAL A 42 -5.428 -14.138 -3.162 1.00 0.00 C ATOM 0 H VAL A 42 -2.535 -13.723 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.829 -16.268 -2.157 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.056 -15.616 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.770 -13.371 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.370 -14.436 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.279 -13.136 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.217 -13.637 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.874 -13.403 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.872 -14.874 -3.832 1.00 0.00 H new ATOM 693 N SER A 43 -3.851 -17.788 -3.866 1.00 0.00 N ATOM 694 CA SER A 43 -4.287 -18.757 -4.882 1.00 0.00 C ATOM 695 C SER A 43 -5.820 -18.942 -4.838 1.00 0.00 C ATOM 696 O SER A 43 -6.522 -18.248 -4.077 1.00 0.00 O ATOM 697 CB SER A 43 -3.541 -20.090 -4.627 1.00 0.00 C ATOM 698 OG SER A 43 -2.132 -19.892 -4.634 1.00 0.00 O ATOM 0 H SER A 43 -3.597 -18.217 -2.976 1.00 0.00 H new ATOM 0 HA SER A 43 -4.045 -18.394 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.849 -20.506 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.814 -20.817 -5.392 1.00 0.00 H new ATOM 0 HG SER A 43 -1.681 -20.746 -4.469 1.00 0.00 H new ATOM 704 N SER A 44 -6.326 -19.871 -5.668 1.00 0.00 N ATOM 705 CA SER A 44 -7.762 -20.202 -5.752 1.00 0.00 C ATOM 706 C SER A 44 -8.305 -20.702 -4.403 1.00 0.00 C ATOM 707 O SER A 44 -9.451 -20.434 -4.062 1.00 0.00 O ATOM 708 CB SER A 44 -7.995 -21.253 -6.863 1.00 0.00 C ATOM 709 OG SER A 44 -7.178 -22.396 -6.672 1.00 0.00 O ATOM 0 H SER A 44 -5.747 -20.418 -6.305 1.00 0.00 H new ATOM 0 HA SER A 44 -8.308 -19.293 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.044 -21.550 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.782 -20.810 -7.836 1.00 0.00 H new ATOM 0 HG SER A 44 -7.348 -23.043 -7.388 1.00 0.00 H new ATOM 715 N LYS A 45 -7.445 -21.418 -3.643 1.00 0.00 N ATOM 716 CA LYS A 45 -7.755 -21.896 -2.275 1.00 0.00 C ATOM 717 C LYS A 45 -8.230 -20.745 -1.383 1.00 0.00 C ATOM 718 O LYS A 45 -9.247 -20.859 -0.708 1.00 0.00 O ATOM 719 CB LYS A 45 -6.501 -22.567 -1.644 1.00 0.00 C ATOM 720 CG LYS A 45 -6.651 -23.021 -0.161 1.00 0.00 C ATOM 721 CD LYS A 45 -7.762 -24.086 0.056 1.00 0.00 C ATOM 722 CE LYS A 45 -7.484 -25.407 -0.683 1.00 0.00 C ATOM 723 NZ LYS A 45 -8.558 -26.408 -0.463 1.00 0.00 N ATOM 0 H LYS A 45 -6.513 -21.682 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.559 -22.629 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.236 -23.436 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.667 -21.868 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.700 -23.426 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.869 -22.150 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.861 -24.287 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.716 -23.681 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.386 -25.211 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.532 -25.817 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.329 -27.282 -0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.636 -26.616 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.462 -26.028 -0.809 1.00 0.00 H new ATOM 737 N GLU A 46 -7.482 -19.642 -1.428 1.00 0.00 N ATOM 738 CA GLU A 46 -7.709 -18.476 -0.569 1.00 0.00 C ATOM 739 C GLU A 46 -9.046 -17.796 -0.899 1.00 0.00 C ATOM 740 O GLU A 46 -9.816 -17.472 0.004 1.00 0.00 O ATOM 741 CB GLU A 46 -6.534 -17.494 -0.729 1.00 0.00 C ATOM 742 CG GLU A 46 -5.141 -18.139 -0.554 1.00 0.00 C ATOM 743 CD GLU A 46 -4.931 -18.779 0.825 1.00 0.00 C ATOM 744 OE1 GLU A 46 -4.571 -18.054 1.776 1.00 0.00 O ATOM 745 OE2 GLU A 46 -5.134 -20.002 0.972 1.00 0.00 O ATOM 0 H GLU A 46 -6.695 -19.530 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.763 -18.803 0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.589 -17.037 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.644 -16.691 -0.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.002 -18.899 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.375 -17.380 -0.714 1.00 0.00 H new ATOM 752 N ALA A 47 -9.304 -17.618 -2.201 1.00 0.00 N ATOM 753 CA ALA A 47 -10.551 -17.016 -2.704 1.00 0.00 C ATOM 754 C ALA A 47 -11.782 -17.860 -2.301 1.00 0.00 C ATOM 755 O ALA A 47 -12.730 -17.346 -1.709 1.00 0.00 O ATOM 756 CB ALA A 47 -10.472 -16.858 -4.223 1.00 0.00 C ATOM 0 H ALA A 47 -8.654 -17.887 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.669 -16.031 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.396 -16.412 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.631 -16.213 -4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.332 -17.836 -4.684 1.00 0.00 H new ATOM 762 N ILE A 48 -11.710 -19.164 -2.609 1.00 0.00 N ATOM 763 CA ILE A 48 -12.795 -20.139 -2.355 1.00 0.00 C ATOM 764 C ILE A 48 -13.083 -20.289 -0.841 1.00 0.00 C ATOM 765 O ILE A 48 -14.242 -20.391 -0.430 1.00 0.00 O ATOM 766 CB ILE A 48 -12.443 -21.535 -3.013 1.00 0.00 C ATOM 767 CG1 ILE A 48 -12.400 -21.401 -4.574 1.00 0.00 C ATOM 768 CG2 ILE A 48 -13.415 -22.666 -2.576 1.00 0.00 C ATOM 769 CD1 ILE A 48 -11.918 -22.644 -5.307 1.00 0.00 C ATOM 0 H ILE A 48 -10.889 -19.581 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.706 -19.760 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 48 -11.455 -21.823 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.399 -21.150 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -11.749 -20.567 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.126 -23.600 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.370 -22.787 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.432 -22.406 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.922 -22.458 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.906 -22.887 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.581 -23.479 -5.081 1.00 0.00 H new ATOM 781 N SER A 49 -12.018 -20.262 -0.024 1.00 0.00 N ATOM 782 CA SER A 49 -12.121 -20.446 1.438 1.00 0.00 C ATOM 783 C SER A 49 -12.638 -19.170 2.135 1.00 0.00 C ATOM 784 O SER A 49 -13.280 -19.248 3.190 1.00 0.00 O ATOM 785 CB SER A 49 -10.753 -20.868 2.018 1.00 0.00 C ATOM 786 OG SER A 49 -10.865 -21.244 3.378 1.00 0.00 O ATOM 0 H SER A 49 -11.064 -20.113 -0.353 1.00 0.00 H new ATOM 0 HA SER A 49 -12.845 -21.238 1.628 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.352 -21.701 1.440 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.046 -20.044 1.923 1.00 0.00 H new ATOM 0 HG SER A 49 -9.985 -21.508 3.718 1.00 0.00 H new ATOM 792 N SER A 50 -12.361 -18.003 1.536 1.00 0.00 N ATOM 793 CA SER A 50 -12.785 -16.689 2.073 1.00 0.00 C ATOM 794 C SER A 50 -14.116 -16.214 1.449 1.00 0.00 C ATOM 795 O SER A 50 -14.701 -15.223 1.908 1.00 0.00 O ATOM 796 CB SER A 50 -11.679 -15.652 1.816 1.00 0.00 C ATOM 797 OG SER A 50 -10.454 -16.035 2.416 1.00 0.00 O ATOM 0 H SER A 50 -11.836 -17.937 0.664 1.00 0.00 H new ATOM 0 HA SER A 50 -12.950 -16.798 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.536 -15.530 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.990 -14.684 2.208 1.00 0.00 H new ATOM 0 HG SER A 50 -9.945 -16.593 1.792 1.00 0.00 H new ATOM 803 N GLY A 51 -14.575 -16.924 0.397 1.00 0.00 N ATOM 804 CA GLY A 51 -15.800 -16.572 -0.326 1.00 0.00 C ATOM 805 C GLY A 51 -15.572 -15.439 -1.323 1.00 0.00 C ATOM 806 O GLY A 51 -15.521 -15.664 -2.538 1.00 0.00 O ATOM 0 H GLY A 51 -14.105 -17.752 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.174 -17.449 -0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.570 -16.277 0.387 1.00 0.00 H new ATOM 810 N ALA A 52 -15.439 -14.211 -0.795 1.00 0.00 N ATOM 811 CA ALA A 52 -15.128 -13.004 -1.590 1.00 0.00 C ATOM 812 C ALA A 52 -14.296 -11.996 -0.766 1.00 0.00 C ATOM 813 O ALA A 52 -13.990 -10.899 -1.257 1.00 0.00 O ATOM 814 CB ALA A 52 -16.427 -12.350 -2.109 1.00 0.00 C ATOM 0 H ALA A 52 -15.544 -14.023 0.202 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.529 -13.307 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.180 -11.463 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.965 -13.059 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.054 -12.066 -1.264 1.00 0.00 H new ATOM 820 N GLU A 53 -13.935 -12.375 0.482 1.00 0.00 N ATOM 821 CA GLU A 53 -13.133 -11.519 1.391 1.00 0.00 C ATOM 822 C GLU A 53 -11.745 -11.307 0.761 1.00 0.00 C ATOM 823 O GLU A 53 -11.346 -10.179 0.447 1.00 0.00 O ATOM 824 CB GLU A 53 -13.037 -12.186 2.805 1.00 0.00 C ATOM 825 CG GLU A 53 -12.836 -11.223 4.006 1.00 0.00 C ATOM 826 CD GLU A 53 -11.534 -10.395 3.992 1.00 0.00 C ATOM 827 OE1 GLU A 53 -10.440 -10.993 4.090 1.00 0.00 O ATOM 828 OE2 GLU A 53 -11.598 -9.150 3.893 1.00 0.00 O ATOM 0 H GLU A 53 -14.189 -13.276 0.886 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.608 -10.547 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.948 -12.760 2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.210 -12.896 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.681 -10.536 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.862 -11.808 4.925 1.00 0.00 H new ATOM 835 N LEU A 54 -11.040 -12.426 0.574 1.00 0.00 N ATOM 836 CA LEU A 54 -9.840 -12.501 -0.267 1.00 0.00 C ATOM 837 C LEU A 54 -10.263 -13.045 -1.637 1.00 0.00 C ATOM 838 O LEU A 54 -11.134 -13.919 -1.714 1.00 0.00 O ATOM 839 CB LEU A 54 -8.767 -13.418 0.389 1.00 0.00 C ATOM 840 CG LEU A 54 -8.305 -12.993 1.819 1.00 0.00 C ATOM 841 CD1 LEU A 54 -7.294 -13.996 2.412 1.00 0.00 C ATOM 842 CD2 LEU A 54 -7.737 -11.553 1.816 1.00 0.00 C ATOM 0 H LEU A 54 -11.288 -13.316 1.007 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.393 -11.513 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.163 -14.432 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.893 -13.449 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.184 -13.003 2.464 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.996 -13.667 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.756 -14.981 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.415 -14.050 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.423 -11.284 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.881 -11.501 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.507 -10.859 1.478 1.00 0.00 H new ATOM 854 N ALA A 55 -9.659 -12.516 -2.709 1.00 0.00 N ATOM 855 CA ALA A 55 -9.961 -12.921 -4.088 1.00 0.00 C ATOM 856 C ALA A 55 -8.663 -12.990 -4.898 1.00 0.00 C ATOM 857 O ALA A 55 -7.720 -12.253 -4.597 1.00 0.00 O ATOM 858 CB ALA A 55 -10.960 -11.938 -4.723 1.00 0.00 C ATOM 0 H ALA A 55 -8.944 -11.792 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.420 -13.910 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.176 -12.249 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.883 -11.931 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.530 -10.937 -4.731 1.00 0.00 H new ATOM 864 N ILE A 56 -8.634 -13.862 -5.922 1.00 0.00 N ATOM 865 CA ILE A 56 -7.430 -14.125 -6.750 1.00 0.00 C ATOM 866 C ILE A 56 -6.890 -12.809 -7.369 1.00 0.00 C ATOM 867 O ILE A 56 -7.601 -12.125 -8.112 1.00 0.00 O ATOM 868 CB ILE A 56 -7.739 -15.179 -7.883 1.00 0.00 C ATOM 869 CG1 ILE A 56 -8.264 -16.513 -7.256 1.00 0.00 C ATOM 870 CG2 ILE A 56 -6.500 -15.445 -8.781 1.00 0.00 C ATOM 871 CD1 ILE A 56 -8.761 -17.541 -8.259 1.00 0.00 C ATOM 0 H ILE A 56 -9.447 -14.410 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.662 -14.542 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.516 -14.759 -8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.463 -16.960 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.075 -16.279 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.756 -16.176 -9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.189 -14.515 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.684 -15.831 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.104 -18.430 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.586 -17.120 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.950 -17.812 -8.935 1.00 0.00 H new ATOM 883 N GLY A 57 -5.640 -12.467 -7.027 1.00 0.00 N ATOM 884 CA GLY A 57 -5.019 -11.184 -7.405 1.00 0.00 C ATOM 885 C GLY A 57 -4.686 -10.322 -6.190 1.00 0.00 C ATOM 886 O GLY A 57 -3.951 -9.336 -6.300 1.00 0.00 O ATOM 0 H GLY A 57 -5.028 -13.072 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.108 -11.377 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.694 -10.636 -8.063 1.00 0.00 H new ATOM 890 N THR A 58 -5.229 -10.715 -5.024 1.00 0.00 N ATOM 891 CA THR A 58 -4.773 -10.228 -3.713 1.00 0.00 C ATOM 892 C THR A 58 -3.413 -10.898 -3.411 1.00 0.00 C ATOM 893 O THR A 58 -3.114 -11.967 -3.951 1.00 0.00 O ATOM 894 CB THR A 58 -5.839 -10.545 -2.596 1.00 0.00 C ATOM 895 OG1 THR A 58 -7.096 -9.934 -2.941 1.00 0.00 O ATOM 896 CG2 THR A 58 -5.413 -10.088 -1.178 1.00 0.00 C ATOM 0 H THR A 58 -5.999 -11.382 -4.966 1.00 0.00 H new ATOM 0 HA THR A 58 -4.653 -9.145 -3.727 1.00 0.00 H new ATOM 0 HB THR A 58 -5.931 -11.630 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.590 -10.523 -3.548 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.197 -10.340 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.489 -10.592 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.253 -9.010 -1.176 1.00 0.00 H new ATOM 904 N VAL A 59 -2.582 -10.254 -2.592 1.00 0.00 N ATOM 905 CA VAL A 59 -1.203 -10.673 -2.329 1.00 0.00 C ATOM 906 C VAL A 59 -0.977 -10.659 -0.814 1.00 0.00 C ATOM 907 O VAL A 59 -1.059 -9.599 -0.189 1.00 0.00 O ATOM 908 CB VAL A 59 -0.163 -9.718 -3.038 1.00 0.00 C ATOM 909 CG1 VAL A 59 1.276 -10.278 -2.912 1.00 0.00 C ATOM 910 CG2 VAL A 59 -0.539 -9.469 -4.524 1.00 0.00 C ATOM 0 H VAL A 59 -2.851 -9.412 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.052 -11.675 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.197 -8.755 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.974 -9.603 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.542 -10.365 -1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.326 -11.261 -3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.198 -8.808 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.555 -10.418 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.524 -9.006 -4.577 1.00 0.00 H new ATOM 920 N ARG A 60 -0.727 -11.835 -0.220 1.00 0.00 N ATOM 921 CA ARG A 60 -0.438 -11.950 1.216 1.00 0.00 C ATOM 922 C ARG A 60 1.074 -11.760 1.431 1.00 0.00 C ATOM 923 O ARG A 60 1.888 -12.363 0.727 1.00 0.00 O ATOM 924 CB ARG A 60 -0.902 -13.316 1.760 1.00 0.00 C ATOM 925 CG ARG A 60 -0.805 -13.449 3.295 1.00 0.00 C ATOM 926 CD ARG A 60 -1.176 -14.854 3.790 1.00 0.00 C ATOM 927 NE ARG A 60 -2.483 -15.305 3.284 1.00 0.00 N ATOM 928 CZ ARG A 60 -3.619 -15.320 3.981 1.00 0.00 C ATOM 929 NH1 ARG A 60 -3.648 -14.917 5.232 1.00 0.00 N ATOM 930 NH2 ARG A 60 -4.723 -15.756 3.416 1.00 0.00 N ATOM 0 H ARG A 60 -0.719 -12.726 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.984 -11.180 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.935 -13.484 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.302 -14.101 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.210 -13.212 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.464 -12.717 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.406 -15.560 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.191 -14.859 4.880 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.522 -15.634 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.794 -14.587 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.525 -14.934 5.753 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.707 -16.081 2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.595 -15.770 3.945 1.00 0.00 H new ATOM 944 N ILE A 61 1.432 -10.912 2.402 1.00 0.00 N ATOM 945 CA ILE A 61 2.814 -10.445 2.614 1.00 0.00 C ATOM 946 C ILE A 61 3.109 -10.422 4.119 1.00 0.00 C ATOM 947 O ILE A 61 2.569 -9.601 4.834 1.00 0.00 O ATOM 948 CB ILE A 61 3.033 -8.999 2.000 1.00 0.00 C ATOM 949 CG1 ILE A 61 2.528 -8.964 0.518 1.00 0.00 C ATOM 950 CG2 ILE A 61 4.527 -8.582 2.108 1.00 0.00 C ATOM 951 CD1 ILE A 61 2.576 -7.632 -0.182 1.00 0.00 C ATOM 0 H ILE A 61 0.767 -10.525 3.071 1.00 0.00 H new ATOM 0 HA ILE A 61 3.495 -11.129 2.109 1.00 0.00 H new ATOM 0 HB ILE A 61 2.450 -8.276 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.120 -9.674 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.498 -9.320 0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.659 -7.587 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.827 -8.570 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.144 -9.295 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.200 -7.742 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.958 -6.915 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.605 -7.274 -0.212 1.00 0.00 H new ATOM 963 N TRP A 62 3.947 -11.338 4.599 1.00 0.00 N ATOM 964 CA TRP A 62 4.312 -11.401 6.031 1.00 0.00 C ATOM 965 C TRP A 62 5.610 -10.639 6.244 1.00 0.00 C ATOM 966 O TRP A 62 6.593 -10.969 5.621 1.00 0.00 O ATOM 967 CB TRP A 62 4.492 -12.864 6.496 1.00 0.00 C ATOM 968 CG TRP A 62 3.266 -13.717 6.307 1.00 0.00 C ATOM 969 CD1 TRP A 62 2.834 -14.266 5.140 1.00 0.00 C ATOM 970 CD2 TRP A 62 2.324 -14.122 7.312 1.00 0.00 C ATOM 971 NE1 TRP A 62 1.704 -14.994 5.358 1.00 0.00 N ATOM 972 CE2 TRP A 62 1.371 -14.930 6.684 1.00 0.00 C ATOM 973 CE3 TRP A 62 2.206 -13.887 8.681 1.00 0.00 C ATOM 974 CZ2 TRP A 62 0.310 -15.506 7.378 1.00 0.00 C ATOM 975 CZ3 TRP A 62 1.154 -14.455 9.372 1.00 0.00 C ATOM 976 CH2 TRP A 62 0.221 -15.264 8.722 1.00 0.00 C ATOM 0 H TRP A 62 4.392 -12.053 4.024 1.00 0.00 H new ATOM 0 HA TRP A 62 3.509 -10.954 6.616 1.00 0.00 H new ATOM 0 HB2 TRP A 62 5.322 -13.310 5.948 1.00 0.00 H new ATOM 0 HB3 TRP A 62 4.768 -12.869 7.551 1.00 0.00 H new ATOM 0 HD1 TRP A 62 3.316 -14.143 4.182 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.186 -15.507 4.644 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.928 -13.269 9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.418 -16.123 6.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 1.052 -14.270 10.431 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -0.585 -15.706 9.289 1.00 0.00 H new ATOM 987 N ILE A 63 5.604 -9.641 7.123 1.00 0.00 N ATOM 988 CA ILE A 63 6.810 -8.851 7.465 1.00 0.00 C ATOM 989 C ILE A 63 7.145 -9.063 8.944 1.00 0.00 C ATOM 990 O ILE A 63 6.344 -9.639 9.683 1.00 0.00 O ATOM 991 CB ILE A 63 6.605 -7.315 7.201 1.00 0.00 C ATOM 992 CG1 ILE A 63 5.395 -6.755 8.008 1.00 0.00 C ATOM 993 CG2 ILE A 63 6.452 -7.019 5.691 1.00 0.00 C ATOM 994 CD1 ILE A 63 5.264 -5.244 7.969 1.00 0.00 C ATOM 0 H ILE A 63 4.767 -9.347 7.626 1.00 0.00 H new ATOM 0 HA ILE A 63 7.625 -9.194 6.828 1.00 0.00 H new ATOM 0 HB ILE A 63 7.501 -6.802 7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.478 -7.198 7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.487 -7.073 9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.312 -5.948 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.349 -7.344 5.164 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.587 -7.556 5.301 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.397 -4.939 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.163 -4.790 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.138 -4.916 6.937 1.00 0.00 H new ATOM 1006 N ARG A 64 8.359 -8.676 9.352 1.00 0.00 N ATOM 1007 CA ARG A 64 8.688 -8.512 10.785 1.00 0.00 C ATOM 1008 C ARG A 64 7.690 -7.560 11.488 1.00 0.00 C ATOM 1009 O ARG A 64 7.313 -6.528 10.915 1.00 0.00 O ATOM 1010 CB ARG A 64 10.140 -7.992 10.963 1.00 0.00 C ATOM 1011 CG ARG A 64 11.233 -8.906 10.379 1.00 0.00 C ATOM 1012 CD ARG A 64 11.158 -10.345 10.926 1.00 0.00 C ATOM 1013 NE ARG A 64 11.165 -10.409 12.406 1.00 0.00 N ATOM 1014 CZ ARG A 64 11.112 -11.538 13.123 1.00 0.00 C ATOM 1015 NH1 ARG A 64 11.071 -12.717 12.534 1.00 0.00 N ATOM 1016 NH2 ARG A 64 11.115 -11.463 14.441 1.00 0.00 N ATOM 0 H ARG A 64 9.131 -8.470 8.718 1.00 0.00 H new ATOM 0 HA ARG A 64 8.608 -9.493 11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.219 -7.011 10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.333 -7.854 12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.140 -8.929 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.213 -8.486 10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.252 -10.822 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 64 12.001 -10.918 10.540 1.00 0.00 H new ATOM 0 HE ARG A 64 11.214 -9.527 12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.079 -12.779 11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.031 -13.567 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.157 -10.553 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.075 -12.315 15.000 1.00 0.00 H new ATOM 1030 N TYR A 65 7.317 -7.922 12.732 1.00 0.00 N ATOM 1031 CA TYR A 65 6.262 -7.253 13.533 1.00 0.00 C ATOM 1032 C TYR A 65 6.522 -5.742 13.670 1.00 0.00 C ATOM 1033 O TYR A 65 7.628 -5.338 14.040 1.00 0.00 O ATOM 1034 CB TYR A 65 6.201 -7.902 14.940 1.00 0.00 C ATOM 1035 CG TYR A 65 4.996 -7.480 15.805 1.00 0.00 C ATOM 1036 CD1 TYR A 65 3.778 -8.139 15.684 1.00 0.00 C ATOM 1037 CD2 TYR A 65 5.073 -6.435 16.734 1.00 0.00 C ATOM 1038 CE1 TYR A 65 2.691 -7.788 16.448 1.00 0.00 C ATOM 1039 CE2 TYR A 65 3.979 -6.083 17.504 1.00 0.00 C ATOM 1040 CZ TYR A 65 2.792 -6.764 17.352 1.00 0.00 C ATOM 1041 OH TYR A 65 1.700 -6.431 18.121 1.00 0.00 O ATOM 0 H TYR A 65 7.749 -8.705 13.222 1.00 0.00 H new ATOM 0 HA TYR A 65 5.311 -7.380 13.016 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.182 -8.985 14.822 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.117 -7.656 15.476 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.684 -8.946 14.973 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.001 -5.895 16.851 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.757 -8.319 16.336 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.056 -5.278 18.220 1.00 0.00 H new ATOM 0 HH TYR A 65 1.966 -6.383 19.063 1.00 0.00 H new ATOM 1051 N ARG A 66 5.492 -4.928 13.366 1.00 0.00 N ATOM 1052 CA ARG A 66 5.574 -3.454 13.395 1.00 0.00 C ATOM 1053 C ARG A 66 4.202 -2.840 13.717 1.00 0.00 C ATOM 1054 O ARG A 66 3.195 -3.181 13.088 1.00 0.00 O ATOM 1055 CB ARG A 66 6.119 -2.895 12.045 1.00 0.00 C ATOM 1056 CG ARG A 66 7.654 -2.935 11.932 1.00 0.00 C ATOM 1057 CD ARG A 66 8.187 -2.642 10.517 1.00 0.00 C ATOM 1058 NE ARG A 66 9.660 -2.567 10.484 1.00 0.00 N ATOM 1059 CZ ARG A 66 10.506 -3.573 10.772 1.00 0.00 C ATOM 1060 NH1 ARG A 66 10.066 -4.784 11.099 1.00 0.00 N ATOM 1061 NH2 ARG A 66 11.809 -3.363 10.716 1.00 0.00 N ATOM 0 H ARG A 66 4.574 -5.277 13.092 1.00 0.00 H new ATOM 0 HA ARG A 66 6.272 -3.174 14.184 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.688 -3.469 11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.782 -1.865 11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.078 -2.209 12.626 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.005 -3.918 12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.849 -3.421 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.768 -1.701 10.160 1.00 0.00 H new ATOM 0 HE ARG A 66 10.074 -1.673 10.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.064 -4.970 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.731 -5.528 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.167 -2.444 10.456 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.457 -4.120 10.933 1.00 0.00 H new ATOM 1075 N LYS A 67 4.199 -1.935 14.710 1.00 0.00 N ATOM 1076 CA LYS A 67 3.033 -1.117 15.082 1.00 0.00 C ATOM 1077 C LYS A 67 2.899 0.110 14.155 1.00 0.00 C ATOM 1078 O LYS A 67 1.840 0.755 14.129 1.00 0.00 O ATOM 1079 CB LYS A 67 3.165 -0.635 16.555 1.00 0.00 C ATOM 1080 CG LYS A 67 3.115 -1.743 17.623 1.00 0.00 C ATOM 1081 CD LYS A 67 1.770 -2.497 17.621 1.00 0.00 C ATOM 1082 CE LYS A 67 1.612 -3.431 18.825 1.00 0.00 C ATOM 1083 NZ LYS A 67 1.647 -2.704 20.116 1.00 0.00 N ATOM 0 H LYS A 67 5.020 -1.748 15.286 1.00 0.00 H new ATOM 0 HA LYS A 67 2.142 -1.736 14.976 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.107 -0.096 16.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.366 0.078 16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.926 -2.450 17.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.282 -1.304 18.607 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.954 -1.775 17.618 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.686 -3.078 16.703 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.669 -3.970 18.741 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.407 -4.176 18.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.273 -3.316 20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.628 -2.440 20.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.065 -1.845 20.047 1.00 0.00 H new ATOM 1097 N ASP A 68 3.964 0.415 13.379 1.00 0.00 N ATOM 1098 CA ASP A 68 4.025 1.639 12.546 1.00 0.00 C ATOM 1099 C ASP A 68 3.457 1.373 11.148 1.00 0.00 C ATOM 1100 O ASP A 68 3.037 2.309 10.461 1.00 0.00 O ATOM 1101 CB ASP A 68 5.484 2.189 12.447 1.00 0.00 C ATOM 1102 CG ASP A 68 6.476 1.257 11.710 1.00 0.00 C ATOM 1103 OD1 ASP A 68 7.048 0.361 12.360 1.00 0.00 O ATOM 1104 OD2 ASP A 68 6.696 1.428 10.487 1.00 0.00 O ATOM 0 H ASP A 68 4.796 -0.172 13.312 1.00 0.00 H new ATOM 0 HA ASP A 68 3.413 2.399 13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.461 3.151 11.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.858 2.372 13.454 1.00 0.00 H new ATOM 1109 N ILE A 69 3.427 0.092 10.742 1.00 0.00 N ATOM 1110 CA ILE A 69 2.861 -0.318 9.445 1.00 0.00 C ATOM 1111 C ILE A 69 1.326 -0.295 9.505 1.00 0.00 C ATOM 1112 O ILE A 69 0.718 -0.864 10.419 1.00 0.00 O ATOM 1113 CB ILE A 69 3.383 -1.733 9.005 1.00 0.00 C ATOM 1114 CG1 ILE A 69 4.943 -1.723 8.905 1.00 0.00 C ATOM 1115 CG2 ILE A 69 2.731 -2.191 7.671 1.00 0.00 C ATOM 1116 CD1 ILE A 69 5.534 -0.709 7.945 1.00 0.00 C ATOM 0 H ILE A 69 3.791 -0.682 11.298 1.00 0.00 H new ATOM 0 HA ILE A 69 3.194 0.397 8.693 1.00 0.00 H new ATOM 0 HB ILE A 69 3.092 -2.458 9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.351 -1.536 9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.276 -2.717 8.605 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.115 -3.174 7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.649 -2.246 7.795 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.971 -1.475 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.621 -0.789 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.165 -0.903 6.938 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.241 0.295 8.251 1.00 0.00 H new ATOM 1128 N ASN A 70 0.725 0.387 8.522 1.00 0.00 N ATOM 1129 CA ASN A 70 -0.723 0.573 8.410 1.00 0.00 C ATOM 1130 C ASN A 70 -1.135 0.463 6.933 1.00 0.00 C ATOM 1131 O ASN A 70 -0.277 0.505 6.042 1.00 0.00 O ATOM 1132 CB ASN A 70 -1.139 1.950 8.994 1.00 0.00 C ATOM 1133 CG ASN A 70 -2.651 2.097 9.196 1.00 0.00 C ATOM 1134 OD1 ASN A 70 -3.346 1.132 9.530 1.00 0.00 O ATOM 1135 ND2 ASN A 70 -3.177 3.273 8.938 1.00 0.00 N ATOM 0 H ASN A 70 1.245 0.834 7.767 1.00 0.00 H new ATOM 0 HA ASN A 70 -1.233 -0.202 8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.637 2.097 9.950 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.791 2.739 8.327 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.185 3.408 9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -2.577 4.051 8.664 1.00 0.00 H new ATOM 1142 N ALA A 71 -2.457 0.363 6.684 1.00 0.00 N ATOM 1143 CA ALA A 71 -3.037 0.294 5.330 1.00 0.00 C ATOM 1144 C ALA A 71 -2.807 1.586 4.507 1.00 0.00 C ATOM 1145 O ALA A 71 -3.088 1.625 3.304 1.00 0.00 O ATOM 1146 CB ALA A 71 -4.534 -0.053 5.426 1.00 0.00 C ATOM 0 H ALA A 71 -3.157 0.328 7.425 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.518 -0.497 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.961 -0.103 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.653 -1.017 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.050 0.716 6.002 1.00 0.00 H new ATOM 1152 N THR A 72 -2.270 2.628 5.170 1.00 0.00 N ATOM 1153 CA THR A 72 -1.950 3.922 4.558 1.00 0.00 C ATOM 1154 C THR A 72 -0.544 3.933 3.910 1.00 0.00 C ATOM 1155 O THR A 72 0.034 5.002 3.673 1.00 0.00 O ATOM 1156 CB THR A 72 -2.066 5.041 5.642 1.00 0.00 C ATOM 1157 OG1 THR A 72 -1.225 4.711 6.765 1.00 0.00 O ATOM 1158 CG2 THR A 72 -3.511 5.212 6.134 1.00 0.00 C ATOM 0 H THR A 72 -2.044 2.588 6.164 1.00 0.00 H new ATOM 0 HA THR A 72 -2.664 4.106 3.755 1.00 0.00 H new ATOM 0 HB THR A 72 -1.748 5.979 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.296 5.413 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.548 5.999 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.152 5.482 5.294 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.860 4.276 6.570 1.00 0.00 H new ATOM 1166 N SER A 73 -0.002 2.741 3.617 1.00 0.00 N ATOM 1167 CA SER A 73 1.254 2.580 2.875 1.00 0.00 C ATOM 1168 C SER A 73 1.082 1.579 1.724 1.00 0.00 C ATOM 1169 O SER A 73 0.022 0.955 1.572 1.00 0.00 O ATOM 1170 CB SER A 73 2.392 2.167 3.835 1.00 0.00 C ATOM 1171 OG SER A 73 2.676 3.223 4.743 1.00 0.00 O ATOM 0 H SER A 73 -0.428 1.856 3.891 1.00 0.00 H new ATOM 0 HA SER A 73 1.527 3.537 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.106 1.271 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.287 1.918 3.264 1.00 0.00 H new ATOM 0 HG SER A 73 3.397 2.950 5.347 1.00 0.00 H new ATOM 1177 N ARG A 74 2.126 1.469 0.887 1.00 0.00 N ATOM 1178 CA ARG A 74 2.198 0.494 -0.209 1.00 0.00 C ATOM 1179 C ARG A 74 3.408 -0.416 0.014 1.00 0.00 C ATOM 1180 O ARG A 74 4.466 0.047 0.453 1.00 0.00 O ATOM 1181 CB ARG A 74 2.326 1.204 -1.589 1.00 0.00 C ATOM 1182 CG ARG A 74 1.192 2.185 -1.912 1.00 0.00 C ATOM 1183 CD ARG A 74 1.366 2.859 -3.285 1.00 0.00 C ATOM 1184 NE ARG A 74 1.237 1.916 -4.405 1.00 0.00 N ATOM 1185 CZ ARG A 74 1.053 2.261 -5.691 1.00 0.00 C ATOM 1186 NH1 ARG A 74 1.026 3.533 -6.065 1.00 0.00 N ATOM 1187 NH2 ARG A 74 0.892 1.309 -6.597 1.00 0.00 N ATOM 0 H ARG A 74 2.953 2.062 0.955 1.00 0.00 H new ATOM 0 HA ARG A 74 1.279 -0.092 -0.215 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.273 1.742 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.366 0.445 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.240 1.654 -1.890 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.148 2.951 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.622 3.648 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.345 3.336 -3.329 1.00 0.00 H new ATOM 0 HE ARG A 74 1.291 0.921 -4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.146 4.271 -5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.885 3.773 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.909 0.329 -6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.751 1.556 -7.577 1.00 0.00 H new ATOM 1201 N ILE A 75 3.242 -1.704 -0.277 1.00 0.00 N ATOM 1202 CA ILE A 75 4.322 -2.688 -0.237 1.00 0.00 C ATOM 1203 C ILE A 75 4.873 -2.909 -1.658 1.00 0.00 C ATOM 1204 O ILE A 75 4.220 -3.544 -2.486 1.00 0.00 O ATOM 1205 CB ILE A 75 3.802 -4.053 0.354 1.00 0.00 C ATOM 1206 CG1 ILE A 75 3.209 -3.875 1.793 1.00 0.00 C ATOM 1207 CG2 ILE A 75 4.915 -5.118 0.339 1.00 0.00 C ATOM 1208 CD1 ILE A 75 4.189 -3.384 2.844 1.00 0.00 C ATOM 0 H ILE A 75 2.342 -2.099 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 75 5.117 -2.312 0.406 1.00 0.00 H new ATOM 0 HB ILE A 75 2.992 -4.400 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.377 -3.173 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.800 -4.831 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.531 -6.051 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.246 -5.284 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.756 -4.774 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.679 -3.295 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.011 -4.094 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.581 -2.411 2.549 1.00 0.00 H new ATOM 1220 N LYS A 76 6.064 -2.366 -1.949 1.00 0.00 N ATOM 1221 CA LYS A 76 6.756 -2.641 -3.218 1.00 0.00 C ATOM 1222 C LYS A 76 7.658 -3.859 -3.024 1.00 0.00 C ATOM 1223 O LYS A 76 8.408 -3.912 -2.053 1.00 0.00 O ATOM 1224 CB LYS A 76 7.595 -1.428 -3.681 1.00 0.00 C ATOM 1225 CG LYS A 76 8.241 -1.618 -5.074 1.00 0.00 C ATOM 1226 CD LYS A 76 9.078 -0.405 -5.526 1.00 0.00 C ATOM 1227 CE LYS A 76 9.660 -0.569 -6.940 1.00 0.00 C ATOM 1228 NZ LYS A 76 10.463 0.605 -7.359 1.00 0.00 N ATOM 0 H LYS A 76 6.568 -1.735 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 76 6.013 -2.837 -3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.959 -0.543 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.380 -1.239 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.877 -2.503 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.457 -1.804 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.456 0.490 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.893 -0.250 -4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.283 -1.463 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.847 -0.722 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.834 0.448 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.864 1.455 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.256 0.737 -6.699 1.00 0.00 H new ATOM 1242 N VAL A 77 7.585 -4.831 -3.935 1.00 0.00 N ATOM 1243 CA VAL A 77 8.369 -6.070 -3.841 1.00 0.00 C ATOM 1244 C VAL A 77 9.779 -5.862 -4.416 1.00 0.00 C ATOM 1245 O VAL A 77 9.935 -5.433 -5.563 1.00 0.00 O ATOM 1246 CB VAL A 77 7.648 -7.236 -4.587 1.00 0.00 C ATOM 1247 CG1 VAL A 77 8.456 -8.554 -4.516 1.00 0.00 C ATOM 1248 CG2 VAL A 77 6.224 -7.426 -4.029 1.00 0.00 C ATOM 0 H VAL A 77 6.984 -4.785 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 77 8.459 -6.336 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 77 7.577 -6.965 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.919 -9.339 -5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.433 -8.407 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.586 -8.845 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.732 -8.242 -4.558 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.278 -7.663 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.653 -6.508 -4.168 1.00 0.00 H new ATOM 1258 N SER A 78 10.792 -6.133 -3.577 1.00 0.00 N ATOM 1259 CA SER A 78 12.207 -6.107 -3.975 1.00 0.00 C ATOM 1260 C SER A 78 12.595 -7.467 -4.576 1.00 0.00 C ATOM 1261 O SER A 78 13.304 -7.544 -5.584 1.00 0.00 O ATOM 1262 CB SER A 78 13.102 -5.774 -2.753 1.00 0.00 C ATOM 1263 OG SER A 78 14.470 -5.701 -3.105 1.00 0.00 O ATOM 0 H SER A 78 10.650 -6.378 -2.597 1.00 0.00 H new ATOM 0 HA SER A 78 12.357 -5.332 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.787 -4.824 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.965 -6.535 -1.985 1.00 0.00 H new ATOM 0 HG SER A 78 15.002 -5.488 -2.310 1.00 0.00 H new ATOM 1269 N THR A 79 12.063 -8.545 -3.973 1.00 0.00 N ATOM 1270 CA THR A 79 12.400 -9.936 -4.307 1.00 0.00 C ATOM 1271 C THR A 79 11.132 -10.778 -4.097 1.00 0.00 C ATOM 1272 O THR A 79 10.493 -10.667 -3.038 1.00 0.00 O ATOM 1273 CB THR A 79 13.556 -10.497 -3.402 1.00 0.00 C ATOM 1274 OG1 THR A 79 13.200 -10.375 -2.025 1.00 0.00 O ATOM 1275 CG2 THR A 79 14.899 -9.788 -3.630 1.00 0.00 C ATOM 0 H THR A 79 11.373 -8.470 -3.225 1.00 0.00 H new ATOM 0 HA THR A 79 12.750 -9.982 -5.338 1.00 0.00 H new ATOM 0 HB THR A 79 13.684 -11.543 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.924 -10.728 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 79 15.655 -10.222 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.204 -9.912 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.792 -8.726 -3.408 1.00 0.00 H new ATOM 1283 N GLY A 80 10.745 -11.569 -5.107 1.00 0.00 N ATOM 1284 CA GLY A 80 9.531 -12.395 -5.051 1.00 0.00 C ATOM 1285 C GLY A 80 8.902 -12.589 -6.424 1.00 0.00 C ATOM 1286 O GLY A 80 9.521 -12.224 -7.431 1.00 0.00 O ATOM 0 H GLY A 80 11.262 -11.654 -5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.775 -13.368 -4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.806 -11.928 -4.384 1.00 0.00 H new ATOM 1290 N PRO A 81 7.652 -13.154 -6.506 1.00 0.00 N ATOM 1291 CA PRO A 81 6.951 -13.387 -7.797 1.00 0.00 C ATOM 1292 C PRO A 81 6.397 -12.086 -8.423 1.00 0.00 C ATOM 1293 O PRO A 81 5.794 -12.121 -9.494 1.00 0.00 O ATOM 1294 CB PRO A 81 5.807 -14.355 -7.402 1.00 0.00 C ATOM 1295 CG PRO A 81 5.485 -13.977 -5.981 1.00 0.00 C ATOM 1296 CD PRO A 81 6.825 -13.621 -5.350 1.00 0.00 C ATOM 0 HA PRO A 81 7.617 -13.785 -8.562 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.941 -14.236 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.121 -15.396 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.796 -13.133 -5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 81 5.007 -14.802 -5.452 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.717 -12.842 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.276 -14.482 -4.857 1.00 0.00 H new ATOM 1304 N LEU A 82 6.591 -10.946 -7.727 1.00 0.00 N ATOM 1305 CA LEU A 82 6.141 -9.616 -8.180 1.00 0.00 C ATOM 1306 C LEU A 82 7.302 -8.609 -8.087 1.00 0.00 C ATOM 1307 O LEU A 82 7.080 -7.423 -7.828 1.00 0.00 O ATOM 1308 CB LEU A 82 4.953 -9.146 -7.301 1.00 0.00 C ATOM 1309 CG LEU A 82 3.671 -10.030 -7.332 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.651 -9.539 -6.291 1.00 0.00 C ATOM 1311 CD2 LEU A 82 3.047 -10.077 -8.748 1.00 0.00 C ATOM 0 H LEU A 82 7.069 -10.925 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 82 5.815 -9.678 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.297 -9.081 -6.269 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.679 -8.137 -7.610 1.00 0.00 H new ATOM 0 HG LEU A 82 3.960 -11.048 -7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.762 -10.169 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.093 -9.592 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.374 -8.508 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.155 -10.703 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.777 -9.068 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.769 -10.493 -9.450 1.00 0.00 H new ATOM 1323 N ALA A 83 8.536 -9.100 -8.313 1.00 0.00 N ATOM 1324 CA ALA A 83 9.773 -8.303 -8.167 1.00 0.00 C ATOM 1325 C ALA A 83 9.788 -7.087 -9.129 1.00 0.00 C ATOM 1326 O ALA A 83 9.961 -7.243 -10.346 1.00 0.00 O ATOM 1327 CB ALA A 83 10.997 -9.204 -8.392 1.00 0.00 C ATOM 0 H ALA A 83 8.705 -10.063 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 83 9.808 -7.904 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.907 -8.615 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.996 -10.009 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.957 -9.629 -9.395 1.00 0.00 H new ATOM 1333 N GLY A 84 9.554 -5.885 -8.559 1.00 0.00 N ATOM 1334 CA GLY A 84 9.527 -4.624 -9.321 1.00 0.00 C ATOM 1335 C GLY A 84 8.165 -3.934 -9.283 1.00 0.00 C ATOM 1336 O GLY A 84 8.061 -2.735 -9.572 1.00 0.00 O ATOM 0 H GLY A 84 9.379 -5.765 -7.561 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.282 -3.948 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.797 -4.826 -10.357 1.00 0.00 H new ATOM 1340 N ARG A 85 7.120 -4.696 -8.926 1.00 0.00 N ATOM 1341 CA ARG A 85 5.741 -4.192 -8.798 1.00 0.00 C ATOM 1342 C ARG A 85 5.507 -3.583 -7.413 1.00 0.00 C ATOM 1343 O ARG A 85 6.204 -3.913 -6.446 1.00 0.00 O ATOM 1344 CB ARG A 85 4.725 -5.332 -9.069 1.00 0.00 C ATOM 1345 CG ARG A 85 4.653 -5.757 -10.556 1.00 0.00 C ATOM 1346 CD ARG A 85 3.740 -6.969 -10.774 1.00 0.00 C ATOM 1347 NE ARG A 85 3.436 -7.212 -12.201 1.00 0.00 N ATOM 1348 CZ ARG A 85 2.202 -7.282 -12.723 1.00 0.00 C ATOM 1349 NH1 ARG A 85 1.130 -7.076 -11.962 1.00 0.00 N ATOM 1350 NH2 ARG A 85 2.057 -7.559 -14.014 1.00 0.00 N ATOM 0 H ARG A 85 7.208 -5.690 -8.715 1.00 0.00 H new ATOM 0 HA ARG A 85 5.594 -3.408 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.994 -6.198 -8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.736 -5.011 -8.743 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.290 -4.920 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.656 -5.992 -10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.215 -7.855 -10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.808 -6.818 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 85 4.224 -7.336 -12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.242 -6.862 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.197 -7.132 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.879 -7.716 -14.597 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.124 -7.615 -14.422 1.00 0.00 H new ATOM 1364 N VAL A 86 4.486 -2.712 -7.333 1.00 0.00 N ATOM 1365 CA VAL A 86 4.164 -1.939 -6.128 1.00 0.00 C ATOM 1366 C VAL A 86 2.693 -2.177 -5.719 1.00 0.00 C ATOM 1367 O VAL A 86 1.743 -1.606 -6.279 1.00 0.00 O ATOM 1368 CB VAL A 86 4.502 -0.408 -6.312 1.00 0.00 C ATOM 1369 CG1 VAL A 86 3.857 0.195 -7.590 1.00 0.00 C ATOM 1370 CG2 VAL A 86 4.134 0.401 -5.042 1.00 0.00 C ATOM 0 H VAL A 86 3.856 -2.525 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 86 4.794 -2.290 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 86 5.580 -0.334 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.121 1.250 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.223 -0.337 -8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.773 0.096 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.378 1.452 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.067 0.301 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.699 0.019 -4.191 1.00 0.00 H new ATOM 1380 N LEU A 87 2.543 -3.075 -4.749 1.00 0.00 N ATOM 1381 CA LEU A 87 1.252 -3.479 -4.186 1.00 0.00 C ATOM 1382 C LEU A 87 0.818 -2.455 -3.124 1.00 0.00 C ATOM 1383 O LEU A 87 1.653 -1.838 -2.479 1.00 0.00 O ATOM 1384 CB LEU A 87 1.351 -4.910 -3.576 1.00 0.00 C ATOM 1385 CG LEU A 87 1.676 -6.085 -4.560 1.00 0.00 C ATOM 1386 CD1 LEU A 87 0.666 -6.147 -5.718 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.126 -6.031 -5.088 1.00 0.00 C ATOM 0 H LEU A 87 3.334 -3.556 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 87 0.502 -3.506 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.118 -4.895 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.405 -5.134 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 87 1.584 -7.005 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.922 -6.974 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.337 -6.300 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.695 -5.212 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.298 -6.868 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.284 -5.094 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.821 -6.094 -4.250 1.00 0.00 H new ATOM 1399 N ASN A 88 -0.494 -2.265 -2.978 1.00 0.00 N ATOM 1400 CA ASN A 88 -1.092 -1.318 -2.009 1.00 0.00 C ATOM 1401 C ASN A 88 -1.793 -2.119 -0.920 1.00 0.00 C ATOM 1402 O ASN A 88 -2.472 -3.098 -1.240 1.00 0.00 O ATOM 1403 CB ASN A 88 -2.120 -0.378 -2.705 1.00 0.00 C ATOM 1404 CG ASN A 88 -1.551 0.403 -3.889 1.00 0.00 C ATOM 1405 OD1 ASN A 88 -0.780 -0.128 -4.687 1.00 0.00 O ATOM 1406 ND2 ASN A 88 -1.875 1.685 -3.986 1.00 0.00 N ATOM 0 H ASN A 88 -1.188 -2.766 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.302 -0.699 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.965 -0.974 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.506 0.328 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.483 2.255 -4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.517 2.101 -3.311 1.00 0.00 H new ATOM 1413 N ILE A 89 -1.700 -1.670 0.343 1.00 0.00 N ATOM 1414 CA ILE A 89 -2.199 -2.452 1.486 1.00 0.00 C ATOM 1415 C ILE A 89 -3.716 -2.257 1.596 1.00 0.00 C ATOM 1416 O ILE A 89 -4.188 -1.223 2.087 1.00 0.00 O ATOM 1417 CB ILE A 89 -1.504 -2.049 2.839 1.00 0.00 C ATOM 1418 CG1 ILE A 89 0.051 -2.098 2.700 1.00 0.00 C ATOM 1419 CG2 ILE A 89 -1.987 -2.962 4.014 1.00 0.00 C ATOM 1420 CD1 ILE A 89 0.803 -1.542 3.900 1.00 0.00 C ATOM 0 H ILE A 89 -1.286 -0.773 0.597 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.960 -3.500 1.308 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.792 -1.024 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.358 -3.132 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.343 -1.538 1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.490 -2.661 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.066 -2.861 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.742 -4.001 3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.876 -1.613 3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.529 -0.498 4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.544 -2.116 4.790 1.00 0.00 H new ATOM 1432 N ILE A 90 -4.464 -3.229 1.067 1.00 0.00 N ATOM 1433 CA ILE A 90 -5.932 -3.227 1.117 1.00 0.00 C ATOM 1434 C ILE A 90 -6.417 -3.735 2.493 1.00 0.00 C ATOM 1435 O ILE A 90 -5.756 -4.567 3.117 1.00 0.00 O ATOM 1436 CB ILE A 90 -6.554 -4.091 -0.051 1.00 0.00 C ATOM 1437 CG1 ILE A 90 -6.014 -5.560 -0.028 1.00 0.00 C ATOM 1438 CG2 ILE A 90 -6.279 -3.430 -1.430 1.00 0.00 C ATOM 1439 CD1 ILE A 90 -6.722 -6.524 -0.965 1.00 0.00 C ATOM 0 H ILE A 90 -4.070 -4.041 0.591 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.274 -2.201 0.979 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.632 -4.131 0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.954 -5.545 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.093 -5.943 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.716 -4.041 -2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.725 -2.436 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.203 -3.349 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.275 -7.514 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.778 -6.578 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.622 -6.173 -1.992 1.00 0.00 H new ATOM 1451 N GLY A 91 -7.547 -3.189 2.965 1.00 0.00 N ATOM 1452 CA GLY A 91 -8.141 -3.586 4.247 1.00 0.00 C ATOM 1453 C GLY A 91 -7.412 -2.984 5.448 1.00 0.00 C ATOM 1454 O GLY A 91 -7.545 -1.783 5.717 1.00 0.00 O ATOM 0 H GLY A 91 -8.071 -2.465 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.186 -3.277 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.128 -4.673 4.327 1.00 0.00 H new ATOM 1458 N GLN A 92 -6.629 -3.818 6.158 1.00 0.00 N ATOM 1459 CA GLN A 92 -5.901 -3.413 7.377 1.00 0.00 C ATOM 1460 C GLN A 92 -4.774 -4.424 7.676 1.00 0.00 C ATOM 1461 O GLN A 92 -4.955 -5.622 7.429 1.00 0.00 O ATOM 1462 CB GLN A 92 -6.870 -3.327 8.599 1.00 0.00 C ATOM 1463 CG GLN A 92 -7.579 -4.659 8.956 1.00 0.00 C ATOM 1464 CD GLN A 92 -8.410 -4.607 10.241 1.00 0.00 C ATOM 1465 OE1 GLN A 92 -8.933 -3.560 10.621 1.00 0.00 O ATOM 1466 NE2 GLN A 92 -8.555 -5.744 10.914 1.00 0.00 N ATOM 0 H GLN A 92 -6.483 -4.794 5.902 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.469 -2.427 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.308 -2.986 9.468 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.628 -2.571 8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.229 -4.944 8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.827 -5.442 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -8.110 -6.597 10.576 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.111 -5.763 11.769 1.00 0.00 H new ATOM 1475 N PRO A 93 -3.594 -3.976 8.215 1.00 0.00 N ATOM 1476 CA PRO A 93 -2.529 -4.904 8.667 1.00 0.00 C ATOM 1477 C PRO A 93 -2.974 -5.670 9.937 1.00 0.00 C ATOM 1478 O PRO A 93 -3.389 -5.057 10.932 1.00 0.00 O ATOM 1479 CB PRO A 93 -1.334 -3.963 8.952 1.00 0.00 C ATOM 1480 CG PRO A 93 -1.970 -2.661 9.307 1.00 0.00 C ATOM 1481 CD PRO A 93 -3.194 -2.553 8.418 1.00 0.00 C ATOM 0 HA PRO A 93 -2.286 -5.676 7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.716 -4.340 9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.687 -3.866 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.247 -2.634 10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.286 -1.830 9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.987 -1.976 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.963 -2.061 7.473 1.00 0.00 H new ATOM 1489 N LEU A 94 -2.909 -7.002 9.881 1.00 0.00 N ATOM 1490 CA LEU A 94 -3.375 -7.881 10.967 1.00 0.00 C ATOM 1491 C LEU A 94 -2.149 -8.575 11.609 1.00 0.00 C ATOM 1492 O LEU A 94 -1.489 -9.366 10.938 1.00 0.00 O ATOM 1493 CB LEU A 94 -4.405 -8.905 10.378 1.00 0.00 C ATOM 1494 CG LEU A 94 -5.358 -9.659 11.371 1.00 0.00 C ATOM 1495 CD1 LEU A 94 -4.645 -10.777 12.155 1.00 0.00 C ATOM 1496 CD2 LEU A 94 -6.077 -8.669 12.321 1.00 0.00 C ATOM 0 H LEU A 94 -2.531 -7.508 9.080 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.880 -7.315 11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.028 -8.373 9.659 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.845 -9.656 9.820 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.115 -10.151 10.760 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.355 -11.262 12.825 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.245 -11.512 11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.830 -10.349 12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.730 -9.222 12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.336 -8.119 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.671 -7.969 11.734 1.00 0.00 H new ATOM 1508 N PRO A 95 -1.787 -8.246 12.894 1.00 0.00 N ATOM 1509 CA PRO A 95 -0.681 -8.924 13.630 1.00 0.00 C ATOM 1510 C PRO A 95 -0.822 -10.459 13.677 1.00 0.00 C ATOM 1511 O PRO A 95 -1.938 -10.973 13.798 1.00 0.00 O ATOM 1512 CB PRO A 95 -0.773 -8.320 15.060 1.00 0.00 C ATOM 1513 CG PRO A 95 -1.385 -6.974 14.837 1.00 0.00 C ATOM 1514 CD PRO A 95 -2.390 -7.162 13.718 1.00 0.00 C ATOM 0 HA PRO A 95 0.278 -8.760 13.139 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.388 -8.936 15.716 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.209 -8.241 15.525 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.870 -6.610 15.742 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.627 -6.240 14.564 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.370 -7.446 14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.526 -6.247 13.142 1.00 0.00 H new ATOM 1522 N ASP A 96 0.319 -11.167 13.575 1.00 0.00 N ATOM 1523 CA ASP A 96 0.398 -12.638 13.743 1.00 0.00 C ATOM 1524 C ASP A 96 -0.260 -13.124 15.058 1.00 0.00 C ATOM 1525 O ASP A 96 -0.366 -12.361 16.023 1.00 0.00 O ATOM 1526 CB ASP A 96 1.889 -13.042 13.703 1.00 0.00 C ATOM 1527 CG ASP A 96 2.192 -14.516 14.037 1.00 0.00 C ATOM 1528 OD1 ASP A 96 1.652 -15.418 13.360 1.00 0.00 O ATOM 1529 OD2 ASP A 96 3.007 -14.768 14.947 1.00 0.00 O ATOM 0 H ASP A 96 1.220 -10.735 13.372 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.157 -13.113 12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.278 -12.827 12.708 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.436 -12.410 14.403 1.00 0.00 H new ATOM 1534 N ALA A 97 -0.680 -14.407 15.068 1.00 0.00 N ATOM 1535 CA ALA A 97 -1.300 -15.073 16.235 1.00 0.00 C ATOM 1536 C ALA A 97 -0.351 -15.104 17.457 1.00 0.00 C ATOM 1537 O ALA A 97 -0.799 -14.989 18.601 1.00 0.00 O ATOM 1538 CB ALA A 97 -1.741 -16.497 15.849 1.00 0.00 C ATOM 0 H ALA A 97 -0.597 -15.018 14.255 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.175 -14.493 16.528 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.197 -16.983 16.712 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.466 -16.446 15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.873 -17.072 15.525 1.00 0.00 H new ATOM 1544 N ALA A 98 0.956 -15.276 17.195 1.00 0.00 N ATOM 1545 CA ALA A 98 2.007 -15.252 18.242 1.00 0.00 C ATOM 1546 C ALA A 98 2.677 -13.867 18.338 1.00 0.00 C ATOM 1547 O ALA A 98 3.512 -13.645 19.219 1.00 0.00 O ATOM 1548 CB ALA A 98 3.064 -16.335 17.963 1.00 0.00 C ATOM 0 H ALA A 98 1.319 -15.436 16.255 1.00 0.00 H new ATOM 0 HA ALA A 98 1.528 -15.459 19.199 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.829 -16.306 18.739 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.588 -17.316 17.959 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.525 -16.152 16.992 1.00 0.00 H new ATOM 1554 N ARG A 99 2.322 -12.956 17.395 1.00 0.00 N ATOM 1555 CA ARG A 99 2.854 -11.569 17.312 1.00 0.00 C ATOM 1556 C ARG A 99 4.388 -11.541 17.068 1.00 0.00 C ATOM 1557 O ARG A 99 5.057 -10.552 17.381 1.00 0.00 O ATOM 1558 CB ARG A 99 2.462 -10.710 18.568 1.00 0.00 C ATOM 1559 CG ARG A 99 0.966 -10.297 18.675 1.00 0.00 C ATOM 1560 CD ARG A 99 0.019 -11.452 19.051 1.00 0.00 C ATOM 1561 NE ARG A 99 0.369 -12.068 20.350 1.00 0.00 N ATOM 1562 CZ ARG A 99 -0.442 -12.850 21.081 1.00 0.00 C ATOM 1563 NH1 ARG A 99 -1.672 -13.118 20.679 1.00 0.00 N ATOM 1564 NH2 ARG A 99 -0.006 -13.364 22.219 1.00 0.00 N ATOM 0 H ARG A 99 1.648 -13.167 16.659 1.00 0.00 H new ATOM 0 HA ARG A 99 2.381 -11.112 16.443 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.728 -11.271 19.464 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.069 -9.804 18.567 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.871 -9.507 19.420 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.647 -9.876 17.721 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.005 -11.080 19.092 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.050 -12.213 18.271 1.00 0.00 H new ATOM 0 HE ARG A 99 1.301 -11.884 20.720 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.018 -12.729 19.802 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.275 -13.714 21.246 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.942 -13.166 22.538 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.618 -13.959 22.778 1.00 0.00 H new ATOM 1578 N THR A 100 4.927 -12.613 16.456 1.00 0.00 N ATOM 1579 CA THR A 100 6.372 -12.713 16.113 1.00 0.00 C ATOM 1580 C THR A 100 6.685 -11.998 14.768 1.00 0.00 C ATOM 1581 O THR A 100 7.846 -11.877 14.359 1.00 0.00 O ATOM 1582 CB THR A 100 6.801 -14.212 16.025 1.00 0.00 C ATOM 1583 OG1 THR A 100 6.037 -14.873 15.006 1.00 0.00 O ATOM 1584 CG2 THR A 100 6.602 -14.951 17.366 1.00 0.00 C ATOM 0 H THR A 100 4.384 -13.432 16.184 1.00 0.00 H new ATOM 0 HA THR A 100 6.938 -12.218 16.903 1.00 0.00 H new ATOM 0 HB THR A 100 7.863 -14.235 15.781 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.309 -15.813 14.951 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.913 -15.990 17.258 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.202 -14.471 18.139 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.550 -14.915 17.649 1.00 0.00 H new ATOM 1592 N ARG A 101 5.615 -11.517 14.117 1.00 0.00 N ATOM 1593 CA ARG A 101 5.607 -11.012 12.732 1.00 0.00 C ATOM 1594 C ARG A 101 4.247 -10.310 12.489 1.00 0.00 C ATOM 1595 O ARG A 101 3.410 -10.225 13.400 1.00 0.00 O ATOM 1596 CB ARG A 101 5.830 -12.183 11.721 1.00 0.00 C ATOM 1597 CG ARG A 101 5.000 -13.428 12.070 1.00 0.00 C ATOM 1598 CD ARG A 101 4.790 -14.406 10.928 1.00 0.00 C ATOM 1599 NE ARG A 101 3.977 -15.551 11.383 1.00 0.00 N ATOM 1600 CZ ARG A 101 3.616 -16.605 10.659 1.00 0.00 C ATOM 1601 NH1 ARG A 101 4.035 -16.774 9.415 1.00 0.00 N ATOM 1602 NH2 ARG A 101 2.792 -17.480 11.204 1.00 0.00 N ATOM 0 H ARG A 101 4.696 -11.466 14.556 1.00 0.00 H new ATOM 0 HA ARG A 101 6.419 -10.301 12.581 1.00 0.00 H new ATOM 0 HB2 ARG A 101 5.570 -11.847 10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.887 -12.448 11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 101 5.489 -13.952 12.891 1.00 0.00 H new ATOM 0 HG3 ARG A 101 4.025 -13.105 12.434 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.294 -13.905 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.753 -14.758 10.559 1.00 0.00 H new ATOM 0 HE ARG A 101 3.660 -15.531 12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.653 -16.084 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.740 -17.594 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.451 -17.336 12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.496 -18.300 10.675 1.00 0.00 H new ATOM 1616 N LEU A 102 4.014 -9.845 11.261 1.00 0.00 N ATOM 1617 CA LEU A 102 2.828 -9.042 10.912 1.00 0.00 C ATOM 1618 C LEU A 102 2.271 -9.538 9.560 1.00 0.00 C ATOM 1619 O LEU A 102 2.968 -9.477 8.544 1.00 0.00 O ATOM 1620 CB LEU A 102 3.223 -7.515 10.846 1.00 0.00 C ATOM 1621 CG LEU A 102 2.190 -6.460 11.381 1.00 0.00 C ATOM 1622 CD1 LEU A 102 0.799 -6.606 10.741 1.00 0.00 C ATOM 1623 CD2 LEU A 102 2.105 -6.495 12.918 1.00 0.00 C ATOM 0 H LEU A 102 4.641 -10.012 10.474 1.00 0.00 H new ATOM 0 HA LEU A 102 2.054 -9.155 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 102 4.150 -7.386 11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.440 -7.271 9.806 1.00 0.00 H new ATOM 0 HG LEU A 102 2.564 -5.481 11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.129 -5.850 11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.879 -6.474 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.402 -7.598 10.956 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.382 -5.754 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.789 -7.486 13.242 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.084 -6.269 13.342 1.00 0.00 H new ATOM 1635 N GLU A 103 1.024 -10.036 9.566 1.00 0.00 N ATOM 1636 CA GLU A 103 0.332 -10.471 8.344 1.00 0.00 C ATOM 1637 C GLU A 103 -0.245 -9.246 7.626 1.00 0.00 C ATOM 1638 O GLU A 103 -1.200 -8.623 8.105 1.00 0.00 O ATOM 1639 CB GLU A 103 -0.805 -11.475 8.669 1.00 0.00 C ATOM 1640 CG GLU A 103 -1.569 -11.995 7.435 1.00 0.00 C ATOM 1641 CD GLU A 103 -2.798 -12.840 7.805 1.00 0.00 C ATOM 1642 OE1 GLU A 103 -3.869 -12.259 8.085 1.00 0.00 O ATOM 1643 OE2 GLU A 103 -2.703 -14.083 7.815 1.00 0.00 O ATOM 0 H GLU A 103 0.470 -10.148 10.415 1.00 0.00 H new ATOM 0 HA GLU A 103 1.052 -10.976 7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.380 -12.325 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.514 -10.996 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.886 -11.148 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.895 -12.593 6.822 1.00 0.00 H new ATOM 1650 N ILE A 104 0.356 -8.891 6.497 1.00 0.00 N ATOM 1651 CA ILE A 104 -0.131 -7.811 5.619 1.00 0.00 C ATOM 1652 C ILE A 104 -0.892 -8.467 4.450 1.00 0.00 C ATOM 1653 O ILE A 104 -0.627 -9.626 4.100 1.00 0.00 O ATOM 1654 CB ILE A 104 1.066 -6.928 5.054 1.00 0.00 C ATOM 1655 CG1 ILE A 104 2.045 -6.499 6.192 1.00 0.00 C ATOM 1656 CG2 ILE A 104 0.557 -5.687 4.276 1.00 0.00 C ATOM 1657 CD1 ILE A 104 1.433 -5.624 7.262 1.00 0.00 C ATOM 0 H ILE A 104 1.203 -9.343 6.154 1.00 0.00 H new ATOM 0 HA ILE A 104 -0.780 -7.147 6.190 1.00 0.00 H new ATOM 0 HB ILE A 104 1.613 -7.556 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.447 -7.396 6.663 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.886 -5.968 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.408 -5.114 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.053 -6.011 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.042 -5.063 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.189 -5.378 8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.057 -4.706 6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.611 -6.156 7.741 1.00 0.00 H new ATOM 1669 N LEU A 105 -1.843 -7.741 3.872 1.00 0.00 N ATOM 1670 CA LEU A 105 -2.514 -8.140 2.635 1.00 0.00 C ATOM 1671 C LEU A 105 -2.550 -6.919 1.721 1.00 0.00 C ATOM 1672 O LEU A 105 -2.662 -5.778 2.183 1.00 0.00 O ATOM 1673 CB LEU A 105 -3.940 -8.738 2.866 1.00 0.00 C ATOM 1674 CG LEU A 105 -5.073 -7.764 3.343 1.00 0.00 C ATOM 1675 CD1 LEU A 105 -6.450 -8.457 3.338 1.00 0.00 C ATOM 1676 CD2 LEU A 105 -4.773 -7.169 4.735 1.00 0.00 C ATOM 0 H LEU A 105 -2.174 -6.853 4.249 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.953 -8.952 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.265 -9.199 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.853 -9.537 3.603 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.101 -6.941 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.212 -7.754 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.685 -8.792 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.428 -9.316 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.583 -6.500 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.687 -7.975 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.837 -6.611 4.698 1.00 0.00 H new ATOM 1688 N CYS A 106 -2.457 -7.175 0.432 1.00 0.00 N ATOM 1689 CA CYS A 106 -2.225 -6.140 -0.573 1.00 0.00 C ATOM 1690 C CYS A 106 -2.867 -6.537 -1.899 1.00 0.00 C ATOM 1691 O CYS A 106 -3.393 -7.631 -2.033 1.00 0.00 O ATOM 1692 CB CYS A 106 -0.710 -5.899 -0.751 1.00 0.00 C ATOM 1693 SG CYS A 106 0.134 -5.296 0.729 1.00 0.00 S ATOM 0 H CYS A 106 -2.540 -8.114 0.042 1.00 0.00 H new ATOM 0 HA CYS A 106 -2.684 -5.211 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -0.242 -6.831 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.562 -5.180 -1.556 1.00 0.00 H new ATOM 0 HG CYS A 106 0.848 -4.253 0.427 1.00 0.00 H new ATOM 1699 N ARG A 107 -2.870 -5.609 -2.847 1.00 0.00 N ATOM 1700 CA ARG A 107 -3.266 -5.866 -4.241 1.00 0.00 C ATOM 1701 C ARG A 107 -2.695 -4.744 -5.121 1.00 0.00 C ATOM 1702 O ARG A 107 -2.389 -3.675 -4.601 1.00 0.00 O ATOM 1703 CB ARG A 107 -4.820 -5.934 -4.363 1.00 0.00 C ATOM 1704 CG ARG A 107 -5.343 -6.347 -5.757 1.00 0.00 C ATOM 1705 CD ARG A 107 -6.864 -6.529 -5.792 1.00 0.00 C ATOM 1706 NE ARG A 107 -7.326 -6.974 -7.120 1.00 0.00 N ATOM 1707 CZ ARG A 107 -8.470 -7.618 -7.364 1.00 0.00 C ATOM 1708 NH1 ARG A 107 -9.301 -7.944 -6.383 1.00 0.00 N ATOM 1709 NH2 ARG A 107 -8.772 -7.945 -8.608 1.00 0.00 N ATOM 0 H ARG A 107 -2.595 -4.642 -2.676 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.870 -6.826 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.198 -6.641 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.233 -4.958 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.056 -5.590 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.863 -7.278 -6.058 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.161 -7.259 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.350 -5.588 -5.533 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.722 -6.773 -7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.071 -7.703 -5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.170 -8.436 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.135 -7.705 -9.367 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.643 -8.437 -8.809 1.00 0.00 H new ATOM 1723 N GLU A 108 -2.547 -5.009 -6.441 1.00 0.00 N ATOM 1724 CA GLU A 108 -2.027 -4.039 -7.441 1.00 0.00 C ATOM 1725 C GLU A 108 -2.632 -2.626 -7.275 1.00 0.00 C ATOM 1726 O GLU A 108 -3.790 -2.472 -6.854 1.00 0.00 O ATOM 1727 CB GLU A 108 -2.285 -4.560 -8.887 1.00 0.00 C ATOM 1728 CG GLU A 108 -1.341 -5.693 -9.352 1.00 0.00 C ATOM 1729 CD GLU A 108 0.160 -5.299 -9.381 1.00 0.00 C ATOM 1730 OE1 GLU A 108 0.493 -4.163 -9.800 1.00 0.00 O ATOM 1731 OE2 GLU A 108 1.012 -6.144 -9.024 1.00 0.00 O ATOM 0 H GLU A 108 -2.788 -5.913 -6.849 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.955 -3.953 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.313 -4.915 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.193 -3.724 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.467 -6.550 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.640 -6.013 -10.350 1.00 0.00 H new ATOM 1738 N GLY A 109 -1.852 -1.612 -7.681 1.00 0.00 N ATOM 1739 CA GLY A 109 -2.218 -0.206 -7.515 1.00 0.00 C ATOM 1740 C GLY A 109 -3.037 0.329 -8.677 1.00 0.00 C ATOM 1741 O GLY A 109 -2.810 1.444 -9.161 1.00 0.00 O ATOM 0 H GLY A 109 -0.949 -1.750 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.786 -0.089 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.312 0.391 -7.410 1.00 0.00 H new