USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 795 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 91 THR OG1 : rot -73:sc= -1.01 USER MOD Set 2.1: A 28 ASN : amide:sc= -0.634 K(o=-1.3,f=-4.8!) USER MOD Set 2.2: A 31 MET CE :methyl -137:sc= -0.627 (180deg=-2.65!) USER MOD Set 3.1: A 8 TYR OH : rot 58:sc= 1.21 USER MOD Set 3.2: A 10 ASN :FLIP amide:sc= -2.86! C(o=-6.3!,f=-1.6!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.52! C(o=-9.3!,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 55:sc= -1.2! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -78:sc= -1.41! USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0416) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -13.5! C(o=-14!,f=-15!) USER MOD Single : A 48 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.0038) USER MOD Single : A 61 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.3) USER MOD Single : A 62 GLN : amide:sc= -3.33! C(o=-3.3!,f=-6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 113:sc= -0.672! USER MOD Single : A 72 HIS : no HD1:sc= -7.98! C(o=-8!,f=-8.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.033) USER MOD Single : A 87 LYS NZ :NH3+ -111:sc= -0.152 (180deg=-1.63) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -120:sc= 0.202 (180deg=-0.597) USER MOD Single : A 98 TYR OH : rot 170:sc= -1.68 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -16.002 1.424 -5.445 1.00 0.00 N ATOM 122 CA TYR A 8 -14.950 0.518 -5.829 1.00 0.00 C ATOM 123 C TYR A 8 -14.834 -0.546 -4.814 1.00 0.00 C ATOM 124 O TYR A 8 -15.785 -0.845 -4.096 1.00 0.00 O ATOM 125 CB TYR A 8 -13.628 1.278 -5.937 1.00 0.00 C ATOM 126 CG TYR A 8 -13.126 1.824 -4.621 1.00 0.00 C ATOM 127 CD1 TYR A 8 -13.585 3.048 -4.136 1.00 0.00 C ATOM 128 CD2 TYR A 8 -12.200 1.125 -3.856 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.130 3.553 -2.930 1.00 0.00 C ATOM 130 CE2 TYR A 8 -11.745 1.626 -2.655 1.00 0.00 C ATOM 131 CZ TYR A 8 -12.210 2.829 -2.191 1.00 0.00 C ATOM 132 OH TYR A 8 -11.755 3.335 -1.001 1.00 0.00 O ATOM 0 HA TYR A 8 -15.183 0.075 -6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.872 0.614 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.751 2.103 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.306 3.611 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.831 0.173 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.490 4.505 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.021 1.070 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.514 3.496 -0.402 1.00 0.00 H new ATOM 142 N ASP A 9 -13.663 -1.160 -4.758 1.00 0.00 N ATOM 143 CA ASP A 9 -13.424 -2.259 -3.831 1.00 0.00 C ATOM 144 C ASP A 9 -12.828 -1.743 -2.524 1.00 0.00 C ATOM 145 O ASP A 9 -11.663 -1.995 -2.218 1.00 0.00 O ATOM 146 CB ASP A 9 -12.493 -3.295 -4.456 1.00 0.00 C ATOM 147 CG ASP A 9 -12.355 -4.544 -3.610 1.00 0.00 C ATOM 148 OD1 ASP A 9 -12.221 -4.416 -2.376 1.00 0.00 O ATOM 149 OD2 ASP A 9 -12.391 -5.652 -4.184 1.00 0.00 O ATOM 0 H ASP A 9 -12.863 -0.918 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.382 -2.732 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.870 -3.569 -5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.509 -2.851 -4.604 1.00 0.00 H new ATOM 154 N ASN A 10 -13.637 -1.020 -1.759 1.00 0.00 N ATOM 155 CA ASN A 10 -13.197 -0.461 -0.501 1.00 0.00 C ATOM 156 C ASN A 10 -12.740 -1.562 0.381 1.00 0.00 C ATOM 157 O ASN A 10 -13.556 -2.337 0.884 1.00 0.00 O ATOM 158 CB ASN A 10 -14.321 0.271 0.075 1.00 0.00 C ATOM 159 CG ASN A 10 -14.320 1.712 -0.301 1.00 0.00 C ATOM 160 OD1 ASN A 10 -13.769 2.582 0.479 1.00 0.00 O flip ATOM 161 ND2 ASN A 10 -14.803 2.049 -1.363 1.00 0.00 N flip ATOM 0 H ASN A 10 -14.607 -0.810 -1.996 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.360 0.225 -0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.254 -0.186 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.289 0.183 1.161 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.235 1.353 -1.970 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.776 3.028 -1.648 1.00 0.00 H new ATOM 168 N ILE A 11 -11.438 -1.629 0.619 1.00 0.00 N ATOM 169 CA ILE A 11 -10.874 -2.636 1.518 1.00 0.00 C ATOM 170 C ILE A 11 -10.636 -2.035 2.903 1.00 0.00 C ATOM 171 O ILE A 11 -11.247 -1.024 3.258 1.00 0.00 O ATOM 172 CB ILE A 11 -9.569 -3.233 0.928 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.409 -4.694 1.368 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.343 -2.413 1.314 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.911 -5.688 0.345 1.00 0.00 C ATOM 0 H ILE A 11 -10.750 -1.001 0.205 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.590 -3.452 1.622 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.649 -3.198 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.356 -4.892 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.947 -4.845 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.451 -2.866 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.453 -1.396 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.247 -2.391 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.767 -6.701 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.972 -5.516 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.357 -5.564 -0.585 1.00 0.00 H new ATOM 187 N ASN A 12 -9.748 -2.641 3.690 1.00 0.00 N ATOM 188 CA ASN A 12 -9.461 -2.144 5.031 1.00 0.00 C ATOM 189 C ASN A 12 -8.397 -1.048 4.998 1.00 0.00 C ATOM 190 O ASN A 12 -7.484 -1.031 5.832 1.00 0.00 O ATOM 191 CB ASN A 12 -9.000 -3.298 5.930 1.00 0.00 C ATOM 192 CG ASN A 12 -10.163 -4.026 6.578 1.00 0.00 C ATOM 193 OD1 ASN A 12 -11.154 -4.337 5.917 1.00 0.00 O ATOM 194 ND2 ASN A 12 -10.043 -4.301 7.867 1.00 0.00 N ATOM 0 H ASN A 12 -9.219 -3.471 3.423 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.377 -1.714 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.416 -4.004 5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -8.340 -2.909 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.792 -4.792 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.202 -4.022 8.372 1.00 0.00 H new ATOM 201 N LEU A 13 -8.511 -0.132 4.050 1.00 0.00 N ATOM 202 CA LEU A 13 -7.557 0.897 3.928 1.00 0.00 C ATOM 203 C LEU A 13 -7.917 2.030 4.866 1.00 0.00 C ATOM 204 O LEU A 13 -7.893 3.199 4.495 1.00 0.00 O ATOM 205 CB LEU A 13 -7.498 1.396 2.486 1.00 0.00 C ATOM 206 CG LEU A 13 -6.799 0.460 1.506 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.420 0.591 0.120 1.00 0.00 C ATOM 208 CD2 LEU A 13 -5.306 0.742 1.465 1.00 0.00 C ATOM 0 H LEU A 13 -9.266 -0.102 3.364 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.574 0.511 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.516 1.569 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.988 2.359 2.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.934 -0.567 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.913 -0.082 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.477 0.331 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.315 1.618 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.827 0.063 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.139 1.772 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.880 0.594 2.457 1.00 0.00 H new ATOM 220 N ASP A 14 -8.240 1.668 6.101 1.00 0.00 N ATOM 221 CA ASP A 14 -8.589 2.627 7.123 1.00 0.00 C ATOM 222 C ASP A 14 -7.722 2.383 8.348 1.00 0.00 C ATOM 223 O ASP A 14 -7.098 3.300 8.881 1.00 0.00 O ATOM 224 CB ASP A 14 -10.068 2.509 7.492 1.00 0.00 C ATOM 225 CG ASP A 14 -10.682 3.847 7.853 1.00 0.00 C ATOM 226 OD1 ASP A 14 -9.994 4.662 8.497 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.857 4.082 7.486 1.00 0.00 O ATOM 0 H ASP A 14 -8.265 0.698 6.416 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.415 3.634 6.744 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.615 2.075 6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.176 1.824 8.333 1.00 0.00 H new ATOM 232 N GLU A 15 -7.662 1.128 8.755 1.00 0.00 N ATOM 233 CA GLU A 15 -6.862 0.731 9.885 1.00 0.00 C ATOM 234 C GLU A 15 -5.389 0.998 9.598 1.00 0.00 C ATOM 235 O GLU A 15 -4.597 1.226 10.517 1.00 0.00 O ATOM 236 CB GLU A 15 -7.107 -0.675 10.182 1.00 0.00 C ATOM 237 CG GLU A 15 -6.008 -1.331 10.996 1.00 0.00 C ATOM 238 CD GLU A 15 -6.538 -2.171 12.137 1.00 0.00 C ATOM 239 OE1 GLU A 15 -6.773 -1.610 13.231 1.00 0.00 O ATOM 240 OE2 GLU A 15 -6.726 -3.395 11.944 1.00 0.00 O ATOM 0 H GLU A 15 -8.167 0.362 8.309 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.139 1.317 10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.049 -0.763 10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.226 -1.219 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.403 -1.958 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.350 -0.560 11.395 1.00 0.00 H new ATOM 247 N ILE A 16 -5.013 0.977 8.315 1.00 0.00 N ATOM 248 CA ILE A 16 -3.634 1.232 7.940 1.00 0.00 C ATOM 249 C ILE A 16 -3.452 2.643 7.389 1.00 0.00 C ATOM 250 O ILE A 16 -2.381 2.995 6.893 1.00 0.00 O ATOM 251 CB ILE A 16 -3.128 0.222 6.894 1.00 0.00 C ATOM 252 CG1 ILE A 16 -3.486 -1.126 7.319 1.00 0.00 C ATOM 253 CG2 ILE A 16 -1.630 0.371 6.711 1.00 0.00 C ATOM 254 CD1 ILE A 16 -3.158 -2.160 6.270 1.00 0.00 C ATOM 0 H ILE A 16 -5.641 0.788 7.534 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.048 1.123 8.853 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.597 0.415 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.958 -1.367 8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.552 -1.164 7.543 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.281 -0.347 5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.404 1.382 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.127 0.186 7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.442 -3.148 6.632 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.707 -1.937 5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.088 -2.143 6.065 1.00 0.00 H new ATOM 266 N LEU A 17 -4.501 3.457 7.484 1.00 0.00 N ATOM 267 CA LEU A 17 -4.445 4.827 7.005 1.00 0.00 C ATOM 268 C LEU A 17 -5.051 5.783 8.037 1.00 0.00 C ATOM 269 O LEU A 17 -5.239 6.975 7.777 1.00 0.00 O ATOM 270 CB LEU A 17 -5.168 4.940 5.656 1.00 0.00 C ATOM 271 CG LEU A 17 -5.517 6.357 5.203 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.294 7.257 5.251 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.117 6.335 3.807 1.00 0.00 C ATOM 0 H LEU A 17 -5.398 3.187 7.889 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.402 5.110 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.544 4.478 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.089 4.359 5.709 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.260 6.763 5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.567 8.260 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.913 7.299 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.523 6.858 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.360 7.352 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.398 5.907 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.024 5.730 3.810 1.00 0.00 H new ATOM 285 N ALA A 18 -5.373 5.247 9.214 1.00 0.00 N ATOM 286 CA ALA A 18 -5.970 6.045 10.284 1.00 0.00 C ATOM 287 C ALA A 18 -4.943 6.974 10.926 1.00 0.00 C ATOM 288 O ALA A 18 -5.261 8.103 11.293 1.00 0.00 O ATOM 289 CB ALA A 18 -6.593 5.134 11.325 1.00 0.00 C ATOM 0 H ALA A 18 -5.231 4.265 9.450 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.749 6.670 9.848 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.035 5.737 12.118 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.367 4.524 10.859 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.825 4.486 11.747 1.00 0.00 H new ATOM 295 N ASN A 19 -3.709 6.491 11.077 1.00 0.00 N ATOM 296 CA ASN A 19 -2.660 7.300 11.698 1.00 0.00 C ATOM 297 C ASN A 19 -1.274 6.697 11.482 1.00 0.00 C ATOM 298 O ASN A 19 -1.128 5.513 11.173 1.00 0.00 O ATOM 299 CB ASN A 19 -2.936 7.462 13.198 1.00 0.00 C ATOM 300 CG ASN A 19 -3.746 6.315 13.783 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.455 5.098 13.324 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -4.605 6.514 14.632 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.415 5.560 10.783 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.673 8.279 11.219 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.988 7.537 13.730 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.470 8.398 13.364 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.794 7.463 14.954 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.132 5.730 15.018 1.00 0.00 H new ATOM 309 N LYS A 20 -0.269 7.530 11.680 1.00 0.00 N ATOM 310 CA LYS A 20 1.054 7.114 11.519 1.00 0.00 C ATOM 311 C LYS A 20 1.363 5.911 12.401 1.00 0.00 C ATOM 312 O LYS A 20 2.199 5.089 12.062 1.00 0.00 O ATOM 313 CB LYS A 20 2.043 8.249 11.843 1.00 0.00 C ATOM 314 CG LYS A 20 1.416 9.621 12.054 1.00 0.00 C ATOM 315 CD LYS A 20 0.799 9.741 13.437 1.00 0.00 C ATOM 316 CE LYS A 20 1.648 10.613 14.349 1.00 0.00 C ATOM 317 NZ LYS A 20 1.147 10.601 15.748 1.00 0.00 N ATOM 0 H LYS A 20 -0.378 8.506 11.956 1.00 0.00 H new ATOM 0 HA LYS A 20 1.172 6.830 10.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.597 7.979 12.742 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.767 8.320 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.174 10.393 11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.652 9.794 11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.202 10.164 13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.691 8.749 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.680 10.262 14.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.652 11.636 13.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.752 11.207 16.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.171 10.959 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.167 9.628 16.116 1.00 0.00 H new ATOM 331 N ARG A 21 0.689 5.797 13.539 1.00 0.00 N ATOM 332 CA ARG A 21 0.926 4.679 14.442 1.00 0.00 C ATOM 333 C ARG A 21 0.776 3.355 13.694 1.00 0.00 C ATOM 334 O ARG A 21 1.493 2.397 13.966 1.00 0.00 O ATOM 335 CB ARG A 21 -0.009 4.723 15.624 1.00 0.00 C ATOM 336 CG ARG A 21 -1.408 4.917 15.229 1.00 0.00 C ATOM 337 CD ARG A 21 -2.333 4.840 16.432 1.00 0.00 C ATOM 338 NE ARG A 21 -2.680 6.164 16.940 1.00 0.00 N ATOM 339 CZ ARG A 21 -3.536 6.370 17.936 1.00 0.00 C ATOM 340 NH1 ARG A 21 -4.135 5.348 18.521 1.00 0.00 N ATOM 341 NH2 ARG A 21 -3.795 7.610 18.338 1.00 0.00 N ATOM 0 H ARG A 21 -0.020 6.459 13.856 1.00 0.00 H new ATOM 0 HA ARG A 21 1.946 4.760 14.819 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.080 3.794 16.188 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.292 5.531 16.291 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.520 5.886 14.742 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.691 4.158 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.243 4.307 16.156 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.853 4.263 17.222 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.241 6.976 16.506 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.941 4.396 18.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.791 5.511 19.285 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.338 8.400 17.883 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.451 7.772 19.102 1.00 0.00 H new ATOM 355 N LEU A 22 -0.089 3.314 12.734 1.00 0.00 N ATOM 356 CA LEU A 22 -0.309 2.112 11.950 1.00 0.00 C ATOM 357 C LEU A 22 0.433 2.148 10.657 1.00 0.00 C ATOM 358 O LEU A 22 1.157 1.210 10.346 1.00 0.00 O ATOM 359 CB LEU A 22 -1.780 1.944 11.639 1.00 0.00 C ATOM 360 CG LEU A 22 -2.560 1.124 12.682 1.00 0.00 C ATOM 361 CD1 LEU A 22 -3.845 1.846 13.069 1.00 0.00 C ATOM 362 CD2 LEU A 22 -2.869 -0.197 12.144 1.00 0.00 C ATOM 0 H LEU A 22 -0.671 4.106 12.460 1.00 0.00 H new ATOM 0 HA LEU A 22 0.055 1.278 12.550 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.236 2.930 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.881 1.462 10.666 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.943 1.010 13.573 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.386 1.255 13.807 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.601 2.820 13.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.467 1.980 12.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.421 -0.772 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.475 -0.091 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.942 -0.716 11.899 1.00 0.00 H new ATOM 374 N LEU A 23 0.314 3.249 9.913 1.00 0.00 N ATOM 375 CA LEU A 23 1.052 3.402 8.665 1.00 0.00 C ATOM 376 C LEU A 23 2.539 3.166 8.908 1.00 0.00 C ATOM 377 O LEU A 23 3.223 2.515 8.115 1.00 0.00 O ATOM 378 CB LEU A 23 0.839 4.801 8.087 1.00 0.00 C ATOM 379 CG LEU A 23 -0.335 4.976 7.219 1.00 0.00 C ATOM 380 CD1 LEU A 23 -0.589 6.448 6.945 1.00 0.00 C ATOM 381 CD2 LEU A 23 -0.183 4.204 5.917 1.00 0.00 C ATOM 0 H LEU A 23 -0.283 4.041 10.153 1.00 0.00 H new ATOM 0 HA LEU A 23 0.682 2.667 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.760 5.505 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.728 5.076 7.519 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.199 4.571 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.462 6.553 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.768 6.968 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.280 6.881 6.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.068 4.355 5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.698 4.561 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.070 3.142 6.135 1.00 0.00 H new ATOM 393 N VAL A 24 3.022 3.700 10.023 1.00 0.00 N ATOM 394 CA VAL A 24 4.420 3.572 10.399 1.00 0.00 C ATOM 395 C VAL A 24 4.724 2.166 10.892 1.00 0.00 C ATOM 396 O VAL A 24 5.755 1.600 10.563 1.00 0.00 O ATOM 397 CB VAL A 24 4.804 4.596 11.491 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.203 4.331 12.015 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.692 6.016 10.938 1.00 0.00 C ATOM 0 H VAL A 24 2.458 4.230 10.687 1.00 0.00 H new ATOM 0 HA VAL A 24 5.013 3.773 9.507 1.00 0.00 H new ATOM 0 HB VAL A 24 4.111 4.490 12.326 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.449 5.065 12.782 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.248 3.330 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.919 4.408 11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.964 6.731 11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.365 6.129 10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.667 6.202 10.617 1.00 0.00 H new ATOM 409 N ALA A 25 3.820 1.608 11.700 1.00 0.00 N ATOM 410 CA ALA A 25 4.019 0.265 12.225 1.00 0.00 C ATOM 411 C ALA A 25 4.269 -0.648 11.098 1.00 0.00 C ATOM 412 O ALA A 25 5.304 -1.312 11.071 1.00 0.00 O ATOM 413 CB ALA A 25 2.828 -0.104 13.068 1.00 0.00 C ATOM 0 H ALA A 25 2.956 2.061 11.999 1.00 0.00 H new ATOM 0 HA ALA A 25 4.891 0.199 12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.963 -1.109 13.469 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.731 0.605 13.891 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.926 -0.075 12.456 1.00 0.00 H new ATOM 419 N TYR A 26 3.345 -0.715 10.161 1.00 0.00 N ATOM 420 CA TYR A 26 3.491 -1.602 9.019 1.00 0.00 C ATOM 421 C TYR A 26 4.705 -1.177 8.212 1.00 0.00 C ATOM 422 O TYR A 26 5.559 -1.991 7.858 1.00 0.00 O ATOM 423 CB TYR A 26 2.232 -1.579 8.151 1.00 0.00 C ATOM 424 CG TYR A 26 2.126 -2.745 7.184 1.00 0.00 C ATOM 425 CD1 TYR A 26 3.106 -2.967 6.224 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.043 -3.620 7.219 1.00 0.00 C ATOM 427 CE1 TYR A 26 3.017 -4.016 5.334 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.945 -4.666 6.329 1.00 0.00 C ATOM 429 CZ TYR A 26 1.935 -4.863 5.391 1.00 0.00 C ATOM 430 OH TYR A 26 1.841 -5.906 4.496 1.00 0.00 O ATOM 0 H TYR A 26 2.485 -0.167 10.165 1.00 0.00 H new ATOM 0 HA TYR A 26 3.631 -2.624 9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.356 -1.578 8.800 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.211 -0.648 7.585 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.956 -2.303 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.267 -3.476 7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.791 -4.172 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.094 -5.330 6.366 1.00 0.00 H new ATOM 0 HH TYR A 26 2.652 -6.454 4.546 1.00 0.00 H new ATOM 440 N VAL A 27 4.791 0.044 7.933 1.00 0.00 N ATOM 441 CA VAL A 27 5.917 0.583 7.176 1.00 0.00 C ATOM 442 C VAL A 27 7.233 0.270 7.874 1.00 0.00 C ATOM 443 O VAL A 27 8.257 0.097 7.222 1.00 0.00 O ATOM 444 CB VAL A 27 5.783 2.114 6.971 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.123 2.749 6.629 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.761 2.405 5.875 1.00 0.00 C ATOM 0 H VAL A 27 4.097 0.740 8.207 1.00 0.00 H new ATOM 0 HA VAL A 27 5.909 0.105 6.197 1.00 0.00 H new ATOM 0 HB VAL A 27 5.439 2.553 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.993 3.822 6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.828 2.570 7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.509 2.310 5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.672 3.483 5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.087 1.945 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.793 1.995 6.162 1.00 0.00 H new ATOM 456 N ASN A 28 7.204 0.204 9.199 1.00 0.00 N ATOM 457 CA ASN A 28 8.413 -0.067 9.953 1.00 0.00 C ATOM 458 C ASN A 28 8.790 -1.475 9.723 1.00 0.00 C ATOM 459 O ASN A 28 9.935 -1.789 9.395 1.00 0.00 O ATOM 460 CB ASN A 28 8.203 0.163 11.443 1.00 0.00 C ATOM 461 CG ASN A 28 8.545 1.586 11.828 1.00 0.00 C ATOM 462 OD1 ASN A 28 9.053 2.358 11.017 1.00 0.00 O ATOM 463 ND2 ASN A 28 8.269 1.942 13.083 1.00 0.00 N ATOM 0 H ASN A 28 6.365 0.333 9.765 1.00 0.00 H new ATOM 0 HA ASN A 28 9.200 0.610 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.166 -0.048 11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.823 -0.530 12.012 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.480 2.887 13.403 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.847 1.269 13.723 1.00 0.00 H new ATOM 470 N CYS A 29 7.814 -2.348 9.888 1.00 0.00 N ATOM 471 CA CYS A 29 8.010 -3.778 9.698 1.00 0.00 C ATOM 472 C CYS A 29 8.476 -4.082 8.272 1.00 0.00 C ATOM 473 O CYS A 29 9.174 -5.067 8.049 1.00 0.00 O ATOM 474 CB CYS A 29 6.718 -4.519 9.990 1.00 0.00 C ATOM 475 SG CYS A 29 6.539 -5.068 11.723 1.00 0.00 S ATOM 0 H CYS A 29 6.865 -2.090 10.157 1.00 0.00 H new ATOM 0 HA CYS A 29 8.783 -4.113 10.389 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.877 -3.873 9.738 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.657 -5.390 9.337 1.00 0.00 H new ATOM 480 N VAL A 30 8.075 -3.247 7.309 1.00 0.00 N ATOM 481 CA VAL A 30 8.452 -3.462 5.931 1.00 0.00 C ATOM 482 C VAL A 30 9.947 -3.231 5.734 1.00 0.00 C ATOM 483 O VAL A 30 10.588 -3.890 4.923 1.00 0.00 O ATOM 484 CB VAL A 30 7.633 -2.540 5.004 1.00 0.00 C ATOM 485 CG1 VAL A 30 8.436 -1.316 4.607 1.00 0.00 C ATOM 486 CG2 VAL A 30 7.139 -3.301 3.789 1.00 0.00 C ATOM 0 H VAL A 30 7.493 -2.424 7.468 1.00 0.00 H new ATOM 0 HA VAL A 30 8.235 -4.498 5.673 1.00 0.00 H new ATOM 0 HB VAL A 30 6.759 -2.192 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.835 -0.683 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.712 -0.756 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.338 -1.628 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.564 -2.631 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.991 -3.691 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.506 -4.128 4.110 1.00 0.00 H new ATOM 496 N MET A 31 10.481 -2.276 6.493 1.00 0.00 N ATOM 497 CA MET A 31 11.900 -1.951 6.393 1.00 0.00 C ATOM 498 C MET A 31 12.564 -1.831 7.766 1.00 0.00 C ATOM 499 O MET A 31 13.333 -0.897 8.003 1.00 0.00 O ATOM 500 CB MET A 31 12.082 -0.657 5.610 1.00 0.00 C ATOM 501 CG MET A 31 11.245 0.424 6.141 1.00 0.00 C ATOM 502 SD MET A 31 12.215 1.581 7.135 1.00 0.00 S ATOM 503 CE MET A 31 11.000 2.079 8.356 1.00 0.00 C ATOM 0 H MET A 31 9.961 -1.722 7.174 1.00 0.00 H new ATOM 0 HA MET A 31 12.388 -2.772 5.867 1.00 0.00 H new ATOM 0 HB2 MET A 31 13.129 -0.356 5.644 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.833 -0.828 4.563 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.772 0.958 5.317 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.445 0.002 6.749 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.060 3.156 8.510 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.002 1.818 8.004 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.199 1.566 9.297 1.00 0.00 H new ATOM 513 N GLU A 32 12.291 -2.780 8.668 1.00 0.00 N ATOM 514 CA GLU A 32 12.899 -2.746 9.991 1.00 0.00 C ATOM 515 C GLU A 32 13.637 -4.049 10.285 1.00 0.00 C ATOM 516 O GLU A 32 14.840 -4.163 10.033 1.00 0.00 O ATOM 517 CB GLU A 32 11.848 -2.466 11.065 1.00 0.00 C ATOM 518 CG GLU A 32 12.369 -2.586 12.489 1.00 0.00 C ATOM 519 CD GLU A 32 13.618 -1.744 12.720 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.491 -0.514 12.774 1.00 0.00 O ATOM 521 OE2 GLU A 32 14.714 -2.326 12.858 1.00 0.00 O ATOM 0 H GLU A 32 11.663 -3.567 8.505 1.00 0.00 H new ATOM 0 HA GLU A 32 13.626 -1.934 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.452 -1.461 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.017 -3.159 10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.590 -2.276 13.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.593 -3.631 12.705 1.00 0.00 H new ATOM 528 N ARG A 33 12.923 -5.029 10.825 1.00 0.00 N ATOM 529 CA ARG A 33 13.509 -6.312 11.167 1.00 0.00 C ATOM 530 C ARG A 33 13.037 -7.397 10.194 1.00 0.00 C ATOM 531 O ARG A 33 13.084 -8.580 10.519 1.00 0.00 O ATOM 532 CB ARG A 33 13.133 -6.678 12.596 1.00 0.00 C ATOM 533 CG ARG A 33 11.662 -7.036 12.777 1.00 0.00 C ATOM 534 CD ARG A 33 10.955 -6.037 13.674 1.00 0.00 C ATOM 535 NE ARG A 33 9.949 -6.677 14.519 1.00 0.00 N ATOM 536 CZ ARG A 33 10.238 -7.351 15.633 1.00 0.00 C ATOM 537 NH1 ARG A 33 11.496 -7.469 16.040 1.00 0.00 N ATOM 538 NH2 ARG A 33 9.265 -7.906 16.339 1.00 0.00 N ATOM 0 H ARG A 33 11.928 -4.955 11.036 1.00 0.00 H new ATOM 0 HA ARG A 33 14.594 -6.239 11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.744 -7.522 12.917 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.376 -5.841 13.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.171 -7.065 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.579 -8.035 13.206 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.688 -5.532 14.303 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.480 -5.272 13.060 1.00 0.00 H new ATOM 0 HE ARG A 33 8.970 -6.604 14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.249 -7.043 15.500 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.710 -7.986 16.893 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.297 -7.818 16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.484 -8.422 17.191 1.00 0.00 H new ATOM 552 N GLY A 34 12.581 -6.980 9.023 1.00 0.00 N ATOM 553 CA GLY A 34 12.100 -7.937 8.041 1.00 0.00 C ATOM 554 C GLY A 34 10.803 -8.581 8.481 1.00 0.00 C ATOM 555 O GLY A 34 10.302 -8.290 9.565 1.00 0.00 O ATOM 0 H GLY A 34 12.534 -6.003 8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.952 -7.435 7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 34 12.854 -8.708 7.883 1.00 0.00 H new ATOM 559 N LYS A 35 10.261 -9.463 7.639 1.00 0.00 N ATOM 560 CA LYS A 35 9.002 -10.146 7.946 1.00 0.00 C ATOM 561 C LYS A 35 7.985 -9.182 8.551 1.00 0.00 C ATOM 562 O LYS A 35 8.144 -7.968 8.451 1.00 0.00 O ATOM 563 CB LYS A 35 9.245 -11.336 8.891 1.00 0.00 C ATOM 564 CG LYS A 35 9.584 -10.945 10.320 1.00 0.00 C ATOM 565 CD LYS A 35 11.079 -11.065 10.597 1.00 0.00 C ATOM 566 CE LYS A 35 11.590 -12.470 10.308 1.00 0.00 C ATOM 567 NZ LYS A 35 12.123 -13.130 11.538 1.00 0.00 N ATOM 0 H LYS A 35 10.672 -9.721 6.742 1.00 0.00 H new ATOM 0 HA LYS A 35 8.592 -10.525 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.354 -11.964 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.058 -11.942 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.261 -9.920 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.033 -11.582 11.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.622 -10.346 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.279 -10.811 11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.782 -13.073 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.374 -12.423 9.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.461 -14.084 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.911 -12.568 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.368 -13.197 12.251 1.00 0.00 H new ATOM 581 N CYS A 36 6.942 -9.726 9.178 1.00 0.00 N ATOM 582 CA CYS A 36 5.912 -8.903 9.809 1.00 0.00 C ATOM 583 C CYS A 36 5.126 -8.104 8.760 1.00 0.00 C ATOM 584 O CYS A 36 3.917 -8.283 8.613 1.00 0.00 O ATOM 585 CB CYS A 36 6.547 -7.964 10.833 1.00 0.00 C ATOM 586 SG CYS A 36 5.407 -6.750 11.575 1.00 0.00 S ATOM 0 H CYS A 36 6.789 -10.731 9.262 1.00 0.00 H new ATOM 0 HA CYS A 36 5.211 -9.562 10.321 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.985 -8.564 11.631 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.364 -7.426 10.353 1.00 0.00 H new ATOM 591 N SER A 37 5.817 -7.242 8.028 1.00 0.00 N ATOM 592 CA SER A 37 5.189 -6.427 6.991 1.00 0.00 C ATOM 593 C SER A 37 4.682 -7.294 5.839 1.00 0.00 C ATOM 594 O SER A 37 3.483 -7.328 5.574 1.00 0.00 O ATOM 595 CB SER A 37 6.174 -5.393 6.459 1.00 0.00 C ATOM 596 OG SER A 37 5.714 -4.079 6.699 1.00 0.00 O ATOM 0 H SER A 37 6.820 -7.086 8.132 1.00 0.00 H new ATOM 0 HA SER A 37 4.337 -5.916 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.145 -5.534 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.318 -5.541 5.389 1.00 0.00 H new ATOM 0 HG SER A 37 5.029 -3.847 6.038 1.00 0.00 H new ATOM 602 N PRO A 38 5.583 -8.008 5.141 1.00 0.00 N ATOM 603 CA PRO A 38 5.223 -8.867 4.021 1.00 0.00 C ATOM 604 C PRO A 38 3.911 -9.594 4.264 1.00 0.00 C ATOM 605 O PRO A 38 3.138 -9.834 3.333 1.00 0.00 O ATOM 606 CB PRO A 38 6.393 -9.864 3.932 1.00 0.00 C ATOM 607 CG PRO A 38 7.366 -9.456 4.997 1.00 0.00 C ATOM 608 CD PRO A 38 7.030 -8.042 5.371 1.00 0.00 C ATOM 0 HA PRO A 38 5.071 -8.301 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.048 -10.886 4.090 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.858 -9.833 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.290 -10.114 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.391 -9.527 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.285 -7.822 6.408 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.560 -7.318 4.752 1.00 0.00 H new ATOM 616 N GLU A 39 3.651 -9.931 5.526 1.00 0.00 N ATOM 617 CA GLU A 39 2.418 -10.608 5.888 1.00 0.00 C ATOM 618 C GLU A 39 1.211 -9.831 5.373 1.00 0.00 C ATOM 619 O GLU A 39 0.572 -10.242 4.400 1.00 0.00 O ATOM 620 CB GLU A 39 2.328 -10.782 7.407 1.00 0.00 C ATOM 621 CG GLU A 39 2.615 -12.190 7.886 1.00 0.00 C ATOM 622 CD GLU A 39 1.422 -12.822 8.581 1.00 0.00 C ATOM 623 OE1 GLU A 39 1.073 -12.364 9.687 1.00 0.00 O ATOM 624 OE2 GLU A 39 0.848 -13.782 8.026 1.00 0.00 O ATOM 0 H GLU A 39 4.278 -9.745 6.309 1.00 0.00 H new ATOM 0 HA GLU A 39 2.419 -11.595 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.030 -10.098 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.330 -10.494 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.905 -12.807 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.463 -12.172 8.571 1.00 0.00 H new ATOM 631 N GLY A 40 0.913 -8.693 6.014 1.00 0.00 N ATOM 632 CA GLY A 40 -0.150 -7.853 5.600 1.00 0.00 C ATOM 633 C GLY A 40 -1.232 -8.666 4.941 1.00 0.00 C ATOM 634 O GLY A 40 -1.712 -8.312 3.860 1.00 0.00 O ATOM 0 H GLY A 40 1.420 -8.354 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.558 -7.321 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.222 -7.100 4.906 1.00 0.00 H new ATOM 638 N LYS A 41 -1.609 -9.768 5.581 1.00 0.00 N ATOM 639 CA LYS A 41 -2.621 -10.680 5.064 1.00 0.00 C ATOM 640 C LYS A 41 -3.789 -9.942 4.425 1.00 0.00 C ATOM 641 O LYS A 41 -4.357 -10.408 3.446 1.00 0.00 O ATOM 642 CB LYS A 41 -3.131 -11.604 6.170 1.00 0.00 C ATOM 643 CG LYS A 41 -3.417 -13.017 5.698 1.00 0.00 C ATOM 644 CD LYS A 41 -4.893 -13.203 5.364 1.00 0.00 C ATOM 645 CE LYS A 41 -5.264 -14.670 5.293 1.00 0.00 C ATOM 646 NZ LYS A 41 -5.372 -15.284 6.647 1.00 0.00 N ATOM 0 H LYS A 41 -1.218 -10.054 6.478 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.142 -11.277 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.393 -11.640 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.041 -11.181 6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.813 -13.238 4.818 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.125 -13.727 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.503 -12.708 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.115 -12.724 4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.213 -14.779 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.515 -15.206 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.773 -16.240 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.427 -15.341 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.991 -14.700 7.245 1.00 0.00 H new ATOM 660 N GLU A 42 -4.137 -8.798 4.980 1.00 0.00 N ATOM 661 CA GLU A 42 -5.239 -8.013 4.447 1.00 0.00 C ATOM 662 C GLU A 42 -4.870 -7.413 3.098 1.00 0.00 C ATOM 663 O GLU A 42 -5.627 -7.498 2.141 1.00 0.00 O ATOM 664 CB GLU A 42 -5.640 -6.913 5.427 1.00 0.00 C ATOM 665 CG GLU A 42 -7.137 -6.659 5.487 1.00 0.00 C ATOM 666 CD GLU A 42 -7.848 -7.585 6.455 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.341 -8.702 6.690 1.00 0.00 O ATOM 668 OE2 GLU A 42 -8.914 -7.192 6.981 1.00 0.00 O ATOM 0 H GLU A 42 -3.678 -8.391 5.795 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.092 -8.677 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.286 -7.180 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.135 -5.988 5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.315 -5.625 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.563 -6.784 4.491 1.00 0.00 H new ATOM 675 N LEU A 43 -3.690 -6.808 3.044 1.00 0.00 N ATOM 676 CA LEU A 43 -3.214 -6.201 1.801 1.00 0.00 C ATOM 677 C LEU A 43 -2.791 -7.266 0.805 1.00 0.00 C ATOM 678 O LEU A 43 -2.808 -7.031 -0.332 1.00 0.00 O ATOM 679 CB LEU A 43 -2.065 -5.247 2.098 1.00 0.00 C ATOM 680 CG LEU A 43 -2.265 -4.373 3.333 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.240 -4.709 4.404 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.199 -2.896 2.961 1.00 0.00 C ATOM 0 H LEU A 43 -3.050 -6.723 3.834 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.031 -5.636 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.152 -5.828 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.914 -4.601 1.233 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.255 -4.577 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.402 -4.074 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.345 -5.755 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.237 -4.540 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.344 -2.289 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.225 -2.674 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.981 -2.668 2.237 1.00 0.00 H new ATOM 694 N LYS A 44 -2.432 -8.445 1.297 1.00 0.00 N ATOM 695 CA LYS A 44 -2.032 -9.527 0.426 1.00 0.00 C ATOM 696 C LYS A 44 -3.263 -10.304 -0.012 1.00 0.00 C ATOM 697 O LYS A 44 -3.327 -10.798 -1.074 1.00 0.00 O ATOM 698 CB LYS A 44 -1.026 -10.452 1.117 1.00 0.00 C ATOM 699 CG LYS A 44 -1.657 -11.566 1.942 1.00 0.00 C ATOM 700 CD LYS A 44 -1.894 -12.813 1.109 1.00 0.00 C ATOM 701 CE LYS A 44 -3.165 -13.534 1.535 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.747 -14.330 0.419 1.00 0.00 N ATOM 0 H LYS A 44 -2.412 -8.670 2.292 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.540 -9.107 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.382 -10.898 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.387 -9.853 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.008 -11.808 2.784 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.603 -11.220 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.964 -12.541 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.042 -13.486 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.946 -14.192 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.897 -12.806 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.611 -14.807 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.979 -13.698 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.057 -15.042 0.104 1.00 0.00 H new ATOM 716 N GLU A 45 -4.257 -10.368 0.856 1.00 0.00 N ATOM 717 CA GLU A 45 -5.498 -11.034 0.539 1.00 0.00 C ATOM 718 C GLU A 45 -6.257 -10.183 -0.408 1.00 0.00 C ATOM 719 O GLU A 45 -6.934 -10.686 -1.279 1.00 0.00 O ATOM 720 CB GLU A 45 -6.335 -11.250 1.796 1.00 0.00 C ATOM 721 CG GLU A 45 -7.806 -11.505 1.528 1.00 0.00 C ATOM 722 CD GLU A 45 -8.379 -12.615 2.387 1.00 0.00 C ATOM 723 OE1 GLU A 45 -7.995 -13.785 2.174 1.00 0.00 O ATOM 724 OE2 GLU A 45 -9.215 -12.320 3.268 1.00 0.00 O ATOM 0 H GLU A 45 -4.223 -9.962 1.791 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.279 -12.007 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.926 -12.095 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.241 -10.373 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.367 -10.588 1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.940 -11.760 0.477 1.00 0.00 H new ATOM 731 N HIS A 46 -6.102 -8.870 -0.262 1.00 0.00 N ATOM 732 CA HIS A 46 -6.742 -7.912 -1.127 1.00 0.00 C ATOM 733 C HIS A 46 -6.046 -7.874 -2.478 1.00 0.00 C ATOM 734 O HIS A 46 -6.698 -8.058 -3.513 1.00 0.00 O ATOM 735 CB HIS A 46 -6.736 -6.519 -0.514 1.00 0.00 C ATOM 736 CG HIS A 46 -7.480 -5.499 -1.296 1.00 0.00 C ATOM 737 ND1 HIS A 46 -8.541 -5.815 -2.126 1.00 0.00 N ATOM 738 CD2 HIS A 46 -7.325 -4.154 -1.390 1.00 0.00 C ATOM 739 CE1 HIS A 46 -8.996 -4.709 -2.697 1.00 0.00 C ATOM 740 NE2 HIS A 46 -8.278 -3.690 -2.267 1.00 0.00 N ATOM 0 H HIS A 46 -5.524 -8.450 0.466 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.777 -8.227 -1.258 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.164 -6.574 0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.703 -6.190 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.589 -3.558 -0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.817 -4.652 -3.397 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.408 -2.716 -2.540 1.00 0.00 H new ATOM 749 N LEU A 47 -4.723 -7.632 -2.466 1.00 0.00 N ATOM 750 CA LEU A 47 -3.901 -7.564 -3.687 1.00 0.00 C ATOM 751 C LEU A 47 -2.777 -6.553 -3.530 1.00 0.00 C ATOM 752 O LEU A 47 -3.023 -5.349 -3.417 1.00 0.00 O ATOM 753 CB LEU A 47 -4.727 -7.193 -4.933 1.00 0.00 C ATOM 754 CG LEU A 47 -5.151 -5.725 -5.055 1.00 0.00 C ATOM 755 CD1 LEU A 47 -6.068 -5.538 -6.254 1.00 0.00 C ATOM 756 CD2 LEU A 47 -5.841 -5.255 -3.788 1.00 0.00 C ATOM 0 H LEU A 47 -4.193 -7.478 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.489 -8.563 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.148 -7.456 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.625 -7.810 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.254 -5.122 -5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.361 -4.491 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.543 -5.833 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.958 -6.156 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.133 -4.211 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.728 -5.863 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.158 -5.354 -2.944 1.00 0.00 H new ATOM 768 N GLN A 48 -1.539 -7.038 -3.566 1.00 0.00 N ATOM 769 CA GLN A 48 -0.371 -6.159 -3.483 1.00 0.00 C ATOM 770 C GLN A 48 -0.288 -5.368 -4.782 1.00 0.00 C ATOM 771 O GLN A 48 0.630 -5.439 -5.510 1.00 0.00 O ATOM 772 CB GLN A 48 0.824 -6.992 -3.279 1.00 0.00 C ATOM 773 CG GLN A 48 0.643 -8.165 -2.327 1.00 0.00 C ATOM 774 CD GLN A 48 1.930 -8.542 -1.623 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.743 -9.306 -2.148 1.00 0.00 O ATOM 776 NE2 GLN A 48 2.125 -8.009 -0.436 1.00 0.00 N ATOM 0 H GLN A 48 -1.317 -8.030 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.446 -5.460 -2.650 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.148 -7.377 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.628 -6.360 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.114 -7.913 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.270 -9.026 -2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.426 -7.381 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.975 -8.223 0.086 1.00 0.00 H new ATOM 785 N ASP A 49 -1.363 -4.652 -5.080 1.00 0.00 N ATOM 786 CA ASP A 49 -1.470 -3.881 -6.294 1.00 0.00 C ATOM 787 C ASP A 49 -1.625 -4.818 -7.492 1.00 0.00 C ATOM 788 O ASP A 49 -1.143 -4.520 -8.583 1.00 0.00 O ATOM 789 CB ASP A 49 -0.257 -2.975 -6.479 1.00 0.00 C ATOM 790 CG ASP A 49 -0.639 -1.532 -6.737 1.00 0.00 C ATOM 791 OD1 ASP A 49 -1.558 -1.032 -6.062 1.00 0.00 O ATOM 792 OD2 ASP A 49 -0.061 -0.890 -7.624 1.00 0.00 O ATOM 0 H ASP A 49 -2.185 -4.594 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.352 -3.245 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.369 -3.027 -5.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.342 -3.342 -7.312 1.00 0.00 H new ATOM 797 N ALA A 50 -2.284 -5.966 -7.270 1.00 0.00 N ATOM 798 CA ALA A 50 -2.496 -6.959 -8.329 1.00 0.00 C ATOM 799 C ALA A 50 -1.291 -7.882 -8.456 1.00 0.00 C ATOM 800 O ALA A 50 -1.067 -8.486 -9.499 1.00 0.00 O ATOM 801 CB ALA A 50 -2.757 -6.285 -9.651 1.00 0.00 C ATOM 0 H ALA A 50 -2.678 -6.227 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.369 -7.552 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.911 -7.041 -10.421 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.647 -5.661 -9.572 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.902 -5.664 -9.918 1.00 0.00 H new ATOM 807 N ILE A 51 -0.531 -7.959 -7.381 1.00 0.00 N ATOM 808 CA ILE A 51 0.594 -8.780 -7.322 1.00 0.00 C ATOM 809 C ILE A 51 1.553 -8.441 -8.464 1.00 0.00 C ATOM 810 O ILE A 51 1.376 -7.440 -9.151 1.00 0.00 O ATOM 811 CB ILE A 51 0.263 -10.295 -7.342 1.00 0.00 C ATOM 812 CG1 ILE A 51 -0.141 -10.762 -8.713 1.00 0.00 C ATOM 813 CG2 ILE A 51 -0.712 -10.608 -6.282 1.00 0.00 C ATOM 814 CD1 ILE A 51 0.057 -12.235 -8.972 1.00 0.00 C ATOM 0 H ILE A 51 -0.707 -7.432 -6.526 1.00 0.00 H new ATOM 0 HA ILE A 51 1.066 -8.581 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 51 1.164 -10.866 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.193 -10.520 -8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.427 -10.199 -9.454 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.941 -11.674 -6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.292 -10.344 -5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.626 -10.038 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.263 -12.472 -9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.111 -12.486 -8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.534 -12.812 -8.261 1.00 0.00 H new ATOM 940 N GLU A 60 -8.619 -1.057 -11.682 1.00 0.00 N ATOM 941 CA GLU A 60 -9.482 0.080 -11.745 1.00 0.00 C ATOM 942 C GLU A 60 -10.040 0.370 -10.367 1.00 0.00 C ATOM 943 O GLU A 60 -9.462 1.171 -9.646 1.00 0.00 O ATOM 944 CB GLU A 60 -10.617 -0.111 -12.756 1.00 0.00 C ATOM 945 CG GLU A 60 -11.622 0.947 -12.808 1.00 0.00 C ATOM 946 CD GLU A 60 -12.690 0.740 -13.867 1.00 0.00 C ATOM 947 OE1 GLU A 60 -13.481 -0.144 -13.715 1.00 0.00 O ATOM 948 OE2 GLU A 60 -12.733 1.516 -14.830 1.00 0.00 O ATOM 0 HA GLU A 60 -8.893 0.930 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.178 -0.214 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.121 -1.051 -12.531 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.103 1.024 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.123 1.898 -12.993 1.00 0.00 H new ATOM 955 N ASN A 61 -11.141 -0.201 -9.993 1.00 0.00 N ATOM 956 CA ASN A 61 -11.738 0.028 -8.683 1.00 0.00 C ATOM 957 C ASN A 61 -10.659 -0.052 -7.617 1.00 0.00 C ATOM 958 O ASN A 61 -10.460 0.803 -6.835 1.00 0.00 O ATOM 959 CB ASN A 61 -12.852 -0.973 -8.396 1.00 0.00 C ATOM 960 CG ASN A 61 -12.489 -2.380 -8.839 1.00 0.00 C ATOM 961 OD1 ASN A 61 -12.650 -2.739 -10.005 1.00 0.00 O ATOM 962 ND2 ASN A 61 -12.001 -3.191 -7.904 1.00 0.00 N ATOM 0 H ASN A 61 -11.667 -0.847 -10.581 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.185 1.022 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.070 -0.975 -7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.762 -0.657 -8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.745 -4.149 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.883 -2.855 -6.948 1.00 0.00 H new ATOM 969 N GLN A 62 -9.934 -1.165 -7.620 1.00 0.00 N ATOM 970 CA GLN A 62 -8.841 -1.356 -6.672 1.00 0.00 C ATOM 971 C GLN A 62 -7.811 -0.244 -6.853 1.00 0.00 C ATOM 972 O GLN A 62 -7.164 0.127 -5.899 1.00 0.00 O ATOM 973 CB GLN A 62 -8.185 -2.719 -6.870 1.00 0.00 C ATOM 974 CG GLN A 62 -7.959 -3.085 -8.325 1.00 0.00 C ATOM 975 CD GLN A 62 -6.546 -3.568 -8.602 1.00 0.00 C ATOM 976 OE1 GLN A 62 -5.613 -3.219 -7.882 1.00 0.00 O ATOM 977 NE2 GLN A 62 -6.385 -4.376 -9.644 1.00 0.00 N ATOM 0 H GLN A 62 -10.081 -1.943 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.242 -1.318 -5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.227 -2.730 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.809 -3.483 -6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.666 -3.863 -8.612 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.169 -2.217 -8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.189 -4.639 -10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.458 -4.733 -9.874 1.00 0.00 H new ATOM 986 N GLU A 63 -7.686 0.166 -8.098 1.00 0.00 N ATOM 987 CA GLU A 63 -6.760 1.212 -8.410 1.00 0.00 C ATOM 988 C GLU A 63 -7.157 2.479 -7.666 1.00 0.00 C ATOM 989 O GLU A 63 -6.305 3.279 -7.291 1.00 0.00 O ATOM 990 CB GLU A 63 -6.751 1.463 -9.906 1.00 0.00 C ATOM 991 CG GLU A 63 -5.394 1.894 -10.444 1.00 0.00 C ATOM 992 CD GLU A 63 -5.495 3.037 -11.436 1.00 0.00 C ATOM 993 OE1 GLU A 63 -5.923 4.139 -11.037 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.149 2.823 -12.623 1.00 0.00 O ATOM 0 H GLU A 63 -8.208 -0.207 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.758 0.915 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.064 0.554 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.487 2.232 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.757 2.195 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.911 1.043 -10.924 1.00 0.00 H new ATOM 1001 N LYS A 64 -8.458 2.659 -7.454 1.00 0.00 N ATOM 1002 CA LYS A 64 -8.948 3.829 -6.757 1.00 0.00 C ATOM 1003 C LYS A 64 -8.605 3.764 -5.278 1.00 0.00 C ATOM 1004 O LYS A 64 -7.876 4.617 -4.776 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.457 3.979 -6.951 1.00 0.00 C ATOM 1006 CG LYS A 64 -10.879 4.067 -8.405 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.341 3.708 -8.581 1.00 0.00 C ATOM 1008 CE LYS A 64 -13.252 4.815 -8.063 1.00 0.00 C ATOM 1009 NZ LYS A 64 -14.449 5.003 -8.921 1.00 0.00 N ATOM 0 H LYS A 64 -9.184 2.009 -7.756 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.456 4.705 -7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.960 3.131 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.794 4.875 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.704 5.077 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.264 3.396 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.548 3.528 -9.636 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.556 2.780 -8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.569 4.577 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.693 5.749 -8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.039 5.765 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.149 5.256 -9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.998 4.120 -8.950 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.119 2.752 -4.585 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.822 2.621 -3.169 1.00 0.00 C ATOM 1025 C GLY A 65 -7.332 2.584 -2.924 1.00 0.00 C ATOM 1026 O GLY A 65 -6.860 3.016 -1.867 1.00 0.00 O ATOM 0 H GLY A 65 -9.727 2.030 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.262 3.456 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.280 1.711 -2.782 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.588 2.081 -3.898 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.148 2.010 -3.781 1.00 0.00 C ATOM 1032 C ALA A 66 -4.513 3.372 -4.023 1.00 0.00 C ATOM 1033 O ALA A 66 -3.941 3.972 -3.113 1.00 0.00 O ATOM 1034 CB ALA A 66 -4.585 0.980 -4.738 1.00 0.00 C ATOM 0 H ALA A 66 -6.961 1.718 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.907 1.702 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.501 0.942 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.006 0.001 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.843 1.255 -5.761 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.632 3.883 -5.253 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.069 5.187 -5.579 1.00 0.00 C ATOM 1042 C TYR A 67 -4.498 6.214 -4.540 1.00 0.00 C ATOM 1043 O TYR A 67 -3.683 6.999 -4.057 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.488 5.633 -6.982 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.377 6.312 -7.766 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.703 7.405 -7.249 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.021 5.849 -9.028 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.694 8.029 -7.973 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.020 6.465 -9.750 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.358 7.549 -9.221 1.00 0.00 C ATOM 1051 OH TYR A 67 -0.365 8.162 -9.949 1.00 0.00 O ATOM 0 H TYR A 67 -5.107 3.417 -6.026 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.982 5.105 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.836 4.764 -7.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.332 6.317 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.965 7.778 -6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.535 4.997 -9.448 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.177 8.883 -7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.756 6.097 -10.730 1.00 0.00 H new ATOM 0 HH TYR A 67 0.399 7.555 -10.036 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.767 6.167 -4.150 1.00 0.00 N ATOM 1062 CA ARG A 68 -6.268 7.070 -3.128 1.00 0.00 C ATOM 1063 C ARG A 68 -5.403 6.937 -1.882 1.00 0.00 C ATOM 1064 O ARG A 68 -4.991 7.937 -1.279 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.721 6.754 -2.792 1.00 0.00 C ATOM 1066 CG ARG A 68 -8.460 7.900 -2.124 1.00 0.00 C ATOM 1067 CD ARG A 68 -9.651 7.404 -1.317 1.00 0.00 C ATOM 1068 NE ARG A 68 -10.840 7.241 -2.151 1.00 0.00 N ATOM 1069 CZ ARG A 68 -12.061 7.011 -1.669 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -12.250 6.925 -0.371 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -13.092 6.881 -2.492 1.00 0.00 N ATOM 0 H ARG A 68 -6.460 5.518 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.223 8.093 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.245 6.482 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.751 5.884 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.777 8.442 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.802 8.605 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.402 6.452 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.864 8.108 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.729 7.307 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.462 7.034 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.185 6.749 -0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.953 6.957 -3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.024 6.705 -2.118 1.00 0.00 H new ATOM 1085 N VAL A 69 -5.104 5.696 -1.520 1.00 0.00 N ATOM 1086 CA VAL A 69 -4.267 5.432 -0.380 1.00 0.00 C ATOM 1087 C VAL A 69 -2.820 5.783 -0.681 1.00 0.00 C ATOM 1088 O VAL A 69 -2.021 6.039 0.137 1.00 0.00 O ATOM 1089 CB VAL A 69 -4.364 3.966 0.003 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -3.357 3.653 1.096 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -5.774 3.657 0.470 1.00 0.00 C ATOM 0 H VAL A 69 -5.434 4.862 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.612 6.051 0.449 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.138 3.345 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.430 2.600 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.351 3.865 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.566 4.269 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.844 2.605 0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.014 4.275 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.478 3.869 -0.334 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.482 5.813 -1.971 1.00 0.00 N ATOM 1102 CA ILE A 70 -1.132 6.148 -2.375 1.00 0.00 C ATOM 1103 C ILE A 70 -0.923 7.650 -2.261 1.00 0.00 C ATOM 1104 O ILE A 70 0.028 8.104 -1.768 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.804 5.665 -3.807 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.539 5.138 -3.855 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.978 6.785 -4.839 1.00 0.00 C ATOM 1108 CD1 ILE A 70 0.646 3.641 -3.695 1.00 0.00 C ATOM 0 H ILE A 70 -3.122 5.611 -2.739 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.449 5.627 -1.704 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.509 4.874 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.989 5.419 -4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.128 5.615 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.738 6.405 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.010 7.136 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.310 7.611 -4.595 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.693 3.344 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.231 3.348 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.091 3.149 -4.493 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.914 8.409 -2.717 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.846 9.859 -2.652 1.00 0.00 C ATOM 1122 C GLU A 71 -1.918 10.324 -1.207 1.00 0.00 C ATOM 1123 O GLU A 71 -1.302 11.325 -0.838 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.997 10.475 -3.456 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.374 10.106 -2.926 1.00 0.00 C ATOM 1126 CD GLU A 71 -5.478 10.953 -3.528 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -5.772 12.025 -2.964 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -6.045 10.542 -4.563 1.00 0.00 O ATOM 0 H GLU A 71 -2.770 8.043 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.898 10.185 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.893 11.560 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.918 10.152 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.571 9.055 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.384 10.220 -1.842 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.675 9.594 -0.401 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.811 9.940 0.932 1.00 0.00 C ATOM 1137 C HIS A 72 -1.526 9.652 1.682 1.00 0.00 C ATOM 1138 O HIS A 72 -0.984 10.521 2.367 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.978 9.182 1.561 1.00 0.00 C ATOM 1140 CG HIS A 72 -4.313 9.624 2.956 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -5.605 9.743 3.415 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.508 9.979 3.983 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -5.579 10.151 4.669 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.321 10.306 5.039 1.00 0.00 N ATOM 0 H HIS A 72 -3.191 8.762 -0.686 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.019 11.008 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.859 9.304 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.741 8.118 1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.428 10.001 3.974 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.444 10.329 5.291 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.006 10.617 5.958 1.00 0.00 H new ATOM 1153 N LEU A 73 -1.029 8.428 1.549 1.00 0.00 N ATOM 1154 CA LEU A 73 0.132 8.042 2.208 1.00 0.00 C ATOM 1155 C LEU A 73 1.308 8.790 1.600 1.00 0.00 C ATOM 1156 O LEU A 73 2.267 9.139 2.292 1.00 0.00 O ATOM 1157 CB LEU A 73 0.335 6.531 2.110 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.235 5.706 3.222 1.00 0.00 C ATOM 1159 CD1 LEU A 73 -1.694 6.073 3.379 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -0.090 4.222 2.942 1.00 0.00 C ATOM 0 H LEU A 73 -1.449 7.701 0.971 1.00 0.00 H new ATOM 0 HA LEU A 73 0.052 8.290 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.103 6.188 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.405 6.334 2.053 1.00 0.00 H new ATOM 0 HG LEU A 73 0.311 5.912 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.133 5.484 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.779 7.133 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.223 5.866 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.514 3.653 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.617 3.972 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.966 3.974 2.834 1.00 0.00 H new ATOM 1172 N ILE A 74 1.224 9.051 0.285 1.00 0.00 N ATOM 1173 CA ILE A 74 2.281 9.774 -0.324 1.00 0.00 C ATOM 1174 C ILE A 74 2.582 11.081 0.315 1.00 0.00 C ATOM 1175 O ILE A 74 3.737 11.404 0.586 1.00 0.00 O ATOM 1176 CB ILE A 74 1.901 10.051 -1.809 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.688 9.111 -2.741 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.162 11.508 -2.195 1.00 0.00 C ATOM 1179 CD1 ILE A 74 1.825 8.447 -3.801 1.00 0.00 C ATOM 0 H ILE A 74 0.458 8.774 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 74 3.171 9.154 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 74 0.833 9.862 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.480 9.677 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.172 8.340 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.885 11.663 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.568 12.165 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.220 11.736 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.445 7.799 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.049 7.853 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.362 9.212 -4.425 1.00 0.00 H new ATOM 1191 N LYS A 75 1.523 11.823 0.641 1.00 0.00 N ATOM 1192 CA LYS A 75 1.684 13.075 1.356 1.00 0.00 C ATOM 1193 C LYS A 75 1.924 12.819 2.840 1.00 0.00 C ATOM 1194 O LYS A 75 2.551 13.622 3.531 1.00 0.00 O ATOM 1195 CB LYS A 75 0.450 13.964 1.126 1.00 0.00 C ATOM 1196 CG LYS A 75 -0.377 14.113 2.350 1.00 0.00 C ATOM 1197 CD LYS A 75 0.107 15.137 3.327 1.00 0.00 C ATOM 1198 CE LYS A 75 -0.922 15.973 3.946 1.00 0.00 C ATOM 1199 NZ LYS A 75 -1.097 17.278 3.241 1.00 0.00 N ATOM 0 H LYS A 75 0.558 11.577 0.421 1.00 0.00 H new ATOM 0 HA LYS A 75 2.559 13.600 0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.773 14.948 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.159 13.537 0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.394 14.370 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.427 13.148 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.654 14.625 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.818 15.788 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.870 15.435 3.949 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.658 16.158 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.836 17.833 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.201 17.806 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.376 17.105 2.254 1.00 0.00 H new ATOM 1213 N ASN A 76 1.429 11.681 3.324 1.00 0.00 N ATOM 1214 CA ASN A 76 1.602 11.312 4.723 1.00 0.00 C ATOM 1215 C ASN A 76 3.082 11.329 5.084 1.00 0.00 C ATOM 1216 O ASN A 76 3.466 11.856 6.131 1.00 0.00 O ATOM 1217 CB ASN A 76 1.006 9.925 4.991 1.00 0.00 C ATOM 1218 CG ASN A 76 0.848 9.640 6.465 1.00 0.00 C ATOM 1219 OD1 ASN A 76 -0.169 9.794 7.030 1.00 0.00 O ATOM 1220 ND2 ASN A 76 1.919 9.217 7.110 1.00 0.00 N ATOM 0 H ASN A 76 0.907 11.003 2.769 1.00 0.00 H new ATOM 0 HA ASN A 76 1.076 12.037 5.344 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.034 9.850 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.647 9.165 4.544 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.868 9.020 8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.798 9.087 6.609 1.00 0.00 H new ATOM 1227 N GLU A 77 3.902 10.759 4.208 1.00 0.00 N ATOM 1228 CA GLU A 77 5.351 10.720 4.419 1.00 0.00 C ATOM 1229 C GLU A 77 6.042 9.824 3.405 1.00 0.00 C ATOM 1230 O GLU A 77 7.013 9.150 3.725 1.00 0.00 O ATOM 1231 CB GLU A 77 5.674 10.258 5.846 1.00 0.00 C ATOM 1232 CG GLU A 77 6.051 11.387 6.789 1.00 0.00 C ATOM 1233 CD GLU A 77 7.541 11.473 7.035 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.166 10.421 7.292 1.00 0.00 O ATOM 1235 OE2 GLU A 77 8.093 12.586 6.980 1.00 0.00 O ATOM 0 H GLU A 77 3.591 10.316 3.343 1.00 0.00 H new ATOM 0 HA GLU A 77 5.730 11.732 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.809 9.733 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.494 9.541 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.701 12.332 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.538 11.246 7.740 1.00 0.00 H new ATOM 1242 N ILE A 78 5.522 9.840 2.181 1.00 0.00 N ATOM 1243 CA ILE A 78 6.063 9.047 1.076 1.00 0.00 C ATOM 1244 C ILE A 78 6.747 7.772 1.547 1.00 0.00 C ATOM 1245 O ILE A 78 7.747 7.335 0.978 1.00 0.00 O ATOM 1246 CB ILE A 78 7.034 9.859 0.200 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.518 9.005 -0.891 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.208 10.367 1.022 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.246 9.626 -2.240 1.00 0.00 C ATOM 0 H ILE A 78 4.712 10.404 1.925 1.00 0.00 H new ATOM 0 HA ILE A 78 5.199 8.766 0.474 1.00 0.00 H new ATOM 0 HB ILE A 78 6.509 10.723 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.589 8.837 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.034 8.030 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.881 10.938 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.841 11.007 1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.746 9.521 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.617 8.967 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.173 9.770 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.751 10.590 -2.306 1.00 0.00 H new ATOM 1261 N GLU A 79 6.189 7.157 2.574 1.00 0.00 N ATOM 1262 CA GLU A 79 6.737 5.922 3.074 1.00 0.00 C ATOM 1263 C GLU A 79 6.202 4.771 2.239 1.00 0.00 C ATOM 1264 O GLU A 79 6.606 3.618 2.399 1.00 0.00 O ATOM 1265 CB GLU A 79 6.381 5.719 4.551 1.00 0.00 C ATOM 1266 CG GLU A 79 6.451 6.997 5.375 1.00 0.00 C ATOM 1267 CD GLU A 79 6.206 6.753 6.850 1.00 0.00 C ATOM 1268 OE1 GLU A 79 5.128 6.223 7.193 1.00 0.00 O ATOM 1269 OE2 GLU A 79 7.086 7.095 7.665 1.00 0.00 O ATOM 0 H GLU A 79 5.364 7.494 3.070 1.00 0.00 H new ATOM 0 HA GLU A 79 7.824 5.959 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.374 5.306 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.058 4.981 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.431 7.456 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.714 7.707 5.001 1.00 0.00 H new ATOM 1276 N ILE A 80 5.286 5.108 1.335 1.00 0.00 N ATOM 1277 CA ILE A 80 4.680 4.135 0.442 1.00 0.00 C ATOM 1278 C ILE A 80 5.736 3.365 -0.245 1.00 0.00 C ATOM 1279 O ILE A 80 5.882 2.164 -0.083 1.00 0.00 O ATOM 1280 CB ILE A 80 3.753 4.824 -0.491 1.00 0.00 C ATOM 1281 CG1 ILE A 80 2.712 5.675 0.139 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.084 3.796 -1.387 1.00 0.00 C ATOM 1283 CD1 ILE A 80 1.663 6.234 -0.700 1.00 0.00 C ATOM 0 H ILE A 80 4.946 6.061 1.204 1.00 0.00 H new ATOM 0 HA ILE A 80 4.084 3.416 1.004 1.00 0.00 H new ATOM 0 HB ILE A 80 4.382 5.514 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.231 5.085 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.218 6.505 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.403 4.300 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.844 3.261 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.525 3.089 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.985 6.829 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.109 6.867 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.107 5.425 -1.175 1.00 0.00 H new ATOM 1295 N TRP A 81 6.461 4.061 -1.110 1.00 0.00 N ATOM 1296 CA TRP A 81 7.486 3.424 -1.934 1.00 0.00 C ATOM 1297 C TRP A 81 8.350 2.474 -1.119 1.00 0.00 C ATOM 1298 O TRP A 81 8.814 1.461 -1.634 1.00 0.00 O ATOM 1299 CB TRP A 81 8.369 4.479 -2.618 1.00 0.00 C ATOM 1300 CG TRP A 81 7.599 5.590 -3.278 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.093 6.808 -3.664 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.213 5.587 -3.640 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.098 7.558 -4.224 1.00 0.00 N ATOM 1304 CE2 TRP A 81 5.936 6.843 -4.222 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.186 4.659 -3.528 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 4.668 7.179 -4.688 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 3.931 5.003 -3.989 1.00 0.00 C ATOM 1308 CH2 TRP A 81 3.680 6.248 -4.560 1.00 0.00 C ATOM 0 H TRP A 81 6.361 5.065 -1.261 1.00 0.00 H new ATOM 0 HA TRP A 81 6.971 2.842 -2.698 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.043 4.909 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 81 8.990 3.987 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.117 7.128 -3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.207 8.505 -4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.365 3.688 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 4.474 8.143 -5.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.125 4.289 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.684 6.481 -4.908 1.00 0.00 H new ATOM 1319 N ARG A 82 8.548 2.792 0.082 1.00 0.00 N ATOM 1320 CA ARG A 82 9.354 1.927 0.931 1.00 0.00 C ATOM 1321 C ARG A 82 8.635 0.616 1.231 1.00 0.00 C ATOM 1322 O ARG A 82 9.256 -0.364 1.299 1.00 0.00 O ATOM 1323 CB ARG A 82 9.695 2.659 2.233 1.00 0.00 C ATOM 1324 CG ARG A 82 11.186 2.679 2.550 1.00 0.00 C ATOM 1325 CD ARG A 82 11.741 4.097 2.546 1.00 0.00 C ATOM 1326 NE ARG A 82 12.746 4.293 3.587 1.00 0.00 N ATOM 1327 CZ ARG A 82 13.461 5.400 3.716 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.294 6.412 2.884 1.00 0.00 N ATOM 1329 NH2 ARG A 82 14.358 5.496 4.702 1.00 0.00 N ATOM 0 H ARG A 82 8.183 3.631 0.533 1.00 0.00 H new ATOM 0 HA ARG A 82 10.274 1.684 0.400 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.332 3.685 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.163 2.184 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.357 2.223 3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.722 2.076 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.181 4.312 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.926 4.806 2.691 1.00 0.00 H new ATOM 0 HE ARG A 82 12.906 3.536 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.608 6.346 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.851 7.260 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.489 4.719 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.912 6.346 4.807 1.00 0.00 H new ATOM 1343 N GLU A 83 7.323 0.705 1.426 1.00 0.00 N ATOM 1344 CA GLU A 83 6.518 -0.382 1.739 1.00 0.00 C ATOM 1345 C GLU A 83 6.050 -1.105 0.489 1.00 0.00 C ATOM 1346 O GLU A 83 5.833 -2.321 0.507 1.00 0.00 O ATOM 1347 CB GLU A 83 5.308 -0.002 2.565 1.00 0.00 C ATOM 1348 CG GLU A 83 5.079 -0.824 3.787 1.00 0.00 C ATOM 1349 CD GLU A 83 3.726 -0.565 4.436 1.00 0.00 C ATOM 1350 OE1 GLU A 83 2.703 -0.756 3.755 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.708 -0.179 5.623 1.00 0.00 O ATOM 0 H GLU A 83 6.811 1.584 1.359 1.00 0.00 H new ATOM 0 HA GLU A 83 7.145 -1.044 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.408 1.041 2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.423 -0.069 1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.154 -1.880 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.868 -0.617 4.510 1.00 0.00 H new ATOM 1358 N LEU A 84 5.882 -0.364 -0.502 1.00 0.00 N ATOM 1359 CA LEU A 84 5.424 -0.935 -1.750 1.00 0.00 C ATOM 1360 C LEU A 84 6.577 -1.600 -2.478 1.00 0.00 C ATOM 1361 O LEU A 84 6.400 -2.630 -3.132 1.00 0.00 O ATOM 1362 CB LEU A 84 4.764 0.071 -2.614 1.00 0.00 C ATOM 1363 CG LEU A 84 3.376 0.511 -2.140 1.00 0.00 C ATOM 1364 CD1 LEU A 84 2.292 -0.314 -2.690 1.00 0.00 C ATOM 1365 CD2 LEU A 84 3.295 0.542 -0.605 1.00 0.00 C ATOM 0 H LEU A 84 6.043 0.643 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 84 4.675 -1.690 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.406 0.950 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.677 -0.337 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 84 3.235 1.522 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.334 0.048 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.304 -0.253 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.432 -1.351 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.298 0.858 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.497 -0.454 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.033 1.243 -0.216 1.00 0.00 H new ATOM 1377 N THR A 85 7.763 -1.030 -2.324 1.00 0.00 N ATOM 1378 CA THR A 85 8.943 -1.610 -2.945 1.00 0.00 C ATOM 1379 C THR A 85 9.445 -2.759 -2.071 1.00 0.00 C ATOM 1380 O THR A 85 10.100 -3.672 -2.556 1.00 0.00 O ATOM 1381 CB THR A 85 10.039 -0.555 -3.124 1.00 0.00 C ATOM 1382 OG1 THR A 85 10.960 -0.960 -4.126 1.00 0.00 O ATOM 1383 CG2 THR A 85 10.824 -0.266 -1.867 1.00 0.00 C ATOM 0 H THR A 85 7.932 -0.181 -1.784 1.00 0.00 H new ATOM 0 HA THR A 85 8.682 -1.987 -3.934 1.00 0.00 H new ATOM 0 HB THR A 85 9.512 0.356 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.653 -0.275 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.580 0.491 -2.076 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.149 0.099 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.310 -1.179 -1.523 1.00 0.00 H new ATOM 1391 N ALA A 86 9.106 -2.695 -0.785 1.00 0.00 N ATOM 1392 CA ALA A 86 9.500 -3.731 0.084 1.00 0.00 C ATOM 1393 C ALA A 86 8.645 -4.983 -0.076 1.00 0.00 C ATOM 1394 O ALA A 86 9.165 -6.095 -0.123 1.00 0.00 O ATOM 1395 CB ALA A 86 9.370 -3.225 1.505 1.00 0.00 C ATOM 0 H ALA A 86 8.570 -1.941 -0.356 1.00 0.00 H new ATOM 0 HA ALA A 86 10.527 -4.006 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.670 -4.010 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.012 -2.355 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.334 -2.945 1.698 1.00 0.00 H new ATOM 1401 N LYS A 87 7.332 -4.792 -0.181 1.00 0.00 N ATOM 1402 CA LYS A 87 6.419 -5.912 -0.386 1.00 0.00 C ATOM 1403 C LYS A 87 6.862 -6.731 -1.584 1.00 0.00 C ATOM 1404 O LYS A 87 7.208 -7.908 -1.454 1.00 0.00 O ATOM 1405 CB LYS A 87 4.992 -5.410 -0.594 1.00 0.00 C ATOM 1406 CG LYS A 87 4.253 -5.113 0.633 1.00 0.00 C ATOM 1407 CD LYS A 87 3.253 -3.982 0.456 1.00 0.00 C ATOM 1408 CE LYS A 87 1.876 -4.513 0.093 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.170 -3.616 -0.786 1.00 0.00 N ATOM 0 H LYS A 87 6.880 -3.879 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 87 6.438 -6.542 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.026 -4.509 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.439 -6.159 -1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.727 -6.009 0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.958 -4.850 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.190 -3.402 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.601 -3.305 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.977 -5.487 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.294 -4.664 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.369 -3.190 -0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.815 -2.866 -1.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.816 -4.144 -1.609 1.00 0.00 H new ATOM 1423 N TYR A 88 6.851 -6.091 -2.751 1.00 0.00 N ATOM 1424 CA TYR A 88 7.255 -6.715 -4.023 1.00 0.00 C ATOM 1425 C TYR A 88 6.051 -7.263 -4.739 1.00 0.00 C ATOM 1426 O TYR A 88 5.658 -8.413 -4.567 1.00 0.00 O ATOM 1427 CB TYR A 88 8.311 -7.822 -3.842 1.00 0.00 C ATOM 1428 CG TYR A 88 9.449 -7.471 -2.910 1.00 0.00 C ATOM 1429 CD1 TYR A 88 10.196 -6.312 -3.096 1.00 0.00 C ATOM 1430 CD2 TYR A 88 9.791 -8.305 -1.856 1.00 0.00 C ATOM 1431 CE1 TYR A 88 11.249 -6.001 -2.258 1.00 0.00 C ATOM 1432 CE2 TYR A 88 10.843 -7.990 -1.008 1.00 0.00 C ATOM 1433 CZ TYR A 88 11.560 -6.839 -1.210 1.00 0.00 C ATOM 1434 OH TYR A 88 12.609 -6.525 -0.381 1.00 0.00 O ATOM 0 H TYR A 88 6.561 -5.118 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 88 7.718 -5.931 -4.623 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.816 -8.718 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.725 -8.072 -4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.949 -5.645 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.230 -9.213 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 88 11.827 -5.104 -2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.096 -8.650 -0.191 1.00 0.00 H new ATOM 0 HH TYR A 88 12.698 -7.215 0.309 1.00 0.00 H new ATOM 1444 N ASP A 89 5.479 -6.396 -5.550 1.00 0.00 N ATOM 1445 CA ASP A 89 4.291 -6.697 -6.335 1.00 0.00 C ATOM 1446 C ASP A 89 3.644 -5.382 -6.710 1.00 0.00 C ATOM 1447 O ASP A 89 3.299 -5.154 -7.873 1.00 0.00 O ATOM 1448 CB ASP A 89 3.311 -7.576 -5.556 1.00 0.00 C ATOM 1449 CG ASP A 89 3.421 -9.044 -5.931 1.00 0.00 C ATOM 1450 OD1 ASP A 89 4.315 -9.387 -6.728 1.00 0.00 O ATOM 1451 OD2 ASP A 89 2.616 -9.852 -5.408 1.00 0.00 O ATOM 0 H ASP A 89 5.829 -5.448 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 89 4.572 -7.256 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.496 -7.462 -4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.293 -7.232 -5.741 1.00 0.00 H new ATOM 1456 N PRO A 90 3.503 -4.473 -5.726 1.00 0.00 N ATOM 1457 CA PRO A 90 2.935 -3.154 -5.949 1.00 0.00 C ATOM 1458 C PRO A 90 3.906 -2.268 -6.720 1.00 0.00 C ATOM 1459 O PRO A 90 3.495 -1.282 -7.325 1.00 0.00 O ATOM 1460 CB PRO A 90 2.703 -2.601 -4.531 1.00 0.00 C ATOM 1461 CG PRO A 90 2.978 -3.732 -3.603 1.00 0.00 C ATOM 1462 CD PRO A 90 3.918 -4.649 -4.330 1.00 0.00 C ATOM 0 HA PRO A 90 2.021 -3.188 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.364 -1.759 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.681 -2.240 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.423 -3.375 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.057 -4.250 -3.336 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.960 -4.369 -4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.814 -5.683 -4.001 1.00 0.00 H new ATOM 1470 N THR A 91 5.195 -2.619 -6.706 1.00 0.00 N ATOM 1471 CA THR A 91 6.185 -1.841 -7.409 1.00 0.00 C ATOM 1472 C THR A 91 6.727 -2.648 -8.583 1.00 0.00 C ATOM 1473 O THR A 91 5.989 -2.968 -9.513 1.00 0.00 O ATOM 1474 CB THR A 91 7.297 -1.414 -6.454 1.00 0.00 C ATOM 1475 OG1 THR A 91 7.972 -2.537 -5.932 1.00 0.00 O ATOM 1476 CG2 THR A 91 6.797 -0.586 -5.288 1.00 0.00 C ATOM 0 H THR A 91 5.563 -3.434 -6.215 1.00 0.00 H new ATOM 0 HA THR A 91 5.728 -0.933 -7.803 1.00 0.00 H new ATOM 0 HB THR A 91 7.970 -0.799 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.399 -2.988 -5.277 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.636 -0.315 -4.648 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.320 0.319 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.075 -1.166 -4.713 1.00 0.00 H new ATOM 1484 N GLY A 92 8.009 -2.982 -8.534 1.00 0.00 N ATOM 1485 CA GLY A 92 8.630 -3.762 -9.604 1.00 0.00 C ATOM 1486 C GLY A 92 8.484 -3.139 -10.988 1.00 0.00 C ATOM 1487 O GLY A 92 9.201 -3.520 -11.923 1.00 0.00 O ATOM 0 H GLY A 92 8.638 -2.729 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.690 -3.885 -9.382 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.189 -4.759 -9.617 1.00 0.00 H new ATOM 1491 N ASN A 93 7.559 -2.197 -11.136 1.00 0.00 N ATOM 1492 CA ASN A 93 7.289 -1.535 -12.401 1.00 0.00 C ATOM 1493 C ASN A 93 6.080 -0.613 -12.266 1.00 0.00 C ATOM 1494 O ASN A 93 6.013 0.369 -12.886 1.00 0.00 O ATOM 1495 CB ASN A 93 7.027 -2.576 -13.485 1.00 0.00 C ATOM 1496 CG ASN A 93 7.673 -2.226 -14.813 1.00 0.00 C ATOM 1497 OD1 ASN A 93 8.870 -2.413 -14.998 1.00 0.00 O ATOM 1498 ND2 ASN A 93 6.873 -1.705 -15.744 1.00 0.00 N ATOM 0 H ASN A 93 6.970 -1.870 -10.370 1.00 0.00 H new ATOM 0 HA ASN A 93 8.158 -0.939 -12.679 1.00 0.00 H new ATOM 0 HB2 ASN A 93 7.401 -3.543 -13.150 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.951 -2.681 -13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.252 -1.444 -16.654 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.882 -1.567 -15.546 1.00 0.00 H new ATOM 1505 N TRP A 94 5.120 -1.047 -11.450 1.00 0.00 N ATOM 1506 CA TRP A 94 3.887 -0.299 -11.214 1.00 0.00 C ATOM 1507 C TRP A 94 4.141 0.833 -10.323 1.00 0.00 C ATOM 1508 O TRP A 94 3.371 1.804 -10.326 1.00 0.00 O ATOM 1509 CB TRP A 94 2.844 -1.217 -10.572 1.00 0.00 C ATOM 1510 CG TRP A 94 2.914 -2.633 -11.065 1.00 0.00 C ATOM 1511 CD1 TRP A 94 3.469 -3.708 -10.424 1.00 0.00 C ATOM 1512 CD2 TRP A 94 2.432 -3.123 -12.320 1.00 0.00 C ATOM 1513 NE1 TRP A 94 3.363 -4.835 -11.206 1.00 0.00 N ATOM 1514 CE2 TRP A 94 2.724 -4.499 -12.376 1.00 0.00 C ATOM 1515 CE3 TRP A 94 1.774 -2.536 -13.405 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 2.384 -5.292 -13.469 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 1.439 -3.319 -14.485 1.00 0.00 C ATOM 1518 CH2 TRP A 94 1.742 -4.682 -14.517 1.00 0.00 C ATOM 0 H TRP A 94 5.175 -1.926 -10.935 1.00 0.00 H new ATOM 0 HA TRP A 94 3.517 0.073 -12.169 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.980 -1.209 -9.491 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.849 -0.819 -10.771 1.00 0.00 H new ATOM 0 HD1 TRP A 94 3.924 -3.676 -9.445 1.00 0.00 H new ATOM 0 HE1 TRP A 94 3.702 -5.765 -10.959 1.00 0.00 H new ATOM 0 HE3 TRP A 94 1.532 -1.483 -13.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 2.617 -6.346 -13.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.931 -2.870 -15.326 1.00 0.00 H new ATOM 0 HH2 TRP A 94 1.466 -5.266 -15.382 1.00 0.00 H new ATOM 1529 N ARG A 95 5.227 0.783 -9.565 1.00 0.00 N ATOM 1530 CA ARG A 95 5.577 1.885 -8.680 1.00 0.00 C ATOM 1531 C ARG A 95 5.682 3.192 -9.442 1.00 0.00 C ATOM 1532 O ARG A 95 5.317 4.245 -8.937 1.00 0.00 O ATOM 1533 CB ARG A 95 6.901 1.591 -7.962 1.00 0.00 C ATOM 1534 CG ARG A 95 8.101 1.571 -8.895 1.00 0.00 C ATOM 1535 CD ARG A 95 8.762 2.947 -8.977 1.00 0.00 C ATOM 1536 NE ARG A 95 10.216 2.854 -9.059 1.00 0.00 N ATOM 1537 CZ ARG A 95 10.874 2.357 -10.105 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.203 1.909 -11.168 1.00 0.00 N ATOM 1539 NH2 ARG A 95 12.198 2.304 -10.095 1.00 0.00 N ATOM 0 H ARG A 95 5.877 -0.003 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 95 4.782 1.985 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.062 2.344 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.826 0.628 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.826 0.837 -8.543 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.786 1.256 -9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.384 3.479 -9.850 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.486 3.534 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 95 10.762 3.190 -8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.184 1.947 -11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.709 1.529 -11.968 1.00 0.00 H new ATOM 0 HH21 ARG A 95 12.716 2.644 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 95 12.699 1.923 -10.897 1.00 0.00 H new ATOM 1553 N LYS A 96 6.174 3.117 -10.678 1.00 0.00 N ATOM 1554 CA LYS A 96 6.321 4.301 -11.510 1.00 0.00 C ATOM 1555 C LYS A 96 4.992 5.040 -11.643 1.00 0.00 C ATOM 1556 O LYS A 96 4.967 6.257 -11.758 1.00 0.00 O ATOM 1557 CB LYS A 96 6.856 3.923 -12.889 1.00 0.00 C ATOM 1558 CG LYS A 96 7.547 5.072 -13.608 1.00 0.00 C ATOM 1559 CD LYS A 96 8.646 4.574 -14.531 1.00 0.00 C ATOM 1560 CE LYS A 96 8.969 5.587 -15.622 1.00 0.00 C ATOM 1561 NZ LYS A 96 8.279 5.260 -16.901 1.00 0.00 N ATOM 0 H LYS A 96 6.476 2.249 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 96 7.037 4.967 -11.028 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.558 3.096 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.031 3.564 -13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.813 5.634 -14.185 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.970 5.759 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.544 4.368 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.339 3.633 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.672 6.583 -15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.046 5.613 -15.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.523 5.972 -17.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.581 4.320 -17.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.250 5.260 -16.750 1.00 0.00 H new ATOM 1575 N LYS A 97 3.901 4.285 -11.606 1.00 0.00 N ATOM 1576 CA LYS A 97 2.578 4.883 -11.711 1.00 0.00 C ATOM 1577 C LYS A 97 2.294 5.688 -10.453 1.00 0.00 C ATOM 1578 O LYS A 97 2.042 6.900 -10.511 1.00 0.00 O ATOM 1579 CB LYS A 97 1.511 3.801 -11.902 1.00 0.00 C ATOM 1580 CG LYS A 97 0.141 4.204 -11.421 1.00 0.00 C ATOM 1581 CD LYS A 97 -0.881 3.608 -12.298 1.00 0.00 C ATOM 1582 CE LYS A 97 -1.572 4.675 -13.142 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.027 4.389 -13.313 1.00 0.00 N ATOM 0 H LYS A 97 3.906 3.270 -11.505 1.00 0.00 H new ATOM 0 HA LYS A 97 2.550 5.541 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.453 3.544 -12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.821 2.901 -11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.008 3.872 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.048 5.290 -11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.418 2.868 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.621 3.082 -11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.446 5.650 -12.670 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.095 4.730 -14.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.244 4.284 -14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.269 3.509 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.584 5.175 -12.920 1.00 0.00 H new ATOM 1597 N TYR A 98 2.344 5.015 -9.307 1.00 0.00 N ATOM 1598 CA TYR A 98 2.094 5.669 -8.042 1.00 0.00 C ATOM 1599 C TYR A 98 3.183 6.712 -7.745 1.00 0.00 C ATOM 1600 O TYR A 98 2.965 7.641 -6.976 1.00 0.00 O ATOM 1601 CB TYR A 98 2.028 4.659 -6.904 1.00 0.00 C ATOM 1602 CG TYR A 98 0.744 3.856 -6.845 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.396 4.428 -7.166 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.754 2.525 -6.442 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.570 3.702 -7.087 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.333 1.791 -6.358 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.532 2.388 -6.684 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.697 1.667 -6.596 1.00 0.00 O ATOM 0 H TYR A 98 2.555 4.020 -9.236 1.00 0.00 H new ATOM 0 HA TYR A 98 1.130 6.172 -8.117 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.868 3.970 -6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.154 5.188 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.415 5.458 -7.489 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.701 2.073 -6.186 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.512 4.165 -7.341 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.289 0.758 -6.045 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.486 0.721 -6.450 1.00 0.00 H new ATOM 1618 N GLU A 99 4.356 6.538 -8.364 1.00 0.00 N ATOM 1619 CA GLU A 99 5.459 7.470 -8.172 1.00 0.00 C ATOM 1620 C GLU A 99 5.333 8.646 -9.133 1.00 0.00 C ATOM 1621 O GLU A 99 5.706 9.774 -8.807 1.00 0.00 O ATOM 1622 CB GLU A 99 6.802 6.765 -8.370 1.00 0.00 C ATOM 1623 CG GLU A 99 7.875 7.232 -7.415 1.00 0.00 C ATOM 1624 CD GLU A 99 8.910 8.125 -8.077 1.00 0.00 C ATOM 1625 OE1 GLU A 99 8.706 9.351 -8.092 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.913 7.586 -8.589 1.00 0.00 O ATOM 0 H GLU A 99 4.560 5.764 -8.997 1.00 0.00 H new ATOM 0 HA GLU A 99 5.415 7.847 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.661 5.691 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.141 6.928 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.410 7.773 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.374 6.364 -6.985 1.00 0.00 H new ATOM 1633 N ASP A 100 4.784 8.377 -10.317 1.00 0.00 N ATOM 1634 CA ASP A 100 4.596 9.410 -11.319 1.00 0.00 C ATOM 1635 C ASP A 100 3.836 10.582 -10.709 1.00 0.00 C ATOM 1636 O ASP A 100 4.198 11.744 -10.918 1.00 0.00 O ATOM 1637 CB ASP A 100 3.829 8.852 -12.514 1.00 0.00 C ATOM 1638 CG ASP A 100 3.570 9.913 -13.581 1.00 0.00 C ATOM 1639 OD1 ASP A 100 4.541 10.357 -14.224 1.00 0.00 O ATOM 1640 OD2 ASP A 100 2.389 10.286 -13.758 1.00 0.00 O ATOM 0 H ASP A 100 4.464 7.451 -10.600 1.00 0.00 H new ATOM 0 HA ASP A 100 5.571 9.755 -11.663 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.393 8.028 -12.953 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.878 8.442 -12.174 1.00 0.00 H new ATOM 1645 N ARG A 101 2.806 10.277 -9.937 1.00 0.00 N ATOM 1646 CA ARG A 101 2.005 11.296 -9.282 1.00 0.00 C ATOM 1647 C ARG A 101 2.866 12.099 -8.313 1.00 0.00 C ATOM 1648 O ARG A 101 2.882 13.334 -8.342 1.00 0.00 O ATOM 1649 CB ARG A 101 0.845 10.670 -8.528 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.368 11.428 -8.722 1.00 0.00 C ATOM 1651 CD ARG A 101 -1.166 11.518 -7.439 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.843 12.803 -7.300 1.00 0.00 N ATOM 1653 CZ ARG A 101 -1.207 13.962 -7.162 1.00 0.00 C ATOM 1654 NH1 ARG A 101 0.056 14.004 -7.145 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -1.898 15.091 -7.046 1.00 0.00 N ATOM 0 H ARG A 101 2.503 9.321 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 101 1.607 11.959 -10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.696 9.645 -8.869 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.082 10.621 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.122 12.431 -9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.973 10.959 -9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.904 10.716 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.502 11.365 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.863 12.812 -7.309 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.596 13.144 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.535 14.898 -7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.918 15.069 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.409 15.980 -6.940 1.00 0.00 H new ATOM 1669 N ALA A 102 3.605 11.386 -7.464 1.00 0.00 N ATOM 1670 CA ALA A 102 4.483 12.030 -6.500 1.00 0.00 C ATOM 1671 C ALA A 102 5.491 12.934 -7.199 1.00 0.00 C ATOM 1672 O ALA A 102 6.114 13.790 -6.569 1.00 0.00 O ATOM 1673 CB ALA A 102 5.188 10.978 -5.661 1.00 0.00 C ATOM 0 H ALA A 102 3.610 10.367 -7.427 1.00 0.00 H new ATOM 0 HA ALA A 102 3.880 12.656 -5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.844 11.467 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.448 10.380 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.779 10.331 -6.310 1.00 0.00 H new ATOM 1679 N LYS A 103 5.651 12.737 -8.507 1.00 0.00 N ATOM 1680 CA LYS A 103 6.574 13.544 -9.293 1.00 0.00 C ATOM 1681 C LYS A 103 5.952 14.886 -9.633 1.00 0.00 C ATOM 1682 O LYS A 103 6.595 15.926 -9.537 1.00 0.00 O ATOM 1683 CB LYS A 103 6.973 12.803 -10.575 1.00 0.00 C ATOM 1684 CG LYS A 103 8.339 13.201 -11.106 1.00 0.00 C ATOM 1685 CD LYS A 103 8.231 14.277 -12.178 1.00 0.00 C ATOM 1686 CE LYS A 103 9.457 14.298 -13.070 1.00 0.00 C ATOM 1687 NZ LYS A 103 9.453 15.455 -13.992 1.00 0.00 N ATOM 0 H LYS A 103 5.152 12.025 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 103 7.470 13.719 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.966 11.730 -10.382 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.224 12.994 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.957 13.565 -10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.839 12.325 -11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.342 14.101 -12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 103 8.107 15.251 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.354 14.330 -12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.501 13.375 -13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.308 15.431 -14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.610 15.411 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.437 16.337 -13.442 1.00 0.00 H new ATOM 1701 N ALA A 104 4.682 14.853 -10.016 1.00 0.00 N ATOM 1702 CA ALA A 104 3.956 16.069 -10.364 1.00 0.00 C ATOM 1703 C ALA A 104 3.714 16.905 -9.117 1.00 0.00 C ATOM 1704 O ALA A 104 3.730 18.136 -9.164 1.00 0.00 O ATOM 1705 CB ALA A 104 2.636 15.728 -11.045 1.00 0.00 C ATOM 0 H ALA A 104 4.133 13.997 -10.094 1.00 0.00 H new ATOM 0 HA ALA A 104 4.559 16.649 -11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.108 16.648 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.832 15.161 -11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.022 15.131 -10.371 1.00 0.00 H new ATOM 1711 N ALA A 105 3.486 16.230 -7.997 1.00 0.00 N ATOM 1712 CA ALA A 105 3.245 16.904 -6.729 1.00 0.00 C ATOM 1713 C ALA A 105 4.549 17.414 -6.118 1.00 0.00 C ATOM 1714 O ALA A 105 4.607 18.525 -5.607 1.00 0.00 O ATOM 1715 CB ALA A 105 2.534 15.975 -5.758 1.00 0.00 C ATOM 0 H ALA A 105 3.463 15.212 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 105 2.604 17.764 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.362 16.496 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.578 15.668 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.151 15.095 -5.579 1.00 0.00 H new ATOM 1721 N GLY A 106 5.583 16.578 -6.174 1.00 0.00 N ATOM 1722 CA GLY A 106 6.870 16.954 -5.620 1.00 0.00 C ATOM 1723 C GLY A 106 7.374 15.925 -4.629 1.00 0.00 C ATOM 1724 O GLY A 106 8.571 15.646 -4.569 1.00 0.00 O ATOM 0 H GLY A 106 5.551 15.648 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.594 17.068 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.786 17.923 -5.128 1.00 0.00 H new ATOM 1728 N ILE A 107 6.450 15.360 -3.868 1.00 0.00 N ATOM 1729 CA ILE A 107 6.777 14.341 -2.883 1.00 0.00 C ATOM 1730 C ILE A 107 7.450 13.135 -3.529 1.00 0.00 C ATOM 1731 O ILE A 107 6.972 12.609 -4.532 1.00 0.00 O ATOM 1732 CB ILE A 107 5.497 13.886 -2.147 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.795 12.732 -1.187 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.426 13.471 -3.147 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.303 13.194 0.086 1.00 0.00 C ATOM 0 H ILE A 107 5.458 15.593 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 107 7.475 14.780 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 107 5.128 14.730 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.886 12.154 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.522 12.061 -1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.531 13.153 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.182 14.316 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.796 12.646 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.499 12.338 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.228 13.749 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.566 13.843 0.558 1.00 0.00 H new ATOM 1747 N VAL A 108 8.549 12.689 -2.933 1.00 0.00 N ATOM 1748 CA VAL A 108 9.283 11.531 -3.415 1.00 0.00 C ATOM 1749 C VAL A 108 10.100 10.911 -2.294 1.00 0.00 C ATOM 1750 O VAL A 108 10.575 11.611 -1.398 1.00 0.00 O ATOM 1751 CB VAL A 108 10.208 11.862 -4.599 1.00 0.00 C ATOM 1752 CG1 VAL A 108 10.732 10.579 -5.215 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.470 12.692 -5.640 1.00 0.00 C ATOM 0 H VAL A 108 8.954 13.121 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 108 8.536 10.820 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 108 11.051 12.449 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.387 10.819 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.291 10.018 -4.466 1.00 0.00 H new ATOM 0 HG13 VAL A 108 9.895 9.977 -5.569 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.141 12.916 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.611 12.132 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.129 13.623 -5.188 1.00 0.00 H new ATOM 1763 N ILE A 109 10.260 9.592 -2.331 1.00 0.00 N ATOM 1764 CA ILE A 109 11.014 8.885 -1.305 1.00 0.00 C ATOM 1765 C ILE A 109 12.348 9.584 -1.014 1.00 0.00 C ATOM 1766 O ILE A 109 13.257 9.586 -1.843 1.00 0.00 O ATOM 1767 CB ILE A 109 11.262 7.403 -1.690 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.538 6.576 -0.441 1.00 0.00 C ATOM 1769 CG2 ILE A 109 12.393 7.266 -2.698 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.296 6.281 0.294 1.00 0.00 C ATOM 0 H ILE A 109 9.877 8.992 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 109 10.407 8.902 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 109 10.360 7.023 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.027 5.643 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.228 7.115 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 109 12.537 6.214 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.142 7.818 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.312 7.668 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.529 5.690 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 109 9.821 7.215 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.617 5.720 -0.349 1.00 0.00 H new ATOM 1782 N PRO A 110 12.488 10.192 0.118 1.00 0.00 N ATOM 1783 CA PRO A 110 13.707 10.899 0.485 1.00 0.00 C ATOM 1784 C PRO A 110 14.863 9.946 0.781 1.00 0.00 C ATOM 1785 O PRO A 110 15.362 9.887 1.897 1.00 0.00 O ATOM 1786 CB PRO A 110 13.299 11.645 1.756 1.00 0.00 C ATOM 1787 CG PRO A 110 12.176 10.848 2.324 1.00 0.00 C ATOM 1788 CD PRO A 110 11.449 10.250 1.146 1.00 0.00 C ATOM 0 HA PRO A 110 14.067 11.544 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.130 11.713 2.458 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.986 12.665 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 110 12.549 10.068 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 110 11.510 11.478 2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.052 9.261 1.376 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.606 10.868 0.835 1.00 0.00 H new ATOM 1796 N GLU A 111 15.273 9.195 -0.163 1.00 0.00 N ATOM 1797 CA GLU A 111 16.369 8.244 -0.030 1.00 0.00 C ATOM 1798 C GLU A 111 17.719 8.947 -0.127 1.00 0.00 C ATOM 1799 O GLU A 111 18.514 8.656 -1.009 1.00 0.00 O ATOM 1800 CB GLU A 111 16.262 7.153 -1.080 1.00 0.00 C ATOM 1801 CG GLU A 111 15.372 5.994 -0.678 1.00 0.00 C ATOM 1802 CD GLU A 111 16.020 5.080 0.268 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.101 5.468 1.438 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.458 3.973 -0.063 1.00 0.00 O ATOM 0 H GLU A 111 14.858 9.204 -1.095 1.00 0.00 H new ATOM 0 HA GLU A 111 16.296 7.784 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.879 7.588 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.260 6.773 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.457 6.383 -0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.081 5.439 -1.570 1.00 0.00 H new ATOM 1811 N GLU A 112 17.971 9.867 0.732 1.00 0.00 N ATOM 1812 CA GLU A 112 19.216 10.610 0.748 1.00 0.00 C ATOM 1813 C GLU A 112 19.403 11.331 2.079 1.00 0.00 C ATOM 1814 O GLU A 112 18.395 11.550 2.776 1.00 0.00 O ATOM 1815 CB GLU A 112 19.245 11.616 -0.316 1.00 0.00 C ATOM 1816 CG GLU A 112 20.632 11.812 -0.917 1.00 0.00 C ATOM 1817 CD GLU A 112 20.588 12.072 -2.413 1.00 0.00 C ATOM 1818 OE1 GLU A 112 20.427 11.102 -3.180 1.00 0.00 O ATOM 1819 OE2 GLU A 112 20.708 13.251 -2.814 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.565 11.665 2.412 1.00 0.00 O ATOM 0 H GLU A 112 17.317 10.143 1.465 1.00 0.00 H new ATOM 0 HA GLU A 112 20.017 9.886 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.552 11.322 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.890 12.567 0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 112 21.124 12.648 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.237 10.926 -0.723 1.00 0.00 H new