USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 488 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 Single : A 8 SER OG : rot 126:sc= 0.385 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.8) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.273 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 165:sc= 0 (180deg=-0.148) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.845 USER MOD Single : A 38 ASN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0.185 (180deg=0.0301) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.768 USER MOD Single : A 51 MET CE :methyl -166:sc= -0.0194 (180deg=-0.26) USER MOD Single : A 62 GLN : amide:sc= -0.329 K(o=-0.33,f=-3.8!) USER MOD Single : A 64 ASN : amide:sc= 0.0682 K(o=0.068,f=-1) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.53) USER MOD Single : A 71 HIS :FLIP no HE2:sc= -0.326 F(o=-1.2,f=-0.33) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -72:sc= 0.918 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 -0.257 17.183 1.520 1.00 0.00 N ATOM 111 CA SER A 8 -0.880 17.172 0.210 1.00 0.00 C ATOM 112 C SER A 8 -0.402 15.968 -0.599 1.00 0.00 C ATOM 113 O SER A 8 0.351 15.130 -0.097 1.00 0.00 O ATOM 114 CB SER A 8 -0.560 18.469 -0.533 1.00 0.00 C ATOM 115 OG SER A 8 0.842 18.681 -0.612 1.00 0.00 O ATOM 0 HA SER A 8 -1.960 17.095 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.982 18.430 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.030 19.310 -0.022 1.00 0.00 H new ATOM 0 HG SER A 8 1.101 18.810 -1.548 1.00 0.00 H new ATOM 121 N GLU A 9 -0.790 15.931 -1.873 1.00 0.00 N ATOM 122 CA GLU A 9 -0.553 14.791 -2.756 1.00 0.00 C ATOM 123 C GLU A 9 0.928 14.653 -3.113 1.00 0.00 C ATOM 124 O GLU A 9 1.365 13.579 -3.493 1.00 0.00 O ATOM 125 CB GLU A 9 -1.384 14.918 -4.046 1.00 0.00 C ATOM 126 CG GLU A 9 -2.906 14.927 -3.856 1.00 0.00 C ATOM 127 CD GLU A 9 -3.464 16.192 -3.219 1.00 0.00 C ATOM 128 OE1 GLU A 9 -3.167 17.297 -3.710 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.197 16.077 -2.215 1.00 0.00 O ATOM 0 H GLU A 9 -1.283 16.701 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.861 13.896 -2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.094 15.837 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.123 14.092 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.380 14.787 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.186 14.073 -3.239 1.00 0.00 H new ATOM 136 N GLU A 10 1.687 15.751 -2.959 1.00 0.00 N ATOM 137 CA GLU A 10 3.145 15.767 -3.162 1.00 0.00 C ATOM 138 C GLU A 10 3.856 14.872 -2.141 1.00 0.00 C ATOM 139 O GLU A 10 4.803 14.156 -2.475 1.00 0.00 O ATOM 140 CB GLU A 10 3.699 17.199 -3.037 1.00 0.00 C ATOM 141 CG GLU A 10 3.459 18.110 -4.244 1.00 0.00 C ATOM 142 CD GLU A 10 1.998 18.442 -4.490 1.00 0.00 C ATOM 143 OE1 GLU A 10 1.349 18.997 -3.583 1.00 0.00 O ATOM 144 OE2 GLU A 10 1.495 18.140 -5.587 1.00 0.00 O ATOM 0 H GLU A 10 1.304 16.657 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 10 3.334 15.387 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.254 17.666 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.772 17.139 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.012 19.038 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.866 17.631 -5.134 1.00 0.00 H new ATOM 151 N GLU A 11 3.359 14.909 -0.903 1.00 0.00 N ATOM 152 CA GLU A 11 3.893 14.103 0.191 1.00 0.00 C ATOM 153 C GLU A 11 3.458 12.644 0.038 1.00 0.00 C ATOM 154 O GLU A 11 4.217 11.724 0.353 1.00 0.00 O ATOM 155 CB GLU A 11 3.408 14.669 1.531 1.00 0.00 C ATOM 156 CG GLU A 11 4.007 13.984 2.749 1.00 0.00 C ATOM 157 CD GLU A 11 3.544 14.591 4.046 1.00 0.00 C ATOM 158 OE1 GLU A 11 3.786 15.792 4.254 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.966 13.867 4.871 1.00 0.00 O ATOM 0 H GLU A 11 2.573 15.501 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 11 4.982 14.139 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.646 15.732 1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.322 14.584 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.742 12.927 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.094 14.041 2.694 1.00 0.00 H new ATOM 166 N ILE A 12 2.248 12.445 -0.503 1.00 0.00 N ATOM 167 CA ILE A 12 1.680 11.106 -0.671 1.00 0.00 C ATOM 168 C ILE A 12 2.357 10.371 -1.847 1.00 0.00 C ATOM 169 O ILE A 12 2.347 9.145 -1.892 1.00 0.00 O ATOM 170 CB ILE A 12 0.131 11.128 -0.875 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.578 12.125 0.068 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.457 9.738 -0.659 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.380 11.874 1.557 1.00 0.00 C ATOM 0 H ILE A 12 1.644 13.199 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 12 1.876 10.567 0.256 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.039 11.454 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.225 13.130 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.646 12.105 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.537 9.773 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.016 9.042 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.239 9.404 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.919 12.630 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.761 10.885 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.682 11.927 1.797 1.00 0.00 H new ATOM 185 N ARG A 13 2.950 11.130 -2.784 1.00 0.00 N ATOM 186 CA ARG A 13 3.772 10.560 -3.869 1.00 0.00 C ATOM 187 C ARG A 13 4.929 9.743 -3.307 1.00 0.00 C ATOM 188 O ARG A 13 5.057 8.576 -3.626 1.00 0.00 O ATOM 189 CB ARG A 13 4.346 11.656 -4.769 1.00 0.00 C ATOM 190 CG ARG A 13 3.331 12.339 -5.662 1.00 0.00 C ATOM 191 CD ARG A 13 3.956 13.464 -6.473 1.00 0.00 C ATOM 192 NE ARG A 13 4.941 12.972 -7.448 1.00 0.00 N ATOM 193 CZ ARG A 13 6.236 13.310 -7.458 1.00 0.00 C ATOM 194 NH1 ARG A 13 6.739 14.107 -6.517 1.00 0.00 N ATOM 195 NH2 ARG A 13 7.032 12.829 -8.402 1.00 0.00 N ATOM 0 H ARG A 13 2.875 12.147 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 13 3.116 9.916 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.823 12.409 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.126 11.222 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.890 11.606 -6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.521 12.738 -5.052 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.171 14.010 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.439 14.170 -5.798 1.00 0.00 H new ATOM 0 HE ARG A 13 4.614 12.327 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.136 14.467 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.728 14.357 -6.536 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.657 12.205 -9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.020 13.083 -8.415 1.00 0.00 H new ATOM 209 N GLU A 14 5.742 10.387 -2.464 1.00 0.00 N ATOM 210 CA GLU A 14 6.890 9.774 -1.805 1.00 0.00 C ATOM 211 C GLU A 14 6.476 8.718 -0.764 1.00 0.00 C ATOM 212 O GLU A 14 7.204 7.757 -0.551 1.00 0.00 O ATOM 213 CB GLU A 14 7.733 10.878 -1.146 1.00 0.00 C ATOM 214 CG GLU A 14 9.101 10.432 -0.631 1.00 0.00 C ATOM 215 CD GLU A 14 10.039 9.981 -1.739 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.707 10.843 -2.344 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.122 8.766 -2.002 1.00 0.00 O ATOM 0 H GLU A 14 5.614 11.369 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 14 7.477 9.251 -2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.879 11.682 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.168 11.296 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.563 11.255 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.967 9.615 0.078 1.00 0.00 H new ATOM 224 N ALA A 15 5.311 8.892 -0.122 1.00 0.00 N ATOM 225 CA ALA A 15 4.796 7.908 0.842 1.00 0.00 C ATOM 226 C ALA A 15 4.409 6.603 0.142 1.00 0.00 C ATOM 227 O ALA A 15 4.785 5.528 0.590 1.00 0.00 O ATOM 228 CB ALA A 15 3.609 8.479 1.602 1.00 0.00 C ATOM 0 H ALA A 15 4.708 9.704 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 15 5.590 7.685 1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.240 7.738 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.919 9.374 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.816 8.735 0.899 1.00 0.00 H new ATOM 234 N PHE A 16 3.711 6.730 -0.996 1.00 0.00 N ATOM 235 CA PHE A 16 3.356 5.598 -1.864 1.00 0.00 C ATOM 236 C PHE A 16 4.613 4.931 -2.435 1.00 0.00 C ATOM 237 O PHE A 16 4.661 3.720 -2.645 1.00 0.00 O ATOM 238 CB PHE A 16 2.461 6.122 -3.009 1.00 0.00 C ATOM 239 CG PHE A 16 2.110 5.119 -4.072 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.172 4.143 -3.828 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.727 5.158 -5.315 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.852 3.220 -4.794 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.409 4.235 -6.284 1.00 0.00 C ATOM 244 CZ PHE A 16 1.468 3.265 -6.018 1.00 0.00 C ATOM 0 H PHE A 16 3.374 7.628 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 16 2.820 4.848 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.536 6.505 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.964 6.965 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.682 4.102 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.463 5.920 -5.523 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.114 2.458 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.894 4.271 -7.248 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.215 2.538 -6.776 1.00 0.00 H new ATOM 254 N ARG A 17 5.621 5.761 -2.639 1.00 0.00 N ATOM 255 CA ARG A 17 6.873 5.395 -3.273 1.00 0.00 C ATOM 256 C ARG A 17 7.768 4.543 -2.351 1.00 0.00 C ATOM 257 O ARG A 17 8.600 3.774 -2.836 1.00 0.00 O ATOM 258 CB ARG A 17 7.534 6.711 -3.691 1.00 0.00 C ATOM 259 CG ARG A 17 8.789 6.611 -4.500 1.00 0.00 C ATOM 260 CD ARG A 17 9.018 7.872 -5.304 1.00 0.00 C ATOM 261 NE ARG A 17 10.153 7.731 -6.211 1.00 0.00 N ATOM 262 CZ ARG A 17 10.165 8.147 -7.480 1.00 0.00 C ATOM 263 NH1 ARG A 17 9.111 8.769 -8.003 1.00 0.00 N ATOM 264 NH2 ARG A 17 11.234 7.926 -8.228 1.00 0.00 N ATOM 0 H ARG A 17 5.588 6.741 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 17 6.703 4.758 -4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.807 7.289 -4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.756 7.281 -2.789 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.639 6.437 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.726 5.754 -5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.121 8.107 -5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.193 8.709 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 17 10.996 7.284 -5.850 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.281 8.933 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.133 9.082 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.041 7.441 -7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.251 8.240 -9.198 1.00 0.00 H new ATOM 278 N VAL A 18 7.590 4.669 -1.021 1.00 0.00 N ATOM 279 CA VAL A 18 8.268 3.778 -0.052 1.00 0.00 C ATOM 280 C VAL A 18 7.664 2.395 -0.140 1.00 0.00 C ATOM 281 O VAL A 18 8.376 1.391 -0.215 1.00 0.00 O ATOM 282 CB VAL A 18 8.100 4.205 1.433 1.00 0.00 C ATOM 283 CG1 VAL A 18 9.123 3.521 2.335 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.169 5.684 1.608 1.00 0.00 C ATOM 0 H VAL A 18 6.988 5.373 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 18 9.324 3.820 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 18 7.103 3.880 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.974 3.845 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.998 2.440 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.129 3.789 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.046 5.932 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.136 6.047 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.375 6.156 1.030 1.00 0.00 H new ATOM 294 N PHE A 19 6.331 2.380 -0.143 1.00 0.00 N ATOM 295 CA PHE A 19 5.584 1.155 -0.001 1.00 0.00 C ATOM 296 C PHE A 19 5.642 0.295 -1.268 1.00 0.00 C ATOM 297 O PHE A 19 5.691 -0.934 -1.182 1.00 0.00 O ATOM 298 CB PHE A 19 4.130 1.431 0.379 1.00 0.00 C ATOM 299 CG PHE A 19 3.925 1.856 1.805 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.013 0.938 2.831 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.645 3.171 2.119 1.00 0.00 C ATOM 302 CE1 PHE A 19 3.823 1.321 4.142 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.453 3.564 3.428 1.00 0.00 C ATOM 304 CZ PHE A 19 3.545 2.639 4.442 1.00 0.00 C ATOM 0 H PHE A 19 5.754 3.215 -0.244 1.00 0.00 H new ATOM 0 HA PHE A 19 6.056 0.595 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.738 2.208 -0.278 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.543 0.531 0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.234 -0.095 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.575 3.903 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.892 0.590 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.231 4.596 3.656 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.400 2.943 5.468 1.00 0.00 H new ATOM 314 N ASP A 20 5.636 0.949 -2.439 1.00 0.00 N ATOM 315 CA ASP A 20 5.820 0.242 -3.698 1.00 0.00 C ATOM 316 C ASP A 20 7.310 0.030 -3.939 1.00 0.00 C ATOM 317 O ASP A 20 8.053 0.970 -4.230 1.00 0.00 O ATOM 318 CB ASP A 20 5.198 0.982 -4.902 1.00 0.00 C ATOM 319 CG ASP A 20 5.018 0.068 -6.115 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.861 -0.797 -6.362 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.015 0.171 -6.817 1.00 0.00 O ATOM 0 H ASP A 20 5.506 1.956 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 20 5.302 -0.713 -3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.231 1.393 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.833 1.824 -5.176 1.00 0.00 H new ATOM 326 N LYS A 21 7.726 -1.215 -3.803 1.00 0.00 N ATOM 327 CA LYS A 21 9.116 -1.592 -3.992 1.00 0.00 C ATOM 328 C LYS A 21 9.508 -1.705 -5.472 1.00 0.00 C ATOM 329 O LYS A 21 10.633 -1.378 -5.839 1.00 0.00 O ATOM 330 CB LYS A 21 9.410 -2.904 -3.252 1.00 0.00 C ATOM 331 CG LYS A 21 9.185 -2.833 -1.735 1.00 0.00 C ATOM 332 CD LYS A 21 9.955 -1.686 -1.079 1.00 0.00 C ATOM 333 CE LYS A 21 11.465 -1.837 -1.226 1.00 0.00 C ATOM 334 NZ LYS A 21 12.185 -0.597 -0.841 1.00 0.00 N ATOM 0 H LYS A 21 7.112 -1.992 -3.559 1.00 0.00 H new ATOM 0 HA LYS A 21 9.726 -0.792 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.779 -3.691 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.444 -3.192 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.120 -2.712 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.490 -3.776 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.643 -0.741 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.699 -1.639 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.809 -2.664 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.706 -2.091 -2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.209 -0.740 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.875 0.187 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.976 -0.368 0.152 1.00 0.00 H new ATOM 348 N ASP A 22 8.575 -2.149 -6.315 1.00 0.00 N ATOM 349 CA ASP A 22 8.889 -2.497 -7.712 1.00 0.00 C ATOM 350 C ASP A 22 8.576 -1.376 -8.715 1.00 0.00 C ATOM 351 O ASP A 22 9.025 -1.433 -9.862 1.00 0.00 O ATOM 352 CB ASP A 22 8.115 -3.768 -8.112 1.00 0.00 C ATOM 353 CG ASP A 22 6.643 -3.709 -7.738 1.00 0.00 C ATOM 354 OD1 ASP A 22 5.907 -2.921 -8.319 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.220 -4.411 -6.818 1.00 0.00 O ATOM 0 H ASP A 22 7.596 -2.278 -6.061 1.00 0.00 H new ATOM 0 HA ASP A 22 9.966 -2.662 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.205 -3.918 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.572 -4.632 -7.630 1.00 0.00 H new ATOM 360 N GLY A 23 7.860 -0.352 -8.261 1.00 0.00 N ATOM 361 CA GLY A 23 7.494 0.778 -9.107 1.00 0.00 C ATOM 362 C GLY A 23 6.488 0.443 -10.212 1.00 0.00 C ATOM 363 O GLY A 23 6.692 0.840 -11.362 1.00 0.00 O ATOM 0 H GLY A 23 7.519 -0.282 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.077 1.566 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.397 1.181 -9.565 1.00 0.00 H new ATOM 367 N ASN A 24 5.405 -0.280 -9.886 1.00 0.00 N ATOM 368 CA ASN A 24 4.383 -0.611 -10.901 1.00 0.00 C ATOM 369 C ASN A 24 3.103 0.212 -10.723 1.00 0.00 C ATOM 370 O ASN A 24 2.182 0.124 -11.541 1.00 0.00 O ATOM 371 CB ASN A 24 4.047 -2.125 -10.932 1.00 0.00 C ATOM 372 CG ASN A 24 3.190 -2.644 -9.769 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.264 -2.163 -8.634 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.382 -3.650 -10.044 1.00 0.00 N ATOM 0 H ASN A 24 5.213 -0.641 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 24 4.825 -0.347 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.529 -2.344 -11.866 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.982 -2.685 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.798 -4.050 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.341 -4.027 -10.991 1.00 0.00 H new ATOM 381 N GLY A 25 3.050 1.009 -9.657 1.00 0.00 N ATOM 382 CA GLY A 25 1.876 1.818 -9.372 1.00 0.00 C ATOM 383 C GLY A 25 0.834 1.073 -8.555 1.00 0.00 C ATOM 384 O GLY A 25 -0.338 1.441 -8.565 1.00 0.00 O ATOM 0 H GLY A 25 3.807 1.109 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.180 2.715 -8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.429 2.146 -10.311 1.00 0.00 H new ATOM 388 N TYR A 26 1.285 0.048 -7.828 1.00 0.00 N ATOM 389 CA TYR A 26 0.425 -0.808 -7.010 1.00 0.00 C ATOM 390 C TYR A 26 1.168 -1.295 -5.771 1.00 0.00 C ATOM 391 O TYR A 26 2.275 -1.814 -5.881 1.00 0.00 O ATOM 392 CB TYR A 26 -0.010 -2.060 -7.771 1.00 0.00 C ATOM 393 CG TYR A 26 -1.022 -1.864 -8.871 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.266 -1.299 -8.616 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.740 -2.274 -10.164 1.00 0.00 C ATOM 396 CE1 TYR A 26 -3.186 -1.153 -9.622 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.664 -2.128 -11.174 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.888 -1.568 -10.895 1.00 0.00 C ATOM 399 OH TYR A 26 -3.821 -1.417 -11.890 1.00 0.00 O ATOM 0 H TYR A 26 2.270 -0.213 -7.791 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.440 -0.202 -6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.878 -2.522 -8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.421 -2.770 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.510 -0.972 -7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.221 -2.716 -10.383 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.148 -0.710 -9.412 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.429 -2.451 -12.177 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.458 -1.758 -12.734 1.00 0.00 H new ATOM 409 N ILE A 27 0.556 -1.156 -4.610 1.00 0.00 N ATOM 410 CA ILE A 27 1.054 -1.784 -3.398 1.00 0.00 C ATOM 411 C ILE A 27 0.258 -3.060 -3.167 1.00 0.00 C ATOM 412 O ILE A 27 -0.906 -3.004 -2.774 1.00 0.00 O ATOM 413 CB ILE A 27 0.913 -0.878 -2.146 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.470 0.522 -2.413 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.631 -1.507 -0.949 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.024 1.551 -1.396 1.00 0.00 C ATOM 0 H ILE A 27 -0.295 -0.609 -4.479 1.00 0.00 H new ATOM 0 HA ILE A 27 2.117 -1.981 -3.536 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.149 -0.786 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.559 0.477 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.159 0.845 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.523 -0.860 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.193 -2.481 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.689 -1.628 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.455 2.520 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.063 1.625 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.358 1.250 -0.403 1.00 0.00 H new ATOM 428 N SER A 28 0.867 -4.201 -3.443 1.00 0.00 N ATOM 429 CA SER A 28 0.212 -5.480 -3.209 1.00 0.00 C ATOM 430 C SER A 28 0.387 -5.912 -1.751 1.00 0.00 C ATOM 431 O SER A 28 1.075 -5.241 -0.973 1.00 0.00 O ATOM 432 CB SER A 28 0.785 -6.544 -4.154 1.00 0.00 C ATOM 433 OG SER A 28 2.186 -6.679 -3.993 1.00 0.00 O ATOM 0 H SER A 28 1.809 -4.270 -3.827 1.00 0.00 H new ATOM 0 HA SER A 28 -0.854 -5.369 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.301 -7.502 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.560 -6.275 -5.186 1.00 0.00 H new ATOM 0 HG SER A 28 2.521 -7.365 -4.607 1.00 0.00 H new ATOM 439 N ALA A 29 -0.239 -7.036 -1.390 1.00 0.00 N ATOM 440 CA ALA A 29 -0.074 -7.633 -0.068 1.00 0.00 C ATOM 441 C ALA A 29 1.360 -8.130 0.167 1.00 0.00 C ATOM 442 O ALA A 29 1.814 -8.179 1.302 1.00 0.00 O ATOM 443 CB ALA A 29 -1.070 -8.766 0.113 1.00 0.00 C ATOM 0 H ALA A 29 -0.870 -7.552 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.268 -6.859 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.943 -9.208 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.084 -8.378 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.899 -9.526 -0.649 1.00 0.00 H new ATOM 449 N ALA A 30 2.071 -8.472 -0.913 1.00 0.00 N ATOM 450 CA ALA A 30 3.471 -8.889 -0.825 1.00 0.00 C ATOM 451 C ALA A 30 4.386 -7.708 -0.499 1.00 0.00 C ATOM 452 O ALA A 30 5.314 -7.836 0.306 1.00 0.00 O ATOM 453 CB ALA A 30 3.909 -9.546 -2.122 1.00 0.00 C ATOM 0 H ALA A 30 1.696 -8.467 -1.862 1.00 0.00 H new ATOM 0 HA ALA A 30 3.552 -9.612 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.952 -9.851 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.289 -10.422 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.800 -8.838 -2.943 1.00 0.00 H new ATOM 459 N GLU A 31 4.090 -6.559 -1.107 1.00 0.00 N ATOM 460 CA GLU A 31 4.888 -5.347 -0.936 1.00 0.00 C ATOM 461 C GLU A 31 4.675 -4.727 0.436 1.00 0.00 C ATOM 462 O GLU A 31 5.643 -4.368 1.108 1.00 0.00 O ATOM 463 CB GLU A 31 4.538 -4.332 -2.015 1.00 0.00 C ATOM 464 CG GLU A 31 4.847 -4.816 -3.410 1.00 0.00 C ATOM 465 CD GLU A 31 4.390 -3.854 -4.463 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.865 -2.719 -4.478 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.581 -4.236 -5.331 1.00 0.00 O ATOM 0 H GLU A 31 3.291 -6.443 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 31 5.938 -5.628 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.477 -4.091 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.087 -3.409 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.921 -4.973 -3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.367 -5.781 -3.571 1.00 0.00 H new ATOM 474 N LEU A 32 3.408 -4.648 0.854 1.00 0.00 N ATOM 475 CA LEU A 32 3.045 -4.055 2.137 1.00 0.00 C ATOM 476 C LEU A 32 3.542 -4.914 3.303 1.00 0.00 C ATOM 477 O LEU A 32 3.973 -4.373 4.314 1.00 0.00 O ATOM 478 CB LEU A 32 1.526 -3.851 2.218 1.00 0.00 C ATOM 479 CG LEU A 32 1.027 -3.070 3.444 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.502 -1.627 3.401 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.482 -3.120 3.528 1.00 0.00 C ATOM 0 H LEU A 32 2.613 -4.991 0.315 1.00 0.00 H new ATOM 0 HA LEU A 32 3.530 -3.082 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.199 -3.329 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.045 -4.829 2.212 1.00 0.00 H new ATOM 0 HG LEU A 32 1.444 -3.542 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.135 -1.097 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.592 -1.603 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.120 -1.145 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.816 -2.562 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.911 -2.678 2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.808 -4.157 3.613 1.00 0.00 H new ATOM 493 N ARG A 33 3.535 -6.250 3.128 1.00 0.00 N ATOM 494 CA ARG A 33 4.038 -7.174 4.155 1.00 0.00 C ATOM 495 C ARG A 33 5.540 -6.994 4.363 1.00 0.00 C ATOM 496 O ARG A 33 6.021 -7.010 5.497 1.00 0.00 O ATOM 497 CB ARG A 33 3.736 -8.630 3.778 1.00 0.00 C ATOM 498 CG ARG A 33 4.033 -9.614 4.893 1.00 0.00 C ATOM 499 CD ARG A 33 3.685 -11.040 4.519 1.00 0.00 C ATOM 500 NE ARG A 33 3.987 -11.959 5.615 1.00 0.00 N ATOM 501 CZ ARG A 33 3.574 -13.224 5.693 1.00 0.00 C ATOM 502 NH1 ARG A 33 2.823 -13.760 4.734 1.00 0.00 N ATOM 503 NH2 ARG A 33 3.926 -13.955 6.740 1.00 0.00 N ATOM 0 H ARG A 33 3.187 -6.709 2.286 1.00 0.00 H new ATOM 0 HA ARG A 33 3.525 -6.940 5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.686 -8.715 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.323 -8.899 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.091 -9.558 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.473 -9.329 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.627 -11.105 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.244 -11.333 3.630 1.00 0.00 H new ATOM 0 HE ARG A 33 4.559 -11.604 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.555 -13.201 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.515 -14.730 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.506 -13.549 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.617 -14.924 6.812 1.00 0.00 H new ATOM 517 N HIS A 34 6.259 -6.786 3.254 1.00 0.00 N ATOM 518 CA HIS A 34 7.700 -6.562 3.281 1.00 0.00 C ATOM 519 C HIS A 34 8.049 -5.274 4.037 1.00 0.00 C ATOM 520 O HIS A 34 8.912 -5.305 4.904 1.00 0.00 O ATOM 521 CB HIS A 34 8.259 -6.525 1.846 1.00 0.00 C ATOM 522 CG HIS A 34 9.753 -6.361 1.756 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.638 -7.396 1.953 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.511 -5.267 1.506 1.00 0.00 C ATOM 525 CE1 HIS A 34 11.871 -6.953 1.823 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.821 -5.665 1.552 1.00 0.00 N ATOM 0 H HIS A 34 5.855 -6.769 2.317 1.00 0.00 H new ATOM 0 HA HIS A 34 8.164 -7.391 3.815 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.977 -7.447 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.784 -5.705 1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.151 -4.268 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.769 -7.544 1.922 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.629 -5.061 1.401 1.00 0.00 H new ATOM 535 N VAL A 35 7.356 -4.175 3.718 1.00 0.00 N ATOM 536 CA VAL A 35 7.642 -2.865 4.316 1.00 0.00 C ATOM 537 C VAL A 35 7.334 -2.861 5.824 1.00 0.00 C ATOM 538 O VAL A 35 8.143 -2.373 6.601 1.00 0.00 O ATOM 539 CB VAL A 35 6.879 -1.714 3.590 1.00 0.00 C ATOM 540 CG1 VAL A 35 7.209 -0.352 4.188 1.00 0.00 C ATOM 541 CG2 VAL A 35 7.208 -1.699 2.105 1.00 0.00 C ATOM 0 H VAL A 35 6.589 -4.167 3.046 1.00 0.00 H new ATOM 0 HA VAL A 35 8.709 -2.682 4.187 1.00 0.00 H new ATOM 0 HB VAL A 35 5.815 -1.906 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.658 0.423 3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.927 -0.339 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.279 -0.164 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.664 -0.888 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.279 -1.549 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.916 -2.649 1.658 1.00 0.00 H new ATOM 551 N MET A 36 6.203 -3.472 6.220 1.00 0.00 N ATOM 552 CA MET A 36 5.810 -3.595 7.643 1.00 0.00 C ATOM 553 C MET A 36 6.876 -4.306 8.478 1.00 0.00 C ATOM 554 O MET A 36 7.275 -3.821 9.533 1.00 0.00 O ATOM 555 CB MET A 36 4.501 -4.373 7.776 1.00 0.00 C ATOM 556 CG MET A 36 3.274 -3.622 7.295 1.00 0.00 C ATOM 557 SD MET A 36 2.841 -2.228 8.347 1.00 0.00 S ATOM 558 CE MET A 36 1.494 -1.512 7.412 1.00 0.00 C ATOM 0 H MET A 36 5.538 -3.893 5.571 1.00 0.00 H new ATOM 0 HA MET A 36 5.689 -2.578 8.017 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.586 -5.303 7.214 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.359 -4.645 8.822 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.450 -3.263 6.281 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.430 -4.310 7.248 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.945 -0.812 8.042 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.893 -0.984 6.545 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.822 -2.303 7.078 1.00 0.00 H new ATOM 568 N THR A 37 7.351 -5.442 7.969 1.00 0.00 N ATOM 569 CA THR A 37 8.333 -6.270 8.665 1.00 0.00 C ATOM 570 C THR A 37 9.730 -5.607 8.677 1.00 0.00 C ATOM 571 O THR A 37 10.486 -5.753 9.642 1.00 0.00 O ATOM 572 CB THR A 37 8.377 -7.674 8.008 1.00 0.00 C ATOM 573 OG1 THR A 37 7.039 -8.184 7.903 1.00 0.00 O ATOM 574 CG2 THR A 37 9.205 -8.668 8.807 1.00 0.00 C ATOM 0 H THR A 37 7.066 -5.813 7.063 1.00 0.00 H new ATOM 0 HA THR A 37 8.030 -6.375 9.707 1.00 0.00 H new ATOM 0 HB THR A 37 8.842 -7.558 7.029 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.614 -7.824 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.202 -9.634 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.230 -8.305 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.778 -8.779 9.804 1.00 0.00 H new ATOM 582 N ASN A 38 10.031 -4.830 7.628 1.00 0.00 N ATOM 583 CA ASN A 38 11.308 -4.102 7.507 1.00 0.00 C ATOM 584 C ASN A 38 11.371 -2.889 8.438 1.00 0.00 C ATOM 585 O ASN A 38 12.452 -2.506 8.887 1.00 0.00 O ATOM 586 CB ASN A 38 11.539 -3.635 6.060 1.00 0.00 C ATOM 587 CG ASN A 38 12.203 -4.670 5.159 1.00 0.00 C ATOM 588 OD1 ASN A 38 12.889 -4.312 4.204 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.019 -5.952 5.446 1.00 0.00 N ATOM 0 H ASN A 38 9.400 -4.686 6.840 1.00 0.00 H new ATOM 0 HA ASN A 38 12.091 -4.802 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.580 -3.355 5.625 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.156 -2.737 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.452 -6.671 4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.444 -6.218 6.245 1.00 0.00 H new ATOM 596 N LEU A 39 10.212 -2.296 8.737 1.00 0.00 N ATOM 597 CA LEU A 39 10.143 -1.124 9.615 1.00 0.00 C ATOM 598 C LEU A 39 10.044 -1.527 11.094 1.00 0.00 C ATOM 599 O LEU A 39 10.009 -0.665 11.977 1.00 0.00 O ATOM 600 CB LEU A 39 8.956 -0.221 9.234 1.00 0.00 C ATOM 601 CG LEU A 39 8.976 0.365 7.813 1.00 0.00 C ATOM 602 CD1 LEU A 39 7.754 1.229 7.585 1.00 0.00 C ATOM 603 CD2 LEU A 39 10.239 1.171 7.548 1.00 0.00 C ATOM 0 H LEU A 39 9.308 -2.608 8.384 1.00 0.00 H new ATOM 0 HA LEU A 39 11.069 -0.566 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.037 -0.795 9.355 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.912 0.605 9.944 1.00 0.00 H new ATOM 0 HG LEU A 39 8.965 -0.472 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.781 1.638 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.854 0.627 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.746 2.046 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.212 1.567 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.300 1.996 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.112 0.528 7.664 1.00 0.00 H new ATOM 615 N GLY A 40 9.991 -2.838 11.358 1.00 0.00 N ATOM 616 CA GLY A 40 10.012 -3.335 12.725 1.00 0.00 C ATOM 617 C GLY A 40 8.630 -3.612 13.293 1.00 0.00 C ATOM 618 O GLY A 40 8.504 -4.059 14.432 1.00 0.00 O ATOM 0 H GLY A 40 9.934 -3.564 10.644 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.601 -4.252 12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.517 -2.607 13.360 1.00 0.00 H new ATOM 622 N GLU A 41 7.605 -3.364 12.486 1.00 0.00 N ATOM 623 CA GLU A 41 6.214 -3.532 12.907 1.00 0.00 C ATOM 624 C GLU A 41 5.798 -5.001 12.827 1.00 0.00 C ATOM 625 O GLU A 41 5.178 -5.523 13.755 1.00 0.00 O ATOM 626 CB GLU A 41 5.299 -2.675 12.021 1.00 0.00 C ATOM 627 CG GLU A 41 5.721 -1.210 11.961 1.00 0.00 C ATOM 628 CD GLU A 41 4.898 -0.387 10.995 1.00 0.00 C ATOM 629 OE1 GLU A 41 3.789 0.042 11.370 1.00 0.00 O ATOM 630 OE2 GLU A 41 5.364 -0.148 9.866 1.00 0.00 O ATOM 0 H GLU A 41 7.711 -3.042 11.524 1.00 0.00 H new ATOM 0 HA GLU A 41 6.121 -3.207 13.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.293 -3.086 11.012 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.278 -2.737 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.640 -0.775 12.957 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.771 -1.153 11.672 1.00 0.00 H new ATOM 637 N LYS A 42 6.185 -5.638 11.706 1.00 0.00 N ATOM 638 CA LYS A 42 5.935 -7.064 11.408 1.00 0.00 C ATOM 639 C LYS A 42 4.445 -7.394 11.334 1.00 0.00 C ATOM 640 O LYS A 42 3.827 -7.798 12.321 1.00 0.00 O ATOM 641 CB LYS A 42 6.619 -8.002 12.416 1.00 0.00 C ATOM 642 CG LYS A 42 8.131 -7.868 12.480 1.00 0.00 C ATOM 643 CD LYS A 42 8.717 -8.739 13.584 1.00 0.00 C ATOM 644 CE LYS A 42 8.300 -8.266 14.976 1.00 0.00 C ATOM 645 NZ LYS A 42 8.841 -6.917 15.294 1.00 0.00 N ATOM 0 H LYS A 42 6.695 -5.163 10.961 1.00 0.00 H new ATOM 0 HA LYS A 42 6.374 -7.233 10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.208 -7.810 13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.369 -9.032 12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.564 -8.152 11.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.399 -6.826 12.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.394 -9.770 13.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.805 -8.733 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.212 -8.244 15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.649 -8.981 15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.680 -6.707 16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.862 -6.896 15.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.360 -6.204 14.710 1.00 0.00 H new ATOM 659 N LEU A 43 3.862 -7.199 10.165 1.00 0.00 N ATOM 660 CA LEU A 43 2.476 -7.579 9.950 1.00 0.00 C ATOM 661 C LEU A 43 2.410 -8.887 9.193 1.00 0.00 C ATOM 662 O LEU A 43 3.152 -9.099 8.231 1.00 0.00 O ATOM 663 CB LEU A 43 1.694 -6.494 9.202 1.00 0.00 C ATOM 664 CG LEU A 43 0.798 -5.605 10.073 1.00 0.00 C ATOM 665 CD1 LEU A 43 1.619 -4.786 11.054 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.058 -4.697 9.203 1.00 0.00 C ATOM 0 H LEU A 43 4.322 -6.783 9.355 1.00 0.00 H new ATOM 0 HA LEU A 43 2.011 -7.701 10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.404 -5.857 8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.074 -6.974 8.445 1.00 0.00 H new ATOM 0 HG LEU A 43 0.141 -6.255 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.954 -4.167 11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.181 -5.455 11.705 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.311 -4.148 10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.688 -4.073 9.837 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.587 -4.062 8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.687 -5.304 8.552 1.00 0.00 H new ATOM 678 N THR A 44 1.530 -9.761 9.652 1.00 0.00 N ATOM 679 CA THR A 44 1.328 -11.065 9.027 1.00 0.00 C ATOM 680 C THR A 44 0.394 -10.943 7.818 1.00 0.00 C ATOM 681 O THR A 44 -0.121 -9.862 7.550 1.00 0.00 O ATOM 682 CB THR A 44 0.753 -12.086 10.037 1.00 0.00 C ATOM 683 OG1 THR A 44 -0.513 -11.637 10.536 1.00 0.00 O ATOM 684 CG2 THR A 44 1.710 -12.300 11.203 1.00 0.00 C ATOM 0 H THR A 44 0.936 -9.592 10.464 1.00 0.00 H new ATOM 0 HA THR A 44 2.300 -11.426 8.690 1.00 0.00 H new ATOM 0 HB THR A 44 0.621 -13.033 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.375 -10.887 11.152 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.281 -13.022 11.898 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.661 -12.678 10.828 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.873 -11.353 11.718 1.00 0.00 H new ATOM 692 N ASP A 45 0.155 -12.063 7.128 1.00 0.00 N ATOM 693 CA ASP A 45 -0.602 -12.087 5.861 1.00 0.00 C ATOM 694 C ASP A 45 -2.030 -11.535 6.017 1.00 0.00 C ATOM 695 O ASP A 45 -2.513 -10.787 5.161 1.00 0.00 O ATOM 696 CB ASP A 45 -0.654 -13.528 5.330 1.00 0.00 C ATOM 697 CG ASP A 45 -1.311 -13.642 3.966 1.00 0.00 C ATOM 698 OD1 ASP A 45 -0.641 -13.363 2.957 1.00 0.00 O ATOM 699 OD2 ASP A 45 -2.498 -14.021 3.901 1.00 0.00 O ATOM 0 H ASP A 45 0.479 -12.982 7.428 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.085 -11.439 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.360 -13.923 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.198 -14.150 6.041 1.00 0.00 H new ATOM 704 N GLU A 46 -2.669 -11.873 7.136 1.00 0.00 N ATOM 705 CA GLU A 46 -4.053 -11.477 7.396 1.00 0.00 C ATOM 706 C GLU A 46 -4.152 -10.012 7.839 1.00 0.00 C ATOM 707 O GLU A 46 -5.122 -9.336 7.516 1.00 0.00 O ATOM 708 CB GLU A 46 -4.666 -12.398 8.454 1.00 0.00 C ATOM 709 CG GLU A 46 -4.544 -13.874 8.104 1.00 0.00 C ATOM 710 CD GLU A 46 -5.165 -14.792 9.136 1.00 0.00 C ATOM 711 OE1 GLU A 46 -4.664 -14.839 10.279 1.00 0.00 O ATOM 712 OE2 GLU A 46 -6.153 -15.479 8.805 1.00 0.00 O ATOM 0 H GLU A 46 -2.246 -12.425 7.883 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.611 -11.573 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.178 -12.216 9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.719 -12.146 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.019 -14.051 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.490 -14.127 7.992 1.00 0.00 H new ATOM 719 N GLU A 47 -3.123 -9.523 8.549 1.00 0.00 N ATOM 720 CA GLU A 47 -3.092 -8.138 9.049 1.00 0.00 C ATOM 721 C GLU A 47 -2.739 -7.152 7.933 1.00 0.00 C ATOM 722 O GLU A 47 -3.193 -6.005 7.942 1.00 0.00 O ATOM 723 CB GLU A 47 -2.075 -8.003 10.180 1.00 0.00 C ATOM 724 CG GLU A 47 -2.366 -8.876 11.386 1.00 0.00 C ATOM 725 CD GLU A 47 -1.265 -8.798 12.418 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.142 -9.253 12.123 1.00 0.00 O ATOM 727 OE2 GLU A 47 -1.514 -8.296 13.527 1.00 0.00 O ATOM 0 H GLU A 47 -2.297 -10.070 8.791 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.088 -7.902 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.086 -8.252 9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.040 -6.961 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.309 -8.568 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.489 -9.910 11.064 1.00 0.00 H new ATOM 734 N VAL A 48 -1.918 -7.611 6.985 1.00 0.00 N ATOM 735 CA VAL A 48 -1.587 -6.848 5.784 1.00 0.00 C ATOM 736 C VAL A 48 -2.825 -6.697 4.902 1.00 0.00 C ATOM 737 O VAL A 48 -3.056 -5.629 4.349 1.00 0.00 O ATOM 738 CB VAL A 48 -0.416 -7.510 5.001 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.196 -6.882 3.634 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.860 -7.401 5.801 1.00 0.00 C ATOM 0 H VAL A 48 -1.465 -8.524 7.031 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.254 -5.855 6.086 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.688 -8.554 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.632 -7.383 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.100 -6.988 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.038 -5.824 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.677 -7.866 5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.092 -6.350 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.734 -7.908 6.758 1.00 0.00 H new ATOM 750 N ASP A 49 -3.649 -7.753 4.839 1.00 0.00 N ATOM 751 CA ASP A 49 -4.895 -7.729 4.068 1.00 0.00 C ATOM 752 C ASP A 49 -5.916 -6.763 4.682 1.00 0.00 C ATOM 753 O ASP A 49 -6.708 -6.165 3.959 1.00 0.00 O ATOM 754 CB ASP A 49 -5.485 -9.137 3.968 1.00 0.00 C ATOM 755 CG ASP A 49 -6.694 -9.198 3.055 1.00 0.00 C ATOM 756 OD1 ASP A 49 -6.518 -9.101 1.831 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.819 -9.350 3.555 1.00 0.00 O ATOM 0 H ASP A 49 -3.471 -8.637 5.316 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.661 -7.372 3.065 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.721 -9.822 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.768 -9.480 4.963 1.00 0.00 H new ATOM 762 N GLU A 50 -5.861 -6.593 6.012 1.00 0.00 N ATOM 763 CA GLU A 50 -6.689 -5.608 6.728 1.00 0.00 C ATOM 764 C GLU A 50 -6.346 -4.170 6.325 1.00 0.00 C ATOM 765 O GLU A 50 -7.222 -3.304 6.274 1.00 0.00 O ATOM 766 CB GLU A 50 -6.512 -5.753 8.240 1.00 0.00 C ATOM 767 CG GLU A 50 -7.112 -7.019 8.822 1.00 0.00 C ATOM 768 CD GLU A 50 -8.615 -7.082 8.658 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.324 -6.384 9.405 1.00 0.00 O ATOM 770 OE2 GLU A 50 -9.091 -7.845 7.799 1.00 0.00 O ATOM 0 H GLU A 50 -5.244 -7.132 6.620 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.724 -5.809 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.447 -5.729 8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.965 -4.892 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.661 -7.886 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.863 -7.080 9.881 1.00 0.00 H new ATOM 777 N MET A 51 -5.069 -3.929 6.036 1.00 0.00 N ATOM 778 CA MET A 51 -4.605 -2.615 5.601 1.00 0.00 C ATOM 779 C MET A 51 -4.841 -2.424 4.099 1.00 0.00 C ATOM 780 O MET A 51 -5.079 -1.303 3.648 1.00 0.00 O ATOM 781 CB MET A 51 -3.119 -2.436 5.928 1.00 0.00 C ATOM 782 CG MET A 51 -2.775 -2.606 7.401 1.00 0.00 C ATOM 783 SD MET A 51 -3.580 -1.397 8.473 1.00 0.00 S ATOM 784 CE MET A 51 -2.779 0.120 7.952 1.00 0.00 C ATOM 0 H MET A 51 -4.333 -4.633 6.096 1.00 0.00 H new ATOM 0 HA MET A 51 -5.177 -1.859 6.139 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.542 -3.156 5.347 1.00 0.00 H new ATOM 0 HB3 MET A 51 -2.806 -1.443 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.060 -3.609 7.719 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.695 -2.528 7.525 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.981 0.907 8.679 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.703 -0.042 7.883 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.165 0.419 6.977 1.00 0.00 H new ATOM 794 N ILE A 52 -4.777 -3.533 3.341 1.00 0.00 N ATOM 795 CA ILE A 52 -5.029 -3.527 1.895 1.00 0.00 C ATOM 796 C ILE A 52 -6.489 -3.171 1.609 1.00 0.00 C ATOM 797 O ILE A 52 -6.740 -2.288 0.815 1.00 0.00 O ATOM 798 CB ILE A 52 -4.637 -4.894 1.216 1.00 0.00 C ATOM 799 CG1 ILE A 52 -3.105 -5.068 1.149 1.00 0.00 C ATOM 800 CG2 ILE A 52 -5.235 -5.048 -0.188 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.369 -3.970 0.395 1.00 0.00 C ATOM 0 H ILE A 52 -4.550 -4.454 3.715 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.389 -2.762 1.455 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.060 -5.676 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.714 -5.116 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.883 -6.025 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.933 -6.007 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.322 -5.005 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.875 -4.242 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.299 -4.178 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.725 -3.934 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.554 -3.010 0.877 1.00 0.00 H new ATOM 813 N ARG A 53 -7.436 -3.805 2.311 1.00 0.00 N ATOM 814 CA ARG A 53 -8.875 -3.583 2.069 1.00 0.00 C ATOM 815 C ARG A 53 -9.344 -2.185 2.510 1.00 0.00 C ATOM 816 O ARG A 53 -10.346 -1.675 2.010 1.00 0.00 O ATOM 817 CB ARG A 53 -9.721 -4.665 2.764 1.00 0.00 C ATOM 818 CG ARG A 53 -9.535 -4.736 4.278 1.00 0.00 C ATOM 819 CD ARG A 53 -10.391 -5.814 4.915 1.00 0.00 C ATOM 820 NE ARG A 53 -10.128 -7.152 4.367 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.071 -8.071 4.138 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.348 -7.815 4.417 1.00 0.00 N ATOM 823 NH2 ARG A 53 -10.738 -9.250 3.625 1.00 0.00 N ATOM 0 H ARG A 53 -7.236 -4.477 3.052 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.019 -3.649 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.773 -4.481 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.472 -5.635 2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.486 -4.928 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.784 -3.770 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.211 -5.826 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.443 -5.568 4.770 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.162 -7.395 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.613 -6.911 4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.061 -8.523 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.763 -9.454 3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.457 -9.952 3.450 1.00 0.00 H new ATOM 837 N GLU A 54 -8.600 -1.569 3.431 1.00 0.00 N ATOM 838 CA GLU A 54 -8.928 -0.239 3.926 1.00 0.00 C ATOM 839 C GLU A 54 -8.394 0.845 2.966 1.00 0.00 C ATOM 840 O GLU A 54 -8.947 1.940 2.872 1.00 0.00 O ATOM 841 CB GLU A 54 -8.347 -0.067 5.340 1.00 0.00 C ATOM 842 CG GLU A 54 -8.814 1.180 6.080 1.00 0.00 C ATOM 843 CD GLU A 54 -10.322 1.260 6.233 1.00 0.00 C ATOM 844 OE1 GLU A 54 -10.863 0.650 7.176 1.00 0.00 O ATOM 845 OE2 GLU A 54 -10.969 1.934 5.409 1.00 0.00 O ATOM 0 H GLU A 54 -7.763 -1.976 3.848 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.011 -0.126 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.609 -0.943 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.260 -0.044 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.354 1.201 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.463 2.063 5.546 1.00 0.00 H new ATOM 852 N ALA A 55 -7.334 0.518 2.233 1.00 0.00 N ATOM 853 CA ALA A 55 -6.719 1.460 1.303 1.00 0.00 C ATOM 854 C ALA A 55 -7.227 1.273 -0.132 1.00 0.00 C ATOM 855 O ALA A 55 -7.233 2.219 -0.917 1.00 0.00 O ATOM 856 CB ALA A 55 -5.209 1.317 1.357 1.00 0.00 C ATOM 0 H ALA A 55 -6.882 -0.396 2.265 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.002 2.467 1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.752 2.021 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.860 1.526 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.930 0.300 1.080 1.00 0.00 H new ATOM 862 N ASP A 56 -7.661 0.057 -0.455 1.00 0.00 N ATOM 863 CA ASP A 56 -8.060 -0.288 -1.812 1.00 0.00 C ATOM 864 C ASP A 56 -9.536 0.005 -2.040 1.00 0.00 C ATOM 865 O ASP A 56 -10.415 -0.513 -1.343 1.00 0.00 O ATOM 866 CB ASP A 56 -7.759 -1.759 -2.118 1.00 0.00 C ATOM 867 CG ASP A 56 -7.554 -1.992 -3.591 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.553 -1.537 -4.117 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.385 -2.622 -4.237 1.00 0.00 O ATOM 0 H ASP A 56 -7.745 -0.710 0.213 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.477 0.332 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.867 -2.069 -1.573 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.581 -2.380 -1.763 1.00 0.00 H new ATOM 874 N ILE A 57 -9.773 0.847 -3.029 1.00 0.00 N ATOM 875 CA ILE A 57 -11.100 1.326 -3.389 1.00 0.00 C ATOM 876 C ILE A 57 -11.855 0.286 -4.236 1.00 0.00 C ATOM 877 O ILE A 57 -13.012 -0.037 -3.951 1.00 0.00 O ATOM 878 CB ILE A 57 -10.971 2.664 -4.177 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.235 3.712 -3.325 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.331 3.203 -4.617 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.848 4.967 -4.076 1.00 0.00 C ATOM 0 H ILE A 57 -9.033 1.227 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.670 1.491 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.393 2.459 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.869 3.988 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.334 3.259 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.193 4.137 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.820 2.474 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.952 3.384 -3.740 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.334 5.651 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.186 4.707 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.745 5.448 -4.467 1.00 0.00 H new ATOM 893 N ASP A 58 -11.180 -0.265 -5.238 1.00 0.00 N ATOM 894 CA ASP A 58 -11.830 -1.090 -6.266 1.00 0.00 C ATOM 895 C ASP A 58 -11.909 -2.588 -5.887 1.00 0.00 C ATOM 896 O ASP A 58 -12.622 -3.353 -6.542 1.00 0.00 O ATOM 897 CB ASP A 58 -11.102 -0.899 -7.620 1.00 0.00 C ATOM 898 CG ASP A 58 -9.600 -1.197 -7.570 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.220 -2.197 -6.994 1.00 0.00 O ATOM 900 OD2 ASP A 58 -8.788 -0.425 -8.092 1.00 0.00 O ATOM 0 H ASP A 58 -10.174 -0.158 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.862 -0.750 -6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.565 -1.547 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.247 0.128 -7.957 1.00 0.00 H new ATOM 905 N GLY A 59 -11.179 -2.984 -4.840 1.00 0.00 N ATOM 906 CA GLY A 59 -11.167 -4.368 -4.362 1.00 0.00 C ATOM 907 C GLY A 59 -10.442 -5.366 -5.280 1.00 0.00 C ATOM 908 O GLY A 59 -11.000 -6.421 -5.589 1.00 0.00 O ATOM 0 H GLY A 59 -10.582 -2.356 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.696 -4.393 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.197 -4.700 -4.231 1.00 0.00 H new ATOM 912 N ASP A 60 -9.213 -5.052 -5.713 1.00 0.00 N ATOM 913 CA ASP A 60 -8.424 -5.969 -6.561 1.00 0.00 C ATOM 914 C ASP A 60 -7.274 -6.640 -5.791 1.00 0.00 C ATOM 915 O ASP A 60 -6.711 -7.640 -6.255 1.00 0.00 O ATOM 916 CB ASP A 60 -7.858 -5.262 -7.821 1.00 0.00 C ATOM 917 CG ASP A 60 -7.018 -4.007 -7.537 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.634 -3.778 -6.399 1.00 0.00 O ATOM 919 OD2 ASP A 60 -6.795 -3.194 -8.441 1.00 0.00 O ATOM 0 H ASP A 60 -8.741 -4.175 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.123 -6.743 -6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.245 -5.974 -8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.690 -4.986 -8.469 1.00 0.00 H new ATOM 924 N GLY A 61 -6.924 -6.087 -4.631 1.00 0.00 N ATOM 925 CA GLY A 61 -5.826 -6.625 -3.845 1.00 0.00 C ATOM 926 C GLY A 61 -4.550 -5.786 -3.912 1.00 0.00 C ATOM 927 O GLY A 61 -3.622 -6.010 -3.126 1.00 0.00 O ATOM 0 H GLY A 61 -7.383 -5.274 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.142 -6.707 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.604 -7.635 -4.191 1.00 0.00 H new ATOM 931 N GLN A 62 -4.482 -4.833 -4.848 1.00 0.00 N ATOM 932 CA GLN A 62 -3.328 -3.938 -4.947 1.00 0.00 C ATOM 933 C GLN A 62 -3.766 -2.484 -5.041 1.00 0.00 C ATOM 934 O GLN A 62 -4.561 -2.091 -5.913 1.00 0.00 O ATOM 935 CB GLN A 62 -2.467 -4.204 -6.166 1.00 0.00 C ATOM 936 CG GLN A 62 -2.147 -5.653 -6.474 1.00 0.00 C ATOM 937 CD GLN A 62 -1.183 -5.776 -7.640 1.00 0.00 C ATOM 938 OE1 GLN A 62 0.034 -5.814 -7.460 1.00 0.00 O ATOM 939 NE2 GLN A 62 -1.718 -5.813 -8.847 1.00 0.00 N ATOM 0 H GLN A 62 -5.209 -4.663 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.752 -4.129 -4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.966 -3.774 -7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.526 -3.668 -6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.715 -6.126 -5.592 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.068 -6.189 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.732 -5.779 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.118 -5.875 -9.669 1.00 0.00 H new ATOM 948 N VAL A 63 -3.135 -1.684 -4.221 1.00 0.00 N ATOM 949 CA VAL A 63 -3.504 -0.299 -4.002 1.00 0.00 C ATOM 950 C VAL A 63 -2.752 0.607 -4.979 1.00 0.00 C ATOM 951 O VAL A 63 -1.535 0.738 -4.890 1.00 0.00 O ATOM 952 CB VAL A 63 -3.184 0.104 -2.527 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.632 1.521 -2.205 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.819 -0.874 -1.541 1.00 0.00 C ATOM 0 H VAL A 63 -2.329 -1.980 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.574 -0.181 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.100 0.064 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.387 1.753 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.121 2.223 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.709 1.604 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.580 -0.570 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.901 -0.875 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.430 -1.876 -1.721 1.00 0.00 H new ATOM 964 N ASN A 64 -3.483 1.226 -5.914 1.00 0.00 N ATOM 965 CA ASN A 64 -2.902 2.201 -6.855 1.00 0.00 C ATOM 966 C ASN A 64 -2.390 3.458 -6.144 1.00 0.00 C ATOM 967 O ASN A 64 -2.543 3.621 -4.933 1.00 0.00 O ATOM 968 CB ASN A 64 -3.919 2.738 -7.855 1.00 0.00 C ATOM 969 CG ASN A 64 -4.330 1.864 -9.003 1.00 0.00 C ATOM 970 OD1 ASN A 64 -3.655 1.827 -10.030 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.496 1.269 -8.898 1.00 0.00 N ATOM 0 H ASN A 64 -4.483 1.070 -6.042 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.105 1.641 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.820 3.002 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.518 3.663 -8.270 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.876 0.749 -9.689 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.021 1.327 -8.026 1.00 0.00 H new ATOM 978 N TYR A 65 -1.823 4.371 -6.936 1.00 0.00 N ATOM 979 CA TYR A 65 -1.509 5.717 -6.472 1.00 0.00 C ATOM 980 C TYR A 65 -2.806 6.467 -6.121 1.00 0.00 C ATOM 981 O TYR A 65 -2.890 7.072 -5.060 1.00 0.00 O ATOM 982 CB TYR A 65 -0.691 6.478 -7.534 1.00 0.00 C ATOM 983 CG TYR A 65 -0.447 7.937 -7.201 1.00 0.00 C ATOM 984 CD1 TYR A 65 0.478 8.315 -6.232 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.164 8.936 -7.848 1.00 0.00 C ATOM 986 CE1 TYR A 65 0.670 9.646 -5.915 1.00 0.00 C ATOM 987 CE2 TYR A 65 -0.972 10.264 -7.540 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.058 10.616 -6.574 1.00 0.00 C ATOM 989 OH TYR A 65 0.112 11.942 -6.254 1.00 0.00 O ATOM 0 H TYR A 65 -1.572 4.197 -7.909 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.899 5.650 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.270 5.980 -7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.211 6.417 -8.490 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.054 7.557 -5.721 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.885 8.666 -8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.386 9.926 -5.156 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.537 11.027 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.476 12.491 -6.813 1.00 0.00 H new ATOM 999 N GLU A 66 -3.813 6.376 -7.011 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.159 6.951 -6.782 1.00 0.00 C ATOM 1001 C GLU A 66 -5.809 6.419 -5.499 1.00 0.00 C ATOM 1002 O GLU A 66 -6.416 7.178 -4.749 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.091 6.669 -7.980 1.00 0.00 C ATOM 1004 CG GLU A 66 -5.955 5.277 -8.574 1.00 0.00 C ATOM 1005 CD GLU A 66 -6.951 4.974 -9.663 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -6.659 5.257 -10.837 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.025 4.432 -9.351 1.00 0.00 O ATOM 0 H GLU A 66 -3.720 5.903 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.020 8.026 -6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.123 6.815 -7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.891 7.404 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.948 5.161 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.068 4.541 -7.778 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.629 5.124 -5.249 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.229 4.442 -4.110 1.00 0.00 C ATOM 1016 C GLU A 67 -5.528 4.794 -2.801 1.00 0.00 C ATOM 1017 O GLU A 67 -6.177 4.928 -1.759 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.213 2.938 -4.377 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.112 2.564 -5.538 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.216 1.085 -5.748 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.284 0.475 -6.296 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.242 0.514 -5.389 1.00 0.00 O ATOM 0 H GLU A 67 -5.058 4.516 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.260 4.776 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.193 2.617 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.535 2.406 -3.482 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.108 2.971 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.732 3.028 -6.448 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.212 4.998 -2.872 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.418 5.332 -1.701 1.00 0.00 C ATOM 1031 C PHE A 68 -3.642 6.788 -1.287 1.00 0.00 C ATOM 1032 O PHE A 68 -3.759 7.065 -0.104 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.933 5.069 -1.968 1.00 0.00 C ATOM 1034 CG PHE A 68 -1.078 5.084 -0.730 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -1.193 4.082 0.220 1.00 0.00 C ATOM 1036 CD2 PHE A 68 -0.162 6.096 -0.517 1.00 0.00 C ATOM 1037 CE1 PHE A 68 -0.409 4.094 1.358 1.00 0.00 C ATOM 1038 CE2 PHE A 68 0.624 6.113 0.616 1.00 0.00 C ATOM 1039 CZ PHE A 68 0.501 5.109 1.553 1.00 0.00 C ATOM 0 H PHE A 68 -3.675 4.936 -3.737 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.739 4.694 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.828 4.101 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.561 5.821 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.903 3.283 0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.060 6.885 -1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.510 3.309 2.093 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.335 6.912 0.769 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.118 5.119 2.439 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.743 7.697 -2.269 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.963 9.125 -1.995 1.00 0.00 C ATOM 1051 C VAL A 69 -5.340 9.355 -1.374 1.00 0.00 C ATOM 1052 O VAL A 69 -5.453 10.150 -0.447 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.764 10.025 -3.262 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.101 11.488 -2.994 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.336 9.938 -3.754 1.00 0.00 C ATOM 0 H VAL A 69 -3.676 7.468 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.200 9.425 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.450 9.648 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.947 12.069 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.142 11.570 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.455 11.871 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.215 10.569 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.660 10.277 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.103 8.905 -4.013 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.363 8.619 -1.830 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.704 8.739 -1.249 1.00 0.00 C ATOM 1067 C GLN A 70 -7.751 8.266 0.198 1.00 0.00 C ATOM 1068 O GLN A 70 -8.449 8.857 1.001 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.753 7.976 -2.057 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.066 8.589 -3.414 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.510 10.045 -3.357 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.116 10.502 -2.386 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.212 10.784 -4.412 1.00 0.00 N ATOM 0 H GLN A 70 -6.288 7.943 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.939 9.803 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.407 6.953 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.673 7.921 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.181 8.516 -4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.849 8.001 -3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.709 10.372 -5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.485 11.766 -4.440 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.976 7.227 0.528 1.00 0.00 N ATOM 1083 CA HIS A 71 -6.906 6.707 1.897 1.00 0.00 C ATOM 1084 C HIS A 71 -6.095 7.651 2.814 1.00 0.00 C ATOM 1085 O HIS A 71 -6.385 7.763 4.003 1.00 0.00 O ATOM 1086 CB HIS A 71 -6.297 5.284 1.875 1.00 0.00 C ATOM 1087 CG HIS A 71 -6.117 4.646 3.231 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -4.991 4.323 3.908 1.00 0.00 N flip ATOM 1089 CD2 HIS A 71 -7.164 4.328 4.066 1.00 0.00 C flip ATOM 1090 CE1 HIS A 71 -5.375 3.829 5.129 1.00 0.00 C flip ATOM 1091 NE2 HIS A 71 -6.691 3.841 5.194 1.00 0.00 N flip ATOM 0 H HIS A 71 -6.386 6.728 -0.138 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.914 6.654 2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.936 4.641 1.270 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.327 5.328 1.379 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -4.033 4.427 3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.210 4.458 3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.709 3.487 5.908 1.00 0.00 H new ATOM 1100 N MET A 72 -5.098 8.322 2.248 1.00 0.00 N ATOM 1101 CA MET A 72 -4.189 9.169 3.022 1.00 0.00 C ATOM 1102 C MET A 72 -4.735 10.588 3.207 1.00 0.00 C ATOM 1103 O MET A 72 -4.302 11.308 4.105 1.00 0.00 O ATOM 1104 CB MET A 72 -2.819 9.200 2.346 1.00 0.00 C ATOM 1105 CG MET A 72 -2.073 7.878 2.435 1.00 0.00 C ATOM 1106 SD MET A 72 -1.341 7.562 4.048 1.00 0.00 S ATOM 1107 CE MET A 72 0.200 8.471 3.894 1.00 0.00 C ATOM 0 H MET A 72 -4.895 8.297 1.249 1.00 0.00 H new ATOM 0 HA MET A 72 -4.094 8.738 4.019 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.945 9.468 1.297 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.214 9.982 2.804 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.760 7.067 2.193 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.286 7.864 1.681 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.773 8.375 4.816 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.779 8.068 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.015 9.523 3.709 1.00 0.00 H new ATOM 1117 N THR A 73 -5.681 10.987 2.356 1.00 0.00 N ATOM 1118 CA THR A 73 -6.390 12.256 2.532 1.00 0.00 C ATOM 1119 C THR A 73 -7.691 12.038 3.315 1.00 0.00 C ATOM 1120 O THR A 73 -8.348 12.993 3.740 1.00 0.00 O ATOM 1121 CB THR A 73 -6.693 12.954 1.181 1.00 0.00 C ATOM 1122 OG1 THR A 73 -7.409 12.072 0.307 1.00 0.00 O ATOM 1123 CG2 THR A 73 -5.408 13.421 0.498 1.00 0.00 C ATOM 0 H THR A 73 -5.974 10.451 1.539 1.00 0.00 H new ATOM 0 HA THR A 73 -5.731 12.914 3.099 1.00 0.00 H new ATOM 0 HB THR A 73 -7.310 13.827 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.804 11.375 -0.023 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.654 13.906 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.888 14.128 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.764 12.562 0.308 1.00 0.00 H new