USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 603 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 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 10:sc= 0.892 USER MOD Single : A 25 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.32) USER MOD Single : A 28 HIS : no HD1:sc= -9.19! C(o=-9.2!,f=-9!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 172:sc= 0 (180deg=-0.0984) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 62 CYS SG : rot -100:sc= -1.36 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00838 K(o=-0.0084,f=-1.1) USER MOD Single : A 78 HIS : no HE2:sc= -2.17 X(o=-2.2,f=-2.6!) USER MOD Single : A 81 ASN : amide:sc= -1.16! C(o=-1.2!,f=-2.3!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N GLY A 11 -15.605 -7.026 4.288 1.00 0.00 N ATOM 126 CA GLY A 11 -15.362 -8.413 3.934 1.00 0.00 C ATOM 127 C GLY A 11 -14.876 -9.235 5.110 1.00 0.00 C ATOM 128 O GLY A 11 -14.798 -8.738 6.233 1.00 0.00 O ATOM 0 HA2 GLY A 11 -16.280 -8.851 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.623 -8.456 3.134 1.00 0.00 H new ATOM 132 N GLU A 12 -14.549 -10.498 4.853 1.00 0.00 N ATOM 133 CA GLU A 12 -14.070 -11.391 5.901 1.00 0.00 C ATOM 134 C GLU A 12 -12.548 -11.503 5.867 1.00 0.00 C ATOM 135 O GLU A 12 -11.924 -11.318 4.822 1.00 0.00 O ATOM 136 CB GLU A 12 -14.698 -12.778 5.747 1.00 0.00 C ATOM 137 CG GLU A 12 -16.026 -12.928 6.469 1.00 0.00 C ATOM 138 CD GLU A 12 -16.554 -14.349 6.428 1.00 0.00 C ATOM 139 OE1 GLU A 12 -16.994 -14.788 5.345 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.527 -15.022 7.480 1.00 0.00 O ATOM 0 H GLU A 12 -14.607 -10.925 3.929 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.365 -10.971 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.845 -12.985 4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.002 -13.527 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.908 -12.618 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.759 -12.259 6.018 1.00 0.00 H new ATOM 147 N LEU A 13 -11.958 -11.807 7.018 1.00 0.00 N ATOM 148 CA LEU A 13 -10.509 -11.943 7.122 1.00 0.00 C ATOM 149 C LEU A 13 -10.001 -13.061 6.217 1.00 0.00 C ATOM 150 O LEU A 13 -9.039 -12.880 5.472 1.00 0.00 O ATOM 151 CB LEU A 13 -10.106 -12.221 8.571 1.00 0.00 C ATOM 152 CG LEU A 13 -10.150 -11.024 9.521 1.00 0.00 C ATOM 153 CD1 LEU A 13 -11.559 -10.816 10.054 1.00 0.00 C ATOM 154 CD2 LEU A 13 -9.168 -11.217 10.668 1.00 0.00 C ATOM 0 H LEU A 13 -12.460 -11.964 7.892 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.056 -11.005 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.761 -12.998 8.967 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.094 -12.625 8.574 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.859 -10.133 8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.570 -9.960 10.728 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.239 -10.632 9.222 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.879 -11.707 10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.213 -10.355 11.334 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.429 -12.118 11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.158 -11.316 10.270 1.00 0.00 H new ATOM 166 N GLU A 14 -10.656 -14.216 6.288 1.00 0.00 N ATOM 167 CA GLU A 14 -10.271 -15.363 5.474 1.00 0.00 C ATOM 168 C GLU A 14 -10.495 -15.078 3.992 1.00 0.00 C ATOM 169 O GLU A 14 -9.804 -15.626 3.133 1.00 0.00 O ATOM 170 CB GLU A 14 -11.065 -16.603 5.892 1.00 0.00 C ATOM 171 CG GLU A 14 -10.501 -17.302 7.117 1.00 0.00 C ATOM 172 CD GLU A 14 -9.113 -17.865 6.881 1.00 0.00 C ATOM 173 OE1 GLU A 14 -9.009 -18.966 6.302 1.00 0.00 O ATOM 174 OE2 GLU A 14 -8.130 -17.203 7.276 1.00 0.00 O ATOM 0 H GLU A 14 -11.455 -14.382 6.900 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.209 -15.549 5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.097 -16.313 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.087 -17.307 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.467 -16.598 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.171 -18.110 7.410 1.00 0.00 H new ATOM 181 N GLN A 15 -11.466 -14.218 3.701 1.00 0.00 N ATOM 182 CA GLN A 15 -11.782 -13.861 2.323 1.00 0.00 C ATOM 183 C GLN A 15 -10.707 -12.953 1.735 1.00 0.00 C ATOM 184 O GLN A 15 -10.624 -12.779 0.519 1.00 0.00 O ATOM 185 CB GLN A 15 -13.145 -13.169 2.253 1.00 0.00 C ATOM 186 CG GLN A 15 -14.312 -14.136 2.139 1.00 0.00 C ATOM 187 CD GLN A 15 -14.654 -14.472 0.701 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.225 -15.498 0.173 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.432 -13.608 0.060 1.00 0.00 N ATOM 0 H GLN A 15 -12.047 -13.756 4.401 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.817 -14.779 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.278 -12.555 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.157 -12.495 1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.072 -15.054 2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -15.186 -13.703 2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.765 -12.770 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.697 -13.782 -0.909 1.00 0.00 H new ATOM 198 N MET A 16 -9.885 -12.377 2.606 1.00 0.00 N ATOM 199 CA MET A 16 -8.814 -11.487 2.172 1.00 0.00 C ATOM 200 C MET A 16 -7.732 -12.262 1.428 1.00 0.00 C ATOM 201 O MET A 16 -7.577 -13.469 1.617 1.00 0.00 O ATOM 202 CB MET A 16 -8.204 -10.764 3.375 1.00 0.00 C ATOM 203 CG MET A 16 -9.228 -10.028 4.224 1.00 0.00 C ATOM 204 SD MET A 16 -8.470 -8.847 5.357 1.00 0.00 S ATOM 205 CE MET A 16 -9.905 -7.912 5.880 1.00 0.00 C ATOM 0 H MET A 16 -9.940 -12.510 3.616 1.00 0.00 H new ATOM 0 HA MET A 16 -9.241 -10.750 1.492 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.681 -11.490 3.998 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.458 -10.052 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.926 -9.503 3.571 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.809 -10.752 4.795 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.599 -7.140 6.586 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.372 -7.446 5.012 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.619 -8.580 6.361 1.00 0.00 H new ATOM 215 N VAL A 17 -6.985 -11.561 0.580 1.00 0.00 N ATOM 216 CA VAL A 17 -5.916 -12.183 -0.192 1.00 0.00 C ATOM 217 C VAL A 17 -4.635 -11.360 -0.121 1.00 0.00 C ATOM 218 O VAL A 17 -4.677 -10.142 0.054 1.00 0.00 O ATOM 219 CB VAL A 17 -6.320 -12.359 -1.668 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.603 -13.167 -1.779 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.473 -11.004 -2.343 1.00 0.00 C ATOM 0 H VAL A 17 -7.101 -10.562 0.411 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.737 -13.164 0.248 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.529 -12.908 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.872 -13.280 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.453 -14.151 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.405 -12.650 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.759 -11.147 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.244 -10.428 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.526 -10.466 -2.297 1.00 0.00 H new ATOM 231 N SER A 18 -3.497 -12.033 -0.258 1.00 0.00 N ATOM 232 CA SER A 18 -2.203 -11.364 -0.206 1.00 0.00 C ATOM 233 C SER A 18 -1.618 -11.203 -1.606 1.00 0.00 C ATOM 234 O SER A 18 -1.422 -12.182 -2.325 1.00 0.00 O ATOM 235 CB SER A 18 -1.233 -12.151 0.676 1.00 0.00 C ATOM 236 OG SER A 18 -0.714 -13.275 -0.013 1.00 0.00 O ATOM 0 H SER A 18 -3.445 -13.041 -0.406 1.00 0.00 H new ATOM 0 HA SER A 18 -2.351 -10.373 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.414 -11.503 0.990 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.744 -12.479 1.581 1.00 0.00 H new ATOM 0 HG SER A 18 -0.968 -13.225 -0.958 1.00 0.00 H new ATOM 242 N GLU A 19 -1.342 -9.959 -1.986 1.00 0.00 N ATOM 243 CA GLU A 19 -0.780 -9.669 -3.301 1.00 0.00 C ATOM 244 C GLU A 19 0.568 -8.966 -3.173 1.00 0.00 C ATOM 245 O GLU A 19 0.918 -8.460 -2.107 1.00 0.00 O ATOM 246 CB GLU A 19 -1.745 -8.802 -4.112 1.00 0.00 C ATOM 247 CG GLU A 19 -2.782 -9.602 -4.882 1.00 0.00 C ATOM 248 CD GLU A 19 -2.172 -10.752 -5.660 1.00 0.00 C ATOM 249 OE1 GLU A 19 -1.762 -10.532 -6.819 1.00 0.00 O ATOM 250 OE2 GLU A 19 -2.104 -11.871 -5.110 1.00 0.00 O ATOM 0 H GLU A 19 -1.498 -9.137 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.629 -10.615 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.256 -8.114 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.173 -8.195 -4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.524 -9.992 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.308 -8.941 -5.571 1.00 0.00 H new ATOM 257 N ASP A 20 1.321 -8.940 -4.268 1.00 0.00 N ATOM 258 CA ASP A 20 2.631 -8.300 -4.280 1.00 0.00 C ATOM 259 C ASP A 20 2.635 -7.089 -5.207 1.00 0.00 C ATOM 260 O ASP A 20 2.282 -7.192 -6.382 1.00 0.00 O ATOM 261 CB ASP A 20 3.705 -9.297 -4.717 1.00 0.00 C ATOM 262 CG ASP A 20 3.407 -10.710 -4.256 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.505 -11.347 -4.841 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.075 -11.179 -3.311 1.00 0.00 O ATOM 0 H ASP A 20 1.046 -9.355 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 20 2.852 -7.961 -3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.789 -9.283 -5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.670 -8.984 -4.319 1.00 0.00 H new ATOM 269 N VAL A 21 3.036 -5.940 -4.671 1.00 0.00 N ATOM 270 CA VAL A 21 3.086 -4.709 -5.450 1.00 0.00 C ATOM 271 C VAL A 21 4.508 -4.165 -5.528 1.00 0.00 C ATOM 272 O VAL A 21 5.164 -3.927 -4.513 1.00 0.00 O ATOM 273 CB VAL A 21 2.167 -3.628 -4.852 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.788 -2.603 -5.910 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.925 -4.263 -4.244 1.00 0.00 C ATOM 0 H VAL A 21 3.331 -5.837 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 21 2.739 -4.956 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 21 2.709 -3.112 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.138 -1.847 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.690 -2.126 -6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.264 -3.100 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.286 -3.485 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.379 -4.805 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.219 -4.954 -3.454 1.00 0.00 H new ATOM 285 N PRO A 22 4.998 -3.963 -6.760 1.00 0.00 N ATOM 286 CA PRO A 22 6.348 -3.443 -7.000 1.00 0.00 C ATOM 287 C PRO A 22 6.485 -1.978 -6.598 1.00 0.00 C ATOM 288 O PRO A 22 6.078 -1.081 -7.336 1.00 0.00 O ATOM 289 CB PRO A 22 6.525 -3.602 -8.512 1.00 0.00 C ATOM 290 CG PRO A 22 5.140 -3.582 -9.060 1.00 0.00 C ATOM 291 CD PRO A 22 4.272 -4.224 -8.014 1.00 0.00 C ATOM 0 HA PRO A 22 7.099 -3.970 -6.411 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.127 -2.794 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.033 -4.535 -8.755 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.816 -2.562 -9.264 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.085 -4.128 -10.002 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.273 -3.788 -7.998 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.151 -5.292 -8.193 1.00 0.00 H new ATOM 299 N LEU A 23 7.060 -1.743 -5.424 1.00 0.00 N ATOM 300 CA LEU A 23 7.252 -0.387 -4.924 1.00 0.00 C ATOM 301 C LEU A 23 8.730 -0.100 -4.679 1.00 0.00 C ATOM 302 O LEU A 23 9.395 -0.813 -3.927 1.00 0.00 O ATOM 303 CB LEU A 23 6.461 -0.182 -3.631 1.00 0.00 C ATOM 304 CG LEU A 23 6.528 1.217 -3.017 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.655 2.186 -3.799 1.00 0.00 C ATOM 306 CD2 LEU A 23 6.107 1.178 -1.555 1.00 0.00 C ATOM 0 H LEU A 23 7.401 -2.474 -4.800 1.00 0.00 H new ATOM 0 HA LEU A 23 6.887 0.307 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.416 -0.421 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.819 -0.899 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 23 7.559 1.567 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.716 3.176 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.002 2.236 -4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.621 1.841 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.161 2.182 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.085 0.807 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.774 0.517 -1.002 1.00 0.00 H new ATOM 318 N ASP A 24 9.237 0.949 -5.318 1.00 0.00 N ATOM 319 CA ASP A 24 10.636 1.332 -5.167 1.00 0.00 C ATOM 320 C ASP A 24 10.988 1.540 -3.697 1.00 0.00 C ATOM 321 O ASP A 24 10.221 2.140 -2.943 1.00 0.00 O ATOM 322 CB ASP A 24 10.925 2.609 -5.959 1.00 0.00 C ATOM 323 CG ASP A 24 12.407 2.817 -6.201 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.150 1.814 -6.231 1.00 0.00 O ATOM 325 OD2 ASP A 24 12.824 3.983 -6.360 1.00 0.00 O ATOM 0 H ASP A 24 8.701 1.549 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 24 11.253 0.523 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.406 2.564 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.524 3.467 -5.419 1.00 0.00 H new ATOM 330 N HIS A 25 12.152 1.039 -3.296 1.00 0.00 N ATOM 331 CA HIS A 25 12.605 1.169 -1.916 1.00 0.00 C ATOM 332 C HIS A 25 13.104 2.584 -1.639 1.00 0.00 C ATOM 333 O HIS A 25 13.231 2.993 -0.485 1.00 0.00 O ATOM 334 CB HIS A 25 13.714 0.158 -1.624 1.00 0.00 C ATOM 335 CG HIS A 25 15.049 0.558 -2.173 1.00 0.00 C ATOM 336 ND1 HIS A 25 15.978 1.273 -1.447 1.00 0.00 N ATOM 337 CD2 HIS A 25 15.610 0.338 -3.385 1.00 0.00 C ATOM 338 CE1 HIS A 25 17.052 1.476 -2.189 1.00 0.00 C ATOM 339 NE2 HIS A 25 16.854 0.918 -3.370 1.00 0.00 N ATOM 0 H HIS A 25 12.798 0.540 -3.907 1.00 0.00 H new ATOM 0 HA HIS A 25 11.758 0.967 -1.261 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.799 0.026 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.433 -0.808 -2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.162 -0.195 -4.211 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.941 2.008 -1.882 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.518 0.918 -4.145 1.00 0.00 H new ATOM 347 N ARG A 26 13.386 3.326 -2.705 1.00 0.00 N ATOM 348 CA ARG A 26 13.873 4.694 -2.576 1.00 0.00 C ATOM 349 C ARG A 26 12.762 5.624 -2.096 1.00 0.00 C ATOM 350 O ARG A 26 13.026 6.720 -1.602 1.00 0.00 O ATOM 351 CB ARG A 26 14.425 5.189 -3.914 1.00 0.00 C ATOM 352 CG ARG A 26 15.632 4.405 -4.403 1.00 0.00 C ATOM 353 CD ARG A 26 16.420 5.185 -5.443 1.00 0.00 C ATOM 354 NE ARG A 26 15.758 5.186 -6.745 1.00 0.00 N ATOM 355 CZ ARG A 26 15.782 4.155 -7.582 1.00 0.00 C ATOM 356 NH1 ARG A 26 16.432 3.046 -7.255 1.00 0.00 N ATOM 357 NH2 ARG A 26 15.156 4.231 -8.749 1.00 0.00 N ATOM 0 H ARG A 26 13.286 3.003 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 26 14.673 4.700 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.637 5.133 -4.665 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.699 6.239 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.279 4.167 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.303 3.458 -4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.552 6.212 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.415 4.752 -5.543 1.00 0.00 H new ATOM 0 HE ARG A 26 15.250 6.024 -7.027 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.915 2.983 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.449 2.256 -7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.655 5.082 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.175 3.438 -9.391 1.00 0.00 H new ATOM 371 N VAL A 27 11.519 5.178 -2.246 1.00 0.00 N ATOM 372 CA VAL A 27 10.368 5.969 -1.828 1.00 0.00 C ATOM 373 C VAL A 27 9.555 5.238 -0.765 1.00 0.00 C ATOM 374 O VAL A 27 8.432 5.631 -0.448 1.00 0.00 O ATOM 375 CB VAL A 27 9.452 6.301 -3.021 1.00 0.00 C ATOM 376 CG1 VAL A 27 10.279 6.658 -4.246 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.520 5.136 -3.317 1.00 0.00 C ATOM 0 H VAL A 27 11.283 4.273 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 27 10.757 6.897 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 27 8.843 7.166 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.615 6.889 -5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.900 7.526 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.916 5.815 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.880 5.388 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.109 4.251 -3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.902 4.933 -2.442 1.00 0.00 H new ATOM 387 N HIS A 28 10.130 4.172 -0.218 1.00 0.00 N ATOM 388 CA HIS A 28 9.460 3.386 0.811 1.00 0.00 C ATOM 389 C HIS A 28 9.295 4.196 2.093 1.00 0.00 C ATOM 390 O HIS A 28 8.176 4.438 2.546 1.00 0.00 O ATOM 391 CB HIS A 28 10.247 2.107 1.100 1.00 0.00 C ATOM 392 CG HIS A 28 9.867 0.957 0.219 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.276 -0.338 0.454 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.108 0.913 -0.901 1.00 0.00 C ATOM 395 CE1 HIS A 28 9.787 -1.129 -0.484 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.074 -0.394 -1.319 1.00 0.00 N ATOM 0 H HIS A 28 11.058 3.833 -0.470 1.00 0.00 H new ATOM 0 HA HIS A 28 8.470 3.119 0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.311 2.310 0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.093 1.823 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.620 1.751 -1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.943 -2.195 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.579 -0.741 -2.140 1.00 0.00 H new ATOM 404 N ALA A 29 10.416 4.612 2.673 1.00 0.00 N ATOM 405 CA ALA A 29 10.395 5.396 3.902 1.00 0.00 C ATOM 406 C ALA A 29 9.666 6.719 3.697 1.00 0.00 C ATOM 407 O ALA A 29 9.099 7.279 4.635 1.00 0.00 O ATOM 408 CB ALA A 29 11.813 5.643 4.394 1.00 0.00 C ATOM 0 H ALA A 29 11.350 4.419 2.312 1.00 0.00 H new ATOM 0 HA ALA A 29 9.854 4.827 4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.783 6.229 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.302 4.689 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.372 6.188 3.634 1.00 0.00 H new ATOM 414 N ARG A 30 9.686 7.215 2.464 1.00 0.00 N ATOM 415 CA ARG A 30 9.028 8.474 2.136 1.00 0.00 C ATOM 416 C ARG A 30 7.511 8.331 2.212 1.00 0.00 C ATOM 417 O ARG A 30 6.826 9.177 2.788 1.00 0.00 O ATOM 418 CB ARG A 30 9.437 8.939 0.737 1.00 0.00 C ATOM 419 CG ARG A 30 10.921 9.244 0.606 1.00 0.00 C ATOM 420 CD ARG A 30 11.251 10.636 1.121 1.00 0.00 C ATOM 421 NE ARG A 30 10.712 11.682 0.256 1.00 0.00 N ATOM 422 CZ ARG A 30 10.643 12.961 0.605 1.00 0.00 C ATOM 423 NH1 ARG A 30 11.077 13.352 1.796 1.00 0.00 N ATOM 424 NH2 ARG A 30 10.140 13.854 -0.238 1.00 0.00 N ATOM 0 H ARG A 30 10.151 6.764 1.676 1.00 0.00 H new ATOM 0 HA ARG A 30 9.343 9.220 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.168 8.169 0.014 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.867 9.832 0.479 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.496 8.503 1.162 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.220 9.161 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.849 10.755 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.333 10.748 1.195 1.00 0.00 H new ATOM 0 HE ARG A 30 10.370 11.415 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.465 12.669 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.023 14.335 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.806 13.558 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.087 14.836 0.031 1.00 0.00 H new ATOM 438 N ILE A 31 6.993 7.256 1.628 1.00 0.00 N ATOM 439 CA ILE A 31 5.558 7.002 1.631 1.00 0.00 C ATOM 440 C ILE A 31 5.091 6.495 2.991 1.00 0.00 C ATOM 441 O ILE A 31 4.010 6.852 3.460 1.00 0.00 O ATOM 442 CB ILE A 31 5.165 5.976 0.551 1.00 0.00 C ATOM 443 CG1 ILE A 31 5.236 6.613 -0.838 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.770 5.432 0.820 1.00 0.00 C ATOM 445 CD1 ILE A 31 5.066 5.620 -1.967 1.00 0.00 C ATOM 0 H ILE A 31 7.546 6.547 1.147 1.00 0.00 H new ATOM 0 HA ILE A 31 5.070 7.952 1.413 1.00 0.00 H new ATOM 0 HB ILE A 31 5.870 5.146 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.464 7.378 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.196 7.117 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.507 4.708 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.751 4.946 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.052 6.252 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.127 6.141 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.854 4.869 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.094 5.134 -1.881 1.00 0.00 H new ATOM 457 N ILE A 32 5.915 5.664 3.620 1.00 0.00 N ATOM 458 CA ILE A 32 5.588 5.110 4.929 1.00 0.00 C ATOM 459 C ILE A 32 5.158 6.207 5.897 1.00 0.00 C ATOM 460 O ILE A 32 4.093 6.127 6.509 1.00 0.00 O ATOM 461 CB ILE A 32 6.782 4.348 5.532 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.969 3.005 4.822 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.578 4.140 7.025 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.344 2.405 5.015 1.00 0.00 C ATOM 0 H ILE A 32 6.813 5.359 3.245 1.00 0.00 H new ATOM 0 HA ILE A 32 4.762 4.415 4.781 1.00 0.00 H new ATOM 0 HB ILE A 32 7.684 4.943 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.220 2.302 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.786 3.139 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.430 3.600 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.489 5.108 7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.668 3.563 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.404 1.455 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.097 3.088 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.523 2.239 6.077 1.00 0.00 H new ATOM 476 N GLY A 33 5.994 7.232 6.031 1.00 0.00 N ATOM 477 CA GLY A 33 5.682 8.332 6.925 1.00 0.00 C ATOM 478 C GLY A 33 6.463 8.263 8.222 1.00 0.00 C ATOM 479 O GLY A 33 6.862 7.184 8.659 1.00 0.00 O ATOM 0 H GLY A 33 6.882 7.320 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.898 9.276 6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.615 8.325 7.146 1.00 0.00 H new ATOM 483 N ALA A 34 6.684 9.419 8.840 1.00 0.00 N ATOM 484 CA ALA A 34 7.423 9.486 10.095 1.00 0.00 C ATOM 485 C ALA A 34 6.986 8.380 11.049 1.00 0.00 C ATOM 486 O ALA A 34 7.760 7.476 11.363 1.00 0.00 O ATOM 487 CB ALA A 34 7.238 10.849 10.744 1.00 0.00 C ATOM 0 H ALA A 34 6.362 10.322 8.492 1.00 0.00 H new ATOM 0 HA ALA A 34 8.480 9.342 9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.795 10.885 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.606 11.625 10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.180 11.016 10.945 1.00 0.00 H new ATOM 493 N ARG A 35 5.740 8.458 11.507 1.00 0.00 N ATOM 494 CA ARG A 35 5.201 7.464 12.427 1.00 0.00 C ATOM 495 C ARG A 35 4.274 6.496 11.699 1.00 0.00 C ATOM 496 O ARG A 35 3.388 5.894 12.304 1.00 0.00 O ATOM 497 CB ARG A 35 4.446 8.150 13.567 1.00 0.00 C ATOM 498 CG ARG A 35 5.336 8.549 14.733 1.00 0.00 C ATOM 499 CD ARG A 35 6.095 9.834 14.440 1.00 0.00 C ATOM 500 NE ARG A 35 6.659 10.424 15.651 1.00 0.00 N ATOM 501 CZ ARG A 35 7.699 11.250 15.650 1.00 0.00 C ATOM 502 NH1 ARG A 35 8.285 11.582 14.508 1.00 0.00 N ATOM 503 NH2 ARG A 35 8.155 11.747 16.793 1.00 0.00 N ATOM 0 H ARG A 35 5.086 9.199 11.256 1.00 0.00 H new ATOM 0 HA ARG A 35 6.036 6.899 12.841 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.949 9.039 13.179 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.665 7.481 13.929 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.728 8.680 15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.044 7.747 14.943 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.896 9.628 13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.425 10.551 13.966 1.00 0.00 H new ATOM 0 HE ARG A 35 6.231 10.189 16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.937 11.203 13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.084 12.217 14.510 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.707 11.495 17.674 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.954 12.381 16.791 1.00 0.00 H new ATOM 517 N GLY A 36 4.484 6.350 10.394 1.00 0.00 N ATOM 518 CA GLY A 36 3.659 5.455 9.604 1.00 0.00 C ATOM 519 C GLY A 36 2.255 5.988 9.402 1.00 0.00 C ATOM 520 O GLY A 36 1.285 5.230 9.429 1.00 0.00 O ATOM 0 H GLY A 36 5.211 6.836 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.127 5.297 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.608 4.484 10.096 1.00 0.00 H new ATOM 524 N LYS A 37 2.144 7.296 9.199 1.00 0.00 N ATOM 525 CA LYS A 37 0.848 7.932 8.991 1.00 0.00 C ATOM 526 C LYS A 37 0.498 7.981 7.507 1.00 0.00 C ATOM 527 O LYS A 37 -0.557 7.501 7.093 1.00 0.00 O ATOM 528 CB LYS A 37 0.852 9.348 9.572 1.00 0.00 C ATOM 529 CG LYS A 37 0.731 9.384 11.086 1.00 0.00 C ATOM 530 CD LYS A 37 -0.709 9.200 11.534 1.00 0.00 C ATOM 531 CE LYS A 37 -1.464 10.521 11.540 1.00 0.00 C ATOM 532 NZ LYS A 37 -2.929 10.321 11.718 1.00 0.00 N ATOM 0 H LYS A 37 2.937 7.937 9.174 1.00 0.00 H new ATOM 0 HA LYS A 37 0.093 7.337 9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.774 9.850 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.028 9.913 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.351 8.600 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.111 10.335 11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.211 8.496 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.728 8.765 12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.084 11.153 12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.280 11.049 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.408 11.244 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.297 9.739 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.106 9.840 12.623 1.00 0.00 H new ATOM 546 N ALA A 38 1.390 8.562 6.712 1.00 0.00 N ATOM 547 CA ALA A 38 1.177 8.670 5.274 1.00 0.00 C ATOM 548 C ALA A 38 0.683 7.350 4.692 1.00 0.00 C ATOM 549 O ALA A 38 -0.087 7.334 3.732 1.00 0.00 O ATOM 550 CB ALA A 38 2.458 9.109 4.582 1.00 0.00 C ATOM 0 H ALA A 38 2.268 8.965 7.040 1.00 0.00 H new ATOM 0 HA ALA A 38 0.408 9.423 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.284 9.185 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.767 10.080 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.243 8.377 4.771 1.00 0.00 H new ATOM 556 N ILE A 39 1.133 6.246 5.278 1.00 0.00 N ATOM 557 CA ILE A 39 0.736 4.921 4.817 1.00 0.00 C ATOM 558 C ILE A 39 -0.535 4.453 5.517 1.00 0.00 C ATOM 559 O ILE A 39 -1.248 3.583 5.015 1.00 0.00 O ATOM 560 CB ILE A 39 1.851 3.885 5.055 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.493 2.556 4.387 1.00 0.00 C ATOM 562 CG2 ILE A 39 2.082 3.689 6.546 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.407 2.641 2.879 1.00 0.00 C ATOM 0 H ILE A 39 1.772 6.242 6.073 1.00 0.00 H new ATOM 0 HA ILE A 39 0.549 5.002 3.746 1.00 0.00 H new ATOM 0 HB ILE A 39 2.774 4.257 4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.239 1.810 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.537 2.208 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.873 2.954 6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.376 4.637 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.163 3.335 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.150 1.663 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.640 3.363 2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.369 2.959 2.477 1.00 0.00 H new ATOM 575 N ARG A 40 -0.815 5.038 6.677 1.00 0.00 N ATOM 576 CA ARG A 40 -2.001 4.681 7.446 1.00 0.00 C ATOM 577 C ARG A 40 -3.272 5.078 6.699 1.00 0.00 C ATOM 578 O ARG A 40 -4.220 4.297 6.607 1.00 0.00 O ATOM 579 CB ARG A 40 -1.970 5.359 8.817 1.00 0.00 C ATOM 580 CG ARG A 40 -2.821 4.658 9.863 1.00 0.00 C ATOM 581 CD ARG A 40 -2.173 3.365 10.333 1.00 0.00 C ATOM 582 NE ARG A 40 -0.894 3.604 10.995 1.00 0.00 N ATOM 583 CZ ARG A 40 -0.782 4.047 12.242 1.00 0.00 C ATOM 584 NH1 ARG A 40 -1.869 4.299 12.959 1.00 0.00 N ATOM 585 NH2 ARG A 40 0.418 4.240 12.774 1.00 0.00 N ATOM 0 H ARG A 40 -0.237 5.761 7.105 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.002 3.600 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.939 5.401 9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.313 6.388 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.972 5.321 10.715 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.806 4.443 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.846 2.851 11.019 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.022 2.704 9.480 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.039 3.421 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.793 4.153 12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.781 4.639 13.917 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.256 4.048 12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.502 4.580 13.732 1.00 0.00 H new ATOM 599 N LYS A 41 -3.285 6.296 6.169 1.00 0.00 N ATOM 600 CA LYS A 41 -4.437 6.797 5.430 1.00 0.00 C ATOM 601 C LYS A 41 -4.735 5.915 4.222 1.00 0.00 C ATOM 602 O LYS A 41 -5.895 5.671 3.890 1.00 0.00 O ATOM 603 CB LYS A 41 -4.190 8.237 4.975 1.00 0.00 C ATOM 604 CG LYS A 41 -3.353 8.340 3.712 1.00 0.00 C ATOM 605 CD LYS A 41 -3.154 9.787 3.292 1.00 0.00 C ATOM 606 CE LYS A 41 -2.237 9.895 2.083 1.00 0.00 C ATOM 607 NZ LYS A 41 -2.379 11.208 1.395 1.00 0.00 N ATOM 0 H LYS A 41 -2.510 6.955 6.238 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.301 6.775 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.150 8.725 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.692 8.782 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.383 7.872 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.839 7.790 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.120 10.235 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.732 10.353 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.202 9.760 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.464 9.091 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.738 11.242 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.360 11.326 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.138 11.974 2.056 1.00 0.00 H new ATOM 621 N ILE A 42 -3.680 5.438 3.569 1.00 0.00 N ATOM 622 CA ILE A 42 -3.830 4.581 2.400 1.00 0.00 C ATOM 623 C ILE A 42 -4.529 3.275 2.761 1.00 0.00 C ATOM 624 O ILE A 42 -5.408 2.809 2.036 1.00 0.00 O ATOM 625 CB ILE A 42 -2.466 4.259 1.759 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.807 5.539 1.242 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.635 3.251 0.632 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.406 5.326 0.713 1.00 0.00 C ATOM 0 H ILE A 42 -2.713 5.631 3.830 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.440 5.131 1.683 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.819 3.820 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.425 5.962 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.775 6.272 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.663 3.034 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.067 2.332 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.296 3.664 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.001 6.276 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.227 4.932 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.433 4.617 -0.114 1.00 0.00 H new ATOM 640 N MET A 43 -4.135 2.690 3.888 1.00 0.00 N ATOM 641 CA MET A 43 -4.727 1.439 4.347 1.00 0.00 C ATOM 642 C MET A 43 -6.205 1.626 4.675 1.00 0.00 C ATOM 643 O MET A 43 -7.060 0.905 4.160 1.00 0.00 O ATOM 644 CB MET A 43 -3.981 0.919 5.578 1.00 0.00 C ATOM 645 CG MET A 43 -2.656 0.251 5.248 1.00 0.00 C ATOM 646 SD MET A 43 -1.935 -0.599 6.665 1.00 0.00 S ATOM 647 CE MET A 43 -0.542 0.468 7.027 1.00 0.00 C ATOM 0 H MET A 43 -3.409 3.062 4.500 1.00 0.00 H new ATOM 0 HA MET A 43 -4.641 0.708 3.543 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.800 1.749 6.261 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.617 0.207 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.805 -0.463 4.438 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.955 1.003 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.079 0.157 7.963 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.188 0.399 6.221 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.887 1.498 7.117 1.00 0.00 H new ATOM 657 N ASP A 44 -6.498 2.596 5.534 1.00 0.00 N ATOM 658 CA ASP A 44 -7.874 2.876 5.929 1.00 0.00 C ATOM 659 C ASP A 44 -8.698 3.343 4.733 1.00 0.00 C ATOM 660 O ASP A 44 -9.911 3.140 4.688 1.00 0.00 O ATOM 661 CB ASP A 44 -7.904 3.938 7.030 1.00 0.00 C ATOM 662 CG ASP A 44 -7.561 3.368 8.393 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.392 2.619 8.949 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.463 3.671 8.903 1.00 0.00 O ATOM 0 H ASP A 44 -5.802 3.201 5.970 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.312 1.954 6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.200 4.733 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.895 4.391 7.067 1.00 0.00 H new ATOM 669 N GLU A 45 -8.032 3.968 3.769 1.00 0.00 N ATOM 670 CA GLU A 45 -8.704 4.465 2.574 1.00 0.00 C ATOM 671 C GLU A 45 -9.456 3.341 1.866 1.00 0.00 C ATOM 672 O GLU A 45 -10.648 3.459 1.582 1.00 0.00 O ATOM 673 CB GLU A 45 -7.692 5.097 1.617 1.00 0.00 C ATOM 674 CG GLU A 45 -8.313 5.623 0.334 1.00 0.00 C ATOM 675 CD GLU A 45 -7.475 6.704 -0.320 1.00 0.00 C ATOM 676 OE1 GLU A 45 -6.249 6.731 -0.079 1.00 0.00 O ATOM 677 OE2 GLU A 45 -8.043 7.522 -1.073 1.00 0.00 O ATOM 0 H GLU A 45 -7.027 4.143 3.791 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.423 5.223 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.185 5.916 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.931 4.358 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.445 4.798 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.305 6.019 0.551 1.00 0.00 H new ATOM 684 N PHE A 46 -8.750 2.251 1.584 1.00 0.00 N ATOM 685 CA PHE A 46 -9.349 1.106 0.908 1.00 0.00 C ATOM 686 C PHE A 46 -9.576 -0.044 1.885 1.00 0.00 C ATOM 687 O PHE A 46 -10.008 -1.129 1.495 1.00 0.00 O ATOM 688 CB PHE A 46 -8.455 0.643 -0.244 1.00 0.00 C ATOM 689 CG PHE A 46 -7.920 1.771 -1.079 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.636 2.245 -2.167 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.702 2.357 -0.776 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.145 3.283 -2.937 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.206 3.395 -1.542 1.00 0.00 C ATOM 694 CZ PHE A 46 -6.929 3.859 -2.623 1.00 0.00 C ATOM 0 H PHE A 46 -7.763 2.136 1.813 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.315 1.415 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.619 0.074 0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.021 -0.034 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.587 1.799 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.133 1.998 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.711 3.643 -3.783 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.254 3.842 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.545 4.671 -3.222 1.00 0.00 H new ATOM 704 N LYS A 47 -9.282 0.201 3.157 1.00 0.00 N ATOM 705 CA LYS A 47 -9.454 -0.812 4.191 1.00 0.00 C ATOM 706 C LYS A 47 -8.579 -2.030 3.911 1.00 0.00 C ATOM 707 O LYS A 47 -9.065 -3.161 3.877 1.00 0.00 O ATOM 708 CB LYS A 47 -10.922 -1.234 4.281 1.00 0.00 C ATOM 709 CG LYS A 47 -11.884 -0.066 4.406 1.00 0.00 C ATOM 710 CD LYS A 47 -12.050 0.368 5.853 1.00 0.00 C ATOM 711 CE LYS A 47 -13.136 1.423 5.997 1.00 0.00 C ATOM 712 NZ LYS A 47 -12.878 2.330 7.150 1.00 0.00 N ATOM 0 H LYS A 47 -8.923 1.093 3.497 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.148 -0.379 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.180 -1.813 3.394 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.050 -1.893 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.518 0.773 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.854 -0.347 3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.298 -0.497 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.105 0.763 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.197 2.009 5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.102 0.935 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.640 3.035 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.845 1.774 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.968 2.815 7.013 1.00 0.00 H new ATOM 726 N VAL A 48 -7.287 -1.792 3.711 1.00 0.00 N ATOM 727 CA VAL A 48 -6.345 -2.870 3.436 1.00 0.00 C ATOM 728 C VAL A 48 -5.143 -2.801 4.372 1.00 0.00 C ATOM 729 O VAL A 48 -4.887 -1.771 4.996 1.00 0.00 O ATOM 730 CB VAL A 48 -5.850 -2.825 1.978 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.953 -3.261 1.026 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.352 -1.430 1.628 1.00 0.00 C ATOM 0 H VAL A 48 -6.869 -0.862 3.734 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.878 -3.806 3.602 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.017 -3.520 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.585 -3.223 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.258 -4.280 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.808 -2.593 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.006 -1.416 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.164 -0.713 1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.529 -1.161 2.290 1.00 0.00 H new ATOM 742 N ASP A 49 -4.408 -3.904 4.464 1.00 0.00 N ATOM 743 CA ASP A 49 -3.231 -3.969 5.323 1.00 0.00 C ATOM 744 C ASP A 49 -1.963 -4.150 4.494 1.00 0.00 C ATOM 745 O ASP A 49 -1.656 -5.254 4.043 1.00 0.00 O ATOM 746 CB ASP A 49 -3.368 -5.117 6.325 1.00 0.00 C ATOM 747 CG ASP A 49 -4.462 -4.868 7.344 1.00 0.00 C ATOM 748 OD1 ASP A 49 -4.857 -3.696 7.516 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.923 -5.846 7.970 1.00 0.00 O ATOM 0 H ASP A 49 -4.606 -4.765 3.954 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.156 -3.028 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.580 -6.041 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.419 -5.259 6.842 1.00 0.00 H new ATOM 754 N ILE A 50 -1.232 -3.058 4.296 1.00 0.00 N ATOM 755 CA ILE A 50 0.002 -3.096 3.522 1.00 0.00 C ATOM 756 C ILE A 50 1.178 -3.548 4.382 1.00 0.00 C ATOM 757 O ILE A 50 1.251 -3.227 5.568 1.00 0.00 O ATOM 758 CB ILE A 50 0.327 -1.720 2.911 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.885 -1.176 2.151 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.535 -1.820 1.992 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.821 0.314 1.899 1.00 0.00 C ATOM 0 H ILE A 50 -1.473 -2.137 4.661 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.154 -3.814 2.717 1.00 0.00 H new ATOM 0 HB ILE A 50 0.566 -1.028 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.967 -1.695 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.789 -1.402 2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.752 -0.839 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.397 -2.168 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.323 -2.524 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.712 0.630 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.770 0.842 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.065 0.545 1.308 1.00 0.00 H new ATOM 773 N ARG A 51 2.095 -4.294 3.775 1.00 0.00 N ATOM 774 CA ARG A 51 3.268 -4.790 4.486 1.00 0.00 C ATOM 775 C ARG A 51 4.542 -4.514 3.691 1.00 0.00 C ATOM 776 O ARG A 51 4.689 -4.971 2.557 1.00 0.00 O ATOM 777 CB ARG A 51 3.134 -6.290 4.750 1.00 0.00 C ATOM 778 CG ARG A 51 3.975 -6.781 5.917 1.00 0.00 C ATOM 779 CD ARG A 51 3.286 -6.523 7.248 1.00 0.00 C ATOM 780 NE ARG A 51 2.322 -7.570 7.577 1.00 0.00 N ATOM 781 CZ ARG A 51 1.911 -7.828 8.814 1.00 0.00 C ATOM 782 NH1 ARG A 51 2.376 -7.118 9.832 1.00 0.00 N ATOM 783 NH2 ARG A 51 1.032 -8.797 9.033 1.00 0.00 N ATOM 0 H ARG A 51 2.049 -4.568 2.794 1.00 0.00 H new ATOM 0 HA ARG A 51 3.334 -4.265 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.087 -6.524 4.944 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.421 -6.836 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.166 -7.848 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.944 -6.281 5.905 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.035 -6.459 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.777 -5.560 7.212 1.00 0.00 H new ATOM 0 HE ARG A 51 1.944 -8.134 6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.051 -6.371 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.059 -7.318 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.671 -9.345 8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.717 -8.995 9.983 1.00 0.00 H new ATOM 797 N PHE A 52 5.458 -3.765 4.294 1.00 0.00 N ATOM 798 CA PHE A 52 6.719 -3.427 3.643 1.00 0.00 C ATOM 799 C PHE A 52 7.779 -4.487 3.927 1.00 0.00 C ATOM 800 O PHE A 52 7.697 -5.238 4.899 1.00 0.00 O ATOM 801 CB PHE A 52 7.211 -2.058 4.116 1.00 0.00 C ATOM 802 CG PHE A 52 6.545 -0.907 3.417 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.317 -0.433 3.850 1.00 0.00 C ATOM 804 CD2 PHE A 52 7.147 -0.299 2.327 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.702 0.625 3.208 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.537 0.760 1.682 1.00 0.00 C ATOM 807 CZ PHE A 52 5.313 1.223 2.123 1.00 0.00 C ATOM 0 H PHE A 52 5.351 -3.380 5.233 1.00 0.00 H new ATOM 0 HA PHE A 52 6.545 -3.391 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.039 -1.970 5.189 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.288 -1.994 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.835 -0.896 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.104 -0.657 1.977 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.744 0.984 3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.017 1.225 0.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.835 2.051 1.621 1.00 0.00 H new ATOM 817 N PRO A 53 8.799 -4.551 3.058 1.00 0.00 N ATOM 818 CA PRO A 53 9.895 -5.515 3.193 1.00 0.00 C ATOM 819 C PRO A 53 10.798 -5.202 4.381 1.00 0.00 C ATOM 820 O PRO A 53 11.440 -4.153 4.424 1.00 0.00 O ATOM 821 CB PRO A 53 10.666 -5.362 1.880 1.00 0.00 C ATOM 822 CG PRO A 53 10.364 -3.976 1.423 1.00 0.00 C ATOM 823 CD PRO A 53 8.960 -3.687 1.877 1.00 0.00 C ATOM 0 HA PRO A 53 9.529 -6.526 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.736 -5.505 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.346 -6.100 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.067 -3.262 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.448 -3.895 0.339 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.827 -2.635 2.128 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.230 -3.924 1.103 1.00 0.00 H new ATOM 831 N GLN A 54 10.843 -6.119 5.342 1.00 0.00 N ATOM 832 CA GLN A 54 11.669 -5.940 6.531 1.00 0.00 C ATOM 833 C GLN A 54 13.150 -6.064 6.189 1.00 0.00 C ATOM 834 O GLN A 54 13.511 -6.561 5.122 1.00 0.00 O ATOM 835 CB GLN A 54 11.292 -6.967 7.599 1.00 0.00 C ATOM 836 CG GLN A 54 9.869 -6.816 8.113 1.00 0.00 C ATOM 837 CD GLN A 54 9.575 -5.416 8.615 1.00 0.00 C ATOM 838 OE1 GLN A 54 10.489 -4.625 8.852 1.00 0.00 O ATOM 839 NE2 GLN A 54 8.296 -5.102 8.780 1.00 0.00 N ATOM 0 H GLN A 54 10.318 -6.993 5.321 1.00 0.00 H new ATOM 0 HA GLN A 54 11.488 -4.938 6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.417 -7.969 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.983 -6.878 8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.170 -7.066 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.700 -7.530 8.919 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.571 -5.789 8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.038 -4.174 9.115 1.00 0.00 H new ATOM 848 N SER A 55 14.003 -5.610 7.101 1.00 0.00 N ATOM 849 CA SER A 55 15.445 -5.667 6.894 1.00 0.00 C ATOM 850 C SER A 55 15.842 -6.959 6.188 1.00 0.00 C ATOM 851 O SER A 55 16.430 -6.934 5.107 1.00 0.00 O ATOM 852 CB SER A 55 16.178 -5.558 8.232 1.00 0.00 C ATOM 853 OG SER A 55 17.545 -5.234 8.041 1.00 0.00 O ATOM 0 H SER A 55 13.721 -5.199 7.991 1.00 0.00 H new ATOM 0 HA SER A 55 15.730 -4.826 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.703 -4.795 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.097 -6.501 8.772 1.00 0.00 H new ATOM 0 HG SER A 55 17.990 -5.169 8.911 1.00 0.00 H new ATOM 859 N GLY A 56 15.516 -8.090 6.808 1.00 0.00 N ATOM 860 CA GLY A 56 15.846 -9.377 6.225 1.00 0.00 C ATOM 861 C GLY A 56 14.822 -9.830 5.203 1.00 0.00 C ATOM 862 O GLY A 56 14.409 -10.990 5.201 1.00 0.00 O ATOM 0 H GLY A 56 15.029 -8.137 7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.826 -9.317 5.751 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.920 -10.123 7.016 1.00 0.00 H new ATOM 866 N ALA A 57 14.411 -8.914 4.334 1.00 0.00 N ATOM 867 CA ALA A 57 13.429 -9.226 3.302 1.00 0.00 C ATOM 868 C ALA A 57 14.108 -9.508 1.966 1.00 0.00 C ATOM 869 O ALA A 57 15.119 -8.899 1.615 1.00 0.00 O ATOM 870 CB ALA A 57 12.433 -8.085 3.160 1.00 0.00 C ATOM 0 H ALA A 57 14.742 -7.949 4.323 1.00 0.00 H new ATOM 0 HA ALA A 57 12.893 -10.126 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.706 -8.331 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.917 -7.932 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.962 -7.173 2.884 1.00 0.00 H new ATOM 876 N PRO A 58 13.541 -10.452 1.201 1.00 0.00 N ATOM 877 CA PRO A 58 14.075 -10.836 -0.109 1.00 0.00 C ATOM 878 C PRO A 58 13.891 -9.741 -1.154 1.00 0.00 C ATOM 879 O PRO A 58 14.803 -9.448 -1.928 1.00 0.00 O ATOM 880 CB PRO A 58 13.252 -12.072 -0.479 1.00 0.00 C ATOM 881 CG PRO A 58 11.976 -11.917 0.274 1.00 0.00 C ATOM 882 CD PRO A 58 12.334 -11.218 1.556 1.00 0.00 C ATOM 0 HA PRO A 58 15.149 -11.017 -0.074 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.074 -12.122 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.768 -12.990 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.253 -11.336 -0.299 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.520 -12.887 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.530 -10.566 1.896 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.530 -11.928 2.360 1.00 0.00 H new ATOM 890 N ASP A 59 12.707 -9.139 -1.171 1.00 0.00 N ATOM 891 CA ASP A 59 12.404 -8.074 -2.120 1.00 0.00 C ATOM 892 C ASP A 59 12.156 -6.754 -1.396 1.00 0.00 C ATOM 893 O ASP A 59 11.033 -6.435 -1.004 1.00 0.00 O ATOM 894 CB ASP A 59 11.183 -8.445 -2.963 1.00 0.00 C ATOM 895 CG ASP A 59 11.463 -9.592 -3.914 1.00 0.00 C ATOM 896 OD1 ASP A 59 12.604 -9.685 -4.411 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.540 -10.397 -4.161 1.00 0.00 O ATOM 0 H ASP A 59 11.941 -9.370 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 59 13.265 -7.951 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.359 -8.717 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.861 -7.574 -3.534 1.00 0.00 H new ATOM 902 N PRO A 60 13.228 -5.969 -1.212 1.00 0.00 N ATOM 903 CA PRO A 60 13.152 -4.672 -0.533 1.00 0.00 C ATOM 904 C PRO A 60 12.407 -3.629 -1.359 1.00 0.00 C ATOM 905 O PRO A 60 12.209 -2.499 -0.915 1.00 0.00 O ATOM 906 CB PRO A 60 14.620 -4.273 -0.365 1.00 0.00 C ATOM 907 CG PRO A 60 15.335 -4.992 -1.456 1.00 0.00 C ATOM 908 CD PRO A 60 14.596 -6.287 -1.652 1.00 0.00 C ATOM 0 HA PRO A 60 12.603 -4.735 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 60 14.749 -3.194 -0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 60 14.999 -4.563 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.341 -4.403 -2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.376 -5.173 -1.187 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.619 -6.609 -2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 60 15.032 -7.092 -1.060 1.00 0.00 H new ATOM 916 N ASN A 61 11.996 -4.016 -2.562 1.00 0.00 N ATOM 917 CA ASN A 61 11.273 -3.113 -3.450 1.00 0.00 C ATOM 918 C ASN A 61 9.854 -3.616 -3.699 1.00 0.00 C ATOM 919 O ASN A 61 9.172 -3.151 -4.613 1.00 0.00 O ATOM 920 CB ASN A 61 12.016 -2.968 -4.780 1.00 0.00 C ATOM 921 CG ASN A 61 12.731 -4.243 -5.184 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.121 -5.165 -5.725 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.032 -4.299 -4.922 1.00 0.00 N ATOM 0 H ASN A 61 12.151 -4.949 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 61 11.214 -2.138 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.308 -2.689 -5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.740 -2.157 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.567 -5.131 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.496 -3.510 -4.472 1.00 0.00 H new ATOM 930 N CYS A 62 9.418 -4.568 -2.882 1.00 0.00 N ATOM 931 CA CYS A 62 8.080 -5.134 -3.014 1.00 0.00 C ATOM 932 C CYS A 62 7.322 -5.050 -1.693 1.00 0.00 C ATOM 933 O CYS A 62 7.890 -5.271 -0.624 1.00 0.00 O ATOM 934 CB CYS A 62 8.164 -6.590 -3.476 1.00 0.00 C ATOM 935 SG CYS A 62 6.595 -7.269 -4.063 1.00 0.00 S ATOM 0 H CYS A 62 9.971 -4.964 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 62 7.538 -4.554 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.902 -6.665 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.526 -7.202 -2.650 1.00 0.00 H new ATOM 0 HG CYS A 62 6.056 -7.990 -3.125 1.00 0.00 H new ATOM 941 N VAL A 63 6.035 -4.727 -1.776 1.00 0.00 N ATOM 942 CA VAL A 63 5.198 -4.612 -0.587 1.00 0.00 C ATOM 943 C VAL A 63 4.027 -5.587 -0.644 1.00 0.00 C ATOM 944 O VAL A 63 3.264 -5.603 -1.611 1.00 0.00 O ATOM 945 CB VAL A 63 4.653 -3.182 -0.420 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.795 -2.177 -0.377 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.681 -2.848 -1.541 1.00 0.00 C ATOM 0 H VAL A 63 5.550 -4.540 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 63 5.828 -4.854 0.269 1.00 0.00 H new ATOM 0 HB VAL A 63 4.114 -3.125 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.391 -1.172 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.450 -2.406 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.364 -2.232 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.306 -1.833 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.193 -2.922 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.847 -3.549 -1.520 1.00 0.00 H new ATOM 957 N THR A 64 3.889 -6.399 0.399 1.00 0.00 N ATOM 958 CA THR A 64 2.811 -7.378 0.468 1.00 0.00 C ATOM 959 C THR A 64 1.532 -6.750 1.011 1.00 0.00 C ATOM 960 O THR A 64 1.429 -6.457 2.202 1.00 0.00 O ATOM 961 CB THR A 64 3.197 -8.577 1.355 1.00 0.00 C ATOM 962 OG1 THR A 64 4.284 -9.295 0.762 1.00 0.00 O ATOM 963 CG2 THR A 64 2.011 -9.510 1.549 1.00 0.00 C ATOM 0 H THR A 64 4.510 -6.398 1.208 1.00 0.00 H new ATOM 0 HA THR A 64 2.637 -7.729 -0.549 1.00 0.00 H new ATOM 0 HB THR A 64 3.503 -8.197 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.524 -10.054 1.333 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.307 -10.349 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.196 -8.967 2.028 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.679 -9.883 0.580 1.00 0.00 H new ATOM 971 N VAL A 65 0.559 -6.545 0.129 1.00 0.00 N ATOM 972 CA VAL A 65 -0.715 -5.953 0.520 1.00 0.00 C ATOM 973 C VAL A 65 -1.759 -7.029 0.797 1.00 0.00 C ATOM 974 O VAL A 65 -1.901 -7.984 0.032 1.00 0.00 O ATOM 975 CB VAL A 65 -1.249 -5.002 -0.567 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.567 -4.379 -0.131 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.221 -3.927 -0.886 1.00 0.00 C ATOM 0 H VAL A 65 0.629 -6.780 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.533 -5.384 1.432 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.430 -5.579 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.929 -3.710 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.301 -5.166 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.416 -3.815 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.615 -3.264 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.006 -3.351 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.696 -4.395 -1.245 1.00 0.00 H new ATOM 987 N THR A 66 -2.491 -6.868 1.895 1.00 0.00 N ATOM 988 CA THR A 66 -3.522 -7.826 2.274 1.00 0.00 C ATOM 989 C THR A 66 -4.914 -7.221 2.128 1.00 0.00 C ATOM 990 O THR A 66 -5.085 -6.005 2.209 1.00 0.00 O ATOM 991 CB THR A 66 -3.335 -8.309 3.724 1.00 0.00 C ATOM 992 OG1 THR A 66 -1.943 -8.507 3.999 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.093 -9.606 3.964 1.00 0.00 C ATOM 0 H THR A 66 -2.389 -6.083 2.538 1.00 0.00 H new ATOM 0 HA THR A 66 -3.425 -8.677 1.600 1.00 0.00 H new ATOM 0 HB THR A 66 -3.732 -7.545 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.832 -8.812 4.924 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.946 -9.928 4.995 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.156 -9.445 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.721 -10.375 3.287 1.00 0.00 H new ATOM 1001 N GLY A 67 -5.907 -8.078 1.912 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.272 -7.609 1.759 1.00 0.00 C ATOM 1003 C GLY A 67 -7.953 -8.196 0.539 1.00 0.00 C ATOM 1004 O GLY A 67 -7.301 -8.795 -0.317 1.00 0.00 O ATOM 0 H GLY A 67 -5.791 -9.089 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.844 -7.868 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.273 -6.522 1.684 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.268 -8.026 0.459 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.040 -8.545 -0.666 1.00 0.00 C ATOM 1010 C LEU A 68 -9.339 -8.250 -1.988 1.00 0.00 C ATOM 1011 O LEU A 68 -8.616 -7.264 -2.130 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.443 -7.935 -0.671 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.424 -8.500 0.356 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.599 -9.998 0.160 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -11.949 -8.198 1.770 1.00 0.00 C ATOM 0 H LEU A 68 -9.822 -7.533 1.159 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.121 -9.626 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.351 -6.862 -0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.872 -8.068 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.391 -8.019 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.301 -10.382 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.985 -10.191 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.637 -10.496 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.660 -8.608 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -10.970 -8.651 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.876 -7.119 1.907 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.560 -9.124 -2.982 1.00 0.00 N ATOM 1028 CA PRO A 69 -8.961 -8.977 -4.312 1.00 0.00 C ATOM 1029 C PRO A 69 -9.547 -7.801 -5.085 1.00 0.00 C ATOM 1030 O PRO A 69 -8.937 -7.302 -6.030 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.308 -10.298 -5.004 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.535 -10.778 -4.311 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.410 -10.322 -2.884 1.00 0.00 C ATOM 0 HA PRO A 69 -7.891 -8.776 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.487 -10.152 -6.069 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.495 -11.018 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.431 -10.367 -4.775 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.616 -11.863 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.382 -10.090 -2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.955 -11.088 -2.256 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.733 -7.362 -4.676 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.401 -6.243 -5.332 1.00 0.00 C ATOM 1043 C GLU A 70 -10.931 -4.913 -4.751 1.00 0.00 C ATOM 1044 O GLU A 70 -10.948 -3.887 -5.430 1.00 0.00 O ATOM 1045 CB GLU A 70 -12.919 -6.369 -5.184 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.385 -6.455 -3.741 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.890 -6.591 -3.621 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.456 -7.503 -4.259 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.502 -5.786 -2.888 1.00 0.00 O ATOM 0 H GLU A 70 -11.251 -7.763 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.143 -6.269 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.394 -5.511 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.255 -7.257 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.907 -7.308 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.061 -5.563 -3.205 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.511 -4.940 -3.490 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.037 -3.736 -2.817 1.00 0.00 C ATOM 1058 C ASN A 71 -8.546 -3.528 -3.061 1.00 0.00 C ATOM 1059 O ASN A 71 -8.107 -2.425 -3.388 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.312 -3.825 -1.314 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.795 -3.802 -0.995 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.597 -3.269 -1.761 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.164 -4.383 0.140 1.00 0.00 N ATOM 0 H ASN A 71 -10.489 -5.782 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.577 -2.883 -3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.873 -4.742 -0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.821 -2.994 -0.808 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.148 -4.400 0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.463 -4.813 0.744 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.770 -4.595 -2.899 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.328 -4.531 -3.103 1.00 0.00 C ATOM 1072 C VAL A 72 -5.989 -3.823 -4.411 1.00 0.00 C ATOM 1073 O VAL A 72 -5.223 -2.861 -4.426 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.700 -5.937 -3.115 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.204 -5.851 -3.376 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.980 -6.657 -1.805 1.00 0.00 C ATOM 0 H VAL A 72 -8.116 -5.515 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.915 -3.964 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.153 -6.511 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.777 -6.854 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.030 -5.378 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.731 -5.259 -2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.529 -7.649 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.555 -6.087 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.057 -6.752 -1.665 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.566 -4.308 -5.506 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.324 -3.721 -6.819 1.00 0.00 C ATOM 1088 C GLU A 73 -6.428 -2.200 -6.762 1.00 0.00 C ATOM 1089 O GLU A 73 -5.566 -1.490 -7.279 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.321 -4.274 -7.840 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.746 -3.793 -7.622 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.734 -4.453 -8.564 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -10.124 -5.609 -8.301 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -10.118 -3.811 -9.564 1.00 0.00 O ATOM 0 H GLU A 73 -7.203 -5.104 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.313 -3.987 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.999 -3.988 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.304 -5.363 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.040 -3.995 -6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.786 -2.712 -7.758 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.490 -1.708 -6.132 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.707 -0.271 -6.009 1.00 0.00 C ATOM 1103 C GLU A 74 -6.554 0.391 -5.261 1.00 0.00 C ATOM 1104 O GLU A 74 -6.087 1.464 -5.643 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.026 0.008 -5.286 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.242 -0.046 -6.196 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.315 1.137 -7.142 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -10.479 2.275 -6.657 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -10.208 0.923 -8.368 1.00 0.00 O ATOM 0 H GLU A 74 -8.213 -2.283 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.755 0.151 -7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.151 -0.718 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.974 0.992 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.217 -0.969 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.146 -0.076 -5.587 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.100 -0.256 -4.193 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.001 0.269 -3.392 1.00 0.00 C ATOM 1118 C ALA A 75 -3.723 0.375 -4.216 1.00 0.00 C ATOM 1119 O ALA A 75 -3.063 1.415 -4.223 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.773 -0.609 -2.170 1.00 0.00 C ATOM 0 H ALA A 75 -6.476 -1.145 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.272 1.271 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.950 -0.206 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.678 -0.629 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.528 -1.622 -2.490 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.379 -0.706 -4.908 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.179 -0.733 -5.736 1.00 0.00 C ATOM 1128 C ILE A 76 -2.083 0.516 -6.605 1.00 0.00 C ATOM 1129 O ILE A 76 -1.097 1.251 -6.547 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.148 -1.978 -6.641 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.108 -3.251 -5.792 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.950 -1.922 -7.577 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.132 -4.523 -6.610 1.00 0.00 C ATOM 0 H ILE A 76 -3.914 -1.574 -4.912 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.327 -0.766 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.056 -1.994 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.208 -3.240 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.959 -3.251 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.942 -2.809 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.017 -1.031 -8.201 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.032 -1.886 -6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.101 -5.385 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.045 -4.556 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.267 -4.546 -7.273 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.114 0.752 -7.408 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.148 1.914 -8.289 1.00 0.00 C ATOM 1147 C ASP A 77 -2.746 3.178 -7.535 1.00 0.00 C ATOM 1148 O ASP A 77 -2.085 4.059 -8.087 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.544 2.086 -8.889 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.548 3.006 -10.093 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -3.589 2.943 -10.891 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -5.509 3.789 -10.238 1.00 0.00 O ATOM 0 H ASP A 77 -3.938 0.154 -7.467 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.433 1.749 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.934 1.111 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.216 2.484 -8.129 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.149 3.261 -6.271 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.830 4.418 -5.442 1.00 0.00 C ATOM 1159 C HIS A 78 -1.364 4.398 -5.021 1.00 0.00 C ATOM 1160 O HIS A 78 -0.739 5.448 -4.866 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.728 4.447 -4.204 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.386 5.543 -3.242 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.192 6.642 -3.036 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.318 5.703 -2.426 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.634 7.432 -2.136 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.496 6.885 -1.750 1.00 0.00 N ATOM 0 H HIS A 78 -3.697 2.542 -5.799 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.007 5.317 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.765 4.562 -4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.656 3.488 -3.690 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.080 6.818 -3.505 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.482 5.027 -2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.040 8.366 -1.777 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.822 3.199 -4.839 1.00 0.00 N ATOM 1175 CA ILE A 79 0.570 3.044 -4.437 1.00 0.00 C ATOM 1176 C ILE A 79 1.516 3.438 -5.567 1.00 0.00 C ATOM 1177 O ILE A 79 2.333 4.347 -5.418 1.00 0.00 O ATOM 1178 CB ILE A 79 0.875 1.596 -4.009 1.00 0.00 C ATOM 1179 CG1 ILE A 79 -0.017 1.190 -2.834 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.344 1.450 -3.642 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.175 -0.246 -2.398 1.00 0.00 C ATOM 0 H ILE A 79 -1.326 2.321 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 79 0.728 3.707 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 79 0.663 0.933 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.187 1.848 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.060 1.341 -3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.544 0.421 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.961 1.703 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.581 2.121 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.489 -0.464 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.057 -0.913 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.209 -0.397 -2.089 1.00 0.00 H new ATOM 1193 N LEU A 80 1.398 2.749 -6.696 1.00 0.00 N ATOM 1194 CA LEU A 80 2.241 3.027 -7.854 1.00 0.00 C ATOM 1195 C LEU A 80 2.115 4.486 -8.281 1.00 0.00 C ATOM 1196 O LEU A 80 3.057 5.071 -8.814 1.00 0.00 O ATOM 1197 CB LEU A 80 1.864 2.109 -9.018 1.00 0.00 C ATOM 1198 CG LEU A 80 2.611 0.777 -9.092 1.00 0.00 C ATOM 1199 CD1 LEU A 80 2.027 -0.102 -10.186 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.096 1.012 -9.329 1.00 0.00 C ATOM 0 H LEU A 80 0.727 1.994 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 80 3.277 2.838 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.796 1.901 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.032 2.649 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 80 2.492 0.262 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.571 -1.046 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.976 -0.298 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.114 0.406 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.613 0.054 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.234 1.548 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.506 1.603 -8.510 1.00 0.00 H new ATOM 1212 N ASN A 81 0.945 5.069 -8.040 1.00 0.00 N ATOM 1213 CA ASN A 81 0.697 6.461 -8.398 1.00 0.00 C ATOM 1214 C ASN A 81 1.686 7.388 -7.698 1.00 0.00 C ATOM 1215 O ASN A 81 2.349 8.204 -8.340 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.735 6.855 -8.031 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.886 8.349 -7.813 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.167 9.150 -8.411 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.823 8.729 -6.953 1.00 0.00 N ATOM 0 H ASN A 81 0.154 4.599 -7.599 1.00 0.00 H new ATOM 0 HA ASN A 81 0.831 6.563 -9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.411 6.536 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.034 6.326 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.971 9.721 -6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.395 8.029 -6.480 1.00 0.00 H new ATOM 1226 N LEU A 82 1.783 7.255 -6.380 1.00 0.00 N ATOM 1227 CA LEU A 82 2.692 8.080 -5.593 1.00 0.00 C ATOM 1228 C LEU A 82 4.140 7.847 -6.012 1.00 0.00 C ATOM 1229 O LEU A 82 4.891 8.795 -6.239 1.00 0.00 O ATOM 1230 CB LEU A 82 2.526 7.777 -4.102 1.00 0.00 C ATOM 1231 CG LEU A 82 1.129 8.005 -3.523 1.00 0.00 C ATOM 1232 CD1 LEU A 82 1.085 7.594 -2.059 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.717 9.461 -3.683 1.00 0.00 C ATOM 0 H LEU A 82 1.243 6.584 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 82 2.444 9.126 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.804 6.737 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.233 8.392 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 82 0.422 7.386 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.083 7.763 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.337 6.537 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.803 8.187 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.280 9.605 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.427 10.100 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.708 9.723 -4.741 1.00 0.00 H new ATOM 1245 N GLU A 83 4.524 6.578 -6.115 1.00 0.00 N ATOM 1246 CA GLU A 83 5.882 6.221 -6.509 1.00 0.00 C ATOM 1247 C GLU A 83 6.431 7.214 -7.529 1.00 0.00 C ATOM 1248 O GLU A 83 7.518 7.763 -7.353 1.00 0.00 O ATOM 1249 CB GLU A 83 5.913 4.806 -7.089 1.00 0.00 C ATOM 1250 CG GLU A 83 7.243 4.438 -7.727 1.00 0.00 C ATOM 1251 CD GLU A 83 7.308 4.809 -9.196 1.00 0.00 C ATOM 1252 OE1 GLU A 83 7.608 5.982 -9.498 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.058 3.925 -10.042 1.00 0.00 O ATOM 0 H GLU A 83 3.914 5.781 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 83 6.512 6.255 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.690 4.092 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.123 4.711 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.049 4.941 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.409 3.366 -7.619 1.00 0.00 H new ATOM 1260 N GLU A 84 5.671 7.436 -8.597 1.00 0.00 N ATOM 1261 CA GLU A 84 6.083 8.361 -9.647 1.00 0.00 C ATOM 1262 C GLU A 84 6.175 9.787 -9.111 1.00 0.00 C ATOM 1263 O GLU A 84 7.127 10.510 -9.402 1.00 0.00 O ATOM 1264 CB GLU A 84 5.100 8.308 -10.818 1.00 0.00 C ATOM 1265 CG GLU A 84 5.615 8.986 -12.077 1.00 0.00 C ATOM 1266 CD GLU A 84 4.597 8.982 -13.200 1.00 0.00 C ATOM 1267 OE1 GLU A 84 3.679 8.136 -13.167 1.00 0.00 O ATOM 1268 OE2 GLU A 84 4.718 9.825 -14.114 1.00 0.00 O ATOM 0 H GLU A 84 4.768 6.989 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 84 7.070 8.058 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.873 7.266 -11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.165 8.780 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.890 10.015 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.522 8.482 -12.412 1.00 0.00 H new ATOM 1275 N GLU A 85 5.177 10.184 -8.327 1.00 0.00 N ATOM 1276 CA GLU A 85 5.145 11.523 -7.751 1.00 0.00 C ATOM 1277 C GLU A 85 6.371 11.769 -6.877 1.00 0.00 C ATOM 1278 O GLU A 85 6.911 12.875 -6.842 1.00 0.00 O ATOM 1279 CB GLU A 85 3.871 11.718 -6.927 1.00 0.00 C ATOM 1280 CG GLU A 85 2.609 11.262 -7.640 1.00 0.00 C ATOM 1281 CD GLU A 85 1.375 12.016 -7.184 1.00 0.00 C ATOM 1282 OE1 GLU A 85 1.056 11.956 -5.978 1.00 0.00 O ATOM 1283 OE2 GLU A 85 0.730 12.667 -8.032 1.00 0.00 O ATOM 0 H GLU A 85 4.381 9.598 -8.077 1.00 0.00 H new ATOM 0 HA GLU A 85 5.153 12.243 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.967 11.170 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.772 12.773 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.735 11.396 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.463 10.196 -7.466 1.00 0.00 H new ATOM 1290 N TYR A 86 6.806 10.731 -6.172 1.00 0.00 N ATOM 1291 CA TYR A 86 7.966 10.834 -5.295 1.00 0.00 C ATOM 1292 C TYR A 86 9.260 10.842 -6.103 1.00 0.00 C ATOM 1293 O TYR A 86 10.086 11.745 -5.966 1.00 0.00 O ATOM 1294 CB TYR A 86 7.982 9.674 -4.297 1.00 0.00 C ATOM 1295 CG TYR A 86 6.959 9.812 -3.193 1.00 0.00 C ATOM 1296 CD1 TYR A 86 5.638 10.136 -3.480 1.00 0.00 C ATOM 1297 CD2 TYR A 86 7.312 9.619 -1.863 1.00 0.00 C ATOM 1298 CE1 TYR A 86 4.699 10.263 -2.475 1.00 0.00 C ATOM 1299 CE2 TYR A 86 6.379 9.743 -0.852 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.074 10.065 -1.162 1.00 0.00 C ATOM 1301 OH TYR A 86 4.143 10.191 -0.157 1.00 0.00 O ATOM 0 H TYR A 86 6.372 9.808 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 86 7.894 11.774 -4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.802 8.742 -4.833 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.975 9.601 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.341 10.291 -4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.333 9.368 -1.616 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.677 10.516 -2.716 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.670 9.589 0.177 1.00 0.00 H new ATOM 0 HH TYR A 86 4.570 10.018 0.708 1.00 0.00 H new ATOM 1311 N LEU A 87 9.430 9.829 -6.946 1.00 0.00 N ATOM 1312 CA LEU A 87 10.623 9.718 -7.778 1.00 0.00 C ATOM 1313 C LEU A 87 10.798 10.959 -8.648 1.00 0.00 C ATOM 1314 O LEU A 87 11.920 11.385 -8.919 1.00 0.00 O ATOM 1315 CB LEU A 87 10.539 8.471 -8.660 1.00 0.00 C ATOM 1316 CG LEU A 87 10.806 7.136 -7.962 1.00 0.00 C ATOM 1317 CD1 LEU A 87 10.556 5.977 -8.915 1.00 0.00 C ATOM 1318 CD2 LEU A 87 12.228 7.090 -7.425 1.00 0.00 C ATOM 0 H LEU A 87 8.757 9.073 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 87 11.488 9.633 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.545 8.432 -9.107 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.252 8.580 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 87 10.119 7.043 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.751 5.035 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.519 5.999 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.218 6.065 -9.776 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.400 6.133 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.932 7.205 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.373 7.899 -6.709 1.00 0.00 H new ATOM 1330 N ALA A 88 9.681 11.534 -9.080 1.00 0.00 N ATOM 1331 CA ALA A 88 9.710 12.728 -9.915 1.00 0.00 C ATOM 1332 C ALA A 88 10.545 13.829 -9.270 1.00 0.00 C ATOM 1333 O ALA A 88 11.110 14.678 -9.959 1.00 0.00 O ATOM 1334 CB ALA A 88 8.296 13.222 -10.180 1.00 0.00 C ATOM 0 H ALA A 88 8.744 11.192 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 88 10.175 12.465 -10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.333 14.114 -10.805 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.729 12.444 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.811 13.462 -9.234 1.00 0.00 H new