USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : no HE2:sc= -0.211 K(o=0.64,f=-4.5) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -145:sc= 0.847 (180deg=-0.171) USER MOD Set 2.1: A 58 THR OG1 : rot -85:sc= 1.64 USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0.975 USER MOD Set 3.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -117:sc= 0.0557 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.4!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 46:sc= 1.22 USER MOD Single : A 29 THR OG1 : rot 159:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -10:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= 0.105 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.9!) USER MOD Single : A 44 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.31) USER MOD Single : A 47 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.066) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 62:sc= 1.19 USER MOD Single : A 67 SER OG : rot 97:sc= 1.23 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -171:sc= -0.639 (180deg=-0.908) USER MOD Single : A 87 GLN : amide:sc= -1.02 X(o=-1,f=-0.97) USER MOD Single : A 91 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.7!) USER MOD Single : A 94 HIS : no HE2:sc= 1.01 K(o=1,f=-3.4!) USER MOD Single : A 95 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.303 -13.862 -4.733 1.00 0.00 N ATOM 172 CA ILE A 17 -4.897 -13.489 -4.904 1.00 0.00 C ATOM 173 C ILE A 17 -4.067 -14.682 -5.403 1.00 0.00 C ATOM 174 O ILE A 17 -3.173 -14.478 -6.219 1.00 0.00 O ATOM 175 CB ILE A 17 -4.331 -12.815 -3.627 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.865 -12.335 -3.778 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.442 -13.728 -2.390 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.631 -11.255 -4.845 1.00 0.00 C ATOM 0 HA ILE A 17 -4.827 -12.732 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.956 -11.934 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.526 -11.951 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.241 -13.197 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.033 -13.214 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.489 -13.970 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.882 -14.647 -2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.574 -10.990 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.932 -11.636 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.221 -10.371 -4.603 1.00 0.00 H new ATOM 190 N GLN A 18 -4.384 -15.921 -4.995 1.00 0.00 N ATOM 191 CA GLN A 18 -3.674 -17.101 -5.485 1.00 0.00 C ATOM 192 C GLN A 18 -3.758 -17.205 -7.012 1.00 0.00 C ATOM 193 O GLN A 18 -2.783 -17.600 -7.647 1.00 0.00 O ATOM 194 CB GLN A 18 -4.223 -18.401 -4.874 1.00 0.00 C ATOM 195 CG GLN A 18 -3.841 -18.642 -3.404 1.00 0.00 C ATOM 196 CD GLN A 18 -3.776 -20.135 -3.034 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.594 -21.019 -3.861 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.850 -20.484 -1.758 1.00 0.00 N ATOM 0 H GLN A 18 -5.128 -16.126 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.635 -16.978 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.310 -18.391 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.867 -19.242 -5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.873 -18.182 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.567 -18.145 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.001 -19.773 -1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.756 -21.464 -1.491 1.00 0.00 H new ATOM 207 N GLU A 19 -4.905 -16.877 -7.607 1.00 0.00 N ATOM 208 CA GLU A 19 -5.120 -16.918 -9.042 1.00 0.00 C ATOM 209 C GLU A 19 -4.229 -15.886 -9.715 1.00 0.00 C ATOM 210 O GLU A 19 -3.477 -16.222 -10.621 1.00 0.00 O ATOM 211 CB GLU A 19 -6.600 -16.671 -9.353 1.00 0.00 C ATOM 212 CG GLU A 19 -6.917 -16.995 -10.816 1.00 0.00 C ATOM 213 CD GLU A 19 -8.418 -17.018 -11.048 1.00 0.00 C ATOM 214 OE1 GLU A 19 -9.023 -15.941 -11.254 1.00 0.00 O ATOM 215 OE2 GLU A 19 -9.021 -18.124 -10.996 1.00 0.00 O ATOM 0 H GLU A 19 -5.726 -16.569 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.857 -17.902 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.220 -17.284 -8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.850 -15.631 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.455 -16.252 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.488 -17.962 -11.081 1.00 0.00 H new ATOM 222 N ILE A 20 -4.252 -14.641 -9.240 1.00 0.00 N ATOM 223 CA ILE A 20 -3.419 -13.584 -9.792 1.00 0.00 C ATOM 224 C ILE A 20 -1.939 -13.953 -9.662 1.00 0.00 C ATOM 225 O ILE A 20 -1.178 -13.727 -10.597 1.00 0.00 O ATOM 226 CB ILE A 20 -3.754 -12.240 -9.119 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.251 -11.867 -9.207 1.00 0.00 C ATOM 228 CG2 ILE A 20 -2.896 -11.129 -9.729 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.854 -11.887 -10.617 1.00 0.00 C ATOM 0 H ILE A 20 -4.846 -14.342 -8.467 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.627 -13.472 -10.856 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.528 -12.352 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.817 -12.555 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.384 -10.870 -8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.136 -10.180 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.841 -11.357 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.099 -11.058 -10.798 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.907 -11.611 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.323 -11.177 -11.250 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.761 -12.888 -11.038 1.00 0.00 H new ATOM 241 N VAL A 21 -1.506 -14.551 -8.556 1.00 0.00 N ATOM 242 CA VAL A 21 -0.131 -15.018 -8.415 1.00 0.00 C ATOM 243 C VAL A 21 0.150 -16.132 -9.426 1.00 0.00 C ATOM 244 O VAL A 21 1.233 -16.187 -10.003 1.00 0.00 O ATOM 245 CB VAL A 21 0.096 -15.469 -6.965 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.476 -16.091 -6.744 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.036 -14.292 -5.991 1.00 0.00 C ATOM 0 H VAL A 21 -2.092 -14.724 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 21 0.571 -14.212 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.671 -16.220 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.577 -16.390 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.588 -16.966 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.248 -15.361 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.130 -14.642 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.704 -13.531 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.036 -13.865 -6.070 1.00 0.00 H new ATOM 257 N ALA A 22 -0.827 -16.999 -9.671 1.00 0.00 N ATOM 258 CA ALA A 22 -0.708 -18.119 -10.592 1.00 0.00 C ATOM 259 C ALA A 22 -0.589 -17.640 -12.044 1.00 0.00 C ATOM 260 O ALA A 22 0.079 -18.301 -12.839 1.00 0.00 O ATOM 261 CB ALA A 22 -1.901 -19.062 -10.400 1.00 0.00 C ATOM 0 H ALA A 22 -1.742 -16.940 -9.224 1.00 0.00 H new ATOM 0 HA ALA A 22 0.209 -18.666 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.815 -19.902 -11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.911 -19.432 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.827 -18.523 -10.600 1.00 0.00 H new ATOM 267 N MET A 23 -1.209 -16.508 -12.392 1.00 0.00 N ATOM 268 CA MET A 23 -1.047 -15.837 -13.680 1.00 0.00 C ATOM 269 C MET A 23 0.079 -14.786 -13.669 1.00 0.00 C ATOM 270 O MET A 23 0.386 -14.249 -14.734 1.00 0.00 O ATOM 271 CB MET A 23 -2.383 -15.255 -14.196 1.00 0.00 C ATOM 272 CG MET A 23 -3.216 -14.492 -13.179 1.00 0.00 C ATOM 273 SD MET A 23 -4.186 -13.098 -13.820 1.00 0.00 S ATOM 274 CE MET A 23 -5.480 -14.013 -14.690 1.00 0.00 C ATOM 0 H MET A 23 -1.853 -16.023 -11.768 1.00 0.00 H new ATOM 0 HA MET A 23 -0.735 -16.604 -14.389 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.167 -14.589 -15.032 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.986 -16.074 -14.588 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.899 -15.194 -12.701 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.549 -14.117 -12.403 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.175 -13.311 -15.151 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.029 -14.636 -15.462 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.018 -14.644 -13.982 1.00 0.00 H new ATOM 284 N SER A 24 0.735 -14.497 -12.540 1.00 0.00 N ATOM 285 CA SER A 24 1.852 -13.554 -12.517 1.00 0.00 C ATOM 286 C SER A 24 3.060 -14.167 -13.243 1.00 0.00 C ATOM 287 O SER A 24 3.284 -15.377 -13.120 1.00 0.00 O ATOM 288 CB SER A 24 2.215 -13.175 -11.075 1.00 0.00 C ATOM 289 OG SER A 24 1.145 -12.472 -10.477 1.00 0.00 O ATOM 0 H SER A 24 0.510 -14.904 -11.632 1.00 0.00 H new ATOM 0 HA SER A 24 1.556 -12.641 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.438 -14.073 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.115 -12.560 -11.067 1.00 0.00 H new ATOM 0 HG SER A 24 0.302 -12.932 -10.672 1.00 0.00 H new ATOM 295 N PRO A 25 3.828 -13.379 -14.013 1.00 0.00 N ATOM 296 CA PRO A 25 5.118 -13.782 -14.554 1.00 0.00 C ATOM 297 C PRO A 25 6.181 -13.814 -13.443 1.00 0.00 C ATOM 298 O PRO A 25 5.876 -13.563 -12.277 1.00 0.00 O ATOM 299 CB PRO A 25 5.407 -12.769 -15.661 1.00 0.00 C ATOM 300 CG PRO A 25 4.809 -11.484 -15.105 1.00 0.00 C ATOM 301 CD PRO A 25 3.577 -11.981 -14.347 1.00 0.00 C ATOM 0 HA PRO A 25 5.124 -14.793 -14.961 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.476 -12.669 -15.849 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.942 -13.057 -16.604 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.506 -10.965 -14.447 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.541 -10.787 -15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.413 -11.391 -13.445 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.680 -11.884 -14.959 1.00 0.00 H new ATOM 309 N GLU A 26 7.418 -14.195 -13.774 1.00 0.00 N ATOM 310 CA GLU A 26 8.529 -14.161 -12.840 1.00 0.00 C ATOM 311 C GLU A 26 8.756 -12.713 -12.379 1.00 0.00 C ATOM 312 O GLU A 26 9.104 -11.833 -13.172 1.00 0.00 O ATOM 313 CB GLU A 26 9.782 -14.799 -13.470 1.00 0.00 C ATOM 314 CG GLU A 26 10.421 -15.796 -12.514 1.00 0.00 C ATOM 315 CD GLU A 26 11.761 -16.342 -13.005 1.00 0.00 C ATOM 316 OE1 GLU A 26 12.760 -15.585 -13.043 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.830 -17.552 -13.315 1.00 0.00 O ATOM 0 H GLU A 26 7.670 -14.536 -14.702 1.00 0.00 H new ATOM 0 HA GLU A 26 8.299 -14.755 -11.955 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.512 -15.301 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.502 -14.021 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.566 -15.316 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.734 -16.628 -12.358 1.00 0.00 H new ATOM 324 N LEU A 27 8.520 -12.452 -11.095 1.00 0.00 N ATOM 325 CA LEU A 27 8.564 -11.127 -10.488 1.00 0.00 C ATOM 326 C LEU A 27 9.855 -11.004 -9.690 1.00 0.00 C ATOM 327 O LEU A 27 10.171 -11.885 -8.885 1.00 0.00 O ATOM 328 CB LEU A 27 7.311 -10.928 -9.640 1.00 0.00 C ATOM 329 CG LEU A 27 6.349 -9.899 -10.247 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.843 -10.261 -11.647 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.159 -9.805 -9.307 1.00 0.00 C ATOM 0 H LEU A 27 8.285 -13.185 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 27 8.568 -10.337 -11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.795 -11.882 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.600 -10.605 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 27 6.890 -8.959 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.169 -9.482 -12.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.689 -10.348 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.310 -11.211 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.443 -9.082 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.681 -10.781 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.498 -9.484 -8.322 1.00 0.00 H new ATOM 343 N ASP A 28 10.654 -9.973 -9.958 1.00 0.00 N ATOM 344 CA ASP A 28 11.953 -9.789 -9.315 1.00 0.00 C ATOM 345 C ASP A 28 11.765 -9.305 -7.882 1.00 0.00 C ATOM 346 O ASP A 28 11.606 -8.110 -7.629 1.00 0.00 O ATOM 347 CB ASP A 28 12.837 -8.826 -10.102 1.00 0.00 C ATOM 348 CG ASP A 28 14.277 -8.891 -9.571 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.508 -8.814 -8.346 1.00 0.00 O ATOM 350 OD2 ASP A 28 15.214 -9.078 -10.376 1.00 0.00 O ATOM 0 H ASP A 28 10.418 -9.241 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 28 12.461 -10.753 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.818 -9.083 -11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.452 -7.810 -10.014 1.00 0.00 H new ATOM 355 N THR A 29 11.735 -10.234 -6.932 1.00 0.00 N ATOM 356 CA THR A 29 11.377 -9.929 -5.561 1.00 0.00 C ATOM 357 C THR A 29 12.320 -8.884 -4.961 1.00 0.00 C ATOM 358 O THR A 29 11.843 -7.933 -4.346 1.00 0.00 O ATOM 359 CB THR A 29 11.262 -11.235 -4.759 1.00 0.00 C ATOM 360 OG1 THR A 29 12.418 -12.048 -4.886 1.00 0.00 O ATOM 361 CG2 THR A 29 10.069 -12.034 -5.293 1.00 0.00 C ATOM 0 H THR A 29 11.958 -11.216 -7.095 1.00 0.00 H new ATOM 0 HA THR A 29 10.394 -9.459 -5.521 1.00 0.00 H new ATOM 0 HB THR A 29 11.141 -10.967 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.461 -12.676 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.974 -12.964 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.158 -11.447 -5.178 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.225 -12.260 -6.348 1.00 0.00 H new ATOM 369 N TYR A 30 13.634 -8.993 -5.164 1.00 0.00 N ATOM 370 CA TYR A 30 14.602 -8.003 -4.732 1.00 0.00 C ATOM 371 C TYR A 30 14.284 -6.623 -5.297 1.00 0.00 C ATOM 372 O TYR A 30 14.052 -5.694 -4.520 1.00 0.00 O ATOM 373 CB TYR A 30 15.993 -8.497 -5.131 1.00 0.00 C ATOM 374 CG TYR A 30 17.140 -8.011 -4.285 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.079 -8.192 -2.895 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.308 -7.511 -4.883 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.175 -7.860 -2.085 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.432 -7.229 -4.084 1.00 0.00 C ATOM 379 CZ TYR A 30 19.370 -7.401 -2.682 1.00 0.00 C ATOM 380 OH TYR A 30 20.439 -7.084 -1.906 1.00 0.00 O ATOM 0 H TYR A 30 14.055 -9.789 -5.643 1.00 0.00 H new ATOM 0 HA TYR A 30 14.563 -7.886 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.989 -9.587 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.179 -8.200 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.181 -8.590 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 30 18.344 -7.344 -5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.106 -7.955 -1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 30 20.345 -6.880 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 30 21.179 -6.787 -2.475 1.00 0.00 H new ATOM 390 N SER A 31 14.234 -6.496 -6.620 1.00 0.00 N ATOM 391 CA SER A 31 14.023 -5.239 -7.319 1.00 0.00 C ATOM 392 C SER A 31 12.691 -4.610 -6.892 1.00 0.00 C ATOM 393 O SER A 31 12.637 -3.402 -6.666 1.00 0.00 O ATOM 394 CB SER A 31 14.102 -5.543 -8.823 1.00 0.00 C ATOM 395 OG SER A 31 14.487 -4.436 -9.616 1.00 0.00 O ATOM 0 H SER A 31 14.343 -7.290 -7.251 1.00 0.00 H new ATOM 0 HA SER A 31 14.784 -4.500 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.812 -6.355 -8.982 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.129 -5.899 -9.163 1.00 0.00 H new ATOM 0 HG SER A 31 14.517 -4.703 -10.558 1.00 0.00 H new ATOM 401 N ILE A 32 11.624 -5.397 -6.725 1.00 0.00 N ATOM 402 CA ILE A 32 10.341 -4.928 -6.202 1.00 0.00 C ATOM 403 C ILE A 32 10.587 -4.373 -4.796 1.00 0.00 C ATOM 404 O ILE A 32 10.262 -3.217 -4.559 1.00 0.00 O ATOM 405 CB ILE A 32 9.293 -6.073 -6.279 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.981 -6.377 -7.764 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.976 -5.790 -5.521 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.437 -7.790 -7.987 1.00 0.00 C ATOM 0 H ILE A 32 11.629 -6.391 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 32 9.918 -4.119 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 32 9.743 -6.932 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.255 -5.652 -8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.888 -6.246 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.304 -6.641 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.192 -5.629 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.502 -4.900 -5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.238 -7.940 -9.048 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.172 -8.520 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.513 -7.917 -7.423 1.00 0.00 H new ATOM 420 N THR A 33 11.197 -5.116 -3.860 1.00 0.00 N ATOM 421 CA THR A 33 11.389 -4.590 -2.501 1.00 0.00 C ATOM 422 C THR A 33 12.162 -3.271 -2.483 1.00 0.00 C ATOM 423 O THR A 33 11.814 -2.383 -1.711 1.00 0.00 O ATOM 424 CB THR A 33 12.054 -5.598 -1.553 1.00 0.00 C ATOM 425 OG1 THR A 33 13.354 -6.009 -1.945 1.00 0.00 O ATOM 426 CG2 THR A 33 11.165 -6.816 -1.336 1.00 0.00 C ATOM 0 H THR A 33 11.557 -6.058 -4.012 1.00 0.00 H new ATOM 0 HA THR A 33 10.381 -4.401 -2.133 1.00 0.00 H new ATOM 0 HB THR A 33 12.179 -5.058 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.541 -5.684 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.661 -7.513 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.217 -6.501 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.980 -7.306 -2.292 1.00 0.00 H new ATOM 434 N LYS A 34 13.191 -3.145 -3.324 1.00 0.00 N ATOM 435 CA LYS A 34 13.946 -1.910 -3.527 1.00 0.00 C ATOM 436 C LYS A 34 12.974 -0.810 -3.941 1.00 0.00 C ATOM 437 O LYS A 34 12.743 0.112 -3.169 1.00 0.00 O ATOM 438 CB LYS A 34 15.084 -2.108 -4.553 1.00 0.00 C ATOM 439 CG LYS A 34 16.446 -2.454 -3.924 1.00 0.00 C ATOM 440 CD LYS A 34 16.640 -3.956 -3.670 1.00 0.00 C ATOM 441 CE LYS A 34 18.092 -4.276 -3.298 1.00 0.00 C ATOM 442 NZ LYS A 34 18.365 -4.216 -1.846 1.00 0.00 N ATOM 0 H LYS A 34 13.529 -3.919 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 34 14.433 -1.616 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.802 -2.904 -5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.189 -1.197 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.241 -2.099 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.548 -1.918 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.977 -4.280 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.359 -4.517 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.339 -5.273 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.751 -3.576 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.059 -3.466 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.483 -4.011 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.746 -5.130 -1.526 1.00 0.00 H new ATOM 456 N ARG A 35 12.330 -0.940 -5.099 1.00 0.00 N ATOM 457 CA ARG A 35 11.423 0.060 -5.663 1.00 0.00 C ATOM 458 C ARG A 35 10.276 0.421 -4.714 1.00 0.00 C ATOM 459 O ARG A 35 9.812 1.555 -4.702 1.00 0.00 O ATOM 460 CB ARG A 35 10.912 -0.507 -6.994 1.00 0.00 C ATOM 461 CG ARG A 35 10.613 0.536 -8.077 1.00 0.00 C ATOM 462 CD ARG A 35 9.208 1.105 -7.924 1.00 0.00 C ATOM 463 NE ARG A 35 8.759 1.744 -9.168 1.00 0.00 N ATOM 464 CZ ARG A 35 7.895 2.753 -9.328 1.00 0.00 C ATOM 465 NH1 ARG A 35 7.270 3.315 -8.300 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.686 3.198 -10.556 1.00 0.00 N ATOM 0 H ARG A 35 12.427 -1.767 -5.688 1.00 0.00 H new ATOM 0 HA ARG A 35 11.954 0.999 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.653 -1.206 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.004 -1.078 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.343 1.343 -8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.718 0.081 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.517 0.308 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.193 1.832 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 35 9.160 1.367 -10.027 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.443 2.979 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.617 4.083 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.177 2.773 -11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.034 3.966 -10.716 1.00 0.00 H new ATOM 480 N VAL A 36 9.805 -0.523 -3.904 1.00 0.00 N ATOM 481 CA VAL A 36 8.814 -0.277 -2.870 1.00 0.00 C ATOM 482 C VAL A 36 9.424 0.640 -1.803 1.00 0.00 C ATOM 483 O VAL A 36 8.847 1.671 -1.468 1.00 0.00 O ATOM 484 CB VAL A 36 8.320 -1.637 -2.334 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.524 -1.476 -1.038 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.403 -2.353 -3.347 1.00 0.00 C ATOM 0 H VAL A 36 10.109 -1.496 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 36 7.937 0.245 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 36 9.219 -2.228 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.193 -2.455 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.155 -1.016 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.656 -0.843 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.077 -3.307 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.533 -1.730 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.951 -2.529 -4.273 1.00 0.00 H new ATOM 496 N LYS A 37 10.592 0.282 -1.262 1.00 0.00 N ATOM 497 CA LYS A 37 11.286 1.077 -0.252 1.00 0.00 C ATOM 498 C LYS A 37 11.587 2.475 -0.761 1.00 0.00 C ATOM 499 O LYS A 37 11.483 3.407 0.034 1.00 0.00 O ATOM 500 CB LYS A 37 12.577 0.376 0.179 1.00 0.00 C ATOM 501 CG LYS A 37 12.242 -0.790 1.112 1.00 0.00 C ATOM 502 CD LYS A 37 13.491 -1.580 1.514 1.00 0.00 C ATOM 503 CE LYS A 37 13.971 -2.467 0.363 1.00 0.00 C ATOM 504 NZ LYS A 37 15.330 -2.980 0.600 1.00 0.00 N ATOM 0 H LYS A 37 11.084 -0.575 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 37 10.629 1.171 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.114 0.011 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.235 1.083 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.751 -0.409 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.534 -1.457 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.285 -0.891 1.803 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.271 -2.196 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.283 -3.303 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.954 -1.898 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.852 -3.007 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.825 -2.356 1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.274 -3.939 0.997 1.00 0.00 H new ATOM 518 N GLU A 38 11.916 2.628 -2.043 1.00 0.00 N ATOM 519 CA GLU A 38 12.096 3.939 -2.657 1.00 0.00 C ATOM 520 C GLU A 38 10.879 4.821 -2.403 1.00 0.00 C ATOM 521 O GLU A 38 11.013 5.880 -1.796 1.00 0.00 O ATOM 522 CB GLU A 38 12.361 3.830 -4.166 1.00 0.00 C ATOM 523 CG GLU A 38 13.677 3.142 -4.509 1.00 0.00 C ATOM 524 CD GLU A 38 14.844 3.942 -3.953 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.133 5.034 -4.488 1.00 0.00 O ATOM 526 OE2 GLU A 38 15.398 3.534 -2.904 1.00 0.00 O ATOM 0 H GLU A 38 12.065 1.847 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 38 12.971 4.396 -2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.542 3.281 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.360 4.830 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.688 2.133 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.775 3.045 -5.590 1.00 0.00 H new ATOM 533 N VAL A 39 9.699 4.376 -2.834 1.00 0.00 N ATOM 534 CA VAL A 39 8.465 5.141 -2.726 1.00 0.00 C ATOM 535 C VAL A 39 8.132 5.439 -1.258 1.00 0.00 C ATOM 536 O VAL A 39 7.628 6.526 -0.956 1.00 0.00 O ATOM 537 CB VAL A 39 7.344 4.380 -3.466 1.00 0.00 C ATOM 538 CG1 VAL A 39 5.969 5.029 -3.283 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.630 4.330 -4.976 1.00 0.00 C ATOM 0 H VAL A 39 9.576 3.463 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 39 8.578 6.115 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 39 7.328 3.380 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.219 4.452 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.715 5.050 -2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.993 6.047 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.829 3.790 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.687 5.345 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.577 3.820 -5.150 1.00 0.00 H new ATOM 549 N LEU A 40 8.405 4.505 -0.336 1.00 0.00 N ATOM 550 CA LEU A 40 8.153 4.741 1.083 1.00 0.00 C ATOM 551 C LEU A 40 9.133 5.775 1.636 1.00 0.00 C ATOM 552 O LEU A 40 8.697 6.625 2.401 1.00 0.00 O ATOM 553 CB LEU A 40 8.151 3.450 1.925 1.00 0.00 C ATOM 554 CG LEU A 40 7.157 2.382 1.433 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.463 1.060 2.138 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.697 2.786 1.654 1.00 0.00 C ATOM 0 H LEU A 40 8.797 3.588 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 40 7.143 5.142 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.155 3.026 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.914 3.703 2.958 1.00 0.00 H new ATOM 0 HG LEU A 40 7.283 2.274 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.765 0.296 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.482 0.751 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.361 1.190 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.041 1.996 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.520 2.941 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.489 3.709 1.113 1.00 0.00 H new ATOM 568 N THR A 41 10.408 5.762 1.239 1.00 0.00 N ATOM 569 CA THR A 41 11.374 6.800 1.593 1.00 0.00 C ATOM 570 C THR A 41 10.936 8.155 1.022 1.00 0.00 C ATOM 571 O THR A 41 10.904 9.141 1.763 1.00 0.00 O ATOM 572 CB THR A 41 12.794 6.362 1.166 1.00 0.00 C ATOM 573 OG1 THR A 41 13.354 5.538 2.182 1.00 0.00 O ATOM 574 CG2 THR A 41 13.765 7.511 0.889 1.00 0.00 C ATOM 0 H THR A 41 10.801 5.022 0.657 1.00 0.00 H new ATOM 0 HA THR A 41 11.408 6.934 2.674 1.00 0.00 H new ATOM 0 HB THR A 41 12.666 5.831 0.223 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.254 5.256 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.734 7.106 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.373 8.132 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.881 8.115 1.789 1.00 0.00 H new ATOM 582 N ASP A 42 10.553 8.211 -0.258 1.00 0.00 N ATOM 583 CA ASP A 42 10.112 9.423 -0.953 1.00 0.00 C ATOM 584 C ASP A 42 9.001 10.097 -0.152 1.00 0.00 C ATOM 585 O ASP A 42 9.058 11.292 0.147 1.00 0.00 O ATOM 586 CB ASP A 42 9.586 9.084 -2.362 1.00 0.00 C ATOM 587 CG ASP A 42 10.646 9.065 -3.460 1.00 0.00 C ATOM 588 OD1 ASP A 42 11.406 10.055 -3.583 1.00 0.00 O ATOM 589 OD2 ASP A 42 10.609 8.147 -4.312 1.00 0.00 O ATOM 0 H ASP A 42 10.541 7.386 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 42 10.965 10.095 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.103 8.108 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.819 9.810 -2.631 1.00 0.00 H new ATOM 594 N ASN A 43 8.007 9.306 0.254 1.00 0.00 N ATOM 595 CA ASN A 43 6.787 9.789 0.899 1.00 0.00 C ATOM 596 C ASN A 43 6.876 9.695 2.424 1.00 0.00 C ATOM 597 O ASN A 43 5.910 9.993 3.127 1.00 0.00 O ATOM 598 CB ASN A 43 5.583 9.058 0.294 1.00 0.00 C ATOM 599 CG ASN A 43 5.443 9.478 -1.157 1.00 0.00 C ATOM 600 OD1 ASN A 43 4.832 10.500 -1.443 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.035 8.737 -2.081 1.00 0.00 N ATOM 0 H ASN A 43 8.029 8.292 0.141 1.00 0.00 H new ATOM 0 HA ASN A 43 6.656 10.853 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.721 7.979 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.676 9.300 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.989 9.013 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.537 7.891 -1.812 1.00 0.00 H new ATOM 608 N ASN A 44 8.050 9.319 2.939 1.00 0.00 N ATOM 609 CA ASN A 44 8.415 9.119 4.341 1.00 0.00 C ATOM 610 C ASN A 44 7.478 8.192 5.129 1.00 0.00 C ATOM 611 O ASN A 44 7.325 8.300 6.352 1.00 0.00 O ATOM 612 CB ASN A 44 8.612 10.477 5.016 1.00 0.00 C ATOM 613 CG ASN A 44 9.380 10.326 6.313 1.00 0.00 C ATOM 614 OD1 ASN A 44 8.952 10.800 7.362 1.00 0.00 O ATOM 615 ND2 ASN A 44 10.542 9.705 6.270 1.00 0.00 N ATOM 0 H ASN A 44 8.842 9.130 2.325 1.00 0.00 H new ATOM 0 HA ASN A 44 9.359 8.575 4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.150 11.147 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.642 10.934 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.102 9.612 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.881 9.318 5.389 1.00 0.00 H new ATOM 622 N LEU A 45 6.814 7.292 4.414 1.00 0.00 N ATOM 623 CA LEU A 45 5.745 6.456 4.923 1.00 0.00 C ATOM 624 C LEU A 45 6.290 5.404 5.874 1.00 0.00 C ATOM 625 O LEU A 45 7.398 4.894 5.698 1.00 0.00 O ATOM 626 CB LEU A 45 5.024 5.800 3.739 1.00 0.00 C ATOM 627 CG LEU A 45 4.059 6.793 3.073 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.716 6.346 1.659 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.760 6.898 3.875 1.00 0.00 C ATOM 0 H LEU A 45 7.016 7.122 3.429 1.00 0.00 H new ATOM 0 HA LEU A 45 5.039 7.069 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.755 5.451 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.473 4.924 4.082 1.00 0.00 H new ATOM 0 HG LEU A 45 4.556 7.763 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.032 7.064 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.628 6.289 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.243 5.365 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.088 7.606 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.282 5.919 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.983 7.244 4.884 1.00 0.00 H new ATOM 641 N GLY A 46 5.471 5.034 6.856 1.00 0.00 N ATOM 642 CA GLY A 46 5.737 3.903 7.725 1.00 0.00 C ATOM 643 C GLY A 46 5.635 2.632 6.895 1.00 0.00 C ATOM 644 O GLY A 46 4.609 2.405 6.247 1.00 0.00 O ATOM 0 H GLY A 46 4.599 5.518 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.729 3.989 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.022 3.879 8.547 1.00 0.00 H new ATOM 648 N GLN A 47 6.672 1.791 6.924 1.00 0.00 N ATOM 649 CA GLN A 47 6.617 0.458 6.329 1.00 0.00 C ATOM 650 C GLN A 47 5.411 -0.322 6.867 1.00 0.00 C ATOM 651 O GLN A 47 4.783 -1.051 6.103 1.00 0.00 O ATOM 652 CB GLN A 47 7.883 -0.335 6.669 1.00 0.00 C ATOM 653 CG GLN A 47 8.997 -0.209 5.632 1.00 0.00 C ATOM 654 CD GLN A 47 10.198 -1.078 6.014 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.692 -1.046 7.140 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.683 -1.919 5.122 1.00 0.00 N ATOM 0 H GLN A 47 7.567 2.015 7.358 1.00 0.00 H new ATOM 0 HA GLN A 47 6.531 0.583 5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.261 0.001 7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.621 -1.387 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.623 -0.508 4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.308 0.833 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.282 -1.955 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.459 -2.533 5.369 1.00 0.00 H new ATOM 665 N ARG A 48 5.076 -0.179 8.160 1.00 0.00 N ATOM 666 CA ARG A 48 3.926 -0.852 8.755 1.00 0.00 C ATOM 667 C ARG A 48 2.666 -0.466 8.006 1.00 0.00 C ATOM 668 O ARG A 48 1.868 -1.343 7.733 1.00 0.00 O ATOM 669 CB ARG A 48 3.765 -0.536 10.254 1.00 0.00 C ATOM 670 CG ARG A 48 2.657 -1.419 10.859 1.00 0.00 C ATOM 671 CD ARG A 48 2.340 -1.099 12.320 1.00 0.00 C ATOM 672 NE ARG A 48 1.363 -2.070 12.840 1.00 0.00 N ATOM 673 CZ ARG A 48 0.038 -2.063 12.645 1.00 0.00 C ATOM 674 NH1 ARG A 48 -0.594 -0.966 12.239 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.671 -3.166 12.830 1.00 0.00 N ATOM 0 H ARG A 48 5.597 0.405 8.814 1.00 0.00 H new ATOM 0 HA ARG A 48 4.098 -1.925 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.706 -0.711 10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.517 0.517 10.388 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.749 -1.303 10.267 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.956 -2.464 10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.252 -1.132 12.916 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.942 -0.088 12.403 1.00 0.00 H new ATOM 0 HE ARG A 48 1.735 -2.830 13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.069 -0.108 12.070 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.604 -0.982 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.208 -4.027 13.122 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.680 -3.155 12.680 1.00 0.00 H new ATOM 689 N LEU A 49 2.473 0.812 7.677 1.00 0.00 N ATOM 690 CA LEU A 49 1.281 1.268 6.977 1.00 0.00 C ATOM 691 C LEU A 49 1.151 0.513 5.665 1.00 0.00 C ATOM 692 O LEU A 49 0.098 -0.011 5.327 1.00 0.00 O ATOM 693 CB LEU A 49 1.377 2.778 6.693 1.00 0.00 C ATOM 694 CG LEU A 49 0.026 3.502 6.734 1.00 0.00 C ATOM 695 CD1 LEU A 49 0.200 4.922 6.196 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.148 2.832 6.038 1.00 0.00 C ATOM 0 H LEU A 49 3.139 1.555 7.889 1.00 0.00 H new ATOM 0 HA LEU A 49 0.407 1.080 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.045 3.234 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.828 2.926 5.712 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.254 3.482 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.758 5.441 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.921 5.459 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.561 4.880 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.037 3.453 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.920 2.706 4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.329 1.856 6.489 1.00 0.00 H new ATOM 708 N PHE A 50 2.240 0.460 4.907 1.00 0.00 N ATOM 709 CA PHE A 50 2.240 -0.245 3.644 1.00 0.00 C ATOM 710 C PHE A 50 1.927 -1.733 3.841 1.00 0.00 C ATOM 711 O PHE A 50 1.125 -2.303 3.098 1.00 0.00 O ATOM 712 CB PHE A 50 3.602 -0.027 2.982 1.00 0.00 C ATOM 713 CG PHE A 50 3.895 -0.938 1.812 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.398 -0.619 0.537 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.677 -2.098 2.000 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.709 -1.439 -0.556 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.990 -2.920 0.904 1.00 0.00 C ATOM 718 CZ PHE A 50 4.518 -2.567 -0.372 1.00 0.00 C ATOM 0 H PHE A 50 3.129 0.898 5.150 1.00 0.00 H new ATOM 0 HA PHE A 50 1.456 0.144 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.663 1.007 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.380 -0.163 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.779 0.255 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.035 -2.354 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.326 -1.202 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.585 -3.811 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.783 -3.175 -1.224 1.00 0.00 H new ATOM 728 N GLY A 51 2.543 -2.368 4.841 1.00 0.00 N ATOM 729 CA GLY A 51 2.284 -3.766 5.131 1.00 0.00 C ATOM 730 C GLY A 51 0.843 -3.982 5.556 1.00 0.00 C ATOM 731 O GLY A 51 0.263 -4.952 5.105 1.00 0.00 O ATOM 0 H GLY A 51 3.224 -1.929 5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.500 -4.369 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.954 -4.106 5.921 1.00 0.00 H new ATOM 735 N GLU A 52 0.251 -3.095 6.352 1.00 0.00 N ATOM 736 CA GLU A 52 -1.145 -3.125 6.767 1.00 0.00 C ATOM 737 C GLU A 52 -2.038 -3.017 5.532 1.00 0.00 C ATOM 738 O GLU A 52 -2.754 -3.953 5.189 1.00 0.00 O ATOM 739 CB GLU A 52 -1.418 -1.960 7.724 1.00 0.00 C ATOM 740 CG GLU A 52 -0.922 -2.221 9.137 1.00 0.00 C ATOM 741 CD GLU A 52 -1.938 -2.985 9.984 1.00 0.00 C ATOM 742 OE1 GLU A 52 -2.008 -4.228 9.876 1.00 0.00 O ATOM 743 OE2 GLU A 52 -2.594 -2.360 10.852 1.00 0.00 O ATOM 0 H GLU A 52 0.757 -2.300 6.742 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.360 -4.061 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.939 -1.060 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.490 -1.764 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.008 -2.788 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.694 -1.271 9.619 1.00 0.00 H new ATOM 750 N SER A 53 -1.971 -1.874 4.850 1.00 0.00 N ATOM 751 CA SER A 53 -2.824 -1.471 3.761 1.00 0.00 C ATOM 752 C SER A 53 -2.818 -2.469 2.614 1.00 0.00 C ATOM 753 O SER A 53 -3.861 -2.648 1.985 1.00 0.00 O ATOM 754 CB SER A 53 -2.313 -0.112 3.285 1.00 0.00 C ATOM 755 OG SER A 53 -3.087 0.371 2.213 1.00 0.00 O ATOM 0 H SER A 53 -1.269 -1.167 5.067 1.00 0.00 H new ATOM 0 HA SER A 53 -3.857 -1.419 4.105 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.342 0.601 4.109 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.271 -0.199 2.976 1.00 0.00 H new ATOM 0 HG SER A 53 -2.742 1.242 1.927 1.00 0.00 H new ATOM 761 N ILE A 54 -1.646 -2.989 2.250 1.00 0.00 N ATOM 762 CA ILE A 54 -1.468 -3.748 1.021 1.00 0.00 C ATOM 763 C ILE A 54 -1.348 -5.224 1.370 1.00 0.00 C ATOM 764 O ILE A 54 -2.046 -6.057 0.796 1.00 0.00 O ATOM 765 CB ILE A 54 -0.255 -3.203 0.229 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.276 -1.668 0.088 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.147 -3.845 -1.166 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.562 -1.093 -0.511 1.00 0.00 C ATOM 0 H ILE A 54 -0.794 -2.893 2.803 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.331 -3.635 0.365 1.00 0.00 H new ATOM 0 HB ILE A 54 0.622 -3.476 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.121 -1.225 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.565 -1.363 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.717 -3.435 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.030 -4.924 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.051 -3.631 -1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.482 -0.008 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.712 -1.501 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.409 -1.361 0.121 1.00 0.00 H new ATOM 780 N LEU A 55 -0.439 -5.553 2.284 1.00 0.00 N ATOM 781 CA LEU A 55 0.039 -6.922 2.476 1.00 0.00 C ATOM 782 C LEU A 55 -0.644 -7.651 3.635 1.00 0.00 C ATOM 783 O LEU A 55 -0.472 -8.862 3.768 1.00 0.00 O ATOM 784 CB LEU A 55 1.569 -6.891 2.644 1.00 0.00 C ATOM 785 CG LEU A 55 2.301 -6.164 1.496 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.817 -6.257 1.671 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.948 -6.715 0.112 1.00 0.00 C ATOM 0 H LEU A 55 -0.011 -4.876 2.915 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.227 -7.500 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.813 -6.402 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.940 -7.914 2.710 1.00 0.00 H new ATOM 0 HG LEU A 55 1.968 -5.128 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.311 -5.737 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.103 -5.796 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.120 -7.304 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.496 -6.161 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.220 -7.769 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.877 -6.607 -0.060 1.00 0.00 H new ATOM 799 N GLY A 56 -1.392 -6.953 4.484 1.00 0.00 N ATOM 800 CA GLY A 56 -1.846 -7.446 5.774 1.00 0.00 C ATOM 801 C GLY A 56 -0.714 -7.909 6.702 1.00 0.00 C ATOM 802 O GLY A 56 -0.986 -8.726 7.580 1.00 0.00 O ATOM 0 H GLY A 56 -1.706 -6.003 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.411 -6.659 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.532 -8.278 5.612 1.00 0.00 H new ATOM 806 N LEU A 57 0.538 -7.464 6.528 1.00 0.00 N ATOM 807 CA LEU A 57 1.681 -7.974 7.295 1.00 0.00 C ATOM 808 C LEU A 57 1.975 -7.096 8.513 1.00 0.00 C ATOM 809 O LEU A 57 1.691 -5.897 8.504 1.00 0.00 O ATOM 810 CB LEU A 57 2.919 -8.062 6.384 1.00 0.00 C ATOM 811 CG LEU A 57 2.866 -9.230 5.379 1.00 0.00 C ATOM 812 CD1 LEU A 57 4.047 -9.137 4.408 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.898 -10.611 6.048 1.00 0.00 C ATOM 0 H LEU A 57 0.786 -6.741 5.852 1.00 0.00 H new ATOM 0 HA LEU A 57 1.430 -8.969 7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.023 -7.126 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.809 -8.168 7.004 1.00 0.00 H new ATOM 0 HG LEU A 57 1.914 -9.136 4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.003 -9.965 3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.998 -8.193 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.982 -9.186 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.858 -11.387 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.818 -10.716 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.041 -10.713 6.714 1.00 0.00 H new ATOM 825 N THR A 58 2.610 -7.683 9.535 1.00 0.00 N ATOM 826 CA THR A 58 3.030 -6.950 10.728 1.00 0.00 C ATOM 827 C THR A 58 4.211 -6.031 10.381 1.00 0.00 C ATOM 828 O THR A 58 4.870 -6.229 9.354 1.00 0.00 O ATOM 829 CB THR A 58 3.357 -7.897 11.901 1.00 0.00 C ATOM 830 OG1 THR A 58 4.666 -8.409 11.803 1.00 0.00 O ATOM 831 CG2 THR A 58 2.380 -9.065 12.067 1.00 0.00 C ATOM 0 H THR A 58 2.845 -8.675 9.555 1.00 0.00 H new ATOM 0 HA THR A 58 2.199 -6.330 11.065 1.00 0.00 H new ATOM 0 HB THR A 58 3.260 -7.269 12.786 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.664 -9.204 11.230 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.687 -9.678 12.914 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.377 -8.678 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.381 -9.671 11.161 1.00 0.00 H new ATOM 839 N GLN A 59 4.568 -5.095 11.272 1.00 0.00 N ATOM 840 CA GLN A 59 5.801 -4.328 11.113 1.00 0.00 C ATOM 841 C GLN A 59 7.012 -5.270 11.027 1.00 0.00 C ATOM 842 O GLN A 59 7.894 -5.034 10.205 1.00 0.00 O ATOM 843 CB GLN A 59 5.979 -3.316 12.260 1.00 0.00 C ATOM 844 CG GLN A 59 7.111 -2.309 11.967 1.00 0.00 C ATOM 845 CD GLN A 59 7.860 -1.901 13.228 1.00 0.00 C ATOM 846 OE1 GLN A 59 8.563 -2.718 13.817 1.00 0.00 O ATOM 847 NE2 GLN A 59 7.750 -0.662 13.674 1.00 0.00 N ATOM 0 H GLN A 59 4.023 -4.856 12.101 1.00 0.00 H new ATOM 0 HA GLN A 59 5.731 -3.766 10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.045 -2.777 12.417 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.198 -3.850 13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.811 -2.749 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.692 -1.422 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.164 0.009 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.252 -0.376 14.515 1.00 0.00 H new ATOM 856 N GLY A 60 7.077 -6.326 11.844 1.00 0.00 N ATOM 857 CA GLY A 60 8.193 -7.265 11.827 1.00 0.00 C ATOM 858 C GLY A 60 8.250 -8.007 10.502 1.00 0.00 C ATOM 859 O GLY A 60 9.285 -8.015 9.836 1.00 0.00 O ATOM 0 H GLY A 60 6.358 -6.550 12.532 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.128 -6.729 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.087 -7.978 12.645 1.00 0.00 H new ATOM 863 N SER A 61 7.119 -8.591 10.110 1.00 0.00 N ATOM 864 CA SER A 61 7.014 -9.415 8.923 1.00 0.00 C ATOM 865 C SER A 61 7.374 -8.591 7.687 1.00 0.00 C ATOM 866 O SER A 61 8.111 -9.069 6.829 1.00 0.00 O ATOM 867 CB SER A 61 5.599 -9.999 8.826 1.00 0.00 C ATOM 868 OG SER A 61 5.138 -10.506 10.071 1.00 0.00 O ATOM 0 H SER A 61 6.241 -8.499 10.621 1.00 0.00 H new ATOM 0 HA SER A 61 7.717 -10.246 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.914 -9.228 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.588 -10.798 8.085 1.00 0.00 H new ATOM 0 HG SER A 61 4.233 -10.866 9.963 1.00 0.00 H new ATOM 874 N VAL A 62 6.892 -7.348 7.591 1.00 0.00 N ATOM 875 CA VAL A 62 7.144 -6.510 6.429 1.00 0.00 C ATOM 876 C VAL A 62 8.554 -5.905 6.461 1.00 0.00 C ATOM 877 O VAL A 62 9.139 -5.716 5.392 1.00 0.00 O ATOM 878 CB VAL A 62 6.012 -5.469 6.291 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.374 -4.073 6.807 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.587 -5.367 4.825 1.00 0.00 C ATOM 0 H VAL A 62 6.323 -6.904 8.312 1.00 0.00 H new ATOM 0 HA VAL A 62 7.129 -7.119 5.525 1.00 0.00 H new ATOM 0 HB VAL A 62 5.196 -5.827 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.524 -3.404 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.627 -4.131 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.229 -3.690 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.788 -4.632 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.439 -5.058 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.231 -6.338 4.481 1.00 0.00 H new ATOM 890 N SER A 63 9.121 -5.630 7.648 1.00 0.00 N ATOM 891 CA SER A 63 10.519 -5.225 7.759 1.00 0.00 C ATOM 892 C SER A 63 11.356 -6.311 7.115 1.00 0.00 C ATOM 893 O SER A 63 12.133 -6.026 6.205 1.00 0.00 O ATOM 894 CB SER A 63 10.989 -5.047 9.210 1.00 0.00 C ATOM 895 OG SER A 63 10.270 -4.039 9.878 1.00 0.00 O ATOM 0 H SER A 63 8.627 -5.683 8.539 1.00 0.00 H new ATOM 0 HA SER A 63 10.628 -4.257 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.875 -5.989 9.746 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.051 -4.801 9.219 1.00 0.00 H new ATOM 0 HG SER A 63 9.323 -4.288 9.924 1.00 0.00 H new ATOM 901 N ASP A 64 11.168 -7.552 7.563 1.00 0.00 N ATOM 902 CA ASP A 64 11.919 -8.683 7.065 1.00 0.00 C ATOM 903 C ASP A 64 11.662 -8.907 5.582 1.00 0.00 C ATOM 904 O ASP A 64 12.616 -9.165 4.856 1.00 0.00 O ATOM 905 CB ASP A 64 11.584 -9.941 7.853 1.00 0.00 C ATOM 906 CG ASP A 64 12.496 -11.059 7.372 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.697 -11.032 7.718 1.00 0.00 O ATOM 908 OD2 ASP A 64 12.001 -12.011 6.724 1.00 0.00 O ATOM 0 H ASP A 64 10.487 -7.792 8.283 1.00 0.00 H new ATOM 0 HA ASP A 64 12.978 -8.459 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.723 -9.769 8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.539 -10.214 7.708 1.00 0.00 H new ATOM 913 N LEU A 65 10.417 -8.763 5.110 1.00 0.00 N ATOM 914 CA LEU A 65 10.090 -8.961 3.706 1.00 0.00 C ATOM 915 C LEU A 65 10.860 -7.988 2.820 1.00 0.00 C ATOM 916 O LEU A 65 11.474 -8.394 1.837 1.00 0.00 O ATOM 917 CB LEU A 65 8.579 -8.789 3.471 1.00 0.00 C ATOM 918 CG LEU A 65 8.160 -9.604 2.243 1.00 0.00 C ATOM 919 CD1 LEU A 65 7.924 -11.054 2.681 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.896 -9.056 1.587 1.00 0.00 C ATOM 0 H LEU A 65 9.619 -8.508 5.691 1.00 0.00 H new ATOM 0 HA LEU A 65 10.379 -9.978 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.023 -9.120 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.340 -7.736 3.321 1.00 0.00 H new ATOM 0 HG LEU A 65 8.958 -9.542 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.625 -11.650 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.843 -11.461 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.136 -11.083 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.641 -9.668 0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.075 -9.080 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.069 -8.029 1.267 1.00 0.00 H new ATOM 932 N LEU A 66 10.794 -6.698 3.153 1.00 0.00 N ATOM 933 CA LEU A 66 11.350 -5.625 2.343 1.00 0.00 C ATOM 934 C LEU A 66 12.865 -5.570 2.470 1.00 0.00 C ATOM 935 O LEU A 66 13.560 -5.269 1.501 1.00 0.00 O ATOM 936 CB LEU A 66 10.708 -4.297 2.771 1.00 0.00 C ATOM 937 CG LEU A 66 9.218 -4.198 2.394 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.582 -2.910 2.921 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.067 -4.247 0.878 1.00 0.00 C ATOM 0 H LEU A 66 10.345 -6.369 4.008 1.00 0.00 H new ATOM 0 HA LEU A 66 11.126 -5.812 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.812 -4.181 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.250 -3.472 2.308 1.00 0.00 H new ATOM 0 HG LEU A 66 8.705 -5.043 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.531 -2.879 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.662 -2.883 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.099 -2.049 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.012 -4.177 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.609 -3.413 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.473 -5.186 0.502 1.00 0.00 H new ATOM 951 N SER A 67 13.373 -5.875 3.656 1.00 0.00 N ATOM 952 CA SER A 67 14.793 -6.067 3.889 1.00 0.00 C ATOM 953 C SER A 67 15.293 -7.229 3.035 1.00 0.00 C ATOM 954 O SER A 67 16.207 -7.062 2.221 1.00 0.00 O ATOM 955 CB SER A 67 15.073 -6.338 5.372 1.00 0.00 C ATOM 956 OG SER A 67 14.659 -5.255 6.178 1.00 0.00 O ATOM 0 H SER A 67 12.801 -5.997 4.492 1.00 0.00 H new ATOM 0 HA SER A 67 15.322 -5.156 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.554 -7.245 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.139 -6.515 5.517 1.00 0.00 H new ATOM 0 HG SER A 67 13.765 -5.437 6.537 1.00 0.00 H new ATOM 962 N ARG A 68 14.718 -8.414 3.243 1.00 0.00 N ATOM 963 CA ARG A 68 15.269 -9.700 2.850 1.00 0.00 C ATOM 964 C ARG A 68 14.199 -10.549 2.165 1.00 0.00 C ATOM 965 O ARG A 68 13.690 -11.506 2.757 1.00 0.00 O ATOM 966 CB ARG A 68 15.860 -10.419 4.077 1.00 0.00 C ATOM 967 CG ARG A 68 16.975 -9.614 4.745 1.00 0.00 C ATOM 968 CD ARG A 68 18.030 -10.529 5.379 1.00 0.00 C ATOM 969 NE ARG A 68 19.002 -9.756 6.160 1.00 0.00 N ATOM 970 CZ ARG A 68 19.822 -8.799 5.715 1.00 0.00 C ATOM 971 NH1 ARG A 68 19.992 -8.565 4.417 1.00 0.00 N ATOM 972 NH2 ARG A 68 20.471 -8.042 6.585 1.00 0.00 N ATOM 0 H ARG A 68 13.816 -8.501 3.711 1.00 0.00 H new ATOM 0 HA ARG A 68 16.075 -9.541 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.067 -10.606 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.250 -11.390 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.450 -8.967 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.548 -8.965 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.541 -11.260 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.548 -11.087 4.599 1.00 0.00 H new ATOM 0 HE ARG A 68 19.058 -9.973 7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.489 -9.124 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.626 -7.827 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.343 -8.191 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.099 -7.309 6.255 1.00 0.00 H new ATOM 986 N PRO A 69 13.865 -10.268 0.898 1.00 0.00 N ATOM 987 CA PRO A 69 13.059 -11.184 0.112 1.00 0.00 C ATOM 988 C PRO A 69 13.898 -12.423 -0.213 1.00 0.00 C ATOM 989 O PRO A 69 15.098 -12.326 -0.494 1.00 0.00 O ATOM 990 CB PRO A 69 12.708 -10.407 -1.150 1.00 0.00 C ATOM 991 CG PRO A 69 13.883 -9.463 -1.332 1.00 0.00 C ATOM 992 CD PRO A 69 14.308 -9.136 0.097 1.00 0.00 C ATOM 0 HA PRO A 69 12.161 -11.526 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.590 -11.069 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.771 -9.862 -1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.691 -9.933 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.595 -8.566 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.388 -9.004 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.851 -8.208 0.441 1.00 0.00 H new ATOM 1000 N LYS A 70 13.279 -13.601 -0.222 1.00 0.00 N ATOM 1001 CA LYS A 70 13.808 -14.763 -0.911 1.00 0.00 C ATOM 1002 C LYS A 70 13.514 -14.623 -2.410 1.00 0.00 C ATOM 1003 O LYS A 70 12.646 -13.828 -2.787 1.00 0.00 O ATOM 1004 CB LYS A 70 13.193 -16.023 -0.276 1.00 0.00 C ATOM 1005 CG LYS A 70 14.109 -16.523 0.850 1.00 0.00 C ATOM 1006 CD LYS A 70 14.191 -15.645 2.109 1.00 0.00 C ATOM 1007 CE LYS A 70 12.893 -15.594 2.921 1.00 0.00 C ATOM 1008 NZ LYS A 70 12.716 -16.796 3.761 1.00 0.00 N ATOM 0 H LYS A 70 12.392 -13.772 0.252 1.00 0.00 H new ATOM 0 HA LYS A 70 14.890 -14.846 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.202 -15.799 0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.067 -16.800 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.772 -17.516 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.115 -16.635 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.992 -16.018 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.463 -14.631 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.897 -14.707 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.045 -15.498 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.826 -16.720 4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.686 -17.641 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.511 -16.875 4.427 1.00 0.00 H new ATOM 1022 N PRO A 71 14.217 -15.374 -3.271 1.00 0.00 N ATOM 1023 CA PRO A 71 14.042 -15.248 -4.710 1.00 0.00 C ATOM 1024 C PRO A 71 12.694 -15.828 -5.130 1.00 0.00 C ATOM 1025 O PRO A 71 12.102 -16.638 -4.408 1.00 0.00 O ATOM 1026 CB PRO A 71 15.216 -16.004 -5.326 1.00 0.00 C ATOM 1027 CG PRO A 71 15.605 -17.021 -4.273 1.00 0.00 C ATOM 1028 CD PRO A 71 15.254 -16.346 -2.948 1.00 0.00 C ATOM 0 HA PRO A 71 14.035 -14.211 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.930 -16.489 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.044 -15.333 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.058 -17.955 -4.401 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.666 -17.263 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.897 -17.074 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 71 16.126 -15.859 -2.512 1.00 0.00 H new ATOM 1036 N TRP A 72 12.243 -15.484 -6.334 1.00 0.00 N ATOM 1037 CA TRP A 72 10.980 -15.966 -6.873 1.00 0.00 C ATOM 1038 C TRP A 72 10.992 -17.493 -6.995 1.00 0.00 C ATOM 1039 O TRP A 72 9.979 -18.134 -6.723 1.00 0.00 O ATOM 1040 CB TRP A 72 10.707 -15.273 -8.211 1.00 0.00 C ATOM 1041 CG TRP A 72 9.370 -15.561 -8.821 1.00 0.00 C ATOM 1042 CD1 TRP A 72 9.129 -16.512 -9.748 1.00 0.00 C ATOM 1043 CD2 TRP A 72 8.083 -14.912 -8.579 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.802 -16.490 -10.110 1.00 0.00 N ATOM 1045 CE2 TRP A 72 7.105 -15.527 -9.417 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.639 -13.866 -7.743 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.758 -15.141 -9.409 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.288 -13.466 -7.727 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.352 -14.095 -8.568 1.00 0.00 C ATOM 0 H TRP A 72 12.748 -14.860 -6.964 1.00 0.00 H new ATOM 0 HA TRP A 72 10.166 -15.717 -6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.798 -14.196 -8.069 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.482 -15.568 -8.919 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.869 -17.190 -10.147 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.387 -17.110 -10.805 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.348 -13.362 -7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.042 -15.643 -10.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.970 -12.673 -7.066 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.321 -13.772 -8.566 1.00 0.00 H new ATOM 1060 N HIS A 73 12.142 -18.109 -7.304 1.00 0.00 N ATOM 1061 CA HIS A 73 12.243 -19.569 -7.369 1.00 0.00 C ATOM 1062 C HIS A 73 12.103 -20.255 -5.998 1.00 0.00 C ATOM 1063 O HIS A 73 11.915 -21.472 -5.937 1.00 0.00 O ATOM 1064 CB HIS A 73 13.552 -19.997 -8.063 1.00 0.00 C ATOM 1065 CG HIS A 73 14.776 -20.060 -7.184 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.743 -19.095 -7.039 1.00 0.00 N ATOM 1067 CD2 HIS A 73 15.159 -21.141 -6.440 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.673 -19.563 -6.192 1.00 0.00 C ATOM 1069 NE2 HIS A 73 16.358 -20.814 -5.794 1.00 0.00 N ATOM 0 H HIS A 73 13.012 -17.618 -7.512 1.00 0.00 H new ATOM 0 HA HIS A 73 11.395 -19.906 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.399 -20.979 -8.510 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.751 -19.303 -8.880 1.00 0.00 H new ATOM 0 HD1 HIS A 73 15.753 -18.183 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.631 -22.080 -6.364 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.549 -19.017 -5.874 1.00 0.00 H new ATOM 1077 N LYS A 74 12.254 -19.513 -4.894 1.00 0.00 N ATOM 1078 CA LYS A 74 12.181 -20.031 -3.523 1.00 0.00 C ATOM 1079 C LYS A 74 10.832 -19.759 -2.902 1.00 0.00 C ATOM 1080 O LYS A 74 10.400 -20.531 -2.040 1.00 0.00 O ATOM 1081 CB LYS A 74 13.259 -19.356 -2.664 1.00 0.00 C ATOM 1082 CG LYS A 74 14.621 -20.021 -2.895 1.00 0.00 C ATOM 1083 CD LYS A 74 14.787 -21.230 -1.967 1.00 0.00 C ATOM 1084 CE LYS A 74 15.924 -22.175 -2.384 1.00 0.00 C ATOM 1085 NZ LYS A 74 15.679 -22.825 -3.687 1.00 0.00 N ATOM 0 H LYS A 74 12.435 -18.510 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 74 12.338 -21.109 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.318 -18.296 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.988 -19.424 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.707 -20.337 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.420 -19.302 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.974 -20.876 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.852 -21.789 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.857 -21.614 -2.433 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.052 -22.941 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.064 -23.791 -3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.656 -22.863 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.145 -22.279 -4.440 1.00 0.00 H new ATOM 1099 N LEU A 75 10.181 -18.673 -3.274 1.00 0.00 N ATOM 1100 CA LEU A 75 8.852 -18.358 -2.799 1.00 0.00 C ATOM 1101 C LEU A 75 7.884 -19.194 -3.625 1.00 0.00 C ATOM 1102 O LEU A 75 7.905 -19.130 -4.848 1.00 0.00 O ATOM 1103 CB LEU A 75 8.622 -16.855 -2.954 1.00 0.00 C ATOM 1104 CG LEU A 75 9.488 -16.031 -1.980 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.486 -14.593 -2.465 1.00 0.00 C ATOM 1106 CD2 LEU A 75 9.014 -16.087 -0.524 1.00 0.00 C ATOM 0 H LEU A 75 10.564 -17.982 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 75 8.708 -18.593 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.847 -16.558 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.570 -16.630 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 75 10.489 -16.463 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.092 -13.982 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.901 -14.548 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.464 -14.214 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.675 -15.482 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.998 -15.699 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.032 -17.119 -0.175 1.00 0.00 H new ATOM 1118 N SER A 76 7.067 -20.012 -2.972 1.00 0.00 N ATOM 1119 CA SER A 76 5.920 -20.672 -3.585 1.00 0.00 C ATOM 1120 C SER A 76 4.828 -19.624 -3.848 1.00 0.00 C ATOM 1121 O SER A 76 5.023 -18.459 -3.515 1.00 0.00 O ATOM 1122 CB SER A 76 5.438 -21.791 -2.654 1.00 0.00 C ATOM 1123 OG SER A 76 6.491 -22.666 -2.288 1.00 0.00 O ATOM 0 H SER A 76 7.185 -20.239 -1.985 1.00 0.00 H new ATOM 0 HA SER A 76 6.186 -21.124 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.002 -21.353 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.649 -22.359 -3.147 1.00 0.00 H new ATOM 0 HG SER A 76 6.145 -23.364 -1.694 1.00 0.00 H new ATOM 1129 N LEU A 77 3.659 -19.989 -4.388 1.00 0.00 N ATOM 1130 CA LEU A 77 2.572 -19.026 -4.628 1.00 0.00 C ATOM 1131 C LEU A 77 2.254 -18.231 -3.347 1.00 0.00 C ATOM 1132 O LEU A 77 2.258 -17.003 -3.349 1.00 0.00 O ATOM 1133 CB LEU A 77 1.326 -19.712 -5.215 1.00 0.00 C ATOM 1134 CG LEU A 77 1.568 -20.615 -6.441 1.00 0.00 C ATOM 1135 CD1 LEU A 77 0.229 -21.120 -6.976 1.00 0.00 C ATOM 1136 CD2 LEU A 77 2.316 -19.930 -7.588 1.00 0.00 C ATOM 0 H LEU A 77 3.439 -20.945 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 77 2.912 -18.311 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.863 -20.312 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.607 -18.941 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 77 2.200 -21.430 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.401 -21.758 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.281 -21.691 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.390 -20.271 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.445 -20.634 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.743 -19.069 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.294 -19.598 -7.238 1.00 0.00 H new ATOM 1148 N LYS A 78 2.124 -18.922 -2.214 1.00 0.00 N ATOM 1149 CA LYS A 78 1.978 -18.347 -0.878 1.00 0.00 C ATOM 1150 C LYS A 78 3.120 -17.415 -0.484 1.00 0.00 C ATOM 1151 O LYS A 78 2.905 -16.472 0.275 1.00 0.00 O ATOM 1152 CB LYS A 78 1.699 -19.407 0.200 1.00 0.00 C ATOM 1153 CG LYS A 78 2.502 -20.711 0.142 1.00 0.00 C ATOM 1154 CD LYS A 78 2.063 -21.620 -1.019 1.00 0.00 C ATOM 1155 CE LYS A 78 2.175 -23.125 -0.773 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.136 -23.596 0.162 1.00 0.00 N ATOM 0 H LYS A 78 2.117 -19.942 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 78 1.090 -17.718 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.873 -18.949 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.640 -19.663 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.561 -20.478 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.386 -21.248 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.026 -21.388 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.661 -21.370 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.083 -23.658 -1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.161 -23.357 -0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.239 -24.621 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.240 -23.104 1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.196 -23.396 -0.234 1.00 0.00 H new ATOM 1170 N GLY A 79 4.325 -17.663 -0.979 1.00 0.00 N ATOM 1171 CA GLY A 79 5.471 -16.789 -0.818 1.00 0.00 C ATOM 1172 C GLY A 79 5.369 -15.540 -1.681 1.00 0.00 C ATOM 1173 O GLY A 79 5.860 -14.485 -1.293 1.00 0.00 O ATOM 0 H GLY A 79 4.534 -18.503 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.560 -16.499 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.380 -17.333 -1.076 1.00 0.00 H new ATOM 1177 N ARG A 80 4.787 -15.656 -2.872 1.00 0.00 N ATOM 1178 CA ARG A 80 4.764 -14.621 -3.895 1.00 0.00 C ATOM 1179 C ARG A 80 3.584 -13.679 -3.732 1.00 0.00 C ATOM 1180 O ARG A 80 3.686 -12.543 -4.179 1.00 0.00 O ATOM 1181 CB ARG A 80 4.670 -15.325 -5.240 1.00 0.00 C ATOM 1182 CG ARG A 80 5.919 -16.166 -5.518 1.00 0.00 C ATOM 1183 CD ARG A 80 5.574 -17.143 -6.640 1.00 0.00 C ATOM 1184 NE ARG A 80 6.731 -17.946 -7.030 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.848 -18.695 -8.124 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.860 -18.798 -9.002 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.971 -19.362 -8.323 1.00 0.00 N ATOM 0 H ARG A 80 4.301 -16.506 -3.159 1.00 0.00 H new ATOM 0 HA ARG A 80 5.666 -14.014 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.788 -15.965 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.543 -14.586 -6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.754 -15.528 -5.808 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.226 -16.705 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.767 -17.800 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.206 -16.590 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 80 7.532 -17.931 -6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.985 -18.297 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.974 -19.379 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.730 -19.298 -7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.079 -19.941 -9.155 1.00 0.00 H new ATOM 1201 N GLU A 81 2.526 -14.116 -3.045 1.00 0.00 N ATOM 1202 CA GLU A 81 1.327 -13.361 -2.691 1.00 0.00 C ATOM 1203 C GLU A 81 1.626 -11.878 -2.411 1.00 0.00 C ATOM 1204 O GLU A 81 1.089 -11.027 -3.126 1.00 0.00 O ATOM 1205 CB GLU A 81 0.612 -14.078 -1.515 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.684 -14.777 -1.946 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.126 -15.930 -1.025 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.484 -15.705 0.151 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.157 -17.103 -1.474 1.00 0.00 O ATOM 0 H GLU A 81 2.484 -15.074 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 81 0.649 -13.343 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.288 -14.813 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.385 -13.351 -0.736 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.483 -14.037 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.554 -15.165 -2.956 1.00 0.00 H new ATOM 1216 N PRO A 82 2.512 -11.533 -1.457 1.00 0.00 N ATOM 1217 CA PRO A 82 2.763 -10.136 -1.152 1.00 0.00 C ATOM 1218 C PRO A 82 3.498 -9.430 -2.295 1.00 0.00 C ATOM 1219 O PRO A 82 3.137 -8.317 -2.655 1.00 0.00 O ATOM 1220 CB PRO A 82 3.539 -10.127 0.169 1.00 0.00 C ATOM 1221 CG PRO A 82 4.195 -11.502 0.236 1.00 0.00 C ATOM 1222 CD PRO A 82 3.247 -12.404 -0.551 1.00 0.00 C ATOM 0 HA PRO A 82 1.837 -9.572 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.283 -9.331 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.876 -9.962 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.192 -11.490 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.306 -11.841 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.801 -13.162 -1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.567 -12.932 0.118 1.00 0.00 H new ATOM 1230 N PHE A 83 4.512 -10.055 -2.897 1.00 0.00 N ATOM 1231 CA PHE A 83 5.323 -9.442 -3.949 1.00 0.00 C ATOM 1232 C PHE A 83 4.500 -9.125 -5.196 1.00 0.00 C ATOM 1233 O PHE A 83 4.752 -8.101 -5.829 1.00 0.00 O ATOM 1234 CB PHE A 83 6.519 -10.335 -4.295 1.00 0.00 C ATOM 1235 CG PHE A 83 7.417 -10.593 -3.109 1.00 0.00 C ATOM 1236 CD1 PHE A 83 8.429 -9.676 -2.785 1.00 0.00 C ATOM 1237 CD2 PHE A 83 7.192 -11.707 -2.283 1.00 0.00 C ATOM 1238 CE1 PHE A 83 9.185 -9.862 -1.620 1.00 0.00 C ATOM 1239 CE2 PHE A 83 7.977 -11.910 -1.137 1.00 0.00 C ATOM 1240 CZ PHE A 83 8.983 -10.990 -0.808 1.00 0.00 C ATOM 0 H PHE A 83 4.795 -11.007 -2.666 1.00 0.00 H new ATOM 0 HA PHE A 83 5.696 -8.493 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.156 -11.286 -4.684 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.099 -9.866 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.624 -8.832 -3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.411 -12.411 -2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.930 -9.131 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.807 -12.773 -0.510 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.599 -11.148 0.065 1.00 0.00 H new ATOM 1250 N VAL A 84 3.507 -9.951 -5.524 1.00 0.00 N ATOM 1251 CA VAL A 84 2.547 -9.661 -6.580 1.00 0.00 C ATOM 1252 C VAL A 84 1.778 -8.392 -6.214 1.00 0.00 C ATOM 1253 O VAL A 84 1.740 -7.454 -7.011 1.00 0.00 O ATOM 1254 CB VAL A 84 1.650 -10.892 -6.814 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.473 -10.620 -7.759 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.508 -12.019 -7.408 1.00 0.00 C ATOM 0 H VAL A 84 3.348 -10.845 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 84 3.045 -9.465 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 84 1.226 -11.167 -5.848 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.116 -11.530 -7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.155 -9.833 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.852 -10.303 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.886 -12.898 -7.579 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.938 -11.689 -8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.309 -12.271 -6.713 1.00 0.00 H new ATOM 1266 N ARG A 85 1.211 -8.318 -5.002 1.00 0.00 N ATOM 1267 CA ARG A 85 0.488 -7.127 -4.568 1.00 0.00 C ATOM 1268 C ARG A 85 1.389 -5.884 -4.686 1.00 0.00 C ATOM 1269 O ARG A 85 0.951 -4.879 -5.245 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.086 -7.311 -3.153 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.258 -8.308 -3.102 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.709 -8.531 -1.654 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.080 -9.065 -1.545 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.197 -8.324 -1.466 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.174 -7.015 -1.681 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.364 -8.882 -1.167 1.00 0.00 N ATOM 0 H ARG A 85 1.242 -9.068 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.366 -6.972 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.706 -7.656 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.422 -6.345 -2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.091 -7.930 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.956 -9.257 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.018 -9.220 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.650 -7.587 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.188 -10.079 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.295 -6.551 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.035 -6.472 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.420 -9.886 -0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.205 -8.307 -1.110 1.00 0.00 H new ATOM 1290 N MET A 86 2.654 -5.949 -4.239 1.00 0.00 N ATOM 1291 CA MET A 86 3.627 -4.875 -4.345 1.00 0.00 C ATOM 1292 C MET A 86 3.856 -4.455 -5.791 1.00 0.00 C ATOM 1293 O MET A 86 3.819 -3.266 -6.080 1.00 0.00 O ATOM 1294 CB MET A 86 4.953 -5.315 -3.721 1.00 0.00 C ATOM 1295 CG MET A 86 4.832 -5.568 -2.218 1.00 0.00 C ATOM 1296 SD MET A 86 6.362 -5.388 -1.271 1.00 0.00 S ATOM 1297 CE MET A 86 6.979 -7.056 -1.457 1.00 0.00 C ATOM 0 H MET A 86 3.029 -6.780 -3.782 1.00 0.00 H new ATOM 0 HA MET A 86 3.229 -4.014 -3.808 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.300 -6.224 -4.213 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.707 -4.549 -3.898 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.090 -4.881 -1.810 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.449 -6.577 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.843 -7.199 -0.808 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.198 -7.765 -1.182 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.272 -7.222 -2.494 1.00 0.00 H new ATOM 1307 N GLN A 87 4.122 -5.400 -6.694 1.00 0.00 N ATOM 1308 CA GLN A 87 4.367 -5.105 -8.099 1.00 0.00 C ATOM 1309 C GLN A 87 3.214 -4.279 -8.689 1.00 0.00 C ATOM 1310 O GLN A 87 3.463 -3.268 -9.348 1.00 0.00 O ATOM 1311 CB GLN A 87 4.587 -6.409 -8.873 1.00 0.00 C ATOM 1312 CG GLN A 87 4.939 -6.177 -10.351 1.00 0.00 C ATOM 1313 CD GLN A 87 6.352 -5.621 -10.538 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.644 -4.462 -10.232 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.247 -6.441 -11.047 1.00 0.00 N ATOM 0 H GLN A 87 4.173 -6.393 -6.467 1.00 0.00 H new ATOM 0 HA GLN A 87 5.271 -4.503 -8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.388 -6.976 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.685 -7.019 -8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.847 -7.117 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.219 -5.485 -10.788 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.983 -7.395 -11.293 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.204 -6.122 -11.196 1.00 0.00 H new ATOM 1324 N LEU A 88 1.958 -4.682 -8.468 1.00 0.00 N ATOM 1325 CA LEU A 88 0.819 -3.940 -9.008 1.00 0.00 C ATOM 1326 C LEU A 88 0.647 -2.595 -8.298 1.00 0.00 C ATOM 1327 O LEU A 88 0.313 -1.599 -8.947 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.482 -4.764 -8.937 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.648 -5.883 -9.990 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.249 -5.441 -11.403 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.096 -7.171 -9.638 1.00 0.00 C ATOM 0 H LEU A 88 1.708 -5.509 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 88 1.031 -3.745 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.546 -5.215 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.325 -4.079 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.717 -6.095 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.388 -6.270 -12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.873 -4.602 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.797 -5.136 -11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.066 -7.911 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.162 -6.963 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.277 -7.559 -8.690 1.00 0.00 H new ATOM 1343 N TRP A 89 0.911 -2.531 -6.989 1.00 0.00 N ATOM 1344 CA TRP A 89 0.887 -1.293 -6.219 1.00 0.00 C ATOM 1345 C TRP A 89 1.960 -0.316 -6.714 1.00 0.00 C ATOM 1346 O TRP A 89 1.827 0.888 -6.552 1.00 0.00 O ATOM 1347 CB TRP A 89 1.074 -1.648 -4.736 1.00 0.00 C ATOM 1348 CG TRP A 89 0.985 -0.498 -3.791 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.146 -0.065 -3.198 1.00 0.00 C ATOM 1350 CD2 TRP A 89 2.038 0.401 -3.336 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.126 1.042 -2.431 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.462 1.363 -2.456 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.421 0.501 -3.585 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.212 2.379 -1.857 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.197 1.504 -2.966 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.595 2.441 -2.104 1.00 0.00 C ATOM 0 H TRP A 89 1.150 -3.351 -6.431 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.070 -0.787 -6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.321 -2.385 -4.458 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.047 -2.124 -4.613 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.119 -0.520 -3.309 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.578 1.562 -1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.893 -0.199 -4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.737 3.105 -1.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.259 1.553 -3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.195 3.206 -1.633 1.00 0.00 H new ATOM 1367 N LEU A 90 3.031 -0.809 -7.331 1.00 0.00 N ATOM 1368 CA LEU A 90 4.101 0.003 -7.894 1.00 0.00 C ATOM 1369 C LEU A 90 3.830 0.467 -9.328 1.00 0.00 C ATOM 1370 O LEU A 90 4.666 1.143 -9.930 1.00 0.00 O ATOM 1371 CB LEU A 90 5.382 -0.826 -7.880 1.00 0.00 C ATOM 1372 CG LEU A 90 6.079 -0.860 -6.514 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.287 -1.789 -6.671 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.450 0.544 -6.023 1.00 0.00 C ATOM 0 H LEU A 90 3.180 -1.810 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 90 4.182 0.903 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.148 -1.846 -8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.073 -0.424 -8.621 1.00 0.00 H new ATOM 0 HG LEU A 90 5.415 -1.242 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.824 -1.851 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.946 -2.783 -6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.952 -1.395 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.941 0.472 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.126 1.013 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.547 1.147 -5.929 1.00 0.00 H new ATOM 1386 N ASN A 91 2.725 0.026 -9.916 1.00 0.00 N ATOM 1387 CA ASN A 91 2.219 0.512 -11.197 1.00 0.00 C ATOM 1388 C ASN A 91 1.103 1.519 -10.966 1.00 0.00 C ATOM 1389 O ASN A 91 1.118 2.592 -11.574 1.00 0.00 O ATOM 1390 CB ASN A 91 1.696 -0.661 -12.042 1.00 0.00 C ATOM 1391 CG ASN A 91 2.720 -1.211 -13.027 1.00 0.00 C ATOM 1392 OD1 ASN A 91 3.771 -0.628 -13.306 1.00 0.00 O ATOM 1393 ND2 ASN A 91 2.454 -2.389 -13.559 1.00 0.00 N ATOM 0 H ASN A 91 2.138 -0.700 -9.505 1.00 0.00 H new ATOM 0 HA ASN A 91 3.034 0.998 -11.734 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.378 -1.463 -11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.814 -0.335 -12.593 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.118 -2.820 -14.202 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.584 -2.869 -13.327 1.00 0.00 H new ATOM 1400 N ASP A 92 0.147 1.167 -10.097 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.048 1.962 -9.818 1.00 0.00 C ATOM 1402 C ASP A 92 -0.613 3.384 -9.451 1.00 0.00 C ATOM 1403 O ASP A 92 0.208 3.534 -8.548 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.877 1.332 -8.688 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.317 1.843 -8.697 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.540 3.076 -8.634 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.238 0.987 -8.713 1.00 0.00 O ATOM 0 H ASP A 92 0.187 0.302 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.683 1.991 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.874 0.247 -8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.415 1.559 -7.727 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.036 4.426 -10.176 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.466 5.760 -10.015 1.00 0.00 C ATOM 1414 C PRO A 93 -0.967 6.470 -8.756 1.00 0.00 C ATOM 1415 O PRO A 93 -0.327 7.415 -8.299 1.00 0.00 O ATOM 1416 CB PRO A 93 -0.865 6.513 -11.282 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.181 5.840 -11.670 1.00 0.00 C ATOM 1418 CD PRO A 93 -1.947 4.386 -11.305 1.00 0.00 C ATOM 0 HA PRO A 93 0.615 5.712 -9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.995 7.579 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.113 6.415 -12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.025 6.261 -11.124 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.397 5.959 -12.732 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.881 3.890 -11.042 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.517 3.833 -12.140 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.091 6.043 -8.168 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.642 6.657 -6.952 1.00 0.00 C ATOM 1428 C HIS A 94 -2.382 5.811 -5.703 1.00 0.00 C ATOM 1429 O HIS A 94 -2.816 6.171 -4.609 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.113 7.018 -7.167 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.235 8.132 -8.178 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -3.941 9.463 -7.971 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -4.470 7.968 -9.515 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -4.014 10.091 -9.155 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -4.337 9.217 -10.127 1.00 0.00 N ATOM 0 H HIS A 94 -2.645 5.262 -8.521 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.113 7.590 -6.759 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.663 6.142 -7.512 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.562 7.324 -6.222 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.709 9.894 -7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.715 7.039 -10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.839 11.146 -9.306 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.600 4.743 -5.860 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.009 3.891 -4.840 1.00 0.00 C ATOM 1445 C ASN A 95 -0.662 4.654 -3.550 1.00 0.00 C ATOM 1446 O ASN A 95 -1.208 4.344 -2.487 1.00 0.00 O ATOM 1447 CB ASN A 95 0.226 3.182 -5.425 1.00 0.00 C ATOM 1448 CG ASN A 95 1.365 4.100 -5.891 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.156 5.269 -6.185 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.589 3.616 -5.923 1.00 0.00 N ATOM 0 H ASN A 95 -1.343 4.427 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.752 3.148 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.620 2.499 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.094 2.574 -6.271 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.368 4.216 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.758 2.641 -5.677 1.00 0.00 H new ATOM 1457 N VAL A 96 0.236 5.646 -3.599 1.00 0.00 N ATOM 1458 CA VAL A 96 0.740 6.354 -2.445 1.00 0.00 C ATOM 1459 C VAL A 96 -0.362 7.182 -1.791 1.00 0.00 C ATOM 1460 O VAL A 96 -0.355 7.363 -0.576 1.00 0.00 O ATOM 1461 CB VAL A 96 1.887 7.269 -2.894 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.566 7.874 -1.680 1.00 0.00 C ATOM 1463 CG2 VAL A 96 2.990 6.546 -3.667 1.00 0.00 C ATOM 0 H VAL A 96 0.636 5.978 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 96 1.099 5.634 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 96 1.421 8.010 -3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.380 8.523 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.842 8.457 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.965 7.078 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.764 7.260 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.425 5.769 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.569 6.094 -4.565 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.273 7.747 -2.574 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.310 8.613 -2.037 1.00 0.00 C ATOM 1475 C GLU A 97 -3.305 7.797 -1.225 1.00 0.00 C ATOM 1476 O GLU A 97 -3.560 8.138 -0.075 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.993 9.390 -3.153 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.020 10.374 -3.802 1.00 0.00 C ATOM 1479 CD GLU A 97 -2.812 11.375 -4.631 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -3.177 11.039 -5.783 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -3.083 12.483 -4.117 1.00 0.00 O ATOM 0 H GLU A 97 -1.313 7.619 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.853 9.343 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.373 8.698 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.852 9.930 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.441 10.892 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.309 9.841 -4.433 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.796 6.678 -1.766 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.614 5.741 -0.996 1.00 0.00 C ATOM 1490 C LYS A 98 -3.862 5.296 0.262 1.00 0.00 C ATOM 1491 O LYS A 98 -4.424 5.317 1.357 1.00 0.00 O ATOM 1492 CB LYS A 98 -4.967 4.525 -1.860 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.178 4.695 -2.787 1.00 0.00 C ATOM 1494 CD LYS A 98 -5.924 5.453 -4.094 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.175 5.394 -4.986 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.199 6.379 -4.588 1.00 0.00 N ATOM 0 H LYS A 98 -3.640 6.400 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.535 6.239 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.099 4.271 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.153 3.677 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.563 3.706 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.962 5.214 -2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.669 6.491 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.073 5.017 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.887 5.572 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.602 4.392 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.022 6.299 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.495 6.195 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.803 7.338 -4.655 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.575 4.956 0.125 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.770 4.516 1.258 1.00 0.00 C ATOM 1512 C LEU A 99 -1.671 5.608 2.329 1.00 0.00 C ATOM 1513 O LEU A 99 -1.726 5.317 3.522 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.376 4.056 0.785 1.00 0.00 C ATOM 1515 CG LEU A 99 0.536 3.603 1.941 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.042 2.418 2.699 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.904 3.140 1.438 1.00 0.00 C ATOM 0 H LEU A 99 -2.073 4.979 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.267 3.662 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.492 3.234 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.107 4.873 0.248 1.00 0.00 H new ATOM 0 HG LEU A 99 0.622 4.478 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.636 2.135 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.010 2.692 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.167 1.576 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.517 2.829 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.775 2.300 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.396 3.960 0.916 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.514 6.868 1.928 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.498 8.002 2.837 1.00 0.00 C ATOM 1531 C ARG A 100 -2.863 8.204 3.482 1.00 0.00 C ATOM 1532 O ARG A 100 -2.919 8.523 4.672 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.083 9.255 2.051 1.00 0.00 C ATOM 1534 CG ARG A 100 0.436 9.417 2.010 1.00 0.00 C ATOM 1535 CD ARG A 100 0.804 10.704 1.277 1.00 0.00 C ATOM 1536 NE ARG A 100 0.802 10.560 -0.189 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.461 11.390 -1.013 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.959 12.527 -0.543 1.00 0.00 N ATOM 1539 NH2 ARG A 100 1.633 11.079 -2.296 1.00 0.00 N ATOM 0 H ARG A 100 -1.393 7.129 0.949 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.783 7.813 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.470 9.192 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.531 10.137 2.508 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.835 9.439 3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.888 8.561 1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.102 11.488 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.792 11.029 1.602 1.00 0.00 H new ATOM 0 HE ARG A 100 0.273 9.790 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.840 12.767 0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.460 13.160 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.262 10.202 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.135 11.718 -2.913 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.944 8.058 2.720 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.321 8.274 3.158 1.00 0.00 C ATOM 1555 C ASP A 101 -5.678 7.369 4.323 1.00 0.00 C ATOM 1556 O ASP A 101 -6.324 7.812 5.269 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.289 8.060 1.991 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.675 8.597 2.365 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.401 7.937 3.147 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.017 9.689 1.867 1.00 0.00 O ATOM 0 H ASP A 101 -3.883 7.775 1.742 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.409 9.305 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.919 8.569 1.101 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.353 6.999 1.748 1.00 0.00 H new