USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 834 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 58 SER OG : rot 142:sc= 0.144 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -7.67! C(o=-7.5!,f=-8!) USER MOD Set 2.1: A 29 CYS SG : rot -170:sc= -4! USER MOD Set 2.2: A 38 CYS SG : rot 86:sc= -1.51 USER MOD Single : A 13 THR OG1 : rot 160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.5!) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.314 F(o=-1,f=-0.31) USER MOD Single : A 32 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 33 THR OG1 : rot -108:sc= -0.482 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.159) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.393 K(o=-0.39,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.302 USER MOD Single : A 51 GLN : amide:sc= 0.00363 K(o=0.0036,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0.111 (180deg=-0.391) USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= -0.89 (180deg=-1.07) USER MOD Single : A 65 MET CE :methyl -123:sc= -2.12 (180deg=-6.26!) USER MOD Single : A 70 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.3) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-1.5!) USER MOD Single : A 76 GLN : amide:sc= -0.0655 K(o=-0.065,f=-0.6) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.69 F(o=-3.7!,f=-1.7) USER MOD Single : A 86 SER OG : rot -64:sc= 1.03 USER MOD Single : A 88 MET CE :methyl -157:sc= -0.997 (180deg=-2.53) USER MOD Single : A 93 THR OG1 : rot 180:sc=0.000765 USER MOD Single : A 96 SER OG : rot 130:sc= -3.49 USER MOD Single : A 97 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.0051) USER MOD Single : A 99 MET CE :methyl 176:sc= -0.117 (180deg=-0.13) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.844 11.307 7.233 1.00 0.00 N ATOM 143 CA THR A 13 -4.125 10.052 7.365 1.00 0.00 C ATOM 144 C THR A 13 -2.661 10.311 7.724 1.00 0.00 C ATOM 145 O THR A 13 -2.047 11.243 7.206 1.00 0.00 O ATOM 146 CB THR A 13 -4.302 9.267 6.064 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.559 8.614 6.221 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.299 8.119 5.931 1.00 0.00 C ATOM 0 HA THR A 13 -4.525 9.451 8.181 1.00 0.00 H new ATOM 0 HB THR A 13 -4.194 9.942 5.215 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.905 8.355 5.342 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.469 7.595 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.285 8.518 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.428 7.425 6.761 1.00 0.00 H new ATOM 156 N LEU A 14 -2.143 9.470 8.607 1.00 0.00 N ATOM 157 CA LEU A 14 -0.762 9.596 9.041 1.00 0.00 C ATOM 158 C LEU A 14 0.077 8.497 8.385 1.00 0.00 C ATOM 159 O LEU A 14 -0.437 7.426 8.068 1.00 0.00 O ATOM 160 CB LEU A 14 -0.679 9.604 10.569 1.00 0.00 C ATOM 161 CG LEU A 14 -1.417 10.744 11.275 1.00 0.00 C ATOM 162 CD1 LEU A 14 -1.952 10.291 12.634 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.527 11.983 11.392 1.00 0.00 C ATOM 0 H LEU A 14 -2.655 8.698 9.034 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.347 10.550 8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.074 8.658 10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.372 9.645 10.856 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.278 11.023 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.472 11.120 13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.644 9.460 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.122 9.970 13.263 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.075 12.778 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.366 11.736 11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.237 12.318 10.396 1.00 0.00 H new ATOM 175 N ILE A 15 1.353 8.801 8.202 1.00 0.00 N ATOM 176 CA ILE A 15 2.268 7.853 7.590 1.00 0.00 C ATOM 177 C ILE A 15 2.359 6.601 8.466 1.00 0.00 C ATOM 178 O ILE A 15 2.384 5.483 7.955 1.00 0.00 O ATOM 179 CB ILE A 15 3.621 8.513 7.318 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.549 7.566 6.555 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.257 9.016 8.615 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.807 8.296 6.080 1.00 0.00 C ATOM 0 H ILE A 15 1.775 9.691 8.467 1.00 0.00 H new ATOM 0 HA ILE A 15 1.893 7.536 6.617 1.00 0.00 H new ATOM 0 HB ILE A 15 3.455 9.383 6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.829 6.731 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.022 7.147 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.218 9.481 8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.599 9.749 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.408 8.178 9.295 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.450 7.600 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.524 9.116 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.344 8.693 6.941 1.00 0.00 H new ATOM 194 N GLU A 16 2.407 6.832 9.770 1.00 0.00 N ATOM 195 CA GLU A 16 2.495 5.737 10.721 1.00 0.00 C ATOM 196 C GLU A 16 1.141 5.036 10.849 1.00 0.00 C ATOM 197 O GLU A 16 1.037 3.992 11.492 1.00 0.00 O ATOM 198 CB GLU A 16 2.987 6.232 12.082 1.00 0.00 C ATOM 199 CG GLU A 16 4.389 6.835 11.972 1.00 0.00 C ATOM 200 CD GLU A 16 4.797 7.517 13.280 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.461 8.712 13.425 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.435 6.828 14.104 1.00 0.00 O ATOM 0 H GLU A 16 2.387 7.761 10.190 1.00 0.00 H new ATOM 0 HA GLU A 16 3.222 5.015 10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.296 6.979 12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.998 5.405 12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.107 6.053 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.415 7.558 11.157 1.00 0.00 H new ATOM 209 N ASP A 17 0.138 5.637 10.227 1.00 0.00 N ATOM 210 CA ASP A 17 -1.205 5.082 10.264 1.00 0.00 C ATOM 211 C ASP A 17 -1.402 4.155 9.063 1.00 0.00 C ATOM 212 O ASP A 17 -2.145 3.178 9.143 1.00 0.00 O ATOM 213 CB ASP A 17 -2.260 6.188 10.185 1.00 0.00 C ATOM 214 CG ASP A 17 -3.015 6.455 11.489 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.524 5.980 12.536 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.066 7.126 11.409 1.00 0.00 O ATOM 0 H ASP A 17 0.228 6.502 9.695 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.320 4.539 11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.774 7.111 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.982 5.926 9.412 1.00 0.00 H new ATOM 221 N VAL A 18 -0.724 4.494 7.976 1.00 0.00 N ATOM 222 CA VAL A 18 -0.815 3.704 6.760 1.00 0.00 C ATOM 223 C VAL A 18 0.309 2.667 6.745 1.00 0.00 C ATOM 224 O VAL A 18 0.263 1.707 5.978 1.00 0.00 O ATOM 225 CB VAL A 18 -0.797 4.623 5.537 1.00 0.00 C ATOM 226 CG1 VAL A 18 -1.024 3.827 4.250 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.828 5.744 5.677 1.00 0.00 C ATOM 0 H VAL A 18 -0.109 5.305 7.912 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.759 3.160 6.728 1.00 0.00 H new ATOM 0 HB VAL A 18 0.190 5.082 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.007 4.504 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.236 3.082 4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.991 3.327 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.794 6.382 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.824 5.312 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.602 6.338 6.563 1.00 0.00 H new ATOM 237 N LEU A 19 1.293 2.895 7.603 1.00 0.00 N ATOM 238 CA LEU A 19 2.427 1.992 7.698 1.00 0.00 C ATOM 239 C LEU A 19 2.146 0.938 8.770 1.00 0.00 C ATOM 240 O LEU A 19 2.515 -0.225 8.615 1.00 0.00 O ATOM 241 CB LEU A 19 3.719 2.777 7.932 1.00 0.00 C ATOM 242 CG LEU A 19 4.394 3.347 6.682 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.435 2.372 6.129 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.356 3.736 5.628 1.00 0.00 C ATOM 0 H LEU A 19 1.328 3.692 8.238 1.00 0.00 H new ATOM 0 HA LEU A 19 2.570 1.460 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.502 3.601 8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.430 2.125 8.439 1.00 0.00 H new ATOM 0 HG LEU A 19 4.923 4.257 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.900 2.801 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.198 2.187 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.950 1.432 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.862 4.138 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.779 2.856 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.686 4.492 6.039 1.00 0.00 H new ATOM 256 N ARG A 20 1.494 1.382 9.835 1.00 0.00 N ATOM 257 CA ARG A 20 1.159 0.491 10.933 1.00 0.00 C ATOM 258 C ARG A 20 0.639 -0.843 10.394 1.00 0.00 C ATOM 259 O ARG A 20 1.113 -1.905 10.794 1.00 0.00 O ATOM 260 CB ARG A 20 0.098 1.114 11.843 1.00 0.00 C ATOM 261 CG ARG A 20 0.578 1.157 13.295 1.00 0.00 C ATOM 262 CD ARG A 20 1.681 2.201 13.477 1.00 0.00 C ATOM 263 NE ARG A 20 1.101 3.470 13.970 1.00 0.00 N ATOM 264 CZ ARG A 20 1.798 4.414 14.617 1.00 0.00 C ATOM 265 NH1 ARG A 20 3.105 4.237 14.854 1.00 0.00 N ATOM 266 NH2 ARG A 20 1.188 5.534 15.028 1.00 0.00 N ATOM 0 H ARG A 20 1.189 2.347 9.961 1.00 0.00 H new ATOM 0 HA ARG A 20 2.066 0.323 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.131 2.124 11.502 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.825 0.538 11.778 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.260 1.390 13.952 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.950 0.175 13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.427 1.835 14.182 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.193 2.370 12.530 1.00 0.00 H new ATOM 0 HE ARG A 20 0.108 3.637 13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.569 3.384 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.636 4.955 15.346 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.193 5.668 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.719 6.252 15.521 1.00 0.00 H new ATOM 280 N PRO A 21 -0.355 -0.742 9.470 1.00 0.00 N ATOM 281 CA PRO A 21 -0.944 -1.928 8.873 1.00 0.00 C ATOM 282 C PRO A 21 0.000 -2.549 7.840 1.00 0.00 C ATOM 283 O PRO A 21 0.308 -3.737 7.911 1.00 0.00 O ATOM 284 CB PRO A 21 -2.256 -1.454 8.269 1.00 0.00 C ATOM 285 CG PRO A 21 -2.135 0.056 8.143 1.00 0.00 C ATOM 286 CD PRO A 21 -0.941 0.499 8.973 1.00 0.00 C ATOM 0 HA PRO A 21 -1.119 -2.722 9.599 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.427 -1.915 7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.099 -1.727 8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.002 0.343 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.045 0.542 8.494 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.227 1.061 8.371 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.248 1.148 9.793 1.00 0.00 H new ATOM 294 N LEU A 22 0.432 -1.716 6.905 1.00 0.00 N ATOM 295 CA LEU A 22 1.334 -2.167 5.859 1.00 0.00 C ATOM 296 C LEU A 22 2.421 -3.050 6.476 1.00 0.00 C ATOM 297 O LEU A 22 2.807 -4.063 5.894 1.00 0.00 O ATOM 298 CB LEU A 22 1.883 -0.975 5.073 1.00 0.00 C ATOM 299 CG LEU A 22 1.121 -0.604 3.799 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.580 0.752 3.261 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.243 -1.709 2.747 1.00 0.00 C ATOM 0 H LEU A 22 0.174 -0.731 6.850 1.00 0.00 H new ATOM 0 HA LEU A 22 0.799 -2.778 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.896 -0.106 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.918 -1.187 4.805 1.00 0.00 H new ATOM 0 HG LEU A 22 0.064 -0.510 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.023 0.992 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.400 1.521 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.645 0.711 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.693 -1.421 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.293 -1.858 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.830 -2.636 3.144 1.00 0.00 H new ATOM 313 N GLU A 23 2.883 -2.634 7.646 1.00 0.00 N ATOM 314 CA GLU A 23 3.918 -3.375 8.347 1.00 0.00 C ATOM 315 C GLU A 23 3.338 -4.655 8.951 1.00 0.00 C ATOM 316 O GLU A 23 3.908 -5.734 8.794 1.00 0.00 O ATOM 317 CB GLU A 23 4.576 -2.510 9.425 1.00 0.00 C ATOM 318 CG GLU A 23 5.795 -1.772 8.867 1.00 0.00 C ATOM 319 CD GLU A 23 6.847 -1.551 9.956 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.666 -0.590 10.733 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.809 -2.349 9.985 1.00 0.00 O ATOM 0 H GLU A 23 2.560 -1.794 8.126 1.00 0.00 H new ATOM 0 HA GLU A 23 4.689 -3.653 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.854 -1.789 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.878 -3.136 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.229 -2.346 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.486 -0.812 8.454 1.00 0.00 H new ATOM 328 N GLN A 24 2.211 -4.494 9.629 1.00 0.00 N ATOM 329 CA GLN A 24 1.547 -5.624 10.256 1.00 0.00 C ATOM 330 C GLN A 24 1.465 -6.800 9.281 1.00 0.00 C ATOM 331 O GLN A 24 1.769 -7.935 9.644 1.00 0.00 O ATOM 332 CB GLN A 24 0.157 -5.233 10.761 1.00 0.00 C ATOM 333 CG GLN A 24 0.251 -4.437 12.065 1.00 0.00 C ATOM 334 CD GLN A 24 0.410 -5.371 13.267 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.004 -6.519 13.253 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.030 -4.817 14.304 1.00 0.00 N ATOM 0 H GLN A 24 1.741 -3.598 9.758 1.00 0.00 H new ATOM 0 HA GLN A 24 2.137 -5.933 11.119 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.355 -4.639 10.004 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.441 -6.130 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.098 -3.752 12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.644 -3.828 12.189 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.351 -3.851 14.249 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.184 -5.358 15.155 1.00 0.00 H new ATOM 345 N ALA A 25 1.052 -6.489 8.061 1.00 0.00 N ATOM 346 CA ALA A 25 0.926 -7.505 7.031 1.00 0.00 C ATOM 347 C ALA A 25 2.277 -8.194 6.832 1.00 0.00 C ATOM 348 O ALA A 25 2.375 -9.417 6.928 1.00 0.00 O ATOM 349 CB ALA A 25 0.402 -6.866 5.743 1.00 0.00 C ATOM 0 H ALA A 25 0.800 -5.547 7.763 1.00 0.00 H new ATOM 0 HA ALA A 25 0.208 -8.268 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.308 -7.629 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.573 -6.417 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.098 -6.096 5.410 1.00 0.00 H new ATOM 355 N LEU A 26 3.286 -7.380 6.560 1.00 0.00 N ATOM 356 CA LEU A 26 4.628 -7.896 6.347 1.00 0.00 C ATOM 357 C LEU A 26 4.934 -8.960 7.402 1.00 0.00 C ATOM 358 O LEU A 26 5.292 -10.088 7.065 1.00 0.00 O ATOM 359 CB LEU A 26 5.643 -6.751 6.315 1.00 0.00 C ATOM 360 CG LEU A 26 7.082 -7.141 5.972 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.143 -7.898 4.644 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.997 -5.915 5.974 1.00 0.00 C ATOM 0 H LEU A 26 3.201 -6.366 6.482 1.00 0.00 H new ATOM 0 HA LEU A 26 4.700 -8.382 5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.305 -6.012 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.642 -6.263 7.290 1.00 0.00 H new ATOM 0 HG LEU A 26 7.446 -7.817 6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.177 -8.163 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.543 -8.805 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.753 -7.266 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.014 -6.220 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.644 -5.196 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.986 -5.454 6.962 1.00 0.00 H new ATOM 374 N GLU A 27 4.781 -8.565 8.657 1.00 0.00 N ATOM 375 CA GLU A 27 5.037 -9.471 9.764 1.00 0.00 C ATOM 376 C GLU A 27 4.490 -10.864 9.446 1.00 0.00 C ATOM 377 O GLU A 27 5.153 -11.868 9.699 1.00 0.00 O ATOM 378 CB GLU A 27 4.439 -8.931 11.064 1.00 0.00 C ATOM 379 CG GLU A 27 5.510 -8.251 11.919 1.00 0.00 C ATOM 380 CD GLU A 27 6.129 -9.239 12.911 1.00 0.00 C ATOM 381 OE1 GLU A 27 5.394 -9.650 13.835 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.322 -9.561 12.722 1.00 0.00 O ATOM 0 H GLU A 27 4.483 -7.629 8.932 1.00 0.00 H new ATOM 0 HA GLU A 27 6.115 -9.548 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.645 -8.220 10.835 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.984 -9.747 11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.288 -7.841 11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.070 -7.414 12.461 1.00 0.00 H new ATOM 389 N ASP A 28 3.284 -10.880 8.895 1.00 0.00 N ATOM 390 CA ASP A 28 2.641 -12.134 8.540 1.00 0.00 C ATOM 391 C ASP A 28 3.452 -12.826 7.443 1.00 0.00 C ATOM 392 O ASP A 28 3.850 -13.980 7.594 1.00 0.00 O ATOM 393 CB ASP A 28 1.228 -11.894 8.004 1.00 0.00 C ATOM 394 CG ASP A 28 0.109 -12.549 8.817 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.357 -11.892 9.774 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.257 -13.691 8.463 1.00 0.00 O ATOM 0 H ASP A 28 2.736 -10.045 8.686 1.00 0.00 H new ATOM 0 HA ASP A 28 2.587 -12.752 9.436 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.048 -10.820 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.176 -12.263 6.980 1.00 0.00 H new ATOM 401 N CYS A 29 3.673 -12.091 6.363 1.00 0.00 N ATOM 402 CA CYS A 29 4.429 -12.620 5.240 1.00 0.00 C ATOM 403 C CYS A 29 5.786 -13.099 5.759 1.00 0.00 C ATOM 404 O CYS A 29 6.230 -14.197 5.426 1.00 0.00 O ATOM 405 CB CYS A 29 4.577 -11.587 4.121 1.00 0.00 C ATOM 406 SG CYS A 29 6.343 -11.165 3.889 1.00 0.00 S ATOM 0 H CYS A 29 3.342 -11.134 6.242 1.00 0.00 H new ATOM 0 HA CYS A 29 3.892 -13.460 4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.164 -11.982 3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.009 -10.689 4.366 1.00 0.00 H new ATOM 0 HG CYS A 29 6.444 -10.143 3.092 1.00 0.00 H new ATOM 412 N HIS A 30 6.409 -12.251 6.565 1.00 0.00 N ATOM 413 CA HIS A 30 7.707 -12.574 7.132 1.00 0.00 C ATOM 414 C HIS A 30 7.660 -13.968 7.761 1.00 0.00 C ATOM 415 O HIS A 30 8.690 -14.625 7.899 1.00 0.00 O ATOM 416 CB HIS A 30 8.152 -11.493 8.120 1.00 0.00 C ATOM 417 CG HIS A 30 8.852 -12.031 9.345 1.00 0.00 C ATOM 418 ND1 HIS A 30 8.371 -12.736 10.409 1.00 0.00 N flip ATOM 419 CD2 HIS A 30 10.207 -11.860 9.569 1.00 0.00 C flip ATOM 420 CE1 HIS A 30 9.378 -12.984 11.237 1.00 0.00 C flip ATOM 421 NE2 HIS A 30 10.517 -12.442 10.719 1.00 0.00 N flip ATOM 0 H HIS A 30 6.039 -11.341 6.839 1.00 0.00 H new ATOM 0 HA HIS A 30 8.458 -12.595 6.342 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.819 -10.800 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.279 -10.921 8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 30 10.895 -11.341 8.918 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.307 -13.526 12.168 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.444 -12.478 11.142 1.00 0.00 H new ATOM 429 N GLY A 31 6.453 -14.378 8.125 1.00 0.00 N ATOM 430 CA GLY A 31 6.259 -15.682 8.735 1.00 0.00 C ATOM 431 C GLY A 31 5.311 -16.543 7.898 1.00 0.00 C ATOM 432 O GLY A 31 4.543 -17.336 8.441 1.00 0.00 O ATOM 0 H GLY A 31 5.601 -13.830 8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.220 -16.186 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.854 -15.561 9.740 1.00 0.00 H new ATOM 436 N HIS A 32 5.396 -16.358 6.589 1.00 0.00 N ATOM 437 CA HIS A 32 4.555 -17.108 5.671 1.00 0.00 C ATOM 438 C HIS A 32 5.174 -17.084 4.272 1.00 0.00 C ATOM 439 O HIS A 32 5.610 -18.115 3.764 1.00 0.00 O ATOM 440 CB HIS A 32 3.120 -16.580 5.694 1.00 0.00 C ATOM 441 CG HIS A 32 2.274 -17.148 6.809 1.00 0.00 C ATOM 442 ND1 HIS A 32 2.010 -18.501 6.935 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.637 -16.534 7.847 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.247 -18.681 8.003 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.017 -17.460 8.566 1.00 0.00 N ATOM 0 H HIS A 32 6.034 -15.700 6.142 1.00 0.00 H new ATOM 0 HA HIS A 32 4.502 -18.149 5.989 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.145 -15.494 5.788 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.645 -16.807 4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.637 -15.473 8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.873 -19.628 8.364 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.460 -17.287 9.403 1.00 0.00 H new ATOM 453 N THR A 33 5.191 -15.894 3.688 1.00 0.00 N ATOM 454 CA THR A 33 5.749 -15.722 2.358 1.00 0.00 C ATOM 455 C THR A 33 7.263 -15.943 2.381 1.00 0.00 C ATOM 456 O THR A 33 7.915 -15.693 3.394 1.00 0.00 O ATOM 457 CB THR A 33 5.345 -14.335 1.852 1.00 0.00 C ATOM 458 OG1 THR A 33 4.158 -14.572 1.100 1.00 0.00 O ATOM 459 CG2 THR A 33 6.332 -13.776 0.825 1.00 0.00 C ATOM 0 H THR A 33 4.827 -15.040 4.112 1.00 0.00 H new ATOM 0 HA THR A 33 5.355 -16.465 1.665 1.00 0.00 H new ATOM 0 HB THR A 33 5.271 -13.648 2.695 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.351 -14.472 0.144 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.999 -12.791 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.320 -13.693 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.381 -14.445 -0.034 1.00 0.00 H new ATOM 467 N LYS A 34 7.778 -16.408 1.253 1.00 0.00 N ATOM 468 CA LYS A 34 9.203 -16.666 1.131 1.00 0.00 C ATOM 469 C LYS A 34 9.981 -15.510 1.762 1.00 0.00 C ATOM 470 O LYS A 34 9.542 -14.362 1.715 1.00 0.00 O ATOM 471 CB LYS A 34 9.576 -16.934 -0.328 1.00 0.00 C ATOM 472 CG LYS A 34 8.889 -18.199 -0.846 1.00 0.00 C ATOM 473 CD LYS A 34 9.902 -19.153 -1.483 1.00 0.00 C ATOM 474 CE LYS A 34 10.264 -18.702 -2.899 1.00 0.00 C ATOM 475 NZ LYS A 34 11.531 -17.937 -2.891 1.00 0.00 N ATOM 0 H LYS A 34 7.234 -16.613 0.415 1.00 0.00 H new ATOM 0 HA LYS A 34 9.475 -17.570 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.288 -16.082 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.657 -17.041 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.378 -18.701 -0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.128 -17.930 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.802 -19.196 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.489 -20.161 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.361 -19.571 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.463 -18.086 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.877 -17.828 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.367 -16.998 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.241 -18.446 -2.327 1.00 0.00 H new ATOM 489 N LYS A 35 11.124 -15.853 2.339 1.00 0.00 N ATOM 490 CA LYS A 35 11.968 -14.858 2.978 1.00 0.00 C ATOM 491 C LYS A 35 12.471 -13.869 1.925 1.00 0.00 C ATOM 492 O LYS A 35 12.721 -12.704 2.231 1.00 0.00 O ATOM 493 CB LYS A 35 13.088 -15.535 3.771 1.00 0.00 C ATOM 494 CG LYS A 35 14.202 -16.020 2.841 1.00 0.00 C ATOM 495 CD LYS A 35 13.765 -17.263 2.064 1.00 0.00 C ATOM 496 CE LYS A 35 14.976 -18.095 1.636 1.00 0.00 C ATOM 497 NZ LYS A 35 15.309 -19.097 2.673 1.00 0.00 N ATOM 0 H LYS A 35 11.485 -16.806 2.377 1.00 0.00 H new ATOM 0 HA LYS A 35 11.395 -14.284 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.497 -14.835 4.500 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.684 -16.378 4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.470 -15.226 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.095 -16.246 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.103 -17.869 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.195 -16.965 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.765 -18.597 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.832 -17.442 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.133 -19.653 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.531 -18.612 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.497 -19.731 2.816 1.00 0.00 H new ATOM 511 N GLN A 36 12.605 -14.369 0.705 1.00 0.00 N ATOM 512 CA GLN A 36 13.074 -13.545 -0.395 1.00 0.00 C ATOM 513 C GLN A 36 12.022 -12.495 -0.758 1.00 0.00 C ATOM 514 O GLN A 36 12.302 -11.297 -0.738 1.00 0.00 O ATOM 515 CB GLN A 36 13.434 -14.403 -1.609 1.00 0.00 C ATOM 516 CG GLN A 36 14.248 -15.629 -1.192 1.00 0.00 C ATOM 517 CD GLN A 36 15.665 -15.567 -1.766 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.982 -14.755 -2.620 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.498 -16.467 -1.251 1.00 0.00 N ATOM 0 H GLN A 36 12.397 -15.336 0.455 1.00 0.00 H new ATOM 0 HA GLN A 36 13.979 -13.029 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.523 -14.722 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.005 -13.809 -2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.294 -15.686 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.751 -16.535 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.168 -17.118 -0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.467 -16.506 -1.568 1.00 0.00 H new ATOM 528 N VAL A 37 10.833 -12.982 -1.080 1.00 0.00 N ATOM 529 CA VAL A 37 9.737 -12.101 -1.447 1.00 0.00 C ATOM 530 C VAL A 37 9.460 -11.133 -0.295 1.00 0.00 C ATOM 531 O VAL A 37 9.050 -9.995 -0.521 1.00 0.00 O ATOM 532 CB VAL A 37 8.511 -12.927 -1.843 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.375 -12.024 -2.327 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.872 -13.971 -2.901 1.00 0.00 C ATOM 0 H VAL A 37 10.604 -13.976 -1.094 1.00 0.00 H new ATOM 0 HA VAL A 37 10.003 -11.502 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 37 8.163 -13.457 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.516 -12.636 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.091 -11.337 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.708 -11.454 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.983 -14.544 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.258 -13.471 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.633 -14.643 -2.504 1.00 0.00 H new ATOM 544 N CYS A 38 9.693 -11.621 0.914 1.00 0.00 N ATOM 545 CA CYS A 38 9.474 -10.813 2.102 1.00 0.00 C ATOM 546 C CYS A 38 10.498 -9.676 2.106 1.00 0.00 C ATOM 547 O CYS A 38 10.134 -8.509 2.241 1.00 0.00 O ATOM 548 CB CYS A 38 9.548 -11.652 3.379 1.00 0.00 C ATOM 549 SG CYS A 38 9.448 -10.566 4.849 1.00 0.00 S ATOM 0 H CYS A 38 10.031 -12.566 1.097 1.00 0.00 H new ATOM 0 HA CYS A 38 8.468 -10.394 2.079 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.734 -12.376 3.396 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.479 -12.219 3.398 1.00 0.00 H new ATOM 0 HG CYS A 38 8.201 -10.353 5.147 1.00 0.00 H new ATOM 555 N ASP A 39 11.758 -10.057 1.956 1.00 0.00 N ATOM 556 CA ASP A 39 12.837 -9.084 1.941 1.00 0.00 C ATOM 557 C ASP A 39 12.548 -8.026 0.875 1.00 0.00 C ATOM 558 O ASP A 39 12.909 -6.861 1.037 1.00 0.00 O ATOM 559 CB ASP A 39 14.172 -9.748 1.599 1.00 0.00 C ATOM 560 CG ASP A 39 15.409 -9.032 2.145 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.458 -7.792 1.999 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.278 -9.741 2.697 1.00 0.00 O ATOM 0 H ASP A 39 12.056 -11.026 1.844 1.00 0.00 H new ATOM 0 HA ASP A 39 12.901 -8.635 2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.162 -10.768 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.259 -9.816 0.515 1.00 0.00 H new ATOM 567 N ASP A 40 11.901 -8.469 -0.193 1.00 0.00 N ATOM 568 CA ASP A 40 11.560 -7.574 -1.286 1.00 0.00 C ATOM 569 C ASP A 40 10.492 -6.585 -0.815 1.00 0.00 C ATOM 570 O ASP A 40 10.738 -5.381 -0.757 1.00 0.00 O ATOM 571 CB ASP A 40 10.994 -8.350 -2.477 1.00 0.00 C ATOM 572 CG ASP A 40 10.962 -7.576 -3.796 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.058 -7.184 -4.251 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.842 -7.394 -4.321 1.00 0.00 O ATOM 0 H ASP A 40 11.604 -9.436 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 40 12.468 -7.055 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.587 -9.254 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.980 -8.669 -2.235 1.00 0.00 H new ATOM 579 N ILE A 41 9.328 -7.129 -0.491 1.00 0.00 N ATOM 580 CA ILE A 41 8.222 -6.310 -0.027 1.00 0.00 C ATOM 581 C ILE A 41 8.749 -5.247 0.938 1.00 0.00 C ATOM 582 O ILE A 41 8.640 -4.051 0.671 1.00 0.00 O ATOM 583 CB ILE A 41 7.118 -7.187 0.567 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.473 -8.062 -0.509 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.085 -6.338 1.311 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.804 -9.290 0.111 1.00 0.00 C ATOM 0 H ILE A 41 9.127 -8.128 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 41 7.763 -5.782 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 41 7.571 -7.858 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.734 -7.481 -1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.230 -8.379 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.311 -6.985 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.574 -5.796 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.633 -5.627 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.353 -9.895 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.550 -9.882 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.031 -8.969 0.810 1.00 0.00 H new ATOM 598 N SER A 42 9.311 -5.721 2.040 1.00 0.00 N ATOM 599 CA SER A 42 9.857 -4.826 3.047 1.00 0.00 C ATOM 600 C SER A 42 10.662 -3.712 2.375 1.00 0.00 C ATOM 601 O SER A 42 10.408 -2.531 2.607 1.00 0.00 O ATOM 602 CB SER A 42 10.732 -5.587 4.044 1.00 0.00 C ATOM 603 OG SER A 42 11.824 -6.242 3.404 1.00 0.00 O ATOM 0 H SER A 42 9.400 -6.713 2.258 1.00 0.00 H new ATOM 0 HA SER A 42 9.027 -4.384 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.114 -4.894 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.125 -6.324 4.570 1.00 0.00 H new ATOM 0 HG SER A 42 12.360 -6.716 4.074 1.00 0.00 H new ATOM 609 N ARG A 43 11.617 -4.127 1.557 1.00 0.00 N ATOM 610 CA ARG A 43 12.462 -3.179 0.850 1.00 0.00 C ATOM 611 C ARG A 43 11.607 -2.093 0.194 1.00 0.00 C ATOM 612 O ARG A 43 11.985 -0.923 0.182 1.00 0.00 O ATOM 613 CB ARG A 43 13.297 -3.879 -0.224 1.00 0.00 C ATOM 614 CG ARG A 43 14.742 -4.067 0.243 1.00 0.00 C ATOM 615 CD ARG A 43 15.616 -4.613 -0.888 1.00 0.00 C ATOM 616 NE ARG A 43 16.206 -3.495 -1.658 1.00 0.00 N ATOM 617 CZ ARG A 43 17.284 -3.610 -2.445 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.898 -4.795 -2.571 1.00 0.00 N ATOM 619 NH2 ARG A 43 17.749 -2.541 -3.106 1.00 0.00 N ATOM 0 H ARG A 43 11.825 -5.107 1.367 1.00 0.00 H new ATOM 0 HA ARG A 43 13.134 -2.727 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.857 -4.849 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.281 -3.292 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.143 -3.115 0.590 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.768 -4.752 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.407 -5.239 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.020 -5.244 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 43 15.764 -2.579 -1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.544 -5.609 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.719 -4.883 -3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.282 -1.639 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.570 -2.629 -3.705 1.00 0.00 H new ATOM 633 N ARG A 44 10.470 -2.520 -0.337 1.00 0.00 N ATOM 634 CA ARG A 44 9.558 -1.599 -0.994 1.00 0.00 C ATOM 635 C ARG A 44 8.918 -0.663 0.034 1.00 0.00 C ATOM 636 O ARG A 44 8.691 0.513 -0.249 1.00 0.00 O ATOM 637 CB ARG A 44 8.457 -2.353 -1.741 1.00 0.00 C ATOM 638 CG ARG A 44 9.053 -3.307 -2.778 1.00 0.00 C ATOM 639 CD ARG A 44 9.617 -2.536 -3.973 1.00 0.00 C ATOM 640 NE ARG A 44 10.668 -3.335 -4.641 1.00 0.00 N ATOM 641 CZ ARG A 44 11.148 -3.072 -5.864 1.00 0.00 C ATOM 642 NH1 ARG A 44 10.674 -2.030 -6.561 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.102 -3.852 -6.391 1.00 0.00 N ATOM 0 H ARG A 44 10.160 -3.492 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 44 10.135 -1.017 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.850 -2.915 -1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.794 -1.642 -2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.843 -3.901 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.287 -4.004 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.818 -2.308 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.029 -1.584 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 44 11.051 -4.136 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.947 -1.437 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.040 -1.830 -7.492 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.462 -4.646 -5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.468 -3.652 -7.322 1.00 0.00 H new ATOM 657 N LEU A 45 8.645 -1.219 1.205 1.00 0.00 N ATOM 658 CA LEU A 45 8.036 -0.449 2.276 1.00 0.00 C ATOM 659 C LEU A 45 8.949 0.725 2.636 1.00 0.00 C ATOM 660 O LEU A 45 8.524 1.879 2.606 1.00 0.00 O ATOM 661 CB LEU A 45 7.700 -1.353 3.462 1.00 0.00 C ATOM 662 CG LEU A 45 6.858 -2.591 3.145 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.296 -3.215 4.424 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.756 -2.260 2.136 1.00 0.00 C ATOM 0 H LEU A 45 8.835 -2.194 1.436 1.00 0.00 H new ATOM 0 HA LEU A 45 7.086 -0.026 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.634 -1.680 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.171 -0.759 4.207 1.00 0.00 H new ATOM 0 HG LEU A 45 7.506 -3.336 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.702 -4.093 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.118 -3.510 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.667 -2.488 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.172 -3.157 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.104 -1.490 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.206 -1.897 1.212 1.00 0.00 H new ATOM 676 N ALA A 46 10.187 0.390 2.970 1.00 0.00 N ATOM 677 CA ALA A 46 11.163 1.402 3.336 1.00 0.00 C ATOM 678 C ALA A 46 11.011 2.610 2.410 1.00 0.00 C ATOM 679 O ALA A 46 11.005 3.752 2.869 1.00 0.00 O ATOM 680 CB ALA A 46 12.568 0.799 3.282 1.00 0.00 C ATOM 0 H ALA A 46 10.536 -0.568 2.995 1.00 0.00 H new ATOM 0 HA ALA A 46 10.995 1.746 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.301 1.558 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.632 -0.036 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.773 0.445 2.272 1.00 0.00 H new ATOM 686 N LEU A 47 10.891 2.318 1.123 1.00 0.00 N ATOM 687 CA LEU A 47 10.739 3.366 0.129 1.00 0.00 C ATOM 688 C LEU A 47 9.382 4.047 0.315 1.00 0.00 C ATOM 689 O LEU A 47 9.312 5.262 0.495 1.00 0.00 O ATOM 690 CB LEU A 47 10.959 2.806 -1.278 1.00 0.00 C ATOM 691 CG LEU A 47 11.646 3.743 -2.273 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.927 3.028 -3.596 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.830 5.022 -2.476 1.00 0.00 C ATOM 0 H LEU A 47 10.896 1.370 0.746 1.00 0.00 H new ATOM 0 HA LEU A 47 11.502 4.133 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.553 1.896 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.991 2.519 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 47 12.609 4.037 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.416 3.717 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.578 2.172 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.988 2.685 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.341 5.670 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.843 4.767 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.724 5.541 -1.523 1.00 0.00 H new ATOM 705 N LEU A 48 8.337 3.235 0.265 1.00 0.00 N ATOM 706 CA LEU A 48 6.985 3.744 0.426 1.00 0.00 C ATOM 707 C LEU A 48 6.971 4.802 1.531 1.00 0.00 C ATOM 708 O LEU A 48 6.486 5.914 1.324 1.00 0.00 O ATOM 709 CB LEU A 48 6.004 2.594 0.665 1.00 0.00 C ATOM 710 CG LEU A 48 4.667 2.974 1.303 1.00 0.00 C ATOM 711 CD1 LEU A 48 4.082 4.226 0.646 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.689 1.798 1.269 1.00 0.00 C ATOM 0 H LEU A 48 8.399 2.228 0.115 1.00 0.00 H new ATOM 0 HA LEU A 48 6.651 4.233 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.803 2.110 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.490 1.854 1.301 1.00 0.00 H new ATOM 0 HG LEU A 48 4.845 3.214 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.132 4.474 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.776 5.058 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.922 4.039 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.747 2.095 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.511 1.503 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.112 0.957 1.819 1.00 0.00 H new ATOM 724 N ARG A 49 7.510 4.420 2.679 1.00 0.00 N ATOM 725 CA ARG A 49 7.566 5.323 3.817 1.00 0.00 C ATOM 726 C ARG A 49 8.413 6.551 3.478 1.00 0.00 C ATOM 727 O ARG A 49 8.032 7.678 3.791 1.00 0.00 O ATOM 728 CB ARG A 49 8.157 4.627 5.044 1.00 0.00 C ATOM 729 CG ARG A 49 8.250 5.590 6.229 1.00 0.00 C ATOM 730 CD ARG A 49 9.264 5.093 7.262 1.00 0.00 C ATOM 731 NE ARG A 49 9.568 6.169 8.231 1.00 0.00 N ATOM 732 CZ ARG A 49 8.726 6.574 9.191 1.00 0.00 C ATOM 733 NH1 ARG A 49 7.524 5.997 9.317 1.00 0.00 N ATOM 734 NH2 ARG A 49 9.087 7.558 10.027 1.00 0.00 N ATOM 0 H ARG A 49 7.912 3.498 2.846 1.00 0.00 H new ATOM 0 HA ARG A 49 6.546 5.632 4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.538 3.771 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.148 4.241 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.541 6.579 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.271 5.693 6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.866 4.223 7.785 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.178 4.774 6.762 1.00 0.00 H new ATOM 0 HE ARG A 49 10.475 6.631 8.164 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.249 5.248 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.884 6.306 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.002 7.998 9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.446 7.867 10.758 1.00 0.00 H new ATOM 748 N GLU A 50 9.547 6.292 2.843 1.00 0.00 N ATOM 749 CA GLU A 50 10.451 7.362 2.459 1.00 0.00 C ATOM 750 C GLU A 50 9.755 8.324 1.494 1.00 0.00 C ATOM 751 O GLU A 50 9.833 9.540 1.661 1.00 0.00 O ATOM 752 CB GLU A 50 11.735 6.801 1.843 1.00 0.00 C ATOM 753 CG GLU A 50 12.645 6.208 2.920 1.00 0.00 C ATOM 754 CD GLU A 50 13.805 5.432 2.292 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.738 6.104 1.802 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.731 4.184 2.314 1.00 0.00 O ATOM 0 H GLU A 50 9.860 5.356 2.585 1.00 0.00 H new ATOM 0 HA GLU A 50 10.729 7.916 3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.486 6.034 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.263 7.592 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.036 7.006 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.067 5.546 3.565 1.00 0.00 H new ATOM 763 N GLN A 51 9.091 7.743 0.506 1.00 0.00 N ATOM 764 CA GLN A 51 8.382 8.534 -0.486 1.00 0.00 C ATOM 765 C GLN A 51 7.184 9.237 0.154 1.00 0.00 C ATOM 766 O GLN A 51 6.885 10.385 -0.174 1.00 0.00 O ATOM 767 CB GLN A 51 7.942 7.666 -1.667 1.00 0.00 C ATOM 768 CG GLN A 51 8.831 7.910 -2.888 1.00 0.00 C ATOM 769 CD GLN A 51 8.020 7.825 -4.182 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.247 8.707 -4.520 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.238 6.717 -4.885 1.00 0.00 N ATOM 0 H GLN A 51 9.029 6.734 0.371 1.00 0.00 H new ATOM 0 HA GLN A 51 9.062 9.294 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.985 6.614 -1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.904 7.886 -1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.299 8.892 -2.812 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.635 7.175 -2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.899 6.019 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.744 6.566 -5.765 1.00 0.00 H new ATOM 780 N TRP A 52 6.529 8.520 1.056 1.00 0.00 N ATOM 781 CA TRP A 52 5.370 9.062 1.744 1.00 0.00 C ATOM 782 C TRP A 52 5.829 10.268 2.566 1.00 0.00 C ATOM 783 O TRP A 52 5.375 11.388 2.338 1.00 0.00 O ATOM 784 CB TRP A 52 4.684 7.987 2.591 1.00 0.00 C ATOM 785 CG TRP A 52 3.480 8.496 3.386 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.441 9.500 4.272 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.133 7.981 3.330 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.173 9.669 4.790 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.352 8.716 4.198 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.592 6.929 2.570 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.014 8.478 4.389 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.225 6.703 2.773 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.575 7.435 3.643 1.00 0.00 C ATOM 0 H TRP A 52 6.779 7.569 1.326 1.00 0.00 H new ATOM 0 HA TRP A 52 4.617 9.395 1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.359 7.177 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.412 7.565 3.284 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.295 10.102 4.547 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.890 10.365 5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.184 6.342 1.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.604 9.068 5.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.240 5.904 2.215 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.624 7.200 3.743 1.00 0.00 H new ATOM 804 N ALA A 53 6.723 9.998 3.506 1.00 0.00 N ATOM 805 CA ALA A 53 7.248 11.047 4.363 1.00 0.00 C ATOM 806 C ALA A 53 7.958 12.094 3.503 1.00 0.00 C ATOM 807 O ALA A 53 7.614 13.275 3.546 1.00 0.00 O ATOM 808 CB ALA A 53 8.174 10.432 5.414 1.00 0.00 C ATOM 0 H ALA A 53 7.097 9.068 3.693 1.00 0.00 H new ATOM 0 HA ALA A 53 6.439 11.549 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.568 11.219 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.615 9.716 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.000 9.922 4.918 1.00 0.00 H new ATOM 814 N GLY A 54 8.935 11.625 2.741 1.00 0.00 N ATOM 815 CA GLY A 54 9.695 12.507 1.872 1.00 0.00 C ATOM 816 C GLY A 54 8.800 13.595 1.275 1.00 0.00 C ATOM 817 O GLY A 54 9.247 14.720 1.056 1.00 0.00 O ATOM 0 H GLY A 54 9.218 10.646 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.506 12.968 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.153 11.927 1.070 1.00 0.00 H new ATOM 821 N GLY A 55 7.553 13.222 1.030 1.00 0.00 N ATOM 822 CA GLY A 55 6.591 14.152 0.464 1.00 0.00 C ATOM 823 C GLY A 55 6.471 13.963 -1.050 1.00 0.00 C ATOM 824 O GLY A 55 5.814 14.752 -1.727 1.00 0.00 O ATOM 0 H GLY A 55 7.186 12.288 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.617 14.003 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.896 15.175 0.683 1.00 0.00 H new ATOM 828 N LYS A 56 7.117 12.913 -1.536 1.00 0.00 N ATOM 829 CA LYS A 56 7.091 12.610 -2.956 1.00 0.00 C ATOM 830 C LYS A 56 5.701 12.097 -3.339 1.00 0.00 C ATOM 831 O LYS A 56 5.389 11.963 -4.521 1.00 0.00 O ATOM 832 CB LYS A 56 8.223 11.648 -3.320 1.00 0.00 C ATOM 833 CG LYS A 56 9.543 12.400 -3.506 1.00 0.00 C ATOM 834 CD LYS A 56 10.082 12.218 -4.926 1.00 0.00 C ATOM 835 CE LYS A 56 10.429 10.753 -5.198 1.00 0.00 C ATOM 836 NZ LYS A 56 11.553 10.656 -6.156 1.00 0.00 N ATOM 0 H LYS A 56 7.662 12.262 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 56 7.270 13.512 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.334 10.899 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.972 11.115 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.393 13.460 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.277 12.038 -2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.339 12.559 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.968 12.837 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.695 10.257 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.557 10.235 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.776 9.655 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.286 11.112 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.388 11.133 -5.761 1.00 0.00 H new ATOM 850 N LEU A 57 4.904 11.824 -2.316 1.00 0.00 N ATOM 851 CA LEU A 57 3.555 11.329 -2.530 1.00 0.00 C ATOM 852 C LEU A 57 2.570 12.497 -2.459 1.00 0.00 C ATOM 853 O LEU A 57 2.739 13.407 -1.649 1.00 0.00 O ATOM 854 CB LEU A 57 3.238 10.196 -1.551 1.00 0.00 C ATOM 855 CG LEU A 57 4.095 8.936 -1.684 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.634 7.854 -0.706 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.110 8.433 -3.130 1.00 0.00 C ATOM 0 H LEU A 57 5.167 11.936 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 57 3.463 10.894 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.345 10.579 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.192 9.915 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 57 5.121 9.192 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.260 6.969 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.717 8.227 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.596 7.594 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.726 7.536 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.093 8.199 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.521 9.205 -3.780 1.00 0.00 H new ATOM 869 N SER A 58 1.562 12.434 -3.317 1.00 0.00 N ATOM 870 CA SER A 58 0.550 13.475 -3.361 1.00 0.00 C ATOM 871 C SER A 58 -0.396 13.336 -2.166 1.00 0.00 C ATOM 872 O SER A 58 -0.447 12.285 -1.529 1.00 0.00 O ATOM 873 CB SER A 58 -0.238 13.422 -4.671 1.00 0.00 C ATOM 874 OG SER A 58 0.577 13.019 -5.768 1.00 0.00 O ATOM 0 H SER A 58 1.425 11.678 -3.987 1.00 0.00 H new ATOM 0 HA SER A 58 1.051 14.442 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.072 12.728 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.664 14.404 -4.878 1.00 0.00 H new ATOM 0 HG SER A 58 0.059 12.440 -6.365 1.00 0.00 H new ATOM 880 N ILE A 59 -1.122 14.411 -1.899 1.00 0.00 N ATOM 881 CA ILE A 59 -2.064 14.423 -0.792 1.00 0.00 C ATOM 882 C ILE A 59 -3.170 13.400 -1.059 1.00 0.00 C ATOM 883 O ILE A 59 -3.542 12.637 -0.169 1.00 0.00 O ATOM 884 CB ILE A 59 -2.584 15.840 -0.546 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.514 16.709 0.119 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.884 15.815 0.261 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.526 18.128 -0.454 1.00 0.00 C ATOM 0 H ILE A 59 -1.077 15.281 -2.430 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.569 14.125 0.132 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.813 16.292 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.687 16.746 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.532 16.261 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.232 16.835 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.642 15.255 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.705 15.337 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.756 18.725 0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.329 18.089 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.502 18.582 -0.281 1.00 0.00 H new ATOM 899 N PRO A 60 -3.677 13.417 -2.321 1.00 0.00 N ATOM 900 CA PRO A 60 -4.733 12.500 -2.716 1.00 0.00 C ATOM 901 C PRO A 60 -4.184 11.087 -2.919 1.00 0.00 C ATOM 902 O PRO A 60 -4.938 10.160 -3.210 1.00 0.00 O ATOM 903 CB PRO A 60 -5.318 13.098 -3.985 1.00 0.00 C ATOM 904 CG PRO A 60 -4.273 14.069 -4.509 1.00 0.00 C ATOM 905 CD PRO A 60 -3.260 14.307 -3.401 1.00 0.00 C ATOM 0 HA PRO A 60 -5.502 12.390 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.533 12.322 -4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.258 13.610 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.783 13.662 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.740 15.008 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.248 14.078 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.262 15.348 -3.079 1.00 0.00 H new ATOM 913 N VAL A 61 -2.874 10.966 -2.757 1.00 0.00 N ATOM 914 CA VAL A 61 -2.216 9.681 -2.918 1.00 0.00 C ATOM 915 C VAL A 61 -2.189 8.953 -1.573 1.00 0.00 C ATOM 916 O VAL A 61 -2.198 7.724 -1.527 1.00 0.00 O ATOM 917 CB VAL A 61 -0.822 9.879 -3.519 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.120 8.747 -3.104 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.894 10.002 -5.042 1.00 0.00 C ATOM 0 H VAL A 61 -2.251 11.737 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.771 9.053 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.418 10.812 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.103 8.912 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.208 8.726 -2.018 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.279 7.795 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.110 10.142 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.329 9.094 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.514 10.858 -5.309 1.00 0.00 H new ATOM 929 N LYS A 62 -2.156 9.743 -0.509 1.00 0.00 N ATOM 930 CA LYS A 62 -2.128 9.190 0.834 1.00 0.00 C ATOM 931 C LYS A 62 -3.559 8.892 1.288 1.00 0.00 C ATOM 932 O LYS A 62 -3.818 7.852 1.892 1.00 0.00 O ATOM 933 CB LYS A 62 -1.363 10.117 1.780 1.00 0.00 C ATOM 934 CG LYS A 62 -0.069 10.615 1.132 1.00 0.00 C ATOM 935 CD LYS A 62 0.527 11.780 1.923 1.00 0.00 C ATOM 936 CE LYS A 62 1.919 12.143 1.400 1.00 0.00 C ATOM 937 NZ LYS A 62 2.900 11.099 1.770 1.00 0.00 N ATOM 0 H LYS A 62 -2.148 10.762 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.586 8.244 0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.990 10.967 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.131 9.588 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.653 9.800 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.269 10.931 0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.130 12.647 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.589 11.514 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.889 12.254 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.229 13.104 1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.862 11.442 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.809 10.880 2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.720 10.240 1.212 1.00 0.00 H new ATOM 951 N LYS A 63 -4.449 9.823 0.980 1.00 0.00 N ATOM 952 CA LYS A 63 -5.847 9.674 1.349 1.00 0.00 C ATOM 953 C LYS A 63 -6.418 8.427 0.672 1.00 0.00 C ATOM 954 O LYS A 63 -7.254 7.731 1.247 1.00 0.00 O ATOM 955 CB LYS A 63 -6.624 10.954 1.036 1.00 0.00 C ATOM 956 CG LYS A 63 -6.821 11.798 2.297 1.00 0.00 C ATOM 957 CD LYS A 63 -5.974 13.071 2.243 1.00 0.00 C ATOM 958 CE LYS A 63 -4.509 12.768 2.564 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.377 12.249 3.944 1.00 0.00 N ATOM 0 H LYS A 63 -4.230 10.684 0.479 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.943 9.526 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.088 11.535 0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.594 10.700 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.873 12.061 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.550 11.213 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.048 13.520 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.362 13.801 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.119 12.037 1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.911 13.672 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.734 12.861 4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.311 12.238 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.993 11.283 3.916 1.00 0.00 H new ATOM 973 N ARG A 64 -5.944 8.181 -0.541 1.00 0.00 N ATOM 974 CA ARG A 64 -6.397 7.030 -1.303 1.00 0.00 C ATOM 975 C ARG A 64 -5.770 5.748 -0.752 1.00 0.00 C ATOM 976 O ARG A 64 -6.446 4.729 -0.622 1.00 0.00 O ATOM 977 CB ARG A 64 -6.035 7.172 -2.783 1.00 0.00 C ATOM 978 CG ARG A 64 -7.289 7.352 -3.640 1.00 0.00 C ATOM 979 CD ARG A 64 -7.121 8.515 -4.620 1.00 0.00 C ATOM 980 NE ARG A 64 -7.493 8.083 -5.986 1.00 0.00 N ATOM 981 CZ ARG A 64 -7.642 8.918 -7.023 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.452 10.234 -6.857 1.00 0.00 N ATOM 983 NH2 ARG A 64 -7.981 8.438 -8.227 1.00 0.00 N ATOM 0 H ARG A 64 -5.250 8.760 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.482 6.977 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.372 8.027 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.488 6.289 -3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.492 6.434 -4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.150 7.535 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.745 9.354 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.089 8.865 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.645 7.088 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.194 10.600 -5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.566 10.869 -7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.126 7.436 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.094 9.074 -9.016 1.00 0.00 H new ATOM 997 N MET A 65 -4.486 5.842 -0.442 1.00 0.00 N ATOM 998 CA MET A 65 -3.760 4.702 0.093 1.00 0.00 C ATOM 999 C MET A 65 -4.477 4.118 1.312 1.00 0.00 C ATOM 1000 O MET A 65 -4.826 2.939 1.325 1.00 0.00 O ATOM 1001 CB MET A 65 -2.348 5.137 0.491 1.00 0.00 C ATOM 1002 CG MET A 65 -1.300 4.498 -0.423 1.00 0.00 C ATOM 1003 SD MET A 65 0.061 3.877 0.551 1.00 0.00 S ATOM 1004 CE MET A 65 -0.604 2.295 1.041 1.00 0.00 C ATOM 0 H MET A 65 -3.929 6.690 -0.551 1.00 0.00 H new ATOM 0 HA MET A 65 -3.709 3.933 -0.678 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.269 6.223 0.437 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.154 4.854 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.750 3.686 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.938 5.231 -1.143 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.609 2.224 2.129 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.623 2.197 0.666 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.013 1.497 0.628 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.675 4.971 2.306 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.344 4.554 3.527 1.00 0.00 C ATOM 1016 C ALA A 66 -6.539 3.667 3.171 1.00 0.00 C ATOM 1017 O ALA A 66 -6.844 2.715 3.888 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.754 5.789 4.332 1.00 0.00 C ATOM 0 H ALA A 66 -4.384 5.949 2.291 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.671 3.966 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.256 5.476 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.867 6.370 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.432 6.402 3.738 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.182 4.010 2.065 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.336 3.257 1.605 1.00 0.00 C ATOM 1026 C LEU A 67 -7.932 1.798 1.384 1.00 0.00 C ATOM 1027 O LEU A 67 -8.458 0.898 2.036 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.951 3.919 0.371 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.081 5.443 0.422 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.898 5.963 -0.762 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.661 5.899 1.762 1.00 0.00 C ATOM 0 H LEU A 67 -6.925 4.800 1.473 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.120 3.260 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.348 3.655 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.942 3.495 0.212 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.083 5.874 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.975 7.049 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.405 5.685 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.896 5.526 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.743 6.986 1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.649 5.459 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.005 5.577 2.571 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.000 1.609 0.460 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.520 0.275 0.144 1.00 0.00 C ATOM 1045 C LEU A 68 -6.163 -0.455 1.440 1.00 0.00 C ATOM 1046 O LEU A 68 -6.483 -1.631 1.604 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.367 0.345 -0.860 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.498 -0.910 -0.972 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.738 -0.934 -2.300 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.558 -1.035 0.229 1.00 0.00 C ATOM 0 H LEU A 68 -6.565 2.358 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.303 -0.306 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.781 0.565 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.726 1.184 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.153 -1.781 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.128 -1.836 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.449 -0.927 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.095 -0.057 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.952 -1.935 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.907 -0.162 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.145 -1.097 1.145 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.504 0.274 2.330 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.100 -0.289 3.607 1.00 0.00 C ATOM 1064 C VAL A 69 -6.344 -0.728 4.382 1.00 0.00 C ATOM 1065 O VAL A 69 -6.492 -1.904 4.710 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.241 0.718 4.375 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.048 0.278 5.827 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.894 0.931 3.682 1.00 0.00 C ATOM 0 H VAL A 69 -5.240 1.249 2.191 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.482 -1.174 3.456 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.768 1.672 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.434 1.011 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.019 0.202 6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.553 -0.693 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.303 1.651 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.358 -0.017 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.060 1.311 2.674 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.206 0.241 4.652 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.432 -0.031 5.382 1.00 0.00 C ATOM 1080 C GLN A 70 -9.072 -1.328 4.882 1.00 0.00 C ATOM 1081 O GLN A 70 -9.523 -2.149 5.679 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.409 1.141 5.269 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.986 2.298 6.176 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.008 1.878 7.647 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.713 0.966 8.048 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.200 2.591 8.426 1.00 0.00 N ATOM 0 H GLN A 70 -7.080 1.215 4.378 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.184 -0.154 6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.454 1.483 4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.412 0.810 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.984 2.630 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.655 3.146 6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.637 3.341 8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.143 2.388 9.424 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.090 -1.472 3.565 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.666 -2.655 2.950 1.00 0.00 C ATOM 1097 C GLU A 71 -8.871 -3.901 3.346 1.00 0.00 C ATOM 1098 O GLU A 71 -9.433 -4.858 3.875 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.730 -2.506 1.428 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.462 -1.222 1.033 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.978 -1.428 1.050 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.390 -2.604 1.151 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.690 -0.405 0.962 1.00 0.00 O ATOM 0 H GLU A 71 -8.715 -0.789 2.907 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.687 -2.769 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.720 -2.494 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.240 -3.367 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.193 -0.420 1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.145 -0.910 0.038 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.575 -3.848 3.074 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.697 -4.959 3.396 1.00 0.00 C ATOM 1112 C LEU A 72 -6.929 -5.384 4.847 1.00 0.00 C ATOM 1113 O LEU A 72 -6.821 -6.564 5.177 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.242 -4.600 3.086 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.282 -5.779 2.918 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.280 -5.515 1.791 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.584 -6.111 4.238 1.00 0.00 C ATOM 0 H LEU A 72 -7.112 -3.052 2.634 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.929 -5.821 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.222 -4.007 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.867 -3.963 3.887 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.865 -6.655 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.609 -6.369 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.817 -5.366 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.699 -4.622 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.907 -6.953 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.016 -5.245 4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.330 -6.373 4.988 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.245 -4.399 5.675 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.493 -4.656 7.084 1.00 0.00 C ATOM 1131 C LEU A 73 -8.758 -5.505 7.227 1.00 0.00 C ATOM 1132 O LEU A 73 -8.785 -6.458 8.004 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.542 -3.343 7.867 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.215 -2.592 8.001 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.432 -1.196 8.589 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.204 -3.405 8.812 1.00 0.00 C ATOM 0 H LEU A 73 -7.335 -3.422 5.397 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.673 -5.228 7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.263 -2.683 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.920 -3.553 8.867 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.795 -2.460 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.474 -0.684 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.092 -0.625 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.885 -1.284 9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.270 -2.849 8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.603 -3.590 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.018 -4.356 8.313 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.775 -5.128 6.466 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.040 -5.842 6.499 1.00 0.00 C ATOM 1150 C HIS A 74 -10.940 -7.101 5.635 1.00 0.00 C ATOM 1151 O HIS A 74 -11.889 -7.879 5.554 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.192 -4.927 6.082 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.677 -4.010 7.180 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -13.996 -3.972 7.597 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.005 -3.101 7.943 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.102 -3.075 8.566 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -12.867 -2.536 8.779 1.00 0.00 N ATOM 0 H HIS A 74 -9.749 -4.337 5.823 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.257 -6.159 7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.873 -4.323 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.025 -5.541 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.950 -2.879 7.878 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.007 -2.816 9.095 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.643 -1.817 9.467 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.782 -7.262 5.011 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.547 -8.413 4.156 1.00 0.00 C ATOM 1167 C HIS A 75 -10.081 -8.127 2.751 1.00 0.00 C ATOM 1168 O HIS A 75 -9.993 -8.975 1.865 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.146 -9.679 4.771 1.00 0.00 C ATOM 1170 CG HIS A 75 -9.974 -9.775 6.269 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -10.948 -10.293 7.104 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -8.931 -9.414 7.071 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.501 -10.241 8.350 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.251 -9.696 8.327 1.00 0.00 N ATOM 0 H HIS A 75 -8.997 -6.615 5.081 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.475 -8.593 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.209 -9.717 4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.684 -10.550 4.306 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.002 -8.973 6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.033 -10.572 9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.659 -9.532 9.142 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.623 -6.928 2.592 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.171 -6.519 1.310 1.00 0.00 C ATOM 1184 C GLN A 76 -10.048 -6.325 0.290 1.00 0.00 C ATOM 1185 O GLN A 76 -9.748 -5.198 -0.101 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.009 -5.247 1.452 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.345 -5.544 2.136 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.416 -5.917 1.108 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.555 -5.299 0.066 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.162 -6.961 1.460 1.00 0.00 N ATOM 0 H GLN A 76 -10.694 -6.227 3.330 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.829 -7.310 0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.457 -4.506 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.189 -4.814 0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.220 -6.360 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.669 -4.672 2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.992 -7.433 2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.904 -7.289 0.842 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.457 -7.441 -0.113 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.374 -7.407 -1.080 1.00 0.00 C ATOM 1201 C TRP A 77 -8.942 -6.908 -2.410 1.00 0.00 C ATOM 1202 O TRP A 77 -8.282 -6.159 -3.129 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.698 -8.775 -1.194 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.912 -9.679 0.022 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.832 -10.639 0.185 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.148 -9.667 1.246 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.718 -11.244 1.420 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.661 -10.635 2.086 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.059 -8.866 1.632 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.149 -10.891 3.363 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.559 -9.134 2.911 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.064 -10.105 3.769 1.00 0.00 C ATOM 0 H TRP A 77 -9.708 -8.374 0.213 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.591 -6.721 -0.757 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.075 -9.282 -2.082 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.628 -8.629 -1.341 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.570 -10.906 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.302 -11.999 1.778 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.641 -8.103 0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.569 -11.654 4.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.722 -8.545 3.256 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.622 -10.252 4.743 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.160 -7.343 -2.696 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.825 -6.949 -3.927 1.00 0.00 C ATOM 1225 C ASP A 78 -10.873 -5.422 -4.010 1.00 0.00 C ATOM 1226 O ASP A 78 -10.779 -4.853 -5.096 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.263 -7.470 -3.967 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.427 -8.870 -4.564 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.946 -9.062 -5.701 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.030 -9.715 -3.869 1.00 0.00 O ATOM 0 H ASP A 78 -10.704 -7.964 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.265 -7.370 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.660 -7.475 -2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.871 -6.772 -4.543 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.019 -4.803 -2.848 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.081 -3.353 -2.776 1.00 0.00 C ATOM 1237 C ALA A 79 -9.664 -2.781 -2.867 1.00 0.00 C ATOM 1238 O ALA A 79 -9.408 -1.870 -3.652 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.796 -2.936 -1.489 1.00 0.00 C ATOM 0 H ALA A 79 -11.096 -5.279 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.653 -2.951 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.843 -1.848 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.807 -3.343 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.248 -3.319 -0.628 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.781 -3.340 -2.052 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.398 -2.898 -2.031 1.00 0.00 C ATOM 1247 C ALA A 80 -6.908 -2.701 -3.467 1.00 0.00 C ATOM 1248 O ALA A 80 -6.410 -1.631 -3.816 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.549 -3.911 -1.259 1.00 0.00 C ATOM 0 H ALA A 80 -8.997 -4.095 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.309 -1.940 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.511 -3.579 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.919 -3.992 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.611 -4.884 -1.746 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.066 -3.749 -4.261 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.645 -3.705 -5.651 1.00 0.00 C ATOM 1257 C ASP A 81 -7.351 -2.545 -6.356 1.00 0.00 C ATOM 1258 O ASP A 81 -6.699 -1.679 -6.939 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.017 -4.998 -6.381 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.695 -5.012 -7.876 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.609 -4.502 -8.228 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.542 -5.533 -8.634 1.00 0.00 O ATOM 0 H ASP A 81 -7.480 -4.634 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.563 -3.578 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.496 -5.829 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.085 -5.175 -6.253 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.674 -2.564 -6.280 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.475 -1.524 -6.903 1.00 0.00 C ATOM 1269 C ASP A 82 -8.793 -0.170 -6.699 1.00 0.00 C ATOM 1270 O ASP A 82 -8.482 0.525 -7.665 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.868 -1.452 -6.275 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.920 -0.730 -7.119 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.899 0.520 -7.106 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.723 -1.444 -7.758 1.00 0.00 O ATOM 0 H ASP A 82 -9.211 -3.284 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.569 -1.760 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.215 -2.467 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.790 -0.950 -5.311 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.580 0.165 -5.435 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.941 1.424 -5.091 1.00 0.00 C ATOM 1281 C ILE A 83 -6.528 1.451 -5.680 1.00 0.00 C ATOM 1282 O ILE A 83 -6.187 2.353 -6.443 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.981 1.650 -3.579 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.421 1.645 -3.062 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.239 2.932 -3.196 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.497 1.042 -1.658 1.00 0.00 C ATOM 0 H ILE A 83 -8.839 -0.414 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.486 2.260 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.462 0.822 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.809 2.664 -3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.053 1.074 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.283 3.069 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.198 2.858 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.707 3.784 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.531 1.050 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.131 0.016 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.883 1.630 -0.976 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.746 0.450 -5.303 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.378 0.348 -5.784 1.00 0.00 C ATOM 1300 C HIS A 84 -4.327 0.721 -7.267 1.00 0.00 C ATOM 1301 O HIS A 84 -3.495 1.527 -7.680 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.806 -1.042 -5.502 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.018 -1.627 -6.650 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -2.110 -1.054 -7.491 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -3.128 -2.951 -7.037 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.687 -1.979 -8.344 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -2.317 -3.155 -8.065 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.033 -0.297 -4.671 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.745 1.054 -5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.163 -0.987 -4.624 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.625 -1.718 -5.256 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.807 -0.080 -7.468 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.766 -3.692 -6.579 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.963 -1.825 -9.130 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.226 0.115 -8.028 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.294 0.373 -9.456 1.00 0.00 C ATOM 1317 C ARG A 85 -5.526 1.863 -9.716 1.00 0.00 C ATOM 1318 O ARG A 85 -4.821 2.474 -10.518 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.419 -0.433 -10.109 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.045 -1.913 -10.210 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.108 -2.163 -11.393 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.837 -3.612 -11.528 1.00 0.00 N ATOM 1323 CZ ARG A 85 -4.120 -4.153 -12.522 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -3.596 -3.369 -13.474 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -3.926 -5.478 -12.564 1.00 0.00 N ATOM 0 H ARG A 85 -5.914 -0.554 -7.682 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.343 0.068 -9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.334 -0.324 -9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.625 -0.037 -11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.564 -2.234 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.948 -2.513 -10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.557 -1.782 -12.310 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.173 -1.622 -11.247 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.220 -4.238 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.743 -2.360 -13.442 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.050 -3.781 -14.231 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.324 -6.075 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.380 -5.890 -13.321 1.00 0.00 H new ATOM 1339 N SER A 86 -6.517 2.404 -9.024 1.00 0.00 N ATOM 1340 CA SER A 86 -6.852 3.811 -9.169 1.00 0.00 C ATOM 1341 C SER A 86 -5.596 4.667 -8.996 1.00 0.00 C ATOM 1342 O SER A 86 -5.389 5.629 -9.735 1.00 0.00 O ATOM 1343 CB SER A 86 -7.923 4.230 -8.161 1.00 0.00 C ATOM 1344 OG SER A 86 -7.354 4.748 -6.962 1.00 0.00 O ATOM 0 H SER A 86 -7.100 1.893 -8.361 1.00 0.00 H new ATOM 0 HA SER A 86 -7.255 3.965 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.569 4.984 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.552 3.372 -7.923 1.00 0.00 H new ATOM 0 HG SER A 86 -6.845 4.043 -6.510 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.790 4.288 -8.015 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.560 5.010 -7.736 1.00 0.00 C ATOM 1352 C LEU A 87 -2.549 4.736 -8.851 1.00 0.00 C ATOM 1353 O LEU A 87 -1.899 5.657 -9.343 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.042 4.665 -6.338 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.891 5.164 -5.167 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.268 4.761 -3.828 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -4.121 6.674 -5.260 1.00 0.00 C ATOM 0 H LEU A 87 -4.965 3.490 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.742 6.085 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.954 3.581 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.037 5.074 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.869 4.685 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.891 5.128 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.198 3.675 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.271 5.193 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.727 7.002 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.161 7.190 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.639 6.907 -6.191 1.00 0.00 H new ATOM 1369 N MET A 88 -2.448 3.467 -9.217 1.00 0.00 N ATOM 1370 CA MET A 88 -1.527 3.061 -10.264 1.00 0.00 C ATOM 1371 C MET A 88 -1.972 3.601 -11.625 1.00 0.00 C ATOM 1372 O MET A 88 -1.240 3.496 -12.608 1.00 0.00 O ATOM 1373 CB MET A 88 -1.457 1.534 -10.320 1.00 0.00 C ATOM 1374 CG MET A 88 -0.155 1.022 -9.701 1.00 0.00 C ATOM 1375 SD MET A 88 0.898 0.341 -10.972 1.00 0.00 S ATOM 1376 CE MET A 88 2.433 1.162 -10.576 1.00 0.00 C ATOM 0 H MET A 88 -2.989 2.706 -8.807 1.00 0.00 H new ATOM 0 HA MET A 88 -0.543 3.470 -10.035 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.308 1.108 -9.789 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.527 1.201 -11.355 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.359 1.836 -9.189 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.373 0.261 -8.952 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.070 1.189 -11.460 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.226 2.180 -10.246 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.941 0.619 -9.779 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.169 4.168 -11.638 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.720 4.725 -12.862 1.00 0.00 C ATOM 1388 C VAL A 89 -3.199 6.152 -13.047 1.00 0.00 C ATOM 1389 O VAL A 89 -2.694 6.498 -14.114 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.248 4.646 -12.832 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.860 5.428 -13.995 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.721 3.191 -12.839 1.00 0.00 C ATOM 0 H VAL A 89 -3.773 4.254 -10.821 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.395 4.145 -13.726 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.590 5.105 -11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.947 5.356 -13.950 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.563 6.474 -13.926 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.507 5.012 -14.939 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.810 3.162 -12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.363 2.696 -13.742 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.327 2.676 -11.963 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.339 6.941 -11.992 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.889 8.322 -12.026 1.00 0.00 C ATOM 1404 C ASP A 90 -1.484 8.410 -11.428 1.00 0.00 C ATOM 1405 O ASP A 90 -0.515 8.660 -12.144 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.812 9.222 -11.201 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.161 9.533 -11.850 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.829 8.562 -12.266 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.495 10.736 -11.916 1.00 0.00 O ATOM 0 H ASP A 90 -3.758 6.650 -11.108 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.895 8.654 -13.064 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.991 8.747 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.296 10.161 -11.003 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.417 8.201 -10.121 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.146 8.254 -9.419 1.00 0.00 C ATOM 1416 C HIS A 91 0.580 6.916 -9.569 1.00 0.00 C ATOM 1417 O HIS A 91 0.797 6.209 -8.586 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.350 8.656 -7.957 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.460 9.657 -7.744 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.242 11.024 -7.712 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.799 9.476 -7.554 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.404 11.628 -7.511 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.367 10.667 -7.412 1.00 0.00 N ATOM 0 H HIS A 91 -2.222 7.995 -9.530 1.00 0.00 H new ATOM 0 HA HIS A 91 0.487 9.023 -9.863 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.564 7.762 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.581 9.074 -7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.310 8.525 -7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.561 12.694 -7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.361 10.836 -7.255 1.00 0.00 H new ATOM 1431 N VAL A 92 0.934 6.608 -10.808 1.00 0.00 N ATOM 1432 CA VAL A 92 1.631 5.367 -11.101 1.00 0.00 C ATOM 1433 C VAL A 92 3.131 5.564 -10.875 1.00 0.00 C ATOM 1434 O VAL A 92 3.804 4.680 -10.346 1.00 0.00 O ATOM 1435 CB VAL A 92 1.296 4.900 -12.519 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.108 5.676 -13.558 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.515 3.393 -12.666 1.00 0.00 C ATOM 0 H VAL A 92 0.751 7.197 -11.621 1.00 0.00 H new ATOM 0 HA VAL A 92 1.302 4.576 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 92 0.240 5.104 -12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.851 5.325 -14.557 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.881 6.739 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.172 5.518 -13.380 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.270 3.087 -13.683 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.558 3.155 -12.457 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.874 2.862 -11.963 1.00 0.00 H new ATOM 1447 N THR A 93 3.611 6.728 -11.287 1.00 0.00 N ATOM 1448 CA THR A 93 5.020 7.052 -11.137 1.00 0.00 C ATOM 1449 C THR A 93 5.349 7.328 -9.668 1.00 0.00 C ATOM 1450 O THR A 93 6.516 7.318 -9.278 1.00 0.00 O ATOM 1451 CB THR A 93 5.335 8.229 -12.061 1.00 0.00 C ATOM 1452 OG1 THR A 93 4.514 9.285 -11.572 1.00 0.00 O ATOM 1453 CG2 THR A 93 4.838 8.001 -13.490 1.00 0.00 C ATOM 0 H THR A 93 3.050 7.459 -11.725 1.00 0.00 H new ATOM 0 HA THR A 93 5.652 6.213 -11.428 1.00 0.00 H new ATOM 0 HB THR A 93 6.411 8.401 -12.074 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.657 10.089 -12.114 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.087 8.866 -14.104 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.315 7.113 -13.904 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.757 7.861 -13.481 1.00 0.00 H new ATOM 1461 N GLU A 94 4.301 7.567 -8.894 1.00 0.00 N ATOM 1462 CA GLU A 94 4.464 7.844 -7.477 1.00 0.00 C ATOM 1463 C GLU A 94 4.464 6.540 -6.677 1.00 0.00 C ATOM 1464 O GLU A 94 5.451 6.209 -6.022 1.00 0.00 O ATOM 1465 CB GLU A 94 3.376 8.795 -6.976 1.00 0.00 C ATOM 1466 CG GLU A 94 3.298 10.049 -7.849 1.00 0.00 C ATOM 1467 CD GLU A 94 4.160 11.174 -7.272 1.00 0.00 C ATOM 1468 OE1 GLU A 94 5.171 10.836 -6.621 1.00 0.00 O ATOM 1469 OE2 GLU A 94 3.787 12.346 -7.496 1.00 0.00 O ATOM 0 H GLU A 94 3.335 7.575 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 94 5.426 8.336 -7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.413 8.285 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.583 9.078 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.630 9.814 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.262 10.381 -7.923 1.00 0.00 H new ATOM 1476 N VAL A 95 3.346 5.834 -6.757 1.00 0.00 N ATOM 1477 CA VAL A 95 3.204 4.574 -6.049 1.00 0.00 C ATOM 1478 C VAL A 95 4.300 3.610 -6.508 1.00 0.00 C ATOM 1479 O VAL A 95 4.751 2.764 -5.737 1.00 0.00 O ATOM 1480 CB VAL A 95 1.794 4.015 -6.251 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.735 5.033 -5.821 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.579 3.580 -7.702 1.00 0.00 C ATOM 0 H VAL A 95 2.530 6.111 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 95 3.329 4.723 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 95 1.689 3.134 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.258 4.611 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.868 5.273 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.840 5.940 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.569 3.187 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.713 4.437 -8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.302 2.806 -7.961 1.00 0.00 H new ATOM 1492 N SER A 96 4.697 3.769 -7.762 1.00 0.00 N ATOM 1493 CA SER A 96 5.731 2.923 -8.333 1.00 0.00 C ATOM 1494 C SER A 96 7.025 3.063 -7.528 1.00 0.00 C ATOM 1495 O SER A 96 7.201 4.034 -6.793 1.00 0.00 O ATOM 1496 CB SER A 96 5.980 3.273 -9.802 1.00 0.00 C ATOM 1497 OG SER A 96 6.186 4.670 -9.991 1.00 0.00 O ATOM 0 H SER A 96 4.321 4.471 -8.399 1.00 0.00 H new ATOM 0 HA SER A 96 5.391 1.888 -8.286 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.851 2.726 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.130 2.948 -10.401 1.00 0.00 H new ATOM 0 HG SER A 96 6.999 4.812 -10.520 1.00 0.00 H new ATOM 1503 N GLN A 97 7.897 2.080 -7.694 1.00 0.00 N ATOM 1504 CA GLN A 97 9.169 2.081 -6.992 1.00 0.00 C ATOM 1505 C GLN A 97 9.007 1.469 -5.600 1.00 0.00 C ATOM 1506 O GLN A 97 9.970 1.388 -4.838 1.00 0.00 O ATOM 1507 CB GLN A 97 9.746 3.496 -6.906 1.00 0.00 C ATOM 1508 CG GLN A 97 11.270 3.476 -7.043 1.00 0.00 C ATOM 1509 CD GLN A 97 11.844 4.893 -6.986 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.582 5.660 -6.074 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.639 5.196 -8.008 1.00 0.00 N ATOM 0 H GLN A 97 7.748 1.277 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 97 9.874 1.470 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.315 4.117 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.469 3.948 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.703 2.872 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.548 3.005 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.816 4.506 -8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.072 6.118 -8.062 1.00 0.00 H new ATOM 1520 N TRP A 98 7.783 1.053 -5.309 1.00 0.00 N ATOM 1521 CA TRP A 98 7.483 0.450 -4.022 1.00 0.00 C ATOM 1522 C TRP A 98 6.144 -0.280 -4.142 1.00 0.00 C ATOM 1523 O TRP A 98 6.006 -1.411 -3.681 1.00 0.00 O ATOM 1524 CB TRP A 98 7.495 1.500 -2.909 1.00 0.00 C ATOM 1525 CG TRP A 98 6.455 2.608 -3.088 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.623 3.814 -3.649 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.072 2.564 -2.680 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.454 4.546 -3.632 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.481 3.762 -3.024 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.344 1.545 -2.040 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.135 4.055 -2.769 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.001 1.852 -1.793 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.391 3.054 -2.133 1.00 0.00 C ATOM 0 H TRP A 98 6.987 1.122 -5.943 1.00 0.00 H new ATOM 0 HA TRP A 98 8.250 -0.274 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.322 1.004 -1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.486 1.951 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.556 4.168 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.327 5.489 -3.998 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.786 0.600 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.695 5.001 -3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.396 1.103 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.347 3.215 -1.907 1.00 0.00 H new ATOM 1544 N MET A 99 5.191 0.399 -4.764 1.00 0.00 N ATOM 1545 CA MET A 99 3.867 -0.171 -4.951 1.00 0.00 C ATOM 1546 C MET A 99 3.952 -1.669 -5.251 1.00 0.00 C ATOM 1547 O MET A 99 3.231 -2.467 -4.653 1.00 0.00 O ATOM 1548 CB MET A 99 3.162 0.542 -6.106 1.00 0.00 C ATOM 1549 CG MET A 99 1.904 -0.216 -6.533 1.00 0.00 C ATOM 1550 SD MET A 99 0.505 0.891 -6.563 1.00 0.00 S ATOM 1551 CE MET A 99 0.148 0.988 -4.817 1.00 0.00 C ATOM 0 H MET A 99 5.309 1.338 -5.145 1.00 0.00 H new ATOM 0 HA MET A 99 3.301 -0.036 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.895 1.555 -5.804 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.842 0.630 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.052 -0.656 -7.519 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.713 -1.038 -5.843 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.660 1.700 -4.650 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.152 0.006 -4.452 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.038 1.318 -4.281 1.00 0.00 H new ATOM 1561 N VAL A 100 4.839 -2.005 -6.176 1.00 0.00 N ATOM 1562 CA VAL A 100 5.027 -3.393 -6.562 1.00 0.00 C ATOM 1563 C VAL A 100 4.994 -4.275 -5.313 1.00 0.00 C ATOM 1564 O VAL A 100 4.378 -5.340 -5.317 1.00 0.00 O ATOM 1565 CB VAL A 100 6.322 -3.542 -7.365 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.264 -2.722 -8.655 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.537 -3.152 -6.521 1.00 0.00 C ATOM 0 H VAL A 100 5.435 -1.340 -6.669 1.00 0.00 H new ATOM 0 HA VAL A 100 4.216 -3.721 -7.213 1.00 0.00 H new ATOM 0 HB VAL A 100 6.428 -4.591 -7.640 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.196 -2.845 -9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.431 -3.067 -9.268 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.124 -1.669 -8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.444 -3.267 -7.114 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.441 -2.114 -6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.593 -3.797 -5.644 1.00 0.00 H new ATOM 1577 N GLY A 101 5.664 -3.799 -4.273 1.00 0.00 N ATOM 1578 CA GLY A 101 5.718 -4.531 -3.019 1.00 0.00 C ATOM 1579 C GLY A 101 4.323 -4.680 -2.410 1.00 0.00 C ATOM 1580 O GLY A 101 3.881 -5.792 -2.127 1.00 0.00 O ATOM 0 H GLY A 101 6.174 -2.916 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.152 -5.517 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.371 -4.011 -2.318 1.00 0.00 H new ATOM 1584 N VAL A 102 3.668 -3.543 -2.227 1.00 0.00 N ATOM 1585 CA VAL A 102 2.332 -3.533 -1.656 1.00 0.00 C ATOM 1586 C VAL A 102 1.416 -4.425 -2.496 1.00 0.00 C ATOM 1587 O VAL A 102 0.688 -5.257 -1.957 1.00 0.00 O ATOM 1588 CB VAL A 102 1.823 -2.094 -1.541 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.340 -2.066 -1.166 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.657 -1.296 -0.537 1.00 0.00 C ATOM 0 H VAL A 102 4.038 -2.622 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 102 2.346 -3.941 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 102 1.931 -1.621 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.003 -1.032 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.239 -2.581 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.198 -2.565 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.274 -0.277 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.595 -1.768 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.697 -1.274 -0.864 1.00 0.00 H new ATOM 1600 N LYS A 103 1.483 -4.222 -3.804 1.00 0.00 N ATOM 1601 CA LYS A 103 0.669 -4.998 -4.724 1.00 0.00 C ATOM 1602 C LYS A 103 0.761 -6.480 -4.355 1.00 0.00 C ATOM 1603 O LYS A 103 -0.259 -7.137 -4.152 1.00 0.00 O ATOM 1604 CB LYS A 103 1.064 -4.699 -6.172 1.00 0.00 C ATOM 1605 CG LYS A 103 0.245 -5.544 -7.149 1.00 0.00 C ATOM 1606 CD LYS A 103 1.150 -6.476 -7.959 1.00 0.00 C ATOM 1607 CE LYS A 103 0.393 -7.733 -8.394 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.158 -8.468 -9.425 1.00 0.00 N ATOM 0 H LYS A 103 2.088 -3.532 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.379 -4.713 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.910 -3.641 -6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.126 -4.901 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.490 -6.132 -6.599 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.309 -4.892 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.526 -5.951 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.017 -6.758 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.221 -8.378 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.586 -7.458 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.630 -9.318 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.300 -7.856 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.082 -8.747 -9.038 1.00 0.00 H new ATOM 1622 N ARG A 104 1.992 -6.962 -4.279 1.00 0.00 N ATOM 1623 CA ARG A 104 2.231 -8.354 -3.938 1.00 0.00 C ATOM 1624 C ARG A 104 1.655 -8.668 -2.556 1.00 0.00 C ATOM 1625 O ARG A 104 0.951 -9.662 -2.384 1.00 0.00 O ATOM 1626 CB ARG A 104 3.727 -8.674 -3.944 1.00 0.00 C ATOM 1627 CG ARG A 104 3.971 -10.161 -3.677 1.00 0.00 C ATOM 1628 CD ARG A 104 3.523 -11.012 -4.867 1.00 0.00 C ATOM 1629 NE ARG A 104 4.599 -11.070 -5.882 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.726 -10.198 -6.892 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.846 -9.197 -7.028 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.734 -10.327 -7.766 1.00 0.00 N ATOM 0 H ARG A 104 2.835 -6.413 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 104 1.737 -8.969 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.158 -8.398 -4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.233 -8.077 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.030 -10.330 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.430 -10.467 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.274 -12.019 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.619 -10.590 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 104 5.286 -11.820 -5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.079 -9.098 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.943 -8.534 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.404 -11.089 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.831 -9.663 -8.535 1.00 0.00 H new ATOM 1646 N LEU A 105 1.976 -7.802 -1.606 1.00 0.00 N ATOM 1647 CA LEU A 105 1.499 -7.974 -0.244 1.00 0.00 C ATOM 1648 C LEU A 105 0.029 -8.399 -0.273 1.00 0.00 C ATOM 1649 O LEU A 105 -0.349 -9.383 0.361 1.00 0.00 O ATOM 1650 CB LEU A 105 1.758 -6.710 0.578 1.00 0.00 C ATOM 1651 CG LEU A 105 1.512 -6.828 2.084 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.816 -6.661 2.867 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.438 -5.840 2.543 1.00 0.00 C ATOM 0 H LEU A 105 2.561 -6.979 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 105 2.051 -8.770 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.792 -6.404 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.127 -5.911 0.188 1.00 0.00 H new ATOM 0 HG LEU A 105 1.137 -7.830 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.613 -6.749 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.522 -7.435 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.242 -5.680 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.282 -5.945 3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.760 -4.823 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.495 -6.048 2.019 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.760 -7.636 -1.015 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.179 -7.921 -1.134 1.00 0.00 C ATOM 1667 C ILE A 106 -2.374 -9.413 -1.412 1.00 0.00 C ATOM 1668 O ILE A 106 -2.992 -10.120 -0.618 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.822 -7.011 -2.183 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.676 -5.538 -1.794 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.282 -7.398 -2.424 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.723 -4.637 -3.031 1.00 0.00 C ATOM 0 H ILE A 106 -0.443 -6.821 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.691 -7.701 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.293 -7.149 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.474 -5.259 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.734 -5.389 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.715 -6.736 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.332 -8.428 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.841 -7.307 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.617 -3.596 -2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.909 -4.903 -3.706 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.676 -4.770 -3.542 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.836 -9.846 -2.543 1.00 0.00 N ATOM 1685 CA ALA A 107 -1.943 -11.241 -2.935 1.00 0.00 C ATOM 1686 C ALA A 107 -1.599 -12.131 -1.739 1.00 0.00 C ATOM 1687 O ALA A 107 -2.419 -12.940 -1.307 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.035 -11.504 -4.138 1.00 0.00 C ATOM 0 H ALA A 107 -1.325 -9.256 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 107 -2.963 -11.477 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.115 -12.550 -4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.340 -10.869 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.002 -11.280 -3.870 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.385 -11.952 -1.239 1.00 0.00 N ATOM 1695 CA GLU A 108 0.077 -12.729 -0.101 1.00 0.00 C ATOM 1696 C GLU A 108 -0.954 -12.682 1.028 1.00 0.00 C ATOM 1697 O GLU A 108 -1.574 -13.694 1.350 1.00 0.00 O ATOM 1698 CB GLU A 108 1.442 -12.234 0.381 1.00 0.00 C ATOM 1699 CG GLU A 108 2.494 -12.363 -0.722 1.00 0.00 C ATOM 1700 CD GLU A 108 2.384 -13.715 -1.430 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.535 -14.737 -0.726 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.151 -13.696 -2.658 1.00 0.00 O ATOM 0 H GLU A 108 0.292 -11.281 -1.601 1.00 0.00 H new ATOM 0 HA GLU A 108 0.193 -13.766 -0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.365 -11.193 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.753 -12.808 1.254 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.367 -11.558 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.490 -12.253 -0.294 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.106 -11.495 1.598 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.051 -11.303 2.685 1.00 0.00 C ATOM 1711 C LYS A 109 -3.347 -12.051 2.366 1.00 0.00 C ATOM 1712 O LYS A 109 -3.823 -12.848 3.173 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.254 -9.812 2.961 1.00 0.00 C ATOM 1714 CG LYS A 109 -0.986 -9.185 3.545 1.00 0.00 C ATOM 1715 CD LYS A 109 -0.716 -9.708 4.957 1.00 0.00 C ATOM 1716 CE LYS A 109 -1.916 -9.458 5.873 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.600 -10.732 6.190 1.00 0.00 N ATOM 0 H LYS A 109 -0.591 -10.657 1.327 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.658 -11.725 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.524 -9.301 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.084 -9.677 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.135 -9.409 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.090 -8.100 3.569 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.500 -10.776 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.167 -9.219 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.585 -8.977 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.614 -8.774 5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.412 -10.545 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.933 -11.175 5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.936 -11.372 6.670 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.882 -11.768 1.187 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.114 -12.404 0.752 1.00 0.00 C ATOM 1733 C LYS A 110 -4.937 -13.923 0.783 1.00 0.00 C ATOM 1734 O LYS A 110 -5.725 -14.631 1.407 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.543 -11.862 -0.613 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.686 -12.694 -1.198 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.010 -12.252 -2.627 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.828 -13.318 -3.358 1.00 0.00 C ATOM 1739 NZ LYS A 110 -7.420 -13.401 -4.778 1.00 0.00 N ATOM 0 H LYS A 110 -3.485 -11.107 0.520 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.929 -12.164 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.858 -10.823 -0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.694 -11.873 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.412 -13.749 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.572 -12.592 -0.572 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.565 -11.314 -2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.085 -12.062 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.688 -14.286 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.889 -13.079 -3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.985 -14.129 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.576 -12.481 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.412 -13.651 -4.836 1.00 0.00 H new ATOM 1753 N SER A 111 -3.896 -14.379 0.101 1.00 0.00 N ATOM 1754 CA SER A 111 -3.606 -15.802 0.042 1.00 0.00 C ATOM 1755 C SER A 111 -3.673 -16.408 1.445 1.00 0.00 C ATOM 1756 O SER A 111 -4.361 -17.405 1.662 1.00 0.00 O ATOM 1757 CB SER A 111 -2.232 -16.058 -0.581 1.00 0.00 C ATOM 1758 OG SER A 111 -2.316 -16.892 -1.734 1.00 0.00 O ATOM 0 H SER A 111 -3.244 -13.789 -0.415 1.00 0.00 H new ATOM 0 HA SER A 111 -4.356 -16.278 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.775 -15.107 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.580 -16.525 0.158 1.00 0.00 H new ATOM 0 HG SER A 111 -1.419 -17.030 -2.104 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.951 -15.781 2.362 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.920 -16.246 3.738 1.00 0.00 C ATOM 1766 C LEU A 112 -4.331 -16.655 4.165 1.00 0.00 C ATOM 1767 O LEU A 112 -4.562 -17.805 4.537 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.285 -15.191 4.646 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.837 -14.815 4.326 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.319 -13.751 5.296 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.060 -16.054 4.302 1.00 0.00 C ATOM 0 H LEU A 112 -2.383 -14.954 2.179 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.290 -17.131 3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.893 -14.287 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.327 -15.552 5.674 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.811 -14.380 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.712 -13.502 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.937 -12.857 5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.363 -14.135 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.084 -15.758 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.033 -16.541 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.297 -16.747 3.540 1.00 0.00 H new