USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 44 SER OG : rot 163:sc= 0.733! USER MOD Set 1.2: A 49 TYR OH : rot -95:sc= 0.808 USER MOD Set 2.1: A 34 MET CE :methyl -146:sc= -4.36! (180deg=-6.78!) USER MOD Set 2.2: A 58 ASN : amide:sc= -3.88 K(o=-8.2,f=-9.6!) USER MOD Set 3.1: A 15 MET CE :methyl -122:sc= -1.66 (180deg=-4.05!) USER MOD Set 3.2: A 87 MET CE :methyl 164:sc= -0.645 (180deg=-1.08) USER MOD Single : A 9 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.8!) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.713 F(o=-1.5,f=-0.71) USER MOD Single : A 16 GLN : amide:sc= -0.504 K(o=-0.5,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.856 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -134:sc= -3.32! (180deg=-8.74!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 80:sc= -0.123 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0531 USER MOD Single : A 99 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 101 ASN : amide:sc= -0.738 K(o=-0.74,f=-2.2) USER MOD Single : A 102 SER OG : rot 180:sc= -1.46! USER MOD Single : A 107 MET CE :methyl -121:sc= -5.85! (180deg=-9.47!) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 8 -0.561 -18.991 -5.649 1.00 0.00 N ATOM 116 CA PRO A 8 0.158 -17.838 -5.134 1.00 0.00 C ATOM 117 C PRO A 8 -0.744 -16.603 -5.093 1.00 0.00 C ATOM 118 O PRO A 8 -0.302 -15.520 -4.711 1.00 0.00 O ATOM 119 CB PRO A 8 1.350 -17.672 -6.063 1.00 0.00 C ATOM 120 CG PRO A 8 1.005 -18.442 -7.327 1.00 0.00 C ATOM 121 CD PRO A 8 -0.191 -19.329 -7.020 1.00 0.00 C ATOM 0 HA PRO A 8 0.488 -17.973 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.529 -16.620 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.259 -18.061 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.772 -17.755 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.854 -19.044 -7.651 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.013 -19.139 -7.710 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.065 -20.385 -7.112 1.00 0.00 H new ATOM 129 N GLN A 9 -1.992 -16.806 -5.489 1.00 0.00 N ATOM 130 CA GLN A 9 -2.960 -15.723 -5.500 1.00 0.00 C ATOM 131 C GLN A 9 -3.611 -15.578 -4.123 1.00 0.00 C ATOM 132 O GLN A 9 -3.931 -14.470 -3.697 1.00 0.00 O ATOM 133 CB GLN A 9 -4.015 -15.944 -6.586 1.00 0.00 C ATOM 134 CG GLN A 9 -4.242 -14.665 -7.396 1.00 0.00 C ATOM 135 CD GLN A 9 -3.457 -14.703 -8.709 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.643 -15.579 -8.950 1.00 0.00 O ATOM 137 NE2 GLN A 9 -3.746 -13.706 -9.541 1.00 0.00 N ATOM 0 H GLN A 9 -2.355 -17.705 -5.805 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.437 -14.795 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -3.696 -16.748 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.952 -16.261 -6.129 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.305 -14.547 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -3.935 -13.799 -6.809 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.438 -13.005 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.275 -13.642 -10.444 1.00 0.00 H new ATOM 146 N ARG A 10 -3.788 -16.715 -3.465 1.00 0.00 N ATOM 147 CA ARG A 10 -4.396 -16.728 -2.145 1.00 0.00 C ATOM 148 C ARG A 10 -3.549 -15.915 -1.163 1.00 0.00 C ATOM 149 O ARG A 10 -4.062 -15.025 -0.484 1.00 0.00 O ATOM 150 CB ARG A 10 -4.541 -18.157 -1.619 1.00 0.00 C ATOM 151 CG ARG A 10 -5.569 -18.224 -0.489 1.00 0.00 C ATOM 152 CD ARG A 10 -4.893 -18.083 0.876 1.00 0.00 C ATOM 153 NE ARG A 10 -5.340 -19.168 1.777 1.00 0.00 N ATOM 154 CZ ARG A 10 -4.997 -20.465 1.627 1.00 0.00 C ATOM 155 NH1 ARG A 10 -4.200 -20.851 0.609 1.00 0.00 N ATOM 156 NH2 ARG A 10 -5.455 -21.353 2.492 1.00 0.00 N ATOM 0 H ARG A 10 -3.521 -17.633 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.387 -16.283 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.844 -18.818 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.576 -18.516 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.307 -17.432 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.106 -19.171 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.810 -18.119 0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.135 -17.114 1.312 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.945 -18.921 2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.851 -20.160 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.946 -21.833 0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.058 -21.054 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.205 -22.337 2.393 1.00 0.00 H new ATOM 169 N VAL A 11 -2.268 -16.247 -1.119 1.00 0.00 N ATOM 170 CA VAL A 11 -1.346 -15.558 -0.231 1.00 0.00 C ATOM 171 C VAL A 11 -1.279 -14.081 -0.620 1.00 0.00 C ATOM 172 O VAL A 11 -1.211 -13.210 0.247 1.00 0.00 O ATOM 173 CB VAL A 11 0.022 -16.247 -0.260 1.00 0.00 C ATOM 174 CG1 VAL A 11 0.997 -15.489 -1.161 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.586 -16.403 1.153 1.00 0.00 C ATOM 0 H VAL A 11 -1.846 -16.984 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.699 -15.607 0.799 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.112 -17.245 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.961 -15.999 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.602 -15.454 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.125 -14.474 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.558 -16.895 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.699 -15.420 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.096 -17.006 1.753 1.00 0.00 H new ATOM 185 N ALA A 12 -1.301 -13.842 -1.923 1.00 0.00 N ATOM 186 CA ALA A 12 -1.243 -12.484 -2.437 1.00 0.00 C ATOM 187 C ALA A 12 -2.436 -11.691 -1.902 1.00 0.00 C ATOM 188 O ALA A 12 -2.309 -10.510 -1.582 1.00 0.00 O ATOM 189 CB ALA A 12 -1.203 -12.517 -3.966 1.00 0.00 C ATOM 0 H ALA A 12 -1.358 -14.566 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.335 -11.984 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.160 -11.498 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.321 -13.067 -4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.100 -13.009 -4.343 1.00 0.00 H new ATOM 195 N GLN A 13 -3.571 -12.370 -1.821 1.00 0.00 N ATOM 196 CA GLN A 13 -4.786 -11.744 -1.330 1.00 0.00 C ATOM 197 C GLN A 13 -4.678 -11.482 0.174 1.00 0.00 C ATOM 198 O GLN A 13 -4.638 -10.330 0.605 1.00 0.00 O ATOM 199 CB GLN A 13 -6.013 -12.600 -1.651 1.00 0.00 C ATOM 200 CG GLN A 13 -6.347 -12.540 -3.142 1.00 0.00 C ATOM 201 CD GLN A 13 -6.269 -11.105 -3.665 1.00 0.00 C ATOM 202 OE1 GLN A 13 -5.070 -10.765 -4.131 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -7.231 -10.356 -3.646 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.674 -13.349 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.909 -10.787 -1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.827 -13.633 -1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.866 -12.252 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.655 -13.172 -3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.348 -12.938 -3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.123 -10.681 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.143 -9.404 -4.002 1.00 0.00 H new ATOM 212 N GLU A 14 -4.634 -12.568 0.930 1.00 0.00 N ATOM 213 CA GLU A 14 -4.531 -12.471 2.376 1.00 0.00 C ATOM 214 C GLU A 14 -3.595 -11.325 2.765 1.00 0.00 C ATOM 215 O GLU A 14 -3.882 -10.574 3.697 1.00 0.00 O ATOM 216 CB GLU A 14 -4.060 -13.794 2.983 1.00 0.00 C ATOM 217 CG GLU A 14 -4.355 -13.843 4.484 1.00 0.00 C ATOM 218 CD GLU A 14 -3.064 -13.734 5.299 1.00 0.00 C ATOM 219 OE1 GLU A 14 -2.339 -12.733 5.181 1.00 0.00 O ATOM 220 OE2 GLU A 14 -2.825 -14.734 6.077 1.00 0.00 O ATOM 0 H GLU A 14 -4.668 -13.521 0.568 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.522 -12.258 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.557 -14.625 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.990 -13.915 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.029 -13.030 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.866 -14.774 4.728 1.00 0.00 H new ATOM 228 N MET A 15 -2.496 -11.227 2.032 1.00 0.00 N ATOM 229 CA MET A 15 -1.515 -10.185 2.290 1.00 0.00 C ATOM 230 C MET A 15 -2.026 -8.822 1.815 1.00 0.00 C ATOM 231 O MET A 15 -1.829 -7.813 2.489 1.00 0.00 O ATOM 232 CB MET A 15 -0.211 -10.522 1.567 1.00 0.00 C ATOM 233 CG MET A 15 1.000 -10.228 2.454 1.00 0.00 C ATOM 234 SD MET A 15 1.664 -11.751 3.107 1.00 0.00 S ATOM 235 CE MET A 15 3.038 -11.111 4.050 1.00 0.00 C ATOM 0 H MET A 15 -2.263 -11.851 1.260 1.00 0.00 H new ATOM 0 HA MET A 15 -1.341 -10.133 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.211 -11.574 1.282 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.141 -9.942 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.764 -9.706 1.878 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.710 -9.568 3.272 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.965 -11.562 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.091 -10.029 3.928 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.899 -11.351 5.104 1.00 0.00 H new ATOM 245 N GLN A 16 -2.671 -8.840 0.658 1.00 0.00 N ATOM 246 CA GLN A 16 -3.211 -7.618 0.086 1.00 0.00 C ATOM 247 C GLN A 16 -4.268 -7.019 1.014 1.00 0.00 C ATOM 248 O GLN A 16 -4.396 -5.798 1.109 1.00 0.00 O ATOM 249 CB GLN A 16 -3.788 -7.874 -1.309 1.00 0.00 C ATOM 250 CG GLN A 16 -3.955 -6.565 -2.082 1.00 0.00 C ATOM 251 CD GLN A 16 -5.397 -6.061 -2.001 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.152 -6.399 -1.103 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.739 -5.232 -2.985 1.00 0.00 N ATOM 0 H GLN A 16 -2.832 -9.680 0.102 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.398 -6.899 -0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.130 -8.545 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.752 -8.374 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.279 -5.811 -1.678 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.677 -6.716 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.060 -4.989 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.680 -4.840 -3.018 1.00 0.00 H new ATOM 262 N LYS A 17 -4.999 -7.903 1.677 1.00 0.00 N ATOM 263 CA LYS A 17 -6.041 -7.475 2.594 1.00 0.00 C ATOM 264 C LYS A 17 -5.399 -6.971 3.888 1.00 0.00 C ATOM 265 O LYS A 17 -5.841 -5.972 4.456 1.00 0.00 O ATOM 266 CB LYS A 17 -7.058 -8.598 2.810 1.00 0.00 C ATOM 267 CG LYS A 17 -8.333 -8.064 3.467 1.00 0.00 C ATOM 268 CD LYS A 17 -8.686 -8.873 4.717 1.00 0.00 C ATOM 269 CE LYS A 17 -7.734 -8.544 5.868 1.00 0.00 C ATOM 270 NZ LYS A 17 -8.235 -7.385 6.640 1.00 0.00 N ATOM 0 H LYS A 17 -4.890 -8.914 1.597 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.603 -6.643 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.303 -9.060 1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.620 -9.375 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.197 -7.016 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.158 -8.107 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.712 -8.658 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.636 -9.938 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.634 -9.409 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.741 -8.325 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.577 -7.175 7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.308 -6.557 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.173 -7.607 7.031 1.00 0.00 H new ATOM 283 N GLU A 18 -4.367 -7.683 4.317 1.00 0.00 N ATOM 284 CA GLU A 18 -3.660 -7.319 5.532 1.00 0.00 C ATOM 285 C GLU A 18 -2.926 -5.990 5.343 1.00 0.00 C ATOM 286 O GLU A 18 -2.948 -5.133 6.225 1.00 0.00 O ATOM 287 CB GLU A 18 -2.691 -8.426 5.956 1.00 0.00 C ATOM 288 CG GLU A 18 -2.349 -8.315 7.443 1.00 0.00 C ATOM 289 CD GLU A 18 -3.142 -9.334 8.264 1.00 0.00 C ATOM 290 OE1 GLU A 18 -3.825 -8.955 9.229 1.00 0.00 O ATOM 291 OE2 GLU A 18 -3.033 -10.556 7.870 1.00 0.00 O ATOM 0 H GLU A 18 -4.004 -8.511 3.844 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.391 -7.196 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.135 -9.400 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.778 -8.362 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.281 -8.478 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.569 -7.308 7.796 1.00 0.00 H new ATOM 299 N ILE A 19 -2.293 -5.861 4.185 1.00 0.00 N ATOM 300 CA ILE A 19 -1.555 -4.651 3.869 1.00 0.00 C ATOM 301 C ILE A 19 -2.539 -3.529 3.536 1.00 0.00 C ATOM 302 O ILE A 19 -2.330 -2.379 3.924 1.00 0.00 O ATOM 303 CB ILE A 19 -0.533 -4.921 2.762 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.195 -4.881 1.383 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.203 -6.241 3.005 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.186 -5.202 0.280 1.00 0.00 C ATOM 0 H ILE A 19 -2.277 -6.574 3.456 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.977 -4.322 4.733 1.00 0.00 H new ATOM 0 HB ILE A 19 0.213 -4.127 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.016 -5.597 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.625 -3.894 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.923 -6.409 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.726 -6.195 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.516 -7.060 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.683 -5.167 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.621 -4.470 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.224 -6.199 0.441 1.00 0.00 H new ATOM 318 N ALA A 20 -3.591 -3.901 2.822 1.00 0.00 N ATOM 319 CA ALA A 20 -4.609 -2.940 2.433 1.00 0.00 C ATOM 320 C ALA A 20 -5.189 -2.281 3.686 1.00 0.00 C ATOM 321 O ALA A 20 -5.498 -1.091 3.679 1.00 0.00 O ATOM 322 CB ALA A 20 -5.680 -3.641 1.595 1.00 0.00 C ATOM 0 H ALA A 20 -3.761 -4.855 2.503 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.176 -2.152 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.444 -2.920 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.222 -4.066 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.138 -4.437 2.182 1.00 0.00 H new ATOM 328 N LEU A 21 -5.318 -3.085 4.732 1.00 0.00 N ATOM 329 CA LEU A 21 -5.855 -2.595 5.990 1.00 0.00 C ATOM 330 C LEU A 21 -4.822 -1.689 6.663 1.00 0.00 C ATOM 331 O LEU A 21 -5.084 -0.509 6.896 1.00 0.00 O ATOM 332 CB LEU A 21 -6.312 -3.761 6.868 1.00 0.00 C ATOM 333 CG LEU A 21 -6.755 -3.400 8.287 1.00 0.00 C ATOM 334 CD1 LEU A 21 -8.245 -3.688 8.487 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.890 -4.110 9.330 1.00 0.00 C ATOM 0 H LEU A 21 -5.060 -4.072 4.734 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.744 -1.990 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.139 -4.264 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.496 -4.480 6.936 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.612 -2.328 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.534 -3.422 9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.828 -3.099 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.436 -4.748 8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.227 -3.836 10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.977 -5.189 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.849 -3.812 9.203 1.00 0.00 H new ATOM 347 N ILE A 22 -3.669 -2.273 6.953 1.00 0.00 N ATOM 348 CA ILE A 22 -2.595 -1.533 7.593 1.00 0.00 C ATOM 349 C ILE A 22 -2.210 -0.339 6.715 1.00 0.00 C ATOM 350 O ILE A 22 -1.613 0.623 7.197 1.00 0.00 O ATOM 351 CB ILE A 22 -1.424 -2.460 7.917 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.781 -3.420 9.054 1.00 0.00 C ATOM 353 CG2 ILE A 22 -0.156 -1.659 8.221 1.00 0.00 C ATOM 354 CD1 ILE A 22 -1.006 -4.732 8.928 1.00 0.00 C ATOM 0 H ILE A 22 -3.455 -3.251 6.756 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.927 -1.132 8.550 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.218 -3.067 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.558 -2.952 10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.852 -3.623 9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.661 -2.344 8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.108 -1.053 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.333 -1.009 9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.279 -5.396 9.748 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.250 -5.209 7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.064 -4.528 8.967 1.00 0.00 H new ATOM 366 N LEU A 23 -2.569 -0.440 5.445 1.00 0.00 N ATOM 367 CA LEU A 23 -2.269 0.619 4.496 1.00 0.00 C ATOM 368 C LEU A 23 -3.404 1.643 4.506 1.00 0.00 C ATOM 369 O LEU A 23 -3.243 2.760 4.014 1.00 0.00 O ATOM 370 CB LEU A 23 -1.980 0.032 3.112 1.00 0.00 C ATOM 371 CG LEU A 23 -1.718 1.046 1.996 1.00 0.00 C ATOM 372 CD1 LEU A 23 -0.810 0.450 0.917 1.00 0.00 C ATOM 373 CD2 LEU A 23 -3.032 1.572 1.414 1.00 0.00 C ATOM 0 H LEU A 23 -3.065 -1.239 5.050 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.361 1.147 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.113 -0.624 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.825 -0.591 2.819 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.192 1.899 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.639 1.190 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.144 0.164 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.287 -0.430 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.818 2.291 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.606 0.741 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.609 2.059 2.200 1.00 0.00 H new ATOM 385 N GLN A 24 -4.528 1.227 5.071 1.00 0.00 N ATOM 386 CA GLN A 24 -5.691 2.096 5.150 1.00 0.00 C ATOM 387 C GLN A 24 -5.997 2.439 6.610 1.00 0.00 C ATOM 388 O GLN A 24 -6.888 3.240 6.889 1.00 0.00 O ATOM 389 CB GLN A 24 -6.902 1.453 4.471 1.00 0.00 C ATOM 390 CG GLN A 24 -6.966 1.834 2.992 1.00 0.00 C ATOM 391 CD GLN A 24 -7.616 0.721 2.167 1.00 0.00 C ATOM 392 OE1 GLN A 24 -6.959 -0.039 1.475 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.940 0.667 2.279 1.00 0.00 N ATOM 0 H GLN A 24 -4.658 0.301 5.478 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.468 3.021 4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.845 0.369 4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.816 1.771 4.972 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.533 2.757 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.960 2.028 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.429 1.334 2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.467 -0.041 1.768 1.00 0.00 H new ATOM 402 N ARG A 25 -5.244 1.812 7.502 1.00 0.00 N ATOM 403 CA ARG A 25 -5.424 2.041 8.926 1.00 0.00 C ATOM 404 C ARG A 25 -4.168 2.674 9.525 1.00 0.00 C ATOM 405 O ARG A 25 -4.259 3.562 10.371 1.00 0.00 O ATOM 406 CB ARG A 25 -5.728 0.733 9.659 1.00 0.00 C ATOM 407 CG ARG A 25 -6.794 0.944 10.736 1.00 0.00 C ATOM 408 CD ARG A 25 -6.666 -0.101 11.846 1.00 0.00 C ATOM 409 NE ARG A 25 -7.919 -0.880 11.955 1.00 0.00 N ATOM 410 CZ ARG A 25 -9.107 -0.357 12.323 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.214 0.957 12.620 1.00 0.00 N ATOM 412 NH2 ARG A 25 -10.163 -1.145 12.387 1.00 0.00 N ATOM 0 H ARG A 25 -4.508 1.146 7.267 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.269 2.718 9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.070 -0.017 8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.816 0.347 10.115 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.695 1.944 11.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.786 0.884 10.288 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.831 -0.768 11.634 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.449 0.389 12.795 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.882 -1.876 11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.393 1.560 12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.115 1.345 12.897 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.075 -2.135 12.160 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.068 -0.764 12.664 1.00 0.00 H new ATOM 425 N GLU A 26 -3.023 2.191 9.064 1.00 0.00 N ATOM 426 CA GLU A 26 -1.749 2.698 9.544 1.00 0.00 C ATOM 427 C GLU A 26 -1.228 3.795 8.612 1.00 0.00 C ATOM 428 O GLU A 26 -0.114 4.286 8.787 1.00 0.00 O ATOM 429 CB GLU A 26 -0.726 1.569 9.685 1.00 0.00 C ATOM 430 CG GLU A 26 0.341 1.657 8.592 1.00 0.00 C ATOM 431 CD GLU A 26 1.563 2.439 9.081 1.00 0.00 C ATOM 432 OE1 GLU A 26 1.488 3.124 10.112 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.617 2.316 8.349 1.00 0.00 O ATOM 0 H GLU A 26 -2.952 1.454 8.363 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.903 3.130 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.253 1.622 10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.232 0.605 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.643 0.654 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.076 2.142 7.709 1.00 0.00 H new ATOM 441 N ILE A 27 -2.060 4.148 7.643 1.00 0.00 N ATOM 442 CA ILE A 27 -1.700 5.178 6.684 1.00 0.00 C ATOM 443 C ILE A 27 -2.471 6.460 7.004 1.00 0.00 C ATOM 444 O ILE A 27 -3.256 6.497 7.950 1.00 0.00 O ATOM 445 CB ILE A 27 -1.909 4.675 5.254 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.737 5.074 4.356 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.250 5.155 4.695 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.232 5.566 2.993 1.00 0.00 C ATOM 0 H ILE A 27 -2.983 3.738 7.502 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.639 5.417 6.762 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.941 3.586 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.154 5.858 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.072 4.221 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.374 4.784 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.060 4.779 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.273 6.245 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.378 5.843 2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.794 4.772 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.877 6.434 3.132 1.00 0.00 H new ATOM 460 N LYS A 28 -2.219 7.480 6.198 1.00 0.00 N ATOM 461 CA LYS A 28 -2.879 8.761 6.382 1.00 0.00 C ATOM 462 C LYS A 28 -4.272 8.708 5.749 1.00 0.00 C ATOM 463 O LYS A 28 -4.503 9.311 4.702 1.00 0.00 O ATOM 464 CB LYS A 28 -2.004 9.897 5.849 1.00 0.00 C ATOM 465 CG LYS A 28 -1.083 10.440 6.945 1.00 0.00 C ATOM 466 CD LYS A 28 0.029 9.441 7.272 1.00 0.00 C ATOM 467 CE LYS A 28 -0.364 8.550 8.451 1.00 0.00 C ATOM 468 NZ LYS A 28 0.594 8.715 9.567 1.00 0.00 N ATOM 0 H LYS A 28 -1.566 7.445 5.415 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.018 8.969 7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.406 9.538 5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.636 10.700 5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.645 11.384 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.664 10.649 7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.236 8.823 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.948 9.978 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.370 8.803 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.387 7.507 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.313 8.103 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.548 8.451 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.596 9.707 9.879 1.00 0.00 H new ATOM 481 N ASP A 29 -5.160 7.983 6.411 1.00 0.00 N ATOM 482 CA ASP A 29 -6.523 7.845 5.926 1.00 0.00 C ATOM 483 C ASP A 29 -7.412 8.882 6.613 1.00 0.00 C ATOM 484 O ASP A 29 -8.089 9.664 5.946 1.00 0.00 O ATOM 485 CB ASP A 29 -7.083 6.457 6.246 1.00 0.00 C ATOM 486 CG ASP A 29 -8.517 6.446 6.780 1.00 0.00 C ATOM 487 OD1 ASP A 29 -8.746 6.414 7.997 1.00 0.00 O ATOM 488 OD2 ASP A 29 -9.435 6.470 5.874 1.00 0.00 O ATOM 0 H ASP A 29 -4.963 7.485 7.279 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.513 7.991 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.043 5.848 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.434 5.980 6.981 1.00 0.00 H new ATOM 494 N PRO A 30 -7.381 8.857 7.972 1.00 0.00 N ATOM 495 CA PRO A 30 -8.177 9.786 8.756 1.00 0.00 C ATOM 496 C PRO A 30 -7.562 11.188 8.734 1.00 0.00 C ATOM 497 O PRO A 30 -8.259 12.179 8.948 1.00 0.00 O ATOM 498 CB PRO A 30 -8.227 9.183 10.150 1.00 0.00 C ATOM 499 CG PRO A 30 -7.080 8.186 10.214 1.00 0.00 C ATOM 500 CD PRO A 30 -6.592 7.946 8.795 1.00 0.00 C ATOM 0 HA PRO A 30 -9.183 9.918 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.118 9.954 10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.183 8.691 10.329 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.272 8.573 10.835 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.411 7.252 10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.526 8.152 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.743 6.909 8.494 1.00 0.00 H new ATOM 508 N ARG A 31 -6.264 11.226 8.474 1.00 0.00 N ATOM 509 CA ARG A 31 -5.548 12.490 8.420 1.00 0.00 C ATOM 510 C ARG A 31 -5.825 13.201 7.094 1.00 0.00 C ATOM 511 O ARG A 31 -6.028 14.414 7.067 1.00 0.00 O ATOM 512 CB ARG A 31 -4.041 12.275 8.571 1.00 0.00 C ATOM 513 CG ARG A 31 -3.275 13.578 8.331 1.00 0.00 C ATOM 514 CD ARG A 31 -1.865 13.296 7.807 1.00 0.00 C ATOM 515 NE ARG A 31 -1.058 14.537 7.834 1.00 0.00 N ATOM 516 CZ ARG A 31 0.289 14.562 7.910 1.00 0.00 C ATOM 517 NH1 ARG A 31 0.994 13.412 7.968 1.00 0.00 N ATOM 518 NH2 ARG A 31 0.908 15.729 7.928 1.00 0.00 N ATOM 0 H ARG A 31 -5.689 10.402 8.298 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.900 13.107 9.247 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.822 11.899 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.706 11.516 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.816 14.196 7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.215 14.145 9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.388 12.529 8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.917 12.908 6.790 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.551 15.429 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.509 12.515 7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.012 13.440 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.368 16.593 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.926 15.766 7.985 1.00 0.00 H new ATOM 531 N LEU A 32 -5.824 12.416 6.027 1.00 0.00 N ATOM 532 CA LEU A 32 -6.073 12.956 4.700 1.00 0.00 C ATOM 533 C LEU A 32 -7.580 12.970 4.435 1.00 0.00 C ATOM 534 O LEU A 32 -8.012 13.201 3.305 1.00 0.00 O ATOM 535 CB LEU A 32 -5.270 12.186 3.650 1.00 0.00 C ATOM 536 CG LEU A 32 -3.804 12.593 3.495 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.232 13.099 4.821 1.00 0.00 C ATOM 538 CD2 LEU A 32 -2.974 11.447 2.915 1.00 0.00 C ATOM 0 H LEU A 32 -5.655 11.410 6.054 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.729 13.988 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.308 11.125 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.763 12.305 2.685 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.753 13.419 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.188 13.382 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.802 13.966 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.298 12.310 5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.936 11.764 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.028 10.585 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.366 11.174 1.935 1.00 0.00 H new ATOM 550 N GLY A 33 -8.337 12.721 5.493 1.00 0.00 N ATOM 551 CA GLY A 33 -9.786 12.703 5.388 1.00 0.00 C ATOM 552 C GLY A 33 -10.231 12.125 4.044 1.00 0.00 C ATOM 553 O GLY A 33 -10.972 12.767 3.301 1.00 0.00 O ATOM 0 H GLY A 33 -7.974 12.530 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.206 12.109 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.175 13.715 5.499 1.00 0.00 H new ATOM 557 N MET A 34 -9.761 10.916 3.771 1.00 0.00 N ATOM 558 CA MET A 34 -10.100 10.243 2.529 1.00 0.00 C ATOM 559 C MET A 34 -10.093 8.723 2.709 1.00 0.00 C ATOM 560 O MET A 34 -9.779 8.224 3.789 1.00 0.00 O ATOM 561 CB MET A 34 -9.094 10.634 1.445 1.00 0.00 C ATOM 562 CG MET A 34 -9.433 12.002 0.849 1.00 0.00 C ATOM 563 SD MET A 34 -8.161 12.501 -0.298 1.00 0.00 S ATOM 564 CE MET A 34 -7.541 13.952 0.537 1.00 0.00 C ATOM 0 H MET A 34 -9.148 10.385 4.390 1.00 0.00 H new ATOM 0 HA MET A 34 -11.103 10.550 2.233 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.089 10.656 1.867 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.092 9.881 0.657 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.396 11.957 0.340 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.527 12.741 1.645 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.232 14.692 -0.201 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.325 14.373 1.166 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.687 13.678 1.156 1.00 0.00 H new ATOM 574 N MET A 35 -10.444 8.031 1.634 1.00 0.00 N ATOM 575 CA MET A 35 -10.481 6.579 1.661 1.00 0.00 C ATOM 576 C MET A 35 -9.561 5.988 0.589 1.00 0.00 C ATOM 577 O MET A 35 -10.012 5.649 -0.503 1.00 0.00 O ATOM 578 CB MET A 35 -11.913 6.100 1.423 1.00 0.00 C ATOM 579 CG MET A 35 -12.350 5.116 2.509 1.00 0.00 C ATOM 580 SD MET A 35 -12.230 3.442 1.900 1.00 0.00 S ATOM 581 CE MET A 35 -13.347 2.621 3.025 1.00 0.00 C ATOM 0 H MET A 35 -10.705 8.449 0.741 1.00 0.00 H new ATOM 0 HA MET A 35 -10.134 6.243 2.638 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.589 6.955 1.409 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.983 5.623 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.724 5.236 3.393 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.375 5.329 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.391 1.559 2.784 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.991 2.747 4.048 1.00 0.00 H new ATOM 0 HE3 MET A 35 -14.342 3.056 2.931 1.00 0.00 H new ATOM 591 N THR A 36 -8.288 5.881 0.942 1.00 0.00 N ATOM 592 CA THR A 36 -7.301 5.336 0.025 1.00 0.00 C ATOM 593 C THR A 36 -7.755 3.972 -0.498 1.00 0.00 C ATOM 594 O THR A 36 -8.561 3.295 0.139 1.00 0.00 O ATOM 595 CB THR A 36 -5.955 5.291 0.752 1.00 0.00 C ATOM 596 OG1 THR A 36 -6.147 4.324 1.781 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.655 6.585 1.509 1.00 0.00 C ATOM 0 H THR A 36 -7.918 6.162 1.850 1.00 0.00 H new ATOM 0 HA THR A 36 -7.190 5.966 -0.857 1.00 0.00 H new ATOM 0 HB THR A 36 -5.160 5.099 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.321 4.231 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.689 6.500 2.007 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.630 7.419 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.432 6.760 2.253 1.00 0.00 H new ATOM 605 N THR A 37 -7.217 3.608 -1.653 1.00 0.00 N ATOM 606 CA THR A 37 -7.557 2.336 -2.268 1.00 0.00 C ATOM 607 C THR A 37 -6.290 1.615 -2.735 1.00 0.00 C ATOM 608 O THR A 37 -5.235 2.231 -2.868 1.00 0.00 O ATOM 609 CB THR A 37 -8.552 2.609 -3.398 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.805 2.741 -2.732 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.743 1.398 -4.314 1.00 0.00 C ATOM 0 H THR A 37 -6.549 4.171 -2.179 1.00 0.00 H new ATOM 0 HA THR A 37 -8.031 1.664 -1.553 1.00 0.00 H new ATOM 0 HB THR A 37 -8.209 3.460 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.508 2.921 -3.390 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.458 1.644 -5.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.788 1.129 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.119 0.557 -3.731 1.00 0.00 H new ATOM 619 N VAL A 38 -6.438 0.320 -2.970 1.00 0.00 N ATOM 620 CA VAL A 38 -5.320 -0.493 -3.418 1.00 0.00 C ATOM 621 C VAL A 38 -5.687 -1.172 -4.740 1.00 0.00 C ATOM 622 O VAL A 38 -6.049 -2.347 -4.758 1.00 0.00 O ATOM 623 CB VAL A 38 -4.924 -1.487 -2.325 1.00 0.00 C ATOM 624 CG1 VAL A 38 -3.743 -2.352 -2.773 1.00 0.00 C ATOM 625 CG2 VAL A 38 -4.608 -0.763 -1.015 1.00 0.00 C ATOM 0 H VAL A 38 -7.316 -0.187 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.445 0.130 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.773 -2.146 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.481 -3.050 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.019 -2.909 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.887 -1.714 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.329 -1.492 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.782 -0.069 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.487 -0.211 -0.683 1.00 0.00 H new ATOM 635 N SER A 39 -5.579 -0.402 -5.813 1.00 0.00 N ATOM 636 CA SER A 39 -5.893 -0.915 -7.137 1.00 0.00 C ATOM 637 C SER A 39 -4.641 -1.525 -7.773 1.00 0.00 C ATOM 638 O SER A 39 -4.547 -1.617 -8.995 1.00 0.00 O ATOM 639 CB SER A 39 -6.463 0.186 -8.032 1.00 0.00 C ATOM 640 OG SER A 39 -7.747 -0.155 -8.547 1.00 0.00 O ATOM 0 H SER A 39 -5.279 0.573 -5.793 1.00 0.00 H new ATOM 0 HA SER A 39 -6.652 -1.690 -7.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.535 1.114 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.778 0.371 -8.860 1.00 0.00 H new ATOM 0 HG SER A 39 -8.077 0.575 -9.112 1.00 0.00 H new ATOM 646 N GLY A 40 -3.714 -1.924 -6.915 1.00 0.00 N ATOM 647 CA GLY A 40 -2.475 -2.522 -7.378 1.00 0.00 C ATOM 648 C GLY A 40 -1.646 -3.047 -6.204 1.00 0.00 C ATOM 649 O GLY A 40 -1.476 -2.355 -5.201 1.00 0.00 O ATOM 0 H GLY A 40 -3.797 -1.845 -5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.696 -3.339 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.897 -1.784 -7.935 1.00 0.00 H new ATOM 653 N VAL A 41 -1.155 -4.266 -6.367 1.00 0.00 N ATOM 654 CA VAL A 41 -0.350 -4.893 -5.332 1.00 0.00 C ATOM 655 C VAL A 41 0.638 -5.866 -5.980 1.00 0.00 C ATOM 656 O VAL A 41 0.257 -6.664 -6.835 1.00 0.00 O ATOM 657 CB VAL A 41 -1.255 -5.561 -4.296 1.00 0.00 C ATOM 658 CG1 VAL A 41 -2.220 -6.544 -4.965 1.00 0.00 C ATOM 659 CG2 VAL A 41 -0.429 -6.257 -3.212 1.00 0.00 C ATOM 0 H VAL A 41 -1.299 -4.837 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 41 0.234 -4.144 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.847 -4.782 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.853 -7.006 -4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.844 -6.010 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.651 -7.317 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.098 -6.724 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.201 -7.020 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.199 -5.524 -2.706 1.00 0.00 H new ATOM 669 N GLU A 42 1.887 -5.766 -5.549 1.00 0.00 N ATOM 670 CA GLU A 42 2.932 -6.628 -6.076 1.00 0.00 C ATOM 671 C GLU A 42 3.864 -7.080 -4.950 1.00 0.00 C ATOM 672 O GLU A 42 4.391 -6.254 -4.208 1.00 0.00 O ATOM 673 CB GLU A 42 3.712 -5.923 -7.186 1.00 0.00 C ATOM 674 CG GLU A 42 2.768 -5.217 -8.159 1.00 0.00 C ATOM 675 CD GLU A 42 3.535 -4.645 -9.354 1.00 0.00 C ATOM 676 OE1 GLU A 42 4.554 -5.219 -9.767 1.00 0.00 O ATOM 677 OE2 GLU A 42 3.038 -3.565 -9.855 1.00 0.00 O ATOM 0 H GLU A 42 2.199 -5.101 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 42 2.465 -7.512 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.398 -5.197 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.319 -6.650 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.012 -5.919 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.242 -4.414 -7.642 1.00 0.00 H new ATOM 685 N MET A 43 4.039 -8.391 -4.861 1.00 0.00 N ATOM 686 CA MET A 43 4.900 -8.963 -3.839 1.00 0.00 C ATOM 687 C MET A 43 5.860 -9.988 -4.444 1.00 0.00 C ATOM 688 O MET A 43 5.451 -11.092 -4.801 1.00 0.00 O ATOM 689 CB MET A 43 4.040 -9.637 -2.768 1.00 0.00 C ATOM 690 CG MET A 43 2.606 -9.105 -2.801 1.00 0.00 C ATOM 691 SD MET A 43 1.662 -9.813 -1.462 1.00 0.00 S ATOM 692 CE MET A 43 0.699 -8.391 -0.975 1.00 0.00 C ATOM 0 H MET A 43 3.600 -9.073 -5.479 1.00 0.00 H new ATOM 0 HA MET A 43 5.489 -8.161 -3.393 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.035 -10.715 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.474 -9.461 -1.784 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.611 -8.018 -2.719 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.140 -9.351 -3.755 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.717 -8.294 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.121 -7.493 -1.427 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.330 -8.516 -1.311 1.00 0.00 H new ATOM 702 N SER A 44 7.119 -9.588 -4.539 1.00 0.00 N ATOM 703 CA SER A 44 8.142 -10.459 -5.093 1.00 0.00 C ATOM 704 C SER A 44 9.117 -10.887 -3.995 1.00 0.00 C ATOM 705 O SER A 44 9.928 -10.087 -3.533 1.00 0.00 O ATOM 706 CB SER A 44 8.895 -9.769 -6.231 1.00 0.00 C ATOM 707 OG SER A 44 8.871 -10.536 -7.431 1.00 0.00 O ATOM 0 H SER A 44 7.455 -8.672 -4.242 1.00 0.00 H new ATOM 0 HA SER A 44 7.653 -11.344 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.452 -8.791 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.929 -9.599 -5.930 1.00 0.00 H new ATOM 0 HG SER A 44 9.108 -9.963 -8.190 1.00 0.00 H new ATOM 713 N ARG A 45 9.005 -12.149 -3.608 1.00 0.00 N ATOM 714 CA ARG A 45 9.867 -12.694 -2.572 1.00 0.00 C ATOM 715 C ARG A 45 11.009 -13.495 -3.199 1.00 0.00 C ATOM 716 O ARG A 45 11.914 -13.943 -2.498 1.00 0.00 O ATOM 717 CB ARG A 45 9.080 -13.600 -1.621 1.00 0.00 C ATOM 718 CG ARG A 45 8.252 -12.773 -0.635 1.00 0.00 C ATOM 719 CD ARG A 45 6.767 -12.809 -0.999 1.00 0.00 C ATOM 720 NE ARG A 45 6.320 -14.210 -1.162 1.00 0.00 N ATOM 721 CZ ARG A 45 5.119 -14.569 -1.664 1.00 0.00 C ATOM 722 NH1 ARG A 45 4.234 -13.629 -2.059 1.00 0.00 N ATOM 723 NH2 ARG A 45 4.824 -15.852 -1.764 1.00 0.00 N ATOM 0 H ARG A 45 8.330 -12.810 -3.993 1.00 0.00 H new ATOM 0 HA ARG A 45 10.274 -11.857 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.423 -14.253 -2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.768 -14.243 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.392 -13.158 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.605 -11.742 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.181 -12.320 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.597 -12.255 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 45 6.960 -14.952 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.471 -12.640 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.329 -13.908 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.499 -16.555 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.921 -16.140 -2.141 1.00 0.00 H new ATOM 736 N ASP A 46 10.931 -13.648 -4.513 1.00 0.00 N ATOM 737 CA ASP A 46 11.949 -14.386 -5.241 1.00 0.00 C ATOM 738 C ASP A 46 13.326 -13.812 -4.909 1.00 0.00 C ATOM 739 O ASP A 46 14.344 -14.474 -5.106 1.00 0.00 O ATOM 740 CB ASP A 46 11.738 -14.269 -6.752 1.00 0.00 C ATOM 741 CG ASP A 46 10.285 -14.388 -7.215 1.00 0.00 C ATOM 742 OD1 ASP A 46 9.557 -13.389 -7.305 1.00 0.00 O ATOM 743 OD2 ASP A 46 9.899 -15.589 -7.493 1.00 0.00 O ATOM 0 H ASP A 46 10.179 -13.274 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 46 11.881 -15.433 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.132 -13.309 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.325 -15.043 -7.246 1.00 0.00 H new ATOM 749 N LEU A 47 13.315 -12.585 -4.410 1.00 0.00 N ATOM 750 CA LEU A 47 14.552 -11.913 -4.048 1.00 0.00 C ATOM 751 C LEU A 47 14.317 -11.059 -2.799 1.00 0.00 C ATOM 752 O LEU A 47 14.806 -11.384 -1.719 1.00 0.00 O ATOM 753 CB LEU A 47 15.102 -11.124 -5.238 1.00 0.00 C ATOM 754 CG LEU A 47 16.183 -11.824 -6.064 1.00 0.00 C ATOM 755 CD1 LEU A 47 15.619 -12.320 -7.397 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.399 -10.917 -6.258 1.00 0.00 C ATOM 0 H LEU A 47 12.469 -12.038 -4.248 1.00 0.00 H new ATOM 0 HA LEU A 47 15.322 -12.642 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.272 -10.875 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.508 -10.182 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 47 16.521 -12.700 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.408 -12.814 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.810 -13.026 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.237 -11.474 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.152 -11.439 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.096 -10.008 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.817 -10.656 -5.286 1.00 0.00 H new ATOM 768 N ALA A 48 13.568 -9.982 -2.991 1.00 0.00 N ATOM 769 CA ALA A 48 13.262 -9.079 -1.894 1.00 0.00 C ATOM 770 C ALA A 48 12.843 -7.721 -2.461 1.00 0.00 C ATOM 771 O ALA A 48 13.511 -6.714 -2.227 1.00 0.00 O ATOM 772 CB ALA A 48 14.474 -8.976 -0.966 1.00 0.00 C ATOM 0 H ALA A 48 13.165 -9.715 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 48 12.430 -9.460 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.246 -8.299 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.713 -9.963 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 48 15.328 -8.593 -1.524 1.00 0.00 H new ATOM 778 N TYR A 49 11.739 -7.736 -3.193 1.00 0.00 N ATOM 779 CA TYR A 49 11.223 -6.518 -3.794 1.00 0.00 C ATOM 780 C TYR A 49 9.725 -6.639 -4.077 1.00 0.00 C ATOM 781 O TYR A 49 9.278 -7.623 -4.664 1.00 0.00 O ATOM 782 CB TYR A 49 11.969 -6.354 -5.120 1.00 0.00 C ATOM 783 CG TYR A 49 11.674 -7.453 -6.140 1.00 0.00 C ATOM 784 CD1 TYR A 49 10.625 -7.310 -7.026 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.457 -8.590 -6.176 1.00 0.00 C ATOM 786 CE1 TYR A 49 10.347 -8.345 -7.988 1.00 0.00 C ATOM 787 CE2 TYR A 49 12.179 -9.625 -7.138 1.00 0.00 C ATOM 788 CZ TYR A 49 11.138 -9.452 -7.995 1.00 0.00 C ATOM 789 OH TYR A 49 10.875 -10.431 -8.903 1.00 0.00 O ATOM 0 H TYR A 49 11.187 -8.573 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 49 11.366 -5.669 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.708 -5.389 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 49 13.041 -6.335 -4.922 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.012 -6.421 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 49 13.278 -8.703 -5.483 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.530 -8.245 -8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 49 12.784 -10.519 -7.178 1.00 0.00 H new ATOM 0 HH TYR A 49 10.308 -11.116 -8.491 1.00 0.00 H new ATOM 799 N ALA A 50 8.990 -5.623 -3.647 1.00 0.00 N ATOM 800 CA ALA A 50 7.551 -5.604 -3.847 1.00 0.00 C ATOM 801 C ALA A 50 7.120 -4.198 -4.277 1.00 0.00 C ATOM 802 O ALA A 50 7.874 -3.239 -4.119 1.00 0.00 O ATOM 803 CB ALA A 50 6.851 -6.060 -2.566 1.00 0.00 C ATOM 0 H ALA A 50 9.364 -4.808 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 50 7.264 -6.296 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.772 -6.046 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.169 -7.073 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.113 -5.387 -1.749 1.00 0.00 H new ATOM 809 N LYS A 51 5.910 -4.124 -4.813 1.00 0.00 N ATOM 810 CA LYS A 51 5.370 -2.855 -5.267 1.00 0.00 C ATOM 811 C LYS A 51 3.875 -2.798 -4.950 1.00 0.00 C ATOM 812 O LYS A 51 3.068 -3.428 -5.633 1.00 0.00 O ATOM 813 CB LYS A 51 5.694 -2.632 -6.745 1.00 0.00 C ATOM 814 CG LYS A 51 6.701 -3.669 -7.247 1.00 0.00 C ATOM 815 CD LYS A 51 7.142 -3.358 -8.679 1.00 0.00 C ATOM 816 CE LYS A 51 8.645 -3.082 -8.742 1.00 0.00 C ATOM 817 NZ LYS A 51 9.175 -3.401 -10.088 1.00 0.00 N ATOM 0 H LYS A 51 5.289 -4.923 -4.943 1.00 0.00 H new ATOM 0 HA LYS A 51 5.841 -2.029 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.779 -2.692 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.098 -1.629 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.571 -3.684 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.255 -4.663 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.895 -4.197 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.594 -2.493 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.839 -2.035 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.162 -3.678 -7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.197 -3.208 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.007 -4.406 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.694 -2.814 -10.799 1.00 0.00 H new ATOM 830 N VAL A 52 3.549 -2.039 -3.913 1.00 0.00 N ATOM 831 CA VAL A 52 2.165 -1.894 -3.497 1.00 0.00 C ATOM 832 C VAL A 52 1.631 -0.544 -3.980 1.00 0.00 C ATOM 833 O VAL A 52 2.214 0.500 -3.687 1.00 0.00 O ATOM 834 CB VAL A 52 2.053 -2.074 -1.982 1.00 0.00 C ATOM 835 CG1 VAL A 52 3.014 -1.141 -1.246 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.612 -1.860 -1.510 1.00 0.00 C ATOM 0 H VAL A 52 4.220 -1.518 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 52 1.546 -2.669 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 52 2.335 -3.100 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.914 -1.290 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.038 -1.361 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.777 -0.106 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.559 -1.994 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.291 -0.850 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.042 -2.583 -1.997 1.00 0.00 H new ATOM 846 N TYR A 53 0.530 -0.605 -4.713 1.00 0.00 N ATOM 847 CA TYR A 53 -0.088 0.599 -5.240 1.00 0.00 C ATOM 848 C TYR A 53 -1.103 1.173 -4.247 1.00 0.00 C ATOM 849 O TYR A 53 -1.687 0.436 -3.456 1.00 0.00 O ATOM 850 CB TYR A 53 -0.823 0.175 -6.513 1.00 0.00 C ATOM 851 CG TYR A 53 -0.504 1.040 -7.733 1.00 0.00 C ATOM 852 CD1 TYR A 53 0.775 1.056 -8.253 1.00 0.00 C ATOM 853 CD2 TYR A 53 -1.493 1.804 -8.314 1.00 0.00 C ATOM 854 CE1 TYR A 53 1.075 1.871 -9.401 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.193 2.620 -9.463 1.00 0.00 C ATOM 856 CZ TYR A 53 0.076 2.613 -9.949 1.00 0.00 C ATOM 857 OH TYR A 53 0.360 3.383 -11.035 1.00 0.00 O ATOM 0 H TYR A 53 0.049 -1.471 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 53 0.664 1.365 -5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.570 -0.861 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.897 0.207 -6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.550 0.457 -7.798 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.494 1.791 -7.908 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.071 1.893 -9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.959 3.223 -9.927 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.449 3.857 -11.320 1.00 0.00 H new ATOM 867 N VAL A 54 -1.278 2.484 -4.324 1.00 0.00 N ATOM 868 CA VAL A 54 -2.211 3.165 -3.442 1.00 0.00 C ATOM 869 C VAL A 54 -2.705 4.445 -4.121 1.00 0.00 C ATOM 870 O VAL A 54 -1.904 5.280 -4.538 1.00 0.00 O ATOM 871 CB VAL A 54 -1.555 3.424 -2.084 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.638 2.185 -1.191 1.00 0.00 C ATOM 873 CG2 VAL A 54 -0.105 3.881 -2.255 1.00 0.00 C ATOM 0 H VAL A 54 -0.791 3.092 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.083 2.539 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.104 4.228 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.165 2.395 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.683 1.922 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.125 1.353 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.339 4.058 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.461 3.108 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.080 4.802 -2.837 1.00 0.00 H new ATOM 883 N THR A 55 -4.023 4.558 -4.211 1.00 0.00 N ATOM 884 CA THR A 55 -4.633 5.722 -4.831 1.00 0.00 C ATOM 885 C THR A 55 -5.408 6.536 -3.793 1.00 0.00 C ATOM 886 O THR A 55 -6.125 5.973 -2.966 1.00 0.00 O ATOM 887 CB THR A 55 -5.501 5.236 -5.995 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.599 6.144 -6.010 1.00 0.00 O ATOM 889 CG2 THR A 55 -6.147 3.877 -5.715 1.00 0.00 C ATOM 0 H THR A 55 -4.684 3.863 -3.865 1.00 0.00 H new ATOM 0 HA THR A 55 -3.878 6.399 -5.230 1.00 0.00 H new ATOM 0 HB THR A 55 -4.895 5.171 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.332 6.973 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.752 3.578 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.369 3.133 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.781 3.951 -4.831 1.00 0.00 H new ATOM 897 N PHE A 56 -5.237 7.846 -3.869 1.00 0.00 N ATOM 898 CA PHE A 56 -5.912 8.743 -2.945 1.00 0.00 C ATOM 899 C PHE A 56 -6.607 9.882 -3.696 1.00 0.00 C ATOM 900 O PHE A 56 -6.261 10.179 -4.838 1.00 0.00 O ATOM 901 CB PHE A 56 -4.838 9.334 -2.030 1.00 0.00 C ATOM 902 CG PHE A 56 -3.776 8.325 -1.584 1.00 0.00 C ATOM 903 CD1 PHE A 56 -2.916 7.796 -2.496 1.00 0.00 C ATOM 904 CD2 PHE A 56 -3.693 7.958 -0.278 1.00 0.00 C ATOM 905 CE1 PHE A 56 -1.932 6.860 -2.083 1.00 0.00 C ATOM 906 CE2 PHE A 56 -2.708 7.021 0.135 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.848 6.492 -0.776 1.00 0.00 C ATOM 0 H PHE A 56 -4.641 8.309 -4.555 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.670 8.197 -2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.347 10.158 -2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.319 9.754 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.982 8.088 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.376 8.378 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.250 6.440 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.642 6.729 1.173 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.099 5.780 -0.462 1.00 0.00 H new ATOM 917 N LEU A 57 -7.574 10.487 -3.023 1.00 0.00 N ATOM 918 CA LEU A 57 -8.320 11.586 -3.611 1.00 0.00 C ATOM 919 C LEU A 57 -7.661 12.912 -3.222 1.00 0.00 C ATOM 920 O LEU A 57 -8.275 13.972 -3.337 1.00 0.00 O ATOM 921 CB LEU A 57 -9.798 11.498 -3.226 1.00 0.00 C ATOM 922 CG LEU A 57 -10.766 12.309 -4.089 1.00 0.00 C ATOM 923 CD1 LEU A 57 -11.120 11.553 -5.373 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.013 12.702 -3.295 1.00 0.00 C ATOM 0 H LEU A 57 -7.858 10.237 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.294 11.524 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.100 10.451 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.903 11.825 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.268 13.233 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.809 12.151 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.212 11.366 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.590 10.603 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.684 13.278 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.523 11.803 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.722 13.306 -2.436 1.00 0.00 H new ATOM 936 N ASN A 58 -6.421 12.808 -2.767 1.00 0.00 N ATOM 937 CA ASN A 58 -5.673 13.985 -2.360 1.00 0.00 C ATOM 938 C ASN A 58 -5.595 14.965 -3.532 1.00 0.00 C ATOM 939 O ASN A 58 -5.535 16.178 -3.328 1.00 0.00 O ATOM 940 CB ASN A 58 -4.244 13.616 -1.956 1.00 0.00 C ATOM 941 CG ASN A 58 -4.090 13.607 -0.434 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.575 12.673 0.158 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.563 14.697 0.164 1.00 0.00 N ATOM 0 H ASN A 58 -5.916 11.927 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.185 14.432 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.991 12.634 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.544 14.328 -2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.506 14.787 1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.982 15.442 -0.392 1.00 0.00 H new ATOM 950 N ASP A 59 -5.599 14.405 -4.732 1.00 0.00 N ATOM 951 CA ASP A 59 -5.529 15.215 -5.937 1.00 0.00 C ATOM 952 C ASP A 59 -6.400 16.460 -5.760 1.00 0.00 C ATOM 953 O ASP A 59 -6.007 17.558 -6.153 1.00 0.00 O ATOM 954 CB ASP A 59 -6.051 14.443 -7.150 1.00 0.00 C ATOM 955 CG ASP A 59 -6.540 15.314 -8.308 1.00 0.00 C ATOM 956 OD1 ASP A 59 -7.752 15.473 -8.520 1.00 0.00 O ATOM 957 OD2 ASP A 59 -5.608 15.848 -9.022 1.00 0.00 O ATOM 0 H ASP A 59 -5.650 13.400 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.486 15.485 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.258 13.791 -7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.870 13.800 -6.828 1.00 0.00 H new ATOM 963 N LYS A 60 -7.566 16.249 -5.167 1.00 0.00 N ATOM 964 CA LYS A 60 -8.496 17.341 -4.931 1.00 0.00 C ATOM 965 C LYS A 60 -7.716 18.584 -4.494 1.00 0.00 C ATOM 966 O LYS A 60 -7.991 19.688 -4.959 1.00 0.00 O ATOM 967 CB LYS A 60 -9.583 16.916 -3.941 1.00 0.00 C ATOM 968 CG LYS A 60 -10.801 16.351 -4.674 1.00 0.00 C ATOM 969 CD LYS A 60 -12.092 17.001 -4.173 1.00 0.00 C ATOM 970 CE LYS A 60 -12.594 16.311 -2.903 1.00 0.00 C ATOM 971 NZ LYS A 60 -13.530 17.194 -2.169 1.00 0.00 N ATOM 0 H LYS A 60 -7.888 15.337 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.020 17.600 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.185 16.166 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.883 17.771 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.696 16.521 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.851 15.272 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.918 18.058 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.856 16.945 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.093 15.377 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.750 16.054 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.861 16.711 -1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.042 18.074 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.344 17.418 -2.776 1.00 0.00 H new ATOM 984 N ASP A 61 -6.761 18.360 -3.604 1.00 0.00 N ATOM 985 CA ASP A 61 -5.940 19.448 -3.099 1.00 0.00 C ATOM 986 C ASP A 61 -4.463 19.085 -3.263 1.00 0.00 C ATOM 987 O ASP A 61 -3.995 18.100 -2.693 1.00 0.00 O ATOM 988 CB ASP A 61 -6.205 19.692 -1.611 1.00 0.00 C ATOM 989 CG ASP A 61 -7.619 19.346 -1.141 1.00 0.00 C ATOM 990 OD1 ASP A 61 -7.994 18.167 -1.058 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.361 20.360 -0.849 1.00 0.00 O ATOM 0 H ASP A 61 -6.537 17.442 -3.220 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.188 20.348 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.492 19.107 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.012 20.742 -1.390 1.00 0.00 H new ATOM 997 N GLU A 62 -3.771 19.901 -4.043 1.00 0.00 N ATOM 998 CA GLU A 62 -2.355 19.678 -4.289 1.00 0.00 C ATOM 999 C GLU A 62 -1.552 19.897 -3.005 1.00 0.00 C ATOM 1000 O GLU A 62 -0.434 19.401 -2.877 1.00 0.00 O ATOM 1001 CB GLU A 62 -1.846 20.581 -5.415 1.00 0.00 C ATOM 1002 CG GLU A 62 -0.501 20.085 -5.949 1.00 0.00 C ATOM 1003 CD GLU A 62 0.328 21.243 -6.509 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.186 22.049 -7.298 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.548 21.290 -6.094 1.00 0.00 O ATOM 0 H GLU A 62 -4.163 20.717 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.219 18.644 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.576 20.606 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.742 21.602 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.052 19.591 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.667 19.342 -6.729 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.155 20.638 -2.087 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.510 20.926 -0.818 1.00 0.00 C ATOM 1015 C ASP A 63 -1.467 19.653 0.030 1.00 0.00 C ATOM 1016 O ASP A 63 -0.444 19.343 0.637 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.285 21.988 -0.035 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.455 23.190 0.422 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -0.914 23.204 1.537 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.374 24.153 -0.431 1.00 0.00 O ATOM 0 H ASP A 63 -3.083 21.047 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.505 21.292 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.106 22.347 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.730 21.518 0.842 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.590 18.951 0.042 1.00 0.00 N ATOM 1027 CA ALA A 64 -2.693 17.717 0.805 1.00 0.00 C ATOM 1028 C ALA A 64 -2.047 16.578 0.013 1.00 0.00 C ATOM 1029 O ALA A 64 -1.699 15.544 0.581 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.161 17.442 1.132 1.00 0.00 C ATOM 0 H ALA A 64 -3.436 19.212 -0.464 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.159 17.804 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.239 16.517 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.564 18.267 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.728 17.345 0.206 1.00 0.00 H new ATOM 1036 N VAL A 65 -1.908 16.807 -1.285 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.311 15.812 -2.160 1.00 0.00 C ATOM 1038 C VAL A 65 0.200 15.775 -1.925 1.00 0.00 C ATOM 1039 O VAL A 65 0.799 14.700 -1.878 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.683 16.104 -3.614 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.483 16.650 -4.388 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.254 14.858 -4.294 1.00 0.00 C ATOM 0 H VAL A 65 -2.198 17.666 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.700 14.820 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.458 16.871 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.775 16.849 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.140 17.574 -3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.323 15.916 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.511 15.093 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.511 14.061 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.148 14.531 -3.763 1.00 0.00 H new ATOM 1052 N LYS A 66 0.774 16.960 -1.784 1.00 0.00 N ATOM 1053 CA LYS A 66 2.204 17.077 -1.556 1.00 0.00 C ATOM 1054 C LYS A 66 2.517 16.706 -0.105 1.00 0.00 C ATOM 1055 O LYS A 66 3.402 15.891 0.155 1.00 0.00 O ATOM 1056 CB LYS A 66 2.700 18.469 -1.954 1.00 0.00 C ATOM 1057 CG LYS A 66 4.183 18.437 -2.325 1.00 0.00 C ATOM 1058 CD LYS A 66 4.716 19.849 -2.577 1.00 0.00 C ATOM 1059 CE LYS A 66 6.244 19.857 -2.640 1.00 0.00 C ATOM 1060 NZ LYS A 66 6.803 20.693 -1.554 1.00 0.00 N ATOM 0 H LYS A 66 0.274 17.848 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 66 2.748 16.377 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.118 18.839 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.543 19.165 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.752 17.967 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.325 17.826 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.308 20.234 -3.512 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.378 20.516 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.623 18.838 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.572 20.239 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.841 20.688 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.456 21.668 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.505 20.311 -0.634 1.00 0.00 H new ATOM 1073 N ALA A 67 1.773 17.320 0.804 1.00 0.00 N ATOM 1074 CA ALA A 67 1.960 17.064 2.221 1.00 0.00 C ATOM 1075 C ALA A 67 1.608 15.606 2.522 1.00 0.00 C ATOM 1076 O ALA A 67 2.397 14.887 3.134 1.00 0.00 O ATOM 1077 CB ALA A 67 1.115 18.048 3.033 1.00 0.00 C ATOM 0 H ALA A 67 1.039 17.994 0.586 1.00 0.00 H new ATOM 0 HA ALA A 67 3.001 17.217 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.255 17.856 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.424 19.068 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.063 17.922 2.777 1.00 0.00 H new ATOM 1083 N GLY A 68 0.423 15.213 2.078 1.00 0.00 N ATOM 1084 CA GLY A 68 -0.042 13.854 2.293 1.00 0.00 C ATOM 1085 C GLY A 68 0.962 12.836 1.748 1.00 0.00 C ATOM 1086 O GLY A 68 1.491 12.017 2.497 1.00 0.00 O ATOM 0 H GLY A 68 -0.228 15.812 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.196 13.683 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.007 13.715 1.805 1.00 0.00 H new ATOM 1090 N ILE A 69 1.195 12.922 0.447 1.00 0.00 N ATOM 1091 CA ILE A 69 2.127 12.021 -0.208 1.00 0.00 C ATOM 1092 C ILE A 69 3.489 12.111 0.483 1.00 0.00 C ATOM 1093 O ILE A 69 4.182 11.106 0.631 1.00 0.00 O ATOM 1094 CB ILE A 69 2.180 12.302 -1.711 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.599 11.052 -2.489 1.00 0.00 C ATOM 1096 CG2 ILE A 69 3.087 13.496 -2.013 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.868 11.387 -3.958 1.00 0.00 C ATOM 0 H ILE A 69 0.754 13.603 -0.172 1.00 0.00 H new ATOM 0 HA ILE A 69 1.788 10.989 -0.113 1.00 0.00 H new ATOM 0 HB ILE A 69 1.177 12.567 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.495 10.623 -2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.815 10.297 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.107 13.675 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.704 14.381 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.097 13.284 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.164 10.482 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.963 11.794 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.669 12.124 -4.022 1.00 0.00 H new ATOM 1109 N LYS A 70 3.831 13.325 0.888 1.00 0.00 N ATOM 1110 CA LYS A 70 5.097 13.561 1.561 1.00 0.00 C ATOM 1111 C LYS A 70 5.133 12.763 2.866 1.00 0.00 C ATOM 1112 O LYS A 70 6.195 12.318 3.297 1.00 0.00 O ATOM 1113 CB LYS A 70 5.334 15.061 1.749 1.00 0.00 C ATOM 1114 CG LYS A 70 6.560 15.316 2.627 1.00 0.00 C ATOM 1115 CD LYS A 70 7.116 16.723 2.397 1.00 0.00 C ATOM 1116 CE LYS A 70 6.049 17.785 2.671 1.00 0.00 C ATOM 1117 NZ LYS A 70 6.359 18.522 3.917 1.00 0.00 N ATOM 0 H LYS A 70 3.253 14.156 0.763 1.00 0.00 H new ATOM 0 HA LYS A 70 5.926 13.207 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.473 15.535 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.455 15.518 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.292 15.194 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.330 14.576 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.975 16.889 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.470 16.815 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.996 18.481 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.070 17.313 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.625 19.239 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.386 17.857 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.284 18.989 3.823 1.00 0.00 H new ATOM 1130 N ALA A 71 3.958 12.610 3.459 1.00 0.00 N ATOM 1131 CA ALA A 71 3.841 11.873 4.708 1.00 0.00 C ATOM 1132 C ALA A 71 3.967 10.375 4.425 1.00 0.00 C ATOM 1133 O ALA A 71 4.513 9.630 5.238 1.00 0.00 O ATOM 1134 CB ALA A 71 2.519 12.230 5.389 1.00 0.00 C ATOM 0 H ALA A 71 3.079 12.983 3.099 1.00 0.00 H new ATOM 0 HA ALA A 71 4.644 12.147 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.431 11.678 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.493 13.300 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.689 11.967 4.733 1.00 0.00 H new ATOM 1140 N LEU A 72 3.451 9.978 3.271 1.00 0.00 N ATOM 1141 CA LEU A 72 3.498 8.582 2.872 1.00 0.00 C ATOM 1142 C LEU A 72 4.930 8.215 2.479 1.00 0.00 C ATOM 1143 O LEU A 72 5.324 7.054 2.564 1.00 0.00 O ATOM 1144 CB LEU A 72 2.468 8.303 1.774 1.00 0.00 C ATOM 1145 CG LEU A 72 1.001 8.341 2.206 1.00 0.00 C ATOM 1146 CD1 LEU A 72 0.092 7.787 1.107 1.00 0.00 C ATOM 1147 CD2 LEU A 72 0.802 7.611 3.536 1.00 0.00 C ATOM 0 H LEU A 72 2.998 10.599 2.600 1.00 0.00 H new ATOM 0 HA LEU A 72 3.222 7.938 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.610 9.032 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.676 7.321 1.349 1.00 0.00 H new ATOM 0 HG LEU A 72 0.718 9.382 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.945 7.825 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.206 8.387 0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.367 6.754 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.249 7.653 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.108 6.570 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.406 8.089 4.307 1.00 0.00 H new ATOM 1159 N GLN A 73 5.671 9.230 2.056 1.00 0.00 N ATOM 1160 CA GLN A 73 7.051 9.031 1.650 1.00 0.00 C ATOM 1161 C GLN A 73 7.954 8.900 2.879 1.00 0.00 C ATOM 1162 O GLN A 73 8.721 7.947 2.992 1.00 0.00 O ATOM 1163 CB GLN A 73 7.525 10.165 0.740 1.00 0.00 C ATOM 1164 CG GLN A 73 8.032 9.621 -0.597 1.00 0.00 C ATOM 1165 CD GLN A 73 9.559 9.682 -0.670 1.00 0.00 C ATOM 1166 OE1 GLN A 73 10.150 10.693 -1.013 1.00 0.00 O ATOM 1167 NE2 GLN A 73 10.162 8.547 -0.329 1.00 0.00 N ATOM 0 H GLN A 73 5.341 10.192 1.986 1.00 0.00 H new ATOM 0 HA GLN A 73 7.110 8.104 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.706 10.862 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.320 10.724 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.699 8.591 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 73 7.602 10.198 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.607 7.738 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.180 8.486 -0.345 1.00 0.00 H new ATOM 1176 N GLU A 74 7.830 9.873 3.770 1.00 0.00 N ATOM 1177 CA GLU A 74 8.625 9.880 4.987 1.00 0.00 C ATOM 1178 C GLU A 74 8.284 8.663 5.849 1.00 0.00 C ATOM 1179 O GLU A 74 9.143 8.140 6.557 1.00 0.00 O ATOM 1180 CB GLU A 74 8.421 11.180 5.768 1.00 0.00 C ATOM 1181 CG GLU A 74 7.009 11.253 6.350 1.00 0.00 C ATOM 1182 CD GLU A 74 7.037 11.112 7.874 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.759 11.857 8.553 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.273 10.189 8.350 1.00 0.00 O ATOM 0 H GLU A 74 7.191 10.662 3.674 1.00 0.00 H new ATOM 0 HA GLU A 74 9.678 9.823 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.154 11.244 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.593 12.033 5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.548 12.202 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.393 10.464 5.919 1.00 0.00 H new ATOM 1192 N ALA A 75 7.029 8.248 5.761 1.00 0.00 N ATOM 1193 CA ALA A 75 6.564 7.102 6.525 1.00 0.00 C ATOM 1194 C ALA A 75 6.745 5.832 5.691 1.00 0.00 C ATOM 1195 O ALA A 75 6.167 4.792 6.005 1.00 0.00 O ATOM 1196 CB ALA A 75 5.109 7.324 6.943 1.00 0.00 C ATOM 0 H ALA A 75 6.319 8.685 5.172 1.00 0.00 H new ATOM 0 HA ALA A 75 7.150 6.984 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.760 6.465 7.516 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.040 8.222 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.489 7.443 6.054 1.00 0.00 H new ATOM 1202 N SER A 76 7.549 5.957 4.646 1.00 0.00 N ATOM 1203 CA SER A 76 7.814 4.833 3.765 1.00 0.00 C ATOM 1204 C SER A 76 8.340 3.646 4.576 1.00 0.00 C ATOM 1205 O SER A 76 7.615 2.683 4.815 1.00 0.00 O ATOM 1206 CB SER A 76 8.813 5.212 2.671 1.00 0.00 C ATOM 1207 OG SER A 76 9.465 4.070 2.122 1.00 0.00 O ATOM 0 H SER A 76 8.026 6.821 4.389 1.00 0.00 H new ATOM 0 HA SER A 76 6.879 4.550 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.294 5.749 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.559 5.892 3.082 1.00 0.00 H new ATOM 0 HG SER A 76 10.093 4.355 1.426 1.00 0.00 H new ATOM 1213 N GLY A 77 9.599 3.756 4.976 1.00 0.00 N ATOM 1214 CA GLY A 77 10.230 2.704 5.756 1.00 0.00 C ATOM 1215 C GLY A 77 9.374 2.330 6.967 1.00 0.00 C ATOM 1216 O GLY A 77 9.541 1.253 7.540 1.00 0.00 O ATOM 0 H GLY A 77 10.198 4.556 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.384 1.825 5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.214 3.034 6.090 1.00 0.00 H new ATOM 1220 N PHE A 78 8.477 3.237 7.321 1.00 0.00 N ATOM 1221 CA PHE A 78 7.594 3.015 8.454 1.00 0.00 C ATOM 1222 C PHE A 78 6.485 2.023 8.098 1.00 0.00 C ATOM 1223 O PHE A 78 6.166 1.134 8.886 1.00 0.00 O ATOM 1224 CB PHE A 78 6.962 4.365 8.800 1.00 0.00 C ATOM 1225 CG PHE A 78 7.397 4.925 10.156 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.034 4.291 11.302 1.00 0.00 C ATOM 1227 CD2 PHE A 78 8.147 6.058 10.214 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.438 4.810 12.561 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.551 6.578 11.473 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.187 5.944 12.619 1.00 0.00 C ATOM 0 H PHE A 78 8.342 4.128 6.843 1.00 0.00 H new ATOM 0 HA PHE A 78 8.159 2.604 9.291 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.218 5.085 8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.877 4.260 8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.438 3.392 11.255 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.435 6.562 9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.151 4.305 13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 78 9.147 7.477 11.520 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.493 6.341 13.576 1.00 0.00 H new ATOM 1240 N ILE A 79 5.927 2.207 6.911 1.00 0.00 N ATOM 1241 CA ILE A 79 4.861 1.340 6.440 1.00 0.00 C ATOM 1242 C ILE A 79 5.440 -0.036 6.105 1.00 0.00 C ATOM 1243 O ILE A 79 4.818 -1.060 6.386 1.00 0.00 O ATOM 1244 CB ILE A 79 4.112 1.993 5.279 1.00 0.00 C ATOM 1245 CG1 ILE A 79 5.080 2.423 4.174 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.247 3.157 5.768 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.343 2.632 2.849 1.00 0.00 C ATOM 0 H ILE A 79 6.194 2.946 6.260 1.00 0.00 H new ATOM 0 HA ILE A 79 4.117 1.191 7.223 1.00 0.00 H new ATOM 0 HB ILE A 79 3.439 1.252 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.582 3.346 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.854 1.665 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.725 3.603 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.518 2.790 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.881 3.908 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.054 2.937 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.862 1.701 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.587 3.407 2.972 1.00 0.00 H new ATOM 1259 N ARG A 80 6.622 -0.015 5.508 1.00 0.00 N ATOM 1260 CA ARG A 80 7.292 -1.248 5.130 1.00 0.00 C ATOM 1261 C ARG A 80 7.695 -2.036 6.377 1.00 0.00 C ATOM 1262 O ARG A 80 7.466 -3.242 6.456 1.00 0.00 O ATOM 1263 CB ARG A 80 8.537 -0.964 4.288 1.00 0.00 C ATOM 1264 CG ARG A 80 9.432 -2.201 4.198 1.00 0.00 C ATOM 1265 CD ARG A 80 10.375 -2.109 2.996 1.00 0.00 C ATOM 1266 NE ARG A 80 11.487 -1.179 3.296 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.552 -1.495 4.062 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.660 -2.722 4.613 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.488 -0.585 4.263 1.00 0.00 N ATOM 0 H ARG A 80 7.134 0.837 5.276 1.00 0.00 H new ATOM 0 HA ARG A 80 6.593 -1.836 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.240 -0.652 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.096 -0.137 4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.014 -2.301 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.815 -3.095 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.770 -3.096 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.827 -1.764 2.119 1.00 0.00 H new ATOM 0 HE ARG A 80 11.446 -0.240 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.933 -3.419 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.468 -2.952 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.399 0.340 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.300 -0.807 4.839 1.00 0.00 H new ATOM 1282 N SER A 81 8.292 -1.323 7.322 1.00 0.00 N ATOM 1283 CA SER A 81 8.731 -1.939 8.561 1.00 0.00 C ATOM 1284 C SER A 81 7.519 -2.303 9.423 1.00 0.00 C ATOM 1285 O SER A 81 7.502 -3.350 10.066 1.00 0.00 O ATOM 1286 CB SER A 81 9.673 -1.016 9.334 1.00 0.00 C ATOM 1287 OG SER A 81 10.032 -1.556 10.601 1.00 0.00 O ATOM 0 H SER A 81 8.482 -0.323 7.253 1.00 0.00 H new ATOM 0 HA SER A 81 9.280 -2.848 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.574 -0.843 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.195 -0.047 9.476 1.00 0.00 H new ATOM 0 HG SER A 81 10.636 -0.936 11.062 1.00 0.00 H new ATOM 1293 N LEU A 82 6.536 -1.415 9.407 1.00 0.00 N ATOM 1294 CA LEU A 82 5.322 -1.628 10.179 1.00 0.00 C ATOM 1295 C LEU A 82 4.642 -2.913 9.704 1.00 0.00 C ATOM 1296 O LEU A 82 4.082 -3.657 10.509 1.00 0.00 O ATOM 1297 CB LEU A 82 4.421 -0.393 10.113 1.00 0.00 C ATOM 1298 CG LEU A 82 3.093 -0.491 10.867 1.00 0.00 C ATOM 1299 CD1 LEU A 82 2.866 0.745 11.738 1.00 0.00 C ATOM 1300 CD2 LEU A 82 1.932 -0.735 9.901 1.00 0.00 C ATOM 0 H LEU A 82 6.555 -0.547 8.872 1.00 0.00 H new ATOM 0 HA LEU A 82 5.559 -1.763 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.977 0.459 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.207 -0.180 9.066 1.00 0.00 H new ATOM 0 HG LEU A 82 3.141 -1.351 11.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.916 0.650 12.263 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.675 0.832 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.846 1.635 11.109 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.000 -0.801 10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.871 0.089 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.097 -1.668 9.362 1.00 0.00 H new ATOM 1312 N LEU A 83 4.709 -3.135 8.400 1.00 0.00 N ATOM 1313 CA LEU A 83 4.105 -4.317 7.809 1.00 0.00 C ATOM 1314 C LEU A 83 4.880 -5.559 8.257 1.00 0.00 C ATOM 1315 O LEU A 83 4.314 -6.460 8.872 1.00 0.00 O ATOM 1316 CB LEU A 83 4.008 -4.167 6.290 1.00 0.00 C ATOM 1317 CG LEU A 83 2.660 -3.686 5.748 1.00 0.00 C ATOM 1318 CD1 LEU A 83 2.238 -2.376 6.413 1.00 0.00 C ATOM 1319 CD2 LEU A 83 2.692 -3.572 4.223 1.00 0.00 C ATOM 0 H LEU A 83 5.173 -2.516 7.735 1.00 0.00 H new ATOM 0 HA LEU A 83 3.080 -4.437 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.778 -3.468 5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.238 -5.130 5.834 1.00 0.00 H new ATOM 0 HG LEU A 83 1.905 -4.431 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.277 -2.056 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.148 -2.527 7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.987 -1.610 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.722 -3.228 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.462 -2.859 3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.915 -4.547 3.790 1.00 0.00 H new ATOM 1331 N GLY A 84 6.165 -5.564 7.931 1.00 0.00 N ATOM 1332 CA GLY A 84 7.023 -6.679 8.291 1.00 0.00 C ATOM 1333 C GLY A 84 6.764 -7.128 9.730 1.00 0.00 C ATOM 1334 O GLY A 84 6.729 -8.324 10.017 1.00 0.00 O ATOM 0 H GLY A 84 6.632 -4.814 7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.848 -7.512 7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.068 -6.389 8.179 1.00 0.00 H new ATOM 1338 N LYS A 85 6.591 -6.143 10.601 1.00 0.00 N ATOM 1339 CA LYS A 85 6.336 -6.421 12.004 1.00 0.00 C ATOM 1340 C LYS A 85 4.868 -6.814 12.184 1.00 0.00 C ATOM 1341 O LYS A 85 4.553 -7.717 12.958 1.00 0.00 O ATOM 1342 CB LYS A 85 6.766 -5.236 12.871 1.00 0.00 C ATOM 1343 CG LYS A 85 8.155 -5.472 13.471 1.00 0.00 C ATOM 1344 CD LYS A 85 8.371 -4.602 14.712 1.00 0.00 C ATOM 1345 CE LYS A 85 9.307 -3.432 14.404 1.00 0.00 C ATOM 1346 NZ LYS A 85 10.233 -3.199 15.535 1.00 0.00 N ATOM 0 H LYS A 85 6.623 -5.152 10.361 1.00 0.00 H new ATOM 0 HA LYS A 85 6.936 -7.267 12.340 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.775 -4.326 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.041 -5.084 13.671 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.267 -6.523 13.736 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.919 -5.247 12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.412 -4.222 15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.791 -5.207 15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.875 -3.642 13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.723 -2.532 14.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.862 -2.402 15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.686 -2.978 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.803 -4.053 15.699 1.00 0.00 H new ATOM 1359 N ALA A 86 4.009 -6.115 11.457 1.00 0.00 N ATOM 1360 CA ALA A 86 2.582 -6.379 11.527 1.00 0.00 C ATOM 1361 C ALA A 86 2.306 -7.802 11.037 1.00 0.00 C ATOM 1362 O ALA A 86 1.365 -8.448 11.495 1.00 0.00 O ATOM 1363 CB ALA A 86 1.827 -5.325 10.712 1.00 0.00 C ATOM 0 H ALA A 86 4.274 -5.366 10.817 1.00 0.00 H new ATOM 0 HA ALA A 86 2.229 -6.310 12.556 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.756 -5.523 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.033 -4.335 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.153 -5.366 9.673 1.00 0.00 H new ATOM 1369 N MET A 87 3.144 -8.248 10.113 1.00 0.00 N ATOM 1370 CA MET A 87 3.003 -9.583 9.557 1.00 0.00 C ATOM 1371 C MET A 87 4.186 -10.470 9.952 1.00 0.00 C ATOM 1372 O MET A 87 4.396 -11.529 9.362 1.00 0.00 O ATOM 1373 CB MET A 87 2.918 -9.495 8.033 1.00 0.00 C ATOM 1374 CG MET A 87 2.106 -8.272 7.598 1.00 0.00 C ATOM 1375 SD MET A 87 1.572 -8.462 5.906 1.00 0.00 S ATOM 1376 CE MET A 87 2.857 -7.547 5.072 1.00 0.00 C ATOM 0 H MET A 87 3.923 -7.709 9.735 1.00 0.00 H new ATOM 0 HA MET A 87 2.091 -10.027 9.956 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.922 -9.438 7.612 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.458 -10.401 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.241 -8.150 8.249 1.00 0.00 H new ATOM 0 HG3 MET A 87 2.710 -7.370 7.698 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.848 -7.793 4.010 1.00 0.00 H new ATOM 0 HE2 MET A 87 2.683 -6.478 5.199 1.00 0.00 H new ATOM 0 HE3 MET A 87 3.826 -7.810 5.497 1.00 0.00 H new ATOM 1386 N ARG A 88 4.926 -10.005 10.948 1.00 0.00 N ATOM 1387 CA ARG A 88 6.082 -10.743 11.428 1.00 0.00 C ATOM 1388 C ARG A 88 6.588 -11.700 10.346 1.00 0.00 C ATOM 1389 O ARG A 88 6.249 -12.882 10.351 1.00 0.00 O ATOM 1390 CB ARG A 88 5.741 -11.542 12.687 1.00 0.00 C ATOM 1391 CG ARG A 88 5.670 -10.629 13.913 1.00 0.00 C ATOM 1392 CD ARG A 88 5.478 -11.444 15.194 1.00 0.00 C ATOM 1393 NE ARG A 88 4.211 -11.061 15.855 1.00 0.00 N ATOM 1394 CZ ARG A 88 3.794 -11.557 17.038 1.00 0.00 C ATOM 1395 NH1 ARG A 88 4.542 -12.462 17.703 1.00 0.00 N ATOM 1396 NH2 ARG A 88 2.643 -11.143 17.536 1.00 0.00 N ATOM 0 H ARG A 88 4.748 -9.127 11.435 1.00 0.00 H new ATOM 0 HA ARG A 88 6.860 -10.019 11.670 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.786 -12.050 12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.494 -12.314 12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.585 -10.041 13.986 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.846 -9.925 13.799 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.467 -12.508 14.959 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.316 -11.275 15.871 1.00 0.00 H new ATOM 0 HE ARG A 88 3.615 -10.379 15.386 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.430 -12.776 17.312 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.219 -12.832 18.597 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.084 -10.458 17.027 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.313 -11.508 18.429 1.00 0.00 H new ATOM 1409 N LEU A 89 7.392 -11.153 9.447 1.00 0.00 N ATOM 1410 CA LEU A 89 7.947 -11.943 8.361 1.00 0.00 C ATOM 1411 C LEU A 89 9.469 -11.785 8.348 1.00 0.00 C ATOM 1412 O LEU A 89 10.087 -11.607 9.398 1.00 0.00 O ATOM 1413 CB LEU A 89 7.280 -11.576 7.034 1.00 0.00 C ATOM 1414 CG LEU A 89 6.962 -12.743 6.098 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.126 -13.807 6.812 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.290 -12.250 4.815 1.00 0.00 C ATOM 0 H LEU A 89 7.673 -10.172 9.448 1.00 0.00 H new ATOM 0 HA LEU A 89 7.736 -13.001 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.352 -11.047 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.929 -10.878 6.505 1.00 0.00 H new ATOM 0 HG LEU A 89 7.901 -13.214 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.914 -14.625 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.679 -14.189 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.189 -13.366 7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.075 -13.100 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.360 -11.739 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.956 -11.559 4.298 1.00 0.00 H new ATOM 1428 N ARG A 90 10.029 -11.856 7.150 1.00 0.00 N ATOM 1429 CA ARG A 90 11.467 -11.722 6.988 1.00 0.00 C ATOM 1430 C ARG A 90 11.799 -11.231 5.577 1.00 0.00 C ATOM 1431 O ARG A 90 12.669 -10.379 5.400 1.00 0.00 O ATOM 1432 CB ARG A 90 12.176 -13.055 7.234 1.00 0.00 C ATOM 1433 CG ARG A 90 11.545 -14.174 6.402 1.00 0.00 C ATOM 1434 CD ARG A 90 11.498 -15.484 7.189 1.00 0.00 C ATOM 1435 NE ARG A 90 12.595 -16.376 6.753 1.00 0.00 N ATOM 1436 CZ ARG A 90 12.978 -17.487 7.421 1.00 0.00 C ATOM 1437 NH1 ARG A 90 12.354 -17.849 8.562 1.00 0.00 N ATOM 1438 NH2 ARG A 90 13.971 -18.210 6.940 1.00 0.00 N ATOM 0 H ARG A 90 9.514 -12.004 6.282 1.00 0.00 H new ATOM 0 HA ARG A 90 11.816 -10.996 7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.232 -12.961 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.122 -13.310 8.292 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.536 -13.887 6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.117 -14.317 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.586 -15.280 8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.537 -15.975 7.037 1.00 0.00 H new ATOM 0 HE ARG A 90 13.093 -16.138 5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.588 -17.283 8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.649 -18.689 9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.436 -17.928 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.274 -19.051 7.431 1.00 0.00 H new ATOM 1451 N ILE A 91 11.087 -11.787 4.608 1.00 0.00 N ATOM 1452 CA ILE A 91 11.294 -11.417 3.219 1.00 0.00 C ATOM 1453 C ILE A 91 11.598 -9.919 3.135 1.00 0.00 C ATOM 1454 O ILE A 91 12.374 -9.486 2.286 1.00 0.00 O ATOM 1455 CB ILE A 91 10.101 -11.850 2.365 1.00 0.00 C ATOM 1456 CG1 ILE A 91 8.781 -11.587 3.091 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.238 -13.314 1.937 1.00 0.00 C ATOM 1458 CD1 ILE A 91 7.777 -10.893 2.168 1.00 0.00 C ATOM 0 H ILE A 91 10.365 -12.492 4.758 1.00 0.00 H new ATOM 0 HA ILE A 91 12.157 -11.942 2.810 1.00 0.00 H new ATOM 0 HB ILE A 91 10.094 -11.247 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.363 -12.529 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.962 -10.967 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.378 -13.598 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.150 -13.439 1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.284 -13.949 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.847 -10.717 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.188 -9.940 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.580 -11.526 1.303 1.00 0.00 H new ATOM 1470 N VAL A 92 10.969 -9.170 4.028 1.00 0.00 N ATOM 1471 CA VAL A 92 11.161 -7.731 4.066 1.00 0.00 C ATOM 1472 C VAL A 92 11.626 -7.246 2.691 1.00 0.00 C ATOM 1473 O VAL A 92 12.709 -6.677 2.563 1.00 0.00 O ATOM 1474 CB VAL A 92 12.134 -7.362 5.189 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.434 -5.861 5.184 1.00 0.00 C ATOM 1476 CG2 VAL A 92 11.594 -7.809 6.549 1.00 0.00 C ATOM 0 H VAL A 92 10.326 -9.533 4.731 1.00 0.00 H new ATOM 0 HA VAL A 92 10.221 -7.227 4.289 1.00 0.00 H new ATOM 0 HB VAL A 92 13.070 -7.891 5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.127 -5.626 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 92 12.881 -5.582 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.508 -5.304 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.303 -7.535 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 92 10.638 -7.321 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 92 11.455 -8.890 6.548 1.00 0.00 H new ATOM 1486 N PRO A 93 10.760 -7.496 1.672 1.00 0.00 N ATOM 1487 CA PRO A 93 11.070 -7.092 0.311 1.00 0.00 C ATOM 1488 C PRO A 93 10.898 -5.582 0.134 1.00 0.00 C ATOM 1489 O PRO A 93 10.174 -4.942 0.897 1.00 0.00 O ATOM 1490 CB PRO A 93 10.130 -7.903 -0.565 1.00 0.00 C ATOM 1491 CG PRO A 93 9.017 -8.383 0.352 1.00 0.00 C ATOM 1492 CD PRO A 93 9.469 -8.166 1.787 1.00 0.00 C ATOM 0 HA PRO A 93 12.109 -7.285 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.732 -7.296 -1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.650 -8.745 -1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.096 -7.834 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.804 -9.437 0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.754 -7.556 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.560 -9.112 2.321 1.00 0.00 H new ATOM 1500 N GLU A 94 11.574 -5.054 -0.876 1.00 0.00 N ATOM 1501 CA GLU A 94 11.503 -3.632 -1.162 1.00 0.00 C ATOM 1502 C GLU A 94 10.097 -3.253 -1.632 1.00 0.00 C ATOM 1503 O GLU A 94 9.909 -2.843 -2.776 1.00 0.00 O ATOM 1504 CB GLU A 94 12.553 -3.228 -2.199 1.00 0.00 C ATOM 1505 CG GLU A 94 13.365 -2.024 -1.718 1.00 0.00 C ATOM 1506 CD GLU A 94 14.547 -1.752 -2.650 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.351 -1.267 -3.774 1.00 0.00 O ATOM 1508 OE2 GLU A 94 15.704 -2.060 -2.168 1.00 0.00 O ATOM 0 H GLU A 94 12.174 -5.586 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 94 11.717 -3.087 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.221 -4.068 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.063 -2.987 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.724 -1.144 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.729 -2.207 -0.707 1.00 0.00 H new ATOM 1516 N LEU A 95 9.145 -3.405 -0.722 1.00 0.00 N ATOM 1517 CA LEU A 95 7.760 -3.083 -1.029 1.00 0.00 C ATOM 1518 C LEU A 95 7.616 -1.569 -1.190 1.00 0.00 C ATOM 1519 O LEU A 95 7.378 -0.858 -0.215 1.00 0.00 O ATOM 1520 CB LEU A 95 6.826 -3.681 0.024 1.00 0.00 C ATOM 1521 CG LEU A 95 7.200 -3.412 1.484 1.00 0.00 C ATOM 1522 CD1 LEU A 95 6.187 -2.476 2.145 1.00 0.00 C ATOM 1523 CD2 LEU A 95 7.362 -4.722 2.258 1.00 0.00 C ATOM 0 H LEU A 95 9.304 -3.746 0.226 1.00 0.00 H new ATOM 0 HA LEU A 95 7.465 -3.534 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.821 -3.296 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.784 -4.760 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 95 8.165 -2.906 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.476 -2.301 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.165 -1.527 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.197 -2.932 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.628 -4.503 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.424 -5.277 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.150 -5.320 1.800 1.00 0.00 H new ATOM 1535 N THR A 96 7.766 -1.120 -2.427 1.00 0.00 N ATOM 1536 CA THR A 96 7.656 0.297 -2.728 1.00 0.00 C ATOM 1537 C THR A 96 6.215 0.774 -2.532 1.00 0.00 C ATOM 1538 O THR A 96 5.289 -0.036 -2.503 1.00 0.00 O ATOM 1539 CB THR A 96 8.183 0.522 -4.147 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.240 1.939 -4.276 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.180 0.091 -5.218 1.00 0.00 C ATOM 0 H THR A 96 7.963 -1.713 -3.233 1.00 0.00 H new ATOM 0 HA THR A 96 8.259 0.894 -2.044 1.00 0.00 H new ATOM 0 HB THR A 96 9.115 -0.028 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.573 2.173 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.603 0.272 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.961 -0.971 -5.105 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.260 0.665 -5.107 1.00 0.00 H new ATOM 1549 N PHE A 97 6.072 2.084 -2.404 1.00 0.00 N ATOM 1550 CA PHE A 97 4.759 2.677 -2.212 1.00 0.00 C ATOM 1551 C PHE A 97 4.403 3.608 -3.373 1.00 0.00 C ATOM 1552 O PHE A 97 4.921 4.719 -3.465 1.00 0.00 O ATOM 1553 CB PHE A 97 4.822 3.494 -0.921 1.00 0.00 C ATOM 1554 CG PHE A 97 3.630 3.276 0.013 1.00 0.00 C ATOM 1555 CD1 PHE A 97 3.161 2.019 0.235 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.039 4.339 0.622 1.00 0.00 C ATOM 1557 CE1 PHE A 97 2.054 1.816 1.102 1.00 0.00 C ATOM 1558 CE2 PHE A 97 1.932 4.136 1.489 1.00 0.00 C ATOM 1559 CZ PHE A 97 1.463 2.880 1.710 1.00 0.00 C ATOM 0 H PHE A 97 6.843 2.752 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 97 4.001 1.895 -2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 97 5.739 3.242 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.882 4.552 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.630 1.175 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.411 5.337 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 97 1.682 0.818 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.463 4.980 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.621 2.726 2.368 1.00 0.00 H new ATOM 1569 N PHE A 98 3.520 3.119 -4.233 1.00 0.00 N ATOM 1570 CA PHE A 98 3.089 3.893 -5.384 1.00 0.00 C ATOM 1571 C PHE A 98 1.818 4.684 -5.068 1.00 0.00 C ATOM 1572 O PHE A 98 0.787 4.102 -4.734 1.00 0.00 O ATOM 1573 CB PHE A 98 2.789 2.896 -6.505 1.00 0.00 C ATOM 1574 CG PHE A 98 3.711 3.030 -7.720 1.00 0.00 C ATOM 1575 CD1 PHE A 98 3.694 4.169 -8.464 1.00 0.00 C ATOM 1576 CD2 PHE A 98 4.546 2.011 -8.055 1.00 0.00 C ATOM 1577 CE1 PHE A 98 4.550 4.292 -9.590 1.00 0.00 C ATOM 1578 CE2 PHE A 98 5.402 2.135 -9.181 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.386 3.274 -9.926 1.00 0.00 C ATOM 0 H PHE A 98 3.092 2.196 -4.155 1.00 0.00 H new ATOM 0 HA PHE A 98 3.866 4.603 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.871 1.884 -6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.757 3.029 -6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.030 4.978 -8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.558 1.107 -7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.537 5.196 -10.181 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.066 1.326 -9.446 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.037 3.369 -10.783 1.00 0.00 H new ATOM 1589 N TYR A 99 1.934 5.998 -5.184 1.00 0.00 N ATOM 1590 CA TYR A 99 0.807 6.876 -4.914 1.00 0.00 C ATOM 1591 C TYR A 99 0.158 7.351 -6.216 1.00 0.00 C ATOM 1592 O TYR A 99 0.578 8.351 -6.795 1.00 0.00 O ATOM 1593 CB TYR A 99 1.382 8.086 -4.174 1.00 0.00 C ATOM 1594 CG TYR A 99 2.769 7.847 -3.574 1.00 0.00 C ATOM 1595 CD1 TYR A 99 2.890 7.346 -2.295 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.899 8.133 -4.314 1.00 0.00 C ATOM 1597 CE1 TYR A 99 4.196 7.122 -1.730 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.205 7.908 -3.749 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.288 7.414 -2.485 1.00 0.00 C ATOM 1600 OH TYR A 99 6.521 7.202 -1.952 1.00 0.00 O ATOM 0 H TYR A 99 2.791 6.477 -5.461 1.00 0.00 H new ATOM 0 HA TYR A 99 0.045 6.355 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.436 8.929 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.696 8.370 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.006 7.122 -1.717 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.804 8.525 -5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.305 6.731 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.098 8.127 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 99 7.207 7.454 -2.605 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.856 6.609 -6.639 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.567 6.942 -7.861 1.00 0.00 C ATOM 1612 C ASP A 100 -2.847 7.702 -7.510 1.00 0.00 C ATOM 1613 O ASP A 100 -3.907 7.102 -7.349 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.965 5.678 -8.628 1.00 0.00 C ATOM 1615 CG ASP A 100 -2.014 5.833 -10.149 1.00 0.00 C ATOM 1616 OD1 ASP A 100 -2.875 5.249 -10.822 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -1.106 6.600 -10.648 1.00 0.00 O ATOM 0 H ASP A 100 -1.201 5.779 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.907 7.549 -8.481 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -1.260 4.884 -8.381 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.945 5.353 -8.279 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.706 9.016 -7.404 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.836 9.867 -7.077 1.00 0.00 C ATOM 1625 C ASN A 101 -4.447 10.416 -8.367 1.00 0.00 C ATOM 1626 O ASN A 101 -4.055 10.018 -9.462 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.400 11.056 -6.216 1.00 0.00 C ATOM 1628 CG ASN A 101 -2.184 10.696 -5.361 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -2.075 9.610 -4.817 1.00 0.00 O ATOM 1630 ND2 ASN A 101 -1.278 11.666 -5.273 1.00 0.00 N ATOM 0 H ASN A 101 -1.825 9.511 -7.539 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.560 9.268 -6.524 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.160 11.905 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.223 11.365 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.430 11.523 -4.725 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -1.431 12.552 -5.754 1.00 0.00 H new ATOM 1637 N SER A 102 -5.398 11.322 -8.196 1.00 0.00 N ATOM 1638 CA SER A 102 -6.068 11.930 -9.333 1.00 0.00 C ATOM 1639 C SER A 102 -5.281 13.153 -9.810 1.00 0.00 C ATOM 1640 O SER A 102 -5.805 13.979 -10.555 1.00 0.00 O ATOM 1641 CB SER A 102 -7.502 12.327 -8.979 1.00 0.00 C ATOM 1642 OG SER A 102 -7.815 12.047 -7.617 1.00 0.00 O ATOM 0 H SER A 102 -5.721 11.650 -7.286 1.00 0.00 H new ATOM 0 HA SER A 102 -6.111 11.196 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.641 13.391 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.196 11.792 -9.627 1.00 0.00 H new ATOM 0 HG SER A 102 -8.739 12.317 -7.431 1.00 0.00 H new ATOM 1648 N LEU A 103 -4.036 13.227 -9.363 1.00 0.00 N ATOM 1649 CA LEU A 103 -3.172 14.334 -9.736 1.00 0.00 C ATOM 1650 C LEU A 103 -2.256 13.898 -10.881 1.00 0.00 C ATOM 1651 O LEU A 103 -1.411 14.669 -11.333 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.419 14.860 -8.513 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.554 16.103 -8.741 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.221 17.349 -8.156 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.141 15.897 -8.192 1.00 0.00 C ATOM 0 H LEU A 103 -3.605 12.538 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.764 15.172 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.146 15.086 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.781 14.062 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.461 16.262 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.586 18.218 -8.331 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.188 17.503 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.365 17.215 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.452 16.795 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.192 15.699 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.325 15.050 -8.696 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.457 12.663 -11.319 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.660 12.114 -12.403 1.00 0.00 C ATOM 1669 C VAL A 104 -2.579 11.393 -13.392 1.00 0.00 C ATOM 1670 O VAL A 104 -2.106 10.745 -14.324 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.561 11.211 -11.841 1.00 0.00 C ATOM 1672 CG1 VAL A 104 -0.184 10.117 -12.841 1.00 0.00 C ATOM 1673 CG2 VAL A 104 0.666 12.029 -11.434 1.00 0.00 C ATOM 0 H VAL A 104 -3.160 12.027 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.157 12.913 -12.949 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.952 10.726 -10.947 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.599 9.490 -12.416 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.060 9.506 -13.059 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.178 10.575 -13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.432 11.363 -11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.058 12.555 -12.305 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.384 12.753 -10.669 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.874 11.531 -13.153 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.864 10.901 -14.011 1.00 0.00 C ATOM 1685 C GLU A 105 -6.184 11.672 -13.954 1.00 0.00 C ATOM 1686 O GLU A 105 -6.845 11.854 -14.977 1.00 0.00 O ATOM 1687 CB GLU A 105 -5.069 9.434 -13.625 1.00 0.00 C ATOM 1688 CG GLU A 105 -4.330 8.505 -14.590 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.185 7.779 -13.882 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -3.373 7.259 -12.771 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.067 7.761 -14.526 1.00 0.00 O ATOM 0 H GLU A 105 -4.261 12.069 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 105 -4.496 10.925 -15.037 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.711 9.268 -12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.133 9.198 -13.631 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.027 7.776 -15.004 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.937 9.082 -15.427 1.00 0.00 H new ATOM 1699 N GLY A 106 -6.528 12.106 -12.751 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.758 12.854 -12.550 1.00 0.00 C ATOM 1701 C GLY A 106 -8.929 11.915 -12.255 1.00 0.00 C ATOM 1702 O GLY A 106 -9.940 12.334 -11.694 1.00 0.00 O ATOM 0 H GLY A 106 -5.977 11.954 -11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.631 13.554 -11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.977 13.446 -13.439 1.00 0.00 H new ATOM 1706 N MET A 107 -8.754 10.662 -12.647 1.00 0.00 N ATOM 1707 CA MET A 107 -9.785 9.659 -12.433 1.00 0.00 C ATOM 1708 C MET A 107 -9.429 8.751 -11.257 1.00 0.00 C ATOM 1709 O MET A 107 -9.997 7.670 -11.107 1.00 0.00 O ATOM 1710 CB MET A 107 -9.947 8.815 -13.699 1.00 0.00 C ATOM 1711 CG MET A 107 -10.104 9.704 -14.934 1.00 0.00 C ATOM 1712 SD MET A 107 -9.174 9.025 -16.298 1.00 0.00 S ATOM 1713 CE MET A 107 -7.542 8.997 -15.577 1.00 0.00 C ATOM 0 H MET A 107 -7.914 10.318 -13.112 1.00 0.00 H new ATOM 0 HA MET A 107 -10.720 10.169 -12.204 1.00 0.00 H new ATOM 0 HB2 MET A 107 -9.080 8.166 -13.821 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.818 8.167 -13.600 1.00 0.00 H new ATOM 0 HG2 MET A 107 -11.157 9.782 -15.204 1.00 0.00 H new ATOM 0 HG3 MET A 107 -9.756 10.713 -14.712 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.866 9.602 -16.182 1.00 0.00 H new ATOM 0 HE2 MET A 107 -7.584 9.402 -14.566 1.00 0.00 H new ATOM 0 HE3 MET A 107 -7.177 7.970 -15.542 1.00 0.00 H new ATOM 1723 N ARG A 108 -8.490 9.222 -10.447 1.00 0.00 N ATOM 1724 CA ARG A 108 -8.052 8.465 -9.288 1.00 0.00 C ATOM 1725 C ARG A 108 -8.608 9.089 -8.006 1.00 0.00 C ATOM 1726 O ARG A 108 -9.355 8.445 -7.271 1.00 0.00 O ATOM 1727 CB ARG A 108 -6.526 8.421 -9.204 1.00 0.00 C ATOM 1728 CG ARG A 108 -5.969 7.208 -9.953 1.00 0.00 C ATOM 1729 CD ARG A 108 -6.660 5.921 -9.501 1.00 0.00 C ATOM 1730 NE ARG A 108 -5.773 4.759 -9.745 1.00 0.00 N ATOM 1731 CZ ARG A 108 -6.216 3.505 -9.971 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -7.540 3.238 -9.987 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -5.337 2.543 -10.178 1.00 0.00 N ATOM 0 H ARG A 108 -8.021 10.119 -10.572 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.428 7.448 -9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.109 9.336 -9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.217 8.381 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.109 7.343 -11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.896 7.130 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.908 5.984 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.598 5.793 -10.041 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.765 4.917 -9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.213 3.987 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.866 2.287 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.339 2.753 -10.166 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.656 1.589 -10.350 1.00 0.00 H new