USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 699 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0429 (180deg=-0.297) USER MOD Single : A 20 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.79) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 29 ASN : amide:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 40:sc= 0.573 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.485 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0748 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.39! X(o=-2.4!,f=-1.9) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.258 (180deg=0.0871) USER MOD Single : A 81 HIS : no HD1:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.6!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 MET CE :methyl -158:sc= -0.227 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.477 -0.994 12.887 1.00 0.00 N ATOM 105 CA VAL A 11 -0.509 -1.895 11.741 1.00 0.00 C ATOM 106 C VAL A 11 -1.909 -1.975 11.143 1.00 0.00 C ATOM 107 O VAL A 11 -2.898 -2.118 11.863 1.00 0.00 O ATOM 108 CB VAL A 11 -0.048 -3.313 12.129 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.195 -4.264 10.952 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.389 -3.287 12.627 1.00 0.00 C ATOM 0 HA VAL A 11 0.177 -1.487 10.999 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.683 -3.674 12.938 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.136 -5.260 11.246 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.240 -4.304 10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.414 -3.910 10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.699 -4.297 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.040 -2.906 11.840 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.459 -2.640 13.501 1.00 0.00 H new ATOM 120 N THR A 12 -1.988 -1.880 9.819 1.00 0.00 N ATOM 121 CA THR A 12 -3.267 -1.940 9.123 1.00 0.00 C ATOM 122 C THR A 12 -3.681 -3.383 8.859 1.00 0.00 C ATOM 123 O THR A 12 -4.772 -3.807 9.242 1.00 0.00 O ATOM 124 CB THR A 12 -3.214 -1.180 7.784 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.681 0.133 7.987 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.599 -1.081 7.163 1.00 0.00 C ATOM 0 H THR A 12 -1.180 -1.761 9.207 1.00 0.00 H new ATOM 0 HA THR A 12 -4.003 -1.466 9.772 1.00 0.00 H new ATOM 0 HB THR A 12 -2.567 -1.733 7.103 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.649 0.609 7.131 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.536 -0.540 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.989 -2.083 6.983 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.265 -0.549 7.842 1.00 0.00 H new ATOM 134 N LYS A 13 -2.805 -4.135 8.202 1.00 0.00 N ATOM 135 CA LYS A 13 -3.078 -5.533 7.888 1.00 0.00 C ATOM 136 C LYS A 13 -1.787 -6.343 7.844 1.00 0.00 C ATOM 137 O LYS A 13 -0.750 -5.852 7.400 1.00 0.00 O ATOM 138 CB LYS A 13 -3.808 -5.642 6.548 1.00 0.00 C ATOM 139 CG LYS A 13 -4.409 -7.013 6.292 1.00 0.00 C ATOM 140 CD LYS A 13 -5.492 -6.958 5.228 1.00 0.00 C ATOM 141 CE LYS A 13 -5.877 -8.351 4.752 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.720 -9.065 5.751 1.00 0.00 N ATOM 0 H LYS A 13 -1.899 -3.800 7.876 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.713 -5.939 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.601 -4.895 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.111 -5.404 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.625 -7.702 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.828 -7.406 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.371 -6.453 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.142 -6.367 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.417 -8.276 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.975 -8.931 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.961 -10.010 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.195 -9.159 6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.593 -8.525 5.918 1.00 0.00 H new ATOM 156 N ALA A 14 -1.859 -7.588 8.305 1.00 0.00 N ATOM 157 CA ALA A 14 -0.696 -8.467 8.315 1.00 0.00 C ATOM 158 C ALA A 14 -1.092 -9.904 7.994 1.00 0.00 C ATOM 159 O ALA A 14 -1.993 -10.464 8.618 1.00 0.00 O ATOM 160 CB ALA A 14 0.006 -8.399 9.663 1.00 0.00 C ATOM 0 H ALA A 14 -2.710 -8.010 8.676 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.007 -8.126 7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.872 -9.060 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.332 -7.376 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.683 -8.712 10.448 1.00 0.00 H new ATOM 166 N GLY A 15 -0.414 -10.496 7.016 1.00 0.00 N ATOM 167 CA GLY A 15 -0.710 -11.863 6.629 1.00 0.00 C ATOM 168 C GLY A 15 0.345 -12.448 5.712 1.00 0.00 C ATOM 169 O GLY A 15 1.105 -11.713 5.081 1.00 0.00 O ATOM 0 H GLY A 15 0.335 -10.053 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.792 -12.481 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.678 -11.894 6.130 1.00 0.00 H new ATOM 173 N TRP A 16 0.394 -13.773 5.639 1.00 0.00 N ATOM 174 CA TRP A 16 1.366 -14.457 4.794 1.00 0.00 C ATOM 175 C TRP A 16 0.971 -14.362 3.324 1.00 0.00 C ATOM 176 O TRP A 16 -0.095 -14.832 2.926 1.00 0.00 O ATOM 177 CB TRP A 16 1.491 -15.924 5.207 1.00 0.00 C ATOM 178 CG TRP A 16 2.283 -16.122 6.464 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.796 -16.193 7.738 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.704 -16.271 6.567 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.828 -16.378 8.626 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.008 -16.430 7.933 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.748 -16.288 5.638 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.312 -16.602 8.390 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.041 -16.458 6.093 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.314 -16.614 7.458 1.00 0.00 C ATOM 0 H TRP A 16 -0.228 -14.395 6.155 1.00 0.00 H new ATOM 0 HA TRP A 16 2.331 -13.967 4.925 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.494 -16.341 5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.961 -16.483 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.753 -16.115 8.008 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.731 -16.463 9.638 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.547 -16.170 4.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.525 -16.722 9.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.856 -16.471 5.384 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.336 -16.746 7.781 1.00 0.00 H new ATOM 197 N LEU A 17 1.837 -13.752 2.522 1.00 0.00 N ATOM 198 CA LEU A 17 1.578 -13.596 1.094 1.00 0.00 C ATOM 199 C LEU A 17 2.773 -14.062 0.270 1.00 0.00 C ATOM 200 O LEU A 17 3.924 -13.837 0.644 1.00 0.00 O ATOM 201 CB LEU A 17 1.259 -12.136 0.771 1.00 0.00 C ATOM 202 CG LEU A 17 -0.172 -11.680 1.062 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.276 -10.165 0.983 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.147 -12.335 0.094 1.00 0.00 C ATOM 0 H LEU A 17 2.724 -13.358 2.835 1.00 0.00 H new ATOM 0 HA LEU A 17 0.719 -14.215 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.943 -11.502 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.465 -11.965 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.433 -11.989 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.301 -9.859 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.394 -9.716 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.004 -9.833 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.160 -11.999 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.888 -12.057 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.092 -13.418 0.200 1.00 0.00 H new ATOM 216 N PHE A 18 2.493 -14.711 -0.855 1.00 0.00 N ATOM 217 CA PHE A 18 3.545 -15.208 -1.734 1.00 0.00 C ATOM 218 C PHE A 18 3.988 -14.128 -2.717 1.00 0.00 C ATOM 219 O PHE A 18 3.180 -13.595 -3.477 1.00 0.00 O ATOM 220 CB PHE A 18 3.060 -16.442 -2.499 1.00 0.00 C ATOM 221 CG PHE A 18 3.169 -17.716 -1.712 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.557 -17.836 -0.474 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.882 -18.795 -2.210 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.657 -19.008 0.252 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.985 -19.969 -1.488 1.00 0.00 C ATOM 226 CZ PHE A 18 3.370 -20.076 -0.256 1.00 0.00 C ATOM 0 H PHE A 18 1.546 -14.905 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 18 4.399 -15.485 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.021 -16.293 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.639 -16.541 -3.417 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.996 -17.005 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.363 -18.718 -3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.178 -19.088 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.546 -20.802 -1.887 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.447 -20.993 0.309 1.00 0.00 H new ATOM 236 N LYS A 19 5.278 -13.810 -2.695 1.00 0.00 N ATOM 237 CA LYS A 19 5.831 -12.795 -3.583 1.00 0.00 C ATOM 238 C LYS A 19 6.512 -13.438 -4.787 1.00 0.00 C ATOM 239 O LYS A 19 7.370 -14.307 -4.635 1.00 0.00 O ATOM 240 CB LYS A 19 6.831 -11.917 -2.827 1.00 0.00 C ATOM 241 CG LYS A 19 7.026 -10.545 -3.448 1.00 0.00 C ATOM 242 CD LYS A 19 8.289 -9.875 -2.934 1.00 0.00 C ATOM 243 CE LYS A 19 8.701 -8.708 -3.819 1.00 0.00 C ATOM 244 NZ LYS A 19 9.187 -9.165 -5.150 1.00 0.00 N ATOM 0 H LYS A 19 5.960 -14.241 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 19 5.009 -12.174 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.491 -11.796 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.793 -12.428 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.079 -10.640 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.163 -9.917 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.126 -9.521 -1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.098 -10.604 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.853 -8.037 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.485 -8.136 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.732 -8.403 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.794 -10.001 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.374 -9.411 -5.751 1.00 0.00 H new ATOM 258 N GLN A 20 6.124 -13.004 -5.982 1.00 0.00 N ATOM 259 CA GLN A 20 6.699 -13.538 -7.211 1.00 0.00 C ATOM 260 C GLN A 20 8.126 -13.038 -7.407 1.00 0.00 C ATOM 261 O GLN A 20 8.432 -11.880 -7.126 1.00 0.00 O ATOM 262 CB GLN A 20 5.838 -13.145 -8.414 1.00 0.00 C ATOM 263 CG GLN A 20 6.092 -13.996 -9.647 1.00 0.00 C ATOM 264 CD GLN A 20 5.501 -13.391 -10.905 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.548 -12.176 -11.106 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.940 -14.236 -11.762 1.00 0.00 N ATOM 0 H GLN A 20 5.415 -12.285 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 20 6.723 -14.625 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.786 -13.224 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.026 -12.100 -8.659 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.166 -14.125 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.669 -14.989 -9.492 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.923 -15.235 -11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.526 -13.886 -12.626 1.00 0.00 H new ATOM 275 N ALA A 21 8.995 -13.920 -7.890 1.00 0.00 N ATOM 276 CA ALA A 21 10.390 -13.567 -8.125 1.00 0.00 C ATOM 277 C ALA A 21 10.589 -13.022 -9.535 1.00 0.00 C ATOM 278 O ALA A 21 10.738 -13.785 -10.490 1.00 0.00 O ATOM 279 CB ALA A 21 11.286 -14.775 -7.892 1.00 0.00 C ATOM 0 H ALA A 21 8.758 -14.884 -8.126 1.00 0.00 H new ATOM 0 HA ALA A 21 10.665 -12.783 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.325 -14.497 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.174 -15.118 -6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.002 -15.576 -8.575 1.00 0.00 H new ATOM 352 N GLN A 27 9.524 -17.932 -9.989 1.00 0.00 N ATOM 353 CA GLN A 27 8.770 -18.714 -9.016 1.00 0.00 C ATOM 354 C GLN A 27 8.265 -17.830 -7.881 1.00 0.00 C ATOM 355 O GLN A 27 8.502 -16.623 -7.869 1.00 0.00 O ATOM 356 CB GLN A 27 9.639 -19.841 -8.453 1.00 0.00 C ATOM 357 CG GLN A 27 10.778 -19.350 -7.575 1.00 0.00 C ATOM 358 CD GLN A 27 11.515 -20.483 -6.887 1.00 0.00 C ATOM 359 OE1 GLN A 27 10.899 -21.370 -6.296 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.840 -20.459 -6.961 1.00 0.00 N ATOM 0 HA GLN A 27 7.909 -19.148 -9.525 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.011 -20.518 -7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.052 -20.418 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.481 -18.781 -8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.383 -18.668 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.309 -19.704 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.389 -21.195 -6.517 1.00 0.00 H new ATOM 369 N TRP A 28 7.568 -18.440 -6.928 1.00 0.00 N ATOM 370 CA TRP A 28 7.029 -17.708 -5.788 1.00 0.00 C ATOM 371 C TRP A 28 7.722 -18.125 -4.496 1.00 0.00 C ATOM 372 O TRP A 28 8.084 -19.288 -4.323 1.00 0.00 O ATOM 373 CB TRP A 28 5.522 -17.942 -5.672 1.00 0.00 C ATOM 374 CG TRP A 28 4.761 -17.530 -6.895 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.793 -18.130 -8.122 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.856 -16.426 -7.010 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.963 -17.466 -8.992 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.376 -16.417 -8.335 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.404 -15.446 -6.123 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.467 -15.466 -8.790 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.502 -14.502 -6.577 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.041 -14.517 -7.900 1.00 0.00 C ATOM 0 H TRP A 28 7.363 -19.439 -6.923 1.00 0.00 H new ATOM 0 HA TRP A 28 7.213 -16.646 -5.950 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.340 -18.999 -5.478 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.141 -17.390 -4.813 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.384 -18.999 -8.371 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.809 -17.714 -9.969 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.753 -15.426 -5.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.110 -15.476 -9.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.146 -13.739 -5.900 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.336 -13.766 -8.224 1.00 0.00 H new ATOM 393 N ASN A 29 7.904 -17.168 -3.591 1.00 0.00 N ATOM 394 CA ASN A 29 8.554 -17.438 -2.314 1.00 0.00 C ATOM 395 C ASN A 29 7.747 -16.854 -1.159 1.00 0.00 C ATOM 396 O ASN A 29 7.702 -15.638 -0.970 1.00 0.00 O ATOM 397 CB ASN A 29 9.970 -16.858 -2.307 1.00 0.00 C ATOM 398 CG ASN A 29 10.885 -17.554 -3.296 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.642 -18.453 -2.931 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.819 -17.139 -4.556 1.00 0.00 N ATOM 0 H ASN A 29 7.611 -16.199 -3.719 1.00 0.00 H new ATOM 0 HA ASN A 29 8.610 -18.519 -2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.925 -15.795 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.390 -16.944 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.411 -17.569 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.176 -16.390 -4.813 1.00 0.00 H new ATOM 407 N LYS A 30 7.112 -17.728 -0.386 1.00 0.00 N ATOM 408 CA LYS A 30 6.307 -17.302 0.753 1.00 0.00 C ATOM 409 C LYS A 30 7.052 -16.263 1.586 1.00 0.00 C ATOM 410 O LYS A 30 8.246 -16.406 1.851 1.00 0.00 O ATOM 411 CB LYS A 30 5.943 -18.505 1.625 1.00 0.00 C ATOM 412 CG LYS A 30 4.965 -18.174 2.740 1.00 0.00 C ATOM 413 CD LYS A 30 4.383 -19.431 3.362 1.00 0.00 C ATOM 414 CE LYS A 30 3.476 -19.103 4.538 1.00 0.00 C ATOM 415 NZ LYS A 30 2.916 -20.331 5.167 1.00 0.00 N ATOM 0 H LYS A 30 7.139 -18.738 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 30 5.392 -16.849 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.513 -19.283 0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.853 -18.916 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.471 -17.588 3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.159 -17.555 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.820 -19.983 2.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.192 -20.081 3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.037 -18.537 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.660 -18.464 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.304 -20.064 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.360 -20.858 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.693 -20.929 5.513 1.00 0.00 H new ATOM 429 N ARG A 31 6.339 -15.219 1.997 1.00 0.00 N ATOM 430 CA ARG A 31 6.933 -14.157 2.800 1.00 0.00 C ATOM 431 C ARG A 31 5.870 -13.444 3.630 1.00 0.00 C ATOM 432 O ARG A 31 4.715 -13.338 3.218 1.00 0.00 O ATOM 433 CB ARG A 31 7.654 -13.151 1.901 1.00 0.00 C ATOM 434 CG ARG A 31 8.821 -12.454 2.581 1.00 0.00 C ATOM 435 CD ARG A 31 9.999 -13.397 2.769 1.00 0.00 C ATOM 436 NE ARG A 31 10.867 -13.430 1.594 1.00 0.00 N ATOM 437 CZ ARG A 31 12.041 -14.051 1.565 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.485 -14.688 2.640 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.773 -14.036 0.459 1.00 0.00 N ATOM 0 H ARG A 31 5.350 -15.086 1.787 1.00 0.00 H new ATOM 0 HA ARG A 31 7.656 -14.610 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.018 -13.666 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.939 -12.400 1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.132 -11.596 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.502 -12.070 3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.578 -13.085 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.630 -14.402 2.975 1.00 0.00 H new ATOM 0 HE ARG A 31 10.554 -12.950 0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.925 -14.702 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.387 -15.164 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.435 -13.547 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.674 -14.513 0.437 1.00 0.00 H new ATOM 453 N TRP A 32 6.268 -12.958 4.800 1.00 0.00 N ATOM 454 CA TRP A 32 5.349 -12.256 5.688 1.00 0.00 C ATOM 455 C TRP A 32 5.172 -10.805 5.252 1.00 0.00 C ATOM 456 O TRP A 32 6.141 -10.049 5.171 1.00 0.00 O ATOM 457 CB TRP A 32 5.858 -12.310 7.129 1.00 0.00 C ATOM 458 CG TRP A 32 4.927 -11.669 8.113 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.180 -10.574 8.889 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.593 -12.086 8.428 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.085 -10.285 9.667 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.098 -11.197 9.402 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.769 -13.121 7.980 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.817 -11.315 9.934 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.498 -13.238 8.510 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.032 -12.338 9.478 1.00 0.00 C ATOM 0 H TRP A 32 7.221 -13.037 5.156 1.00 0.00 H new ATOM 0 HA TRP A 32 4.380 -12.753 5.634 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.014 -13.351 7.413 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.828 -11.816 7.183 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.105 -10.017 8.891 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.018 -9.516 10.334 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.119 -13.818 7.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.456 -10.623 10.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.853 -14.036 8.173 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.033 -12.455 9.872 1.00 0.00 H new ATOM 477 N PHE A 33 3.931 -10.422 4.973 1.00 0.00 N ATOM 478 CA PHE A 33 3.629 -9.062 4.545 1.00 0.00 C ATOM 479 C PHE A 33 2.779 -8.340 5.587 1.00 0.00 C ATOM 480 O PHE A 33 1.828 -8.904 6.128 1.00 0.00 O ATOM 481 CB PHE A 33 2.901 -9.078 3.199 1.00 0.00 C ATOM 482 CG PHE A 33 3.816 -9.283 2.026 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.228 -10.556 1.665 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.266 -8.202 1.284 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.069 -10.748 0.586 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.107 -8.389 0.203 1.00 0.00 C ATOM 487 CZ PHE A 33 5.510 -9.663 -0.145 1.00 0.00 C ATOM 0 H PHE A 33 3.118 -11.035 5.036 1.00 0.00 H new ATOM 0 HA PHE A 33 4.571 -8.525 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.153 -9.871 3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.366 -8.136 3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.887 -11.408 2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.956 -7.203 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.381 -11.746 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.449 -7.539 -0.369 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.169 -9.810 -0.988 1.00 0.00 H new ATOM 497 N VAL A 34 3.128 -7.087 5.863 1.00 0.00 N ATOM 498 CA VAL A 34 2.399 -6.287 6.838 1.00 0.00 C ATOM 499 C VAL A 34 2.111 -4.890 6.299 1.00 0.00 C ATOM 500 O VAL A 34 2.965 -4.005 6.349 1.00 0.00 O ATOM 501 CB VAL A 34 3.180 -6.164 8.160 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.423 -5.288 9.148 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.447 -7.540 8.751 1.00 0.00 C ATOM 0 H VAL A 34 3.912 -6.605 5.424 1.00 0.00 H new ATOM 0 HA VAL A 34 1.457 -6.801 7.027 1.00 0.00 H new ATOM 0 HB VAL A 34 4.140 -5.691 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.990 -5.213 10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.288 -4.293 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.448 -5.730 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.000 -7.434 9.685 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.500 -8.043 8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.033 -8.131 8.047 1.00 0.00 H new ATOM 513 N LEU A 35 0.902 -4.699 5.783 1.00 0.00 N ATOM 514 CA LEU A 35 0.499 -3.409 5.233 1.00 0.00 C ATOM 515 C LEU A 35 0.609 -2.311 6.286 1.00 0.00 C ATOM 516 O LEU A 35 0.144 -2.470 7.415 1.00 0.00 O ATOM 517 CB LEU A 35 -0.934 -3.483 4.703 1.00 0.00 C ATOM 518 CG LEU A 35 -1.595 -2.145 4.368 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.784 -1.396 3.323 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.021 -2.362 3.885 1.00 0.00 C ATOM 0 H LEU A 35 0.183 -5.421 5.734 1.00 0.00 H new ATOM 0 HA LEU A 35 1.171 -3.166 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.937 -4.102 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.549 -3.994 5.444 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.628 -1.540 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.270 -0.447 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.219 -1.208 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.719 -1.995 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.476 -1.400 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.011 -2.986 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.598 -2.856 4.666 1.00 0.00 H new ATOM 532 N VAL A 36 1.225 -1.195 5.909 1.00 0.00 N ATOM 533 CA VAL A 36 1.392 -0.069 6.819 1.00 0.00 C ATOM 534 C VAL A 36 0.799 1.206 6.230 1.00 0.00 C ATOM 535 O VAL A 36 0.211 1.188 5.149 1.00 0.00 O ATOM 536 CB VAL A 36 2.878 0.173 7.146 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.518 1.066 6.094 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.026 0.779 8.533 1.00 0.00 C ATOM 0 H VAL A 36 1.617 -1.047 4.979 1.00 0.00 H new ATOM 0 HA VAL A 36 0.862 -0.323 7.737 1.00 0.00 H new ATOM 0 HB VAL A 36 3.395 -0.787 7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.567 1.226 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.445 0.588 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.001 2.025 6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.082 0.943 8.748 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.495 1.730 8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.607 0.098 9.274 1.00 0.00 H new ATOM 548 N ASP A 37 0.957 2.312 6.949 1.00 0.00 N ATOM 549 CA ASP A 37 0.438 3.598 6.498 1.00 0.00 C ATOM 550 C ASP A 37 0.970 3.942 5.110 1.00 0.00 C ATOM 551 O ASP A 37 2.170 4.145 4.927 1.00 0.00 O ATOM 552 CB ASP A 37 0.815 4.701 7.489 1.00 0.00 C ATOM 553 CG ASP A 37 -0.220 4.873 8.583 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.320 5.384 8.285 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.070 4.498 9.739 1.00 0.00 O ATOM 0 H ASP A 37 1.440 2.344 7.847 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.648 3.524 6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.780 4.467 7.939 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.933 5.643 6.953 1.00 0.00 H new ATOM 560 N ARG A 38 0.069 4.004 4.135 1.00 0.00 N ATOM 561 CA ARG A 38 0.447 4.320 2.763 1.00 0.00 C ATOM 562 C ARG A 38 1.753 3.627 2.386 1.00 0.00 C ATOM 563 O ARG A 38 2.590 4.197 1.685 1.00 0.00 O ATOM 564 CB ARG A 38 0.592 5.833 2.587 1.00 0.00 C ATOM 565 CG ARG A 38 -0.706 6.529 2.213 1.00 0.00 C ATOM 566 CD ARG A 38 -0.450 7.774 1.378 1.00 0.00 C ATOM 567 NE ARG A 38 -0.119 8.930 2.207 1.00 0.00 N ATOM 568 CZ ARG A 38 -0.294 10.188 1.818 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.793 10.451 0.618 1.00 0.00 N ATOM 570 NH2 ARG A 38 0.031 11.187 2.629 1.00 0.00 N ATOM 0 H ARG A 38 -0.929 3.839 4.270 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.341 3.958 2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.971 6.263 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.336 6.031 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.342 5.841 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.248 6.802 3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.366 7.582 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.334 7.998 0.780 1.00 0.00 H new ATOM 0 HE ARG A 38 0.268 8.762 3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.044 9.686 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.926 11.418 0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.416 10.989 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.104 12.152 2.329 1.00 0.00 H new ATOM 584 N CYS A 39 1.920 2.396 2.856 1.00 0.00 N ATOM 585 CA CYS A 39 3.125 1.625 2.569 1.00 0.00 C ATOM 586 C CYS A 39 2.927 0.155 2.924 1.00 0.00 C ATOM 587 O CYS A 39 1.887 -0.231 3.461 1.00 0.00 O ATOM 588 CB CYS A 39 4.315 2.193 3.343 1.00 0.00 C ATOM 589 SG CYS A 39 5.218 3.488 2.462 1.00 0.00 S ATOM 0 H CYS A 39 1.237 1.910 3.437 1.00 0.00 H new ATOM 0 HA CYS A 39 3.328 1.698 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.959 2.594 4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.003 1.381 3.578 1.00 0.00 H new ATOM 0 HG CYS A 39 4.375 4.267 1.852 1.00 0.00 H new ATOM 595 N LEU A 40 3.929 -0.662 2.620 1.00 0.00 N ATOM 596 CA LEU A 40 3.865 -2.091 2.905 1.00 0.00 C ATOM 597 C LEU A 40 5.258 -2.660 3.155 1.00 0.00 C ATOM 598 O LEU A 40 6.168 -2.480 2.345 1.00 0.00 O ATOM 599 CB LEU A 40 3.199 -2.834 1.745 1.00 0.00 C ATOM 600 CG LEU A 40 3.324 -4.358 1.764 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.685 -4.930 3.020 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.690 -4.960 0.519 1.00 0.00 C ATOM 0 H LEU A 40 4.796 -0.359 2.176 1.00 0.00 H new ATOM 0 HA LEU A 40 3.269 -2.229 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.140 -2.576 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.625 -2.466 0.812 1.00 0.00 H new ATOM 0 HG LEU A 40 4.383 -4.617 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.783 -6.016 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.184 -4.523 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.629 -4.662 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.788 -6.045 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.634 -4.692 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.193 -4.575 -0.368 1.00 0.00 H new ATOM 614 N PHE A 41 5.418 -3.348 4.280 1.00 0.00 N ATOM 615 CA PHE A 41 6.700 -3.945 4.636 1.00 0.00 C ATOM 616 C PHE A 41 6.585 -5.463 4.736 1.00 0.00 C ATOM 617 O PHE A 41 5.506 -5.999 4.991 1.00 0.00 O ATOM 618 CB PHE A 41 7.202 -3.372 5.964 1.00 0.00 C ATOM 619 CG PHE A 41 7.477 -1.896 5.914 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.588 -1.407 5.245 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.625 -0.998 6.536 1.00 0.00 C ATOM 622 CE1 PHE A 41 8.844 -0.050 5.198 1.00 0.00 C ATOM 623 CE2 PHE A 41 6.876 0.361 6.492 1.00 0.00 C ATOM 624 CZ PHE A 41 7.986 0.835 5.822 1.00 0.00 C ATOM 0 H PHE A 41 4.676 -3.506 4.961 1.00 0.00 H new ATOM 0 HA PHE A 41 7.415 -3.704 3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.461 -3.569 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.114 -3.894 6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.261 -2.095 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.755 -1.364 7.061 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.714 0.318 4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.204 1.051 6.981 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.183 1.896 5.786 1.00 0.00 H new ATOM 634 N TYR A 42 7.704 -6.149 4.532 1.00 0.00 N ATOM 635 CA TYR A 42 7.729 -7.606 4.596 1.00 0.00 C ATOM 636 C TYR A 42 8.966 -8.098 5.341 1.00 0.00 C ATOM 637 O TYR A 42 10.007 -7.440 5.341 1.00 0.00 O ATOM 638 CB TYR A 42 7.699 -8.199 3.186 1.00 0.00 C ATOM 639 CG TYR A 42 8.948 -7.914 2.383 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.081 -6.731 1.666 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.994 -8.827 2.340 1.00 0.00 C ATOM 642 CE1 TYR A 42 10.219 -6.466 0.930 1.00 0.00 C ATOM 643 CE2 TYR A 42 11.137 -8.569 1.607 1.00 0.00 C ATOM 644 CZ TYR A 42 11.245 -7.388 0.904 1.00 0.00 C ATOM 645 OH TYR A 42 12.381 -7.128 0.173 1.00 0.00 O ATOM 0 H TYR A 42 8.605 -5.720 4.321 1.00 0.00 H new ATOM 0 HA TYR A 42 6.845 -7.936 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.561 -9.278 3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.835 -7.802 2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.280 -6.006 1.685 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.913 -9.754 2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.305 -5.542 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.942 -9.289 1.585 1.00 0.00 H new ATOM 0 HH TYR A 42 13.006 -7.878 0.262 1.00 0.00 H new ATOM 655 N TYR A 43 8.844 -9.259 5.975 1.00 0.00 N ATOM 656 CA TYR A 43 9.951 -9.839 6.726 1.00 0.00 C ATOM 657 C TYR A 43 10.172 -11.296 6.331 1.00 0.00 C ATOM 658 O TYR A 43 9.274 -11.953 5.804 1.00 0.00 O ATOM 659 CB TYR A 43 9.682 -9.741 8.228 1.00 0.00 C ATOM 660 CG TYR A 43 9.160 -8.391 8.663 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.890 -7.964 8.297 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.937 -7.542 9.442 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.409 -6.730 8.691 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.464 -6.307 9.843 1.00 0.00 C ATOM 665 CZ TYR A 43 8.200 -5.905 9.464 1.00 0.00 C ATOM 666 OH TYR A 43 7.725 -4.677 9.861 1.00 0.00 O ATOM 0 H TYR A 43 7.990 -9.817 5.984 1.00 0.00 H new ATOM 0 HA TYR A 43 10.853 -9.276 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.961 -10.508 8.510 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.604 -9.956 8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.267 -8.608 7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.928 -7.853 9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.420 -6.413 8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.080 -5.660 10.450 1.00 0.00 H new ATOM 0 HH TYR A 43 8.405 -4.222 10.400 1.00 0.00 H new ATOM 676 N LYS A 44 11.375 -11.797 6.591 1.00 0.00 N ATOM 677 CA LYS A 44 11.717 -13.176 6.266 1.00 0.00 C ATOM 678 C LYS A 44 10.626 -14.133 6.737 1.00 0.00 C ATOM 679 O LYS A 44 10.182 -15.001 5.986 1.00 0.00 O ATOM 680 CB LYS A 44 13.055 -13.556 6.906 1.00 0.00 C ATOM 681 CG LYS A 44 13.819 -14.618 6.134 1.00 0.00 C ATOM 682 CD LYS A 44 15.305 -14.573 6.446 1.00 0.00 C ATOM 683 CE LYS A 44 16.131 -15.154 5.309 1.00 0.00 C ATOM 684 NZ LYS A 44 16.271 -16.632 5.424 1.00 0.00 N ATOM 0 H LYS A 44 12.130 -11.267 7.027 1.00 0.00 H new ATOM 0 HA LYS A 44 11.804 -13.257 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.675 -12.663 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.875 -13.915 7.919 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.424 -15.603 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.666 -14.472 5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.609 -13.542 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.503 -15.130 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.662 -14.907 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.119 -14.695 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.840 -16.990 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.741 -16.867 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.329 -17.073 5.401 1.00 0.00 H new ATOM 698 N ASP A 45 10.199 -13.967 7.984 1.00 0.00 N ATOM 699 CA ASP A 45 9.158 -14.814 8.554 1.00 0.00 C ATOM 700 C ASP A 45 8.373 -14.064 9.626 1.00 0.00 C ATOM 701 O ASP A 45 8.788 -12.997 10.079 1.00 0.00 O ATOM 702 CB ASP A 45 9.772 -16.083 9.148 1.00 0.00 C ATOM 703 CG ASP A 45 8.747 -16.941 9.865 1.00 0.00 C ATOM 704 OD1 ASP A 45 8.356 -16.580 10.995 1.00 0.00 O ATOM 705 OD2 ASP A 45 8.336 -17.973 9.295 1.00 0.00 O ATOM 0 H ASP A 45 10.558 -13.254 8.619 1.00 0.00 H new ATOM 0 HA ASP A 45 8.471 -15.092 7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.236 -16.665 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.563 -15.808 9.845 1.00 0.00 H new ATOM 710 N GLU A 46 7.238 -14.628 10.026 1.00 0.00 N ATOM 711 CA GLU A 46 6.395 -14.011 11.043 1.00 0.00 C ATOM 712 C GLU A 46 7.236 -13.500 12.210 1.00 0.00 C ATOM 713 O GLU A 46 6.912 -12.485 12.826 1.00 0.00 O ATOM 714 CB GLU A 46 5.354 -15.011 11.550 1.00 0.00 C ATOM 715 CG GLU A 46 4.414 -14.433 12.595 1.00 0.00 C ATOM 716 CD GLU A 46 3.520 -15.486 13.221 1.00 0.00 C ATOM 717 OE1 GLU A 46 2.511 -15.861 12.586 1.00 0.00 O ATOM 718 OE2 GLU A 46 3.829 -15.936 14.344 1.00 0.00 O ATOM 0 H GLU A 46 6.881 -15.511 9.661 1.00 0.00 H new ATOM 0 HA GLU A 46 5.882 -13.163 10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.767 -15.372 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.868 -15.874 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.999 -13.948 13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.795 -13.663 12.135 1.00 0.00 H new ATOM 725 N LYS A 47 8.317 -14.213 12.508 1.00 0.00 N ATOM 726 CA LYS A 47 9.206 -13.833 13.600 1.00 0.00 C ATOM 727 C LYS A 47 9.359 -12.318 13.675 1.00 0.00 C ATOM 728 O LYS A 47 9.470 -11.750 14.761 1.00 0.00 O ATOM 729 CB LYS A 47 10.578 -14.487 13.418 1.00 0.00 C ATOM 730 CG LYS A 47 10.613 -15.951 13.822 1.00 0.00 C ATOM 731 CD LYS A 47 12.034 -16.488 13.848 1.00 0.00 C ATOM 732 CE LYS A 47 12.055 -18.001 14.001 1.00 0.00 C ATOM 733 NZ LYS A 47 13.431 -18.553 13.869 1.00 0.00 N ATOM 0 H LYS A 47 8.599 -15.057 12.009 1.00 0.00 H new ATOM 0 HA LYS A 47 8.764 -14.182 14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.877 -14.400 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.313 -13.939 14.007 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.160 -16.069 14.807 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.014 -16.536 13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.547 -16.207 12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.582 -16.030 14.671 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.646 -18.273 14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.409 -18.451 13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.402 -19.587 13.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.812 -18.315 12.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.042 -18.143 14.604 1.00 0.00 H new ATOM 747 N GLU A 48 9.363 -11.669 12.515 1.00 0.00 N ATOM 748 CA GLU A 48 9.501 -10.219 12.452 1.00 0.00 C ATOM 749 C GLU A 48 10.842 -9.775 13.030 1.00 0.00 C ATOM 750 O GLU A 48 10.908 -8.830 13.816 1.00 0.00 O ATOM 751 CB GLU A 48 8.358 -9.541 13.209 1.00 0.00 C ATOM 752 CG GLU A 48 7.046 -9.523 12.442 1.00 0.00 C ATOM 753 CD GLU A 48 6.905 -8.300 11.557 1.00 0.00 C ATOM 754 OE1 GLU A 48 7.434 -7.233 11.932 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.266 -8.410 10.490 1.00 0.00 O ATOM 0 H GLU A 48 9.272 -12.124 11.607 1.00 0.00 H new ATOM 0 HA GLU A 48 9.459 -9.921 11.404 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.207 -10.055 14.158 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.646 -8.516 13.443 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.976 -10.421 11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.216 -9.554 13.148 1.00 0.00 H new ATOM 762 N GLU A 49 11.908 -10.464 12.634 1.00 0.00 N ATOM 763 CA GLU A 49 13.247 -10.141 13.114 1.00 0.00 C ATOM 764 C GLU A 49 13.700 -8.783 12.588 1.00 0.00 C ATOM 765 O GLU A 49 14.036 -7.886 13.362 1.00 0.00 O ATOM 766 CB GLU A 49 14.240 -11.224 12.686 1.00 0.00 C ATOM 767 CG GLU A 49 14.076 -12.533 13.440 1.00 0.00 C ATOM 768 CD GLU A 49 14.120 -12.350 14.944 1.00 0.00 C ATOM 769 OE1 GLU A 49 15.175 -11.922 15.458 1.00 0.00 O ATOM 770 OE2 GLU A 49 13.102 -12.635 15.608 1.00 0.00 O ATOM 0 H GLU A 49 11.871 -11.248 11.983 1.00 0.00 H new ATOM 0 HA GLU A 49 13.215 -10.097 14.203 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.122 -11.412 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.254 -10.854 12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.127 -12.992 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.864 -13.223 13.139 1.00 0.00 H new ATOM 777 N SER A 50 13.708 -8.639 11.267 1.00 0.00 N ATOM 778 CA SER A 50 14.125 -7.392 10.636 1.00 0.00 C ATOM 779 C SER A 50 13.508 -7.252 9.248 1.00 0.00 C ATOM 780 O SER A 50 13.231 -8.247 8.577 1.00 0.00 O ATOM 781 CB SER A 50 15.650 -7.330 10.538 1.00 0.00 C ATOM 782 OG SER A 50 16.244 -7.324 11.824 1.00 0.00 O ATOM 0 H SER A 50 13.430 -9.370 10.613 1.00 0.00 H new ATOM 0 HA SER A 50 13.774 -6.566 11.255 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.016 -8.185 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.946 -6.434 9.993 1.00 0.00 H new ATOM 0 HG SER A 50 17.219 -7.286 11.734 1.00 0.00 H new ATOM 788 N ILE A 51 13.296 -6.011 8.823 1.00 0.00 N ATOM 789 CA ILE A 51 12.714 -5.741 7.514 1.00 0.00 C ATOM 790 C ILE A 51 13.737 -5.950 6.403 1.00 0.00 C ATOM 791 O ILE A 51 14.839 -5.400 6.448 1.00 0.00 O ATOM 792 CB ILE A 51 12.165 -4.305 7.428 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.040 -4.103 8.447 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.670 -4.010 6.020 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.679 -2.651 8.669 1.00 0.00 C ATOM 0 H ILE A 51 13.519 -5.177 9.366 1.00 0.00 H new ATOM 0 HA ILE A 51 11.892 -6.444 7.383 1.00 0.00 H new ATOM 0 HB ILE A 51 12.971 -3.610 7.662 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.154 -4.642 8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.339 -4.544 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.285 -2.991 5.976 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.494 -4.118 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.876 -4.710 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.876 -2.584 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.552 -2.111 9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.349 -2.210 7.728 1.00 0.00 H new ATOM 807 N LEU A 52 13.366 -6.745 5.406 1.00 0.00 N ATOM 808 CA LEU A 52 14.251 -7.025 4.281 1.00 0.00 C ATOM 809 C LEU A 52 14.081 -5.981 3.182 1.00 0.00 C ATOM 810 O LEU A 52 15.042 -5.612 2.508 1.00 0.00 O ATOM 811 CB LEU A 52 13.971 -8.421 3.722 1.00 0.00 C ATOM 812 CG LEU A 52 14.490 -9.594 4.554 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.608 -9.815 5.773 1.00 0.00 C ATOM 814 CD2 LEU A 52 14.562 -10.857 3.709 1.00 0.00 C ATOM 0 H LEU A 52 12.458 -7.207 5.354 1.00 0.00 H new ATOM 0 HA LEU A 52 15.279 -6.984 4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.893 -8.534 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.409 -8.486 2.726 1.00 0.00 H new ATOM 0 HG LEU A 52 15.496 -9.354 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.993 -10.654 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.608 -8.916 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 52 12.590 -10.033 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.933 -11.681 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.568 -11.102 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.236 -10.694 2.868 1.00 0.00 H new ATOM 826 N GLY A 53 12.851 -5.507 3.008 1.00 0.00 N ATOM 827 CA GLY A 53 12.578 -4.508 1.991 1.00 0.00 C ATOM 828 C GLY A 53 11.203 -3.889 2.141 1.00 0.00 C ATOM 829 O GLY A 53 10.287 -4.515 2.675 1.00 0.00 O ATOM 0 H GLY A 53 12.039 -5.797 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.334 -3.724 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.662 -4.965 1.005 1.00 0.00 H new ATOM 833 N SER A 54 11.057 -2.654 1.670 1.00 0.00 N ATOM 834 CA SER A 54 9.784 -1.948 1.760 1.00 0.00 C ATOM 835 C SER A 54 9.177 -1.746 0.375 1.00 0.00 C ATOM 836 O SER A 54 9.894 -1.627 -0.619 1.00 0.00 O ATOM 837 CB SER A 54 9.976 -0.594 2.447 1.00 0.00 C ATOM 838 OG SER A 54 10.428 0.385 1.529 1.00 0.00 O ATOM 0 H SER A 54 11.804 -2.122 1.223 1.00 0.00 H new ATOM 0 HA SER A 54 9.100 -2.555 2.353 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.035 -0.272 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.695 -0.694 3.260 1.00 0.00 H new ATOM 0 HG SER A 54 10.541 1.241 1.993 1.00 0.00 H new ATOM 844 N ILE A 55 7.850 -1.707 0.318 1.00 0.00 N ATOM 845 CA ILE A 55 7.145 -1.519 -0.944 1.00 0.00 C ATOM 846 C ILE A 55 6.251 -0.284 -0.895 1.00 0.00 C ATOM 847 O ILE A 55 5.309 -0.200 -0.108 1.00 0.00 O ATOM 848 CB ILE A 55 6.285 -2.747 -1.298 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.150 -4.008 -1.335 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.586 -2.537 -2.633 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.348 -5.289 -1.398 1.00 0.00 C ATOM 0 H ILE A 55 7.242 -1.803 1.131 1.00 0.00 H new ATOM 0 HA ILE A 55 7.906 -1.385 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 55 5.524 -2.874 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.811 -3.960 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.785 -4.029 -0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.982 -3.413 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.943 -1.659 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.331 -2.388 -3.414 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.026 -6.142 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.706 -5.360 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.733 -5.289 -2.298 1.00 0.00 H new ATOM 863 N PRO A 56 6.551 0.698 -1.759 1.00 0.00 N ATOM 864 CA PRO A 56 5.786 1.945 -1.836 1.00 0.00 C ATOM 865 C PRO A 56 4.389 1.734 -2.410 1.00 0.00 C ATOM 866 O PRO A 56 4.232 1.185 -3.501 1.00 0.00 O ATOM 867 CB PRO A 56 6.623 2.818 -2.774 1.00 0.00 C ATOM 868 CG PRO A 56 7.387 1.850 -3.610 1.00 0.00 C ATOM 869 CD PRO A 56 7.661 0.665 -2.727 1.00 0.00 C ATOM 0 HA PRO A 56 5.625 2.385 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.990 3.459 -3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.292 3.472 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.814 1.557 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.316 2.293 -3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.672 -0.265 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.629 0.748 -2.232 1.00 0.00 H new ATOM 877 N LEU A 57 3.378 2.174 -1.669 1.00 0.00 N ATOM 878 CA LEU A 57 1.993 2.033 -2.105 1.00 0.00 C ATOM 879 C LEU A 57 1.313 3.395 -2.209 1.00 0.00 C ATOM 880 O LEU A 57 0.087 3.495 -2.149 1.00 0.00 O ATOM 881 CB LEU A 57 1.220 1.138 -1.135 1.00 0.00 C ATOM 882 CG LEU A 57 1.458 -0.366 -1.276 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.587 -1.138 -0.296 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.187 -0.818 -2.703 1.00 0.00 C ATOM 0 H LEU A 57 3.491 2.631 -0.764 1.00 0.00 H new ATOM 0 HA LEU A 57 1.995 1.572 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.476 1.432 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.155 1.331 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 57 2.503 -0.572 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.770 -2.206 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.830 -0.836 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.463 -0.926 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.362 -1.891 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.152 -0.598 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.853 -0.289 -3.385 1.00 0.00 H new ATOM 896 N LEU A 58 2.117 4.441 -2.366 1.00 0.00 N ATOM 897 CA LEU A 58 1.594 5.798 -2.480 1.00 0.00 C ATOM 898 C LEU A 58 0.262 5.807 -3.222 1.00 0.00 C ATOM 899 O LEU A 58 -0.787 6.067 -2.633 1.00 0.00 O ATOM 900 CB LEU A 58 2.600 6.694 -3.204 1.00 0.00 C ATOM 901 CG LEU A 58 2.140 8.123 -3.492 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.233 8.626 -2.380 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.339 9.045 -3.662 1.00 0.00 C ATOM 0 H LEU A 58 3.134 4.375 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 58 1.431 6.184 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.511 6.740 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.863 6.221 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 58 1.573 8.121 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.915 9.645 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.357 7.981 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.775 8.613 -1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.993 10.058 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.933 9.042 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.951 8.696 -4.494 1.00 0.00 H new ATOM 915 N SER A 59 0.310 5.518 -4.519 1.00 0.00 N ATOM 916 CA SER A 59 -0.893 5.495 -5.342 1.00 0.00 C ATOM 917 C SER A 59 -0.986 4.192 -6.132 1.00 0.00 C ATOM 918 O SER A 59 -1.856 4.032 -6.988 1.00 0.00 O ATOM 919 CB SER A 59 -0.904 6.687 -6.301 1.00 0.00 C ATOM 920 OG SER A 59 -0.949 7.912 -5.590 1.00 0.00 O ATOM 0 H SER A 59 1.169 5.297 -5.022 1.00 0.00 H new ATOM 0 HA SER A 59 -1.757 5.562 -4.681 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.014 6.660 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.766 6.616 -6.965 1.00 0.00 H new ATOM 0 HG SER A 59 -0.953 8.659 -6.225 1.00 0.00 H new ATOM 926 N PHE A 60 -0.082 3.264 -5.837 1.00 0.00 N ATOM 927 CA PHE A 60 -0.060 1.975 -6.518 1.00 0.00 C ATOM 928 C PHE A 60 -1.475 1.442 -6.720 1.00 0.00 C ATOM 929 O PHE A 60 -2.337 1.595 -5.855 1.00 0.00 O ATOM 930 CB PHE A 60 0.768 0.966 -5.720 1.00 0.00 C ATOM 931 CG PHE A 60 2.232 0.993 -6.054 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.986 2.134 -5.830 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.854 -0.122 -6.592 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.333 2.162 -6.138 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.201 -0.100 -6.901 1.00 0.00 C ATOM 936 CZ PHE A 60 4.942 1.043 -6.672 1.00 0.00 C ATOM 0 H PHE A 60 0.645 3.381 -5.131 1.00 0.00 H new ATOM 0 HA PHE A 60 0.399 2.118 -7.496 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.643 1.166 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.380 -0.036 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.516 3.011 -5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.280 -1.019 -6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.909 3.058 -5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.674 -0.976 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.995 1.062 -6.910 1.00 0.00 H new ATOM 946 N ARG A 61 -1.707 0.816 -7.870 1.00 0.00 N ATOM 947 CA ARG A 61 -3.018 0.262 -8.187 1.00 0.00 C ATOM 948 C ARG A 61 -3.060 -1.235 -7.897 1.00 0.00 C ATOM 949 O ARG A 61 -2.563 -2.044 -8.681 1.00 0.00 O ATOM 950 CB ARG A 61 -3.361 0.518 -9.656 1.00 0.00 C ATOM 951 CG ARG A 61 -4.842 0.380 -9.968 1.00 0.00 C ATOM 952 CD ARG A 61 -5.140 0.723 -11.419 1.00 0.00 C ATOM 953 NE ARG A 61 -5.431 2.143 -11.598 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.324 2.774 -12.762 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.935 2.115 -13.844 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.606 4.068 -12.844 1.00 0.00 N ATOM 0 H ARG A 61 -1.004 0.680 -8.597 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.757 0.757 -7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.033 1.521 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.801 -0.180 -10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.165 -0.640 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.416 1.036 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.287 0.447 -12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.989 0.133 -11.764 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.733 2.680 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.717 1.120 -13.784 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.854 2.602 -14.736 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.905 4.578 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.524 4.552 -13.738 1.00 0.00 H new ATOM 970 N VAL A 62 -3.656 -1.597 -6.766 1.00 0.00 N ATOM 971 CA VAL A 62 -3.764 -2.997 -6.372 1.00 0.00 C ATOM 972 C VAL A 62 -5.115 -3.579 -6.773 1.00 0.00 C ATOM 973 O VAL A 62 -6.162 -3.004 -6.477 1.00 0.00 O ATOM 974 CB VAL A 62 -3.573 -3.169 -4.854 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.542 -4.644 -4.483 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.304 -2.469 -4.393 1.00 0.00 C ATOM 0 H VAL A 62 -4.072 -0.940 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.972 -3.534 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.420 -2.708 -4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.406 -4.746 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.481 -5.113 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.716 -5.132 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.186 -2.601 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.444 -2.898 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.371 -1.406 -4.622 1.00 0.00 H new ATOM 986 N ALA A 63 -5.084 -4.722 -7.449 1.00 0.00 N ATOM 987 CA ALA A 63 -6.306 -5.383 -7.889 1.00 0.00 C ATOM 988 C ALA A 63 -6.010 -6.773 -8.442 1.00 0.00 C ATOM 989 O ALA A 63 -4.872 -7.081 -8.797 1.00 0.00 O ATOM 990 CB ALA A 63 -7.017 -4.538 -8.935 1.00 0.00 C ATOM 0 H ALA A 63 -4.225 -5.210 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.959 -5.496 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.928 -5.045 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.272 -3.568 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.361 -4.395 -9.794 1.00 0.00 H new ATOM 996 N ALA A 64 -7.041 -7.609 -8.512 1.00 0.00 N ATOM 997 CA ALA A 64 -6.891 -8.966 -9.023 1.00 0.00 C ATOM 998 C ALA A 64 -6.107 -8.977 -10.331 1.00 0.00 C ATOM 999 O ALA A 64 -6.310 -8.123 -11.195 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.255 -9.611 -9.218 1.00 0.00 C ATOM 0 H ALA A 64 -7.989 -7.370 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.330 -9.544 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.127 -10.624 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.780 -9.647 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.836 -9.025 -9.930 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.209 -9.947 -10.470 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.395 -10.069 -11.674 1.00 0.00 C ATOM 1008 C VAL A 65 -5.264 -10.080 -12.926 1.00 0.00 C ATOM 1009 O VAL A 65 -6.489 -9.997 -12.844 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.538 -11.348 -11.645 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.389 -11.199 -10.659 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.396 -12.556 -11.298 1.00 0.00 C ATOM 0 H VAL A 65 -5.027 -10.660 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.737 -9.201 -11.700 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.115 -11.504 -12.638 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.795 -12.113 -10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.761 -10.359 -10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.787 -11.018 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.774 -13.451 -11.282 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.849 -12.411 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.180 -12.672 -12.046 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.621 -10.184 -14.085 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.336 -10.206 -15.355 1.00 0.00 C ATOM 1024 C GLN A 66 -5.258 -11.586 -16.000 1.00 0.00 C ATOM 1025 O GLN A 66 -4.390 -12.399 -15.680 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.763 -9.153 -16.305 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.438 -7.796 -16.187 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.410 -7.015 -17.487 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -4.361 -6.530 -17.911 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -6.567 -6.891 -18.127 1.00 0.00 N ATOM 0 H GLN A 66 -3.607 -10.254 -14.170 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.383 -9.976 -15.158 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.697 -9.038 -16.107 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.860 -9.510 -17.330 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.473 -7.935 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.944 -7.215 -15.408 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.412 -7.310 -17.739 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.611 -6.377 -19.007 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.185 -11.859 -16.930 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.242 -13.140 -17.639 1.00 0.00 C ATOM 1041 C PRO A 67 -5.077 -13.319 -18.607 1.00 0.00 C ATOM 1042 O PRO A 67 -4.796 -14.430 -19.056 1.00 0.00 O ATOM 1043 CB PRO A 67 -7.565 -13.064 -18.404 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.817 -11.607 -18.582 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.249 -10.937 -17.361 1.00 0.00 C ATOM 0 HA PRO A 67 -6.177 -13.987 -16.956 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.496 -13.574 -19.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.372 -13.540 -17.847 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.339 -11.236 -19.489 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.884 -11.404 -18.678 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.854 -9.948 -17.592 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.005 -10.805 -16.587 1.00 0.00 H new ATOM 1053 N SER A 68 -4.402 -12.219 -18.924 1.00 0.00 N ATOM 1054 CA SER A 68 -3.270 -12.254 -19.842 1.00 0.00 C ATOM 1055 C SER A 68 -2.005 -12.717 -19.126 1.00 0.00 C ATOM 1056 O SER A 68 -1.046 -13.159 -19.759 1.00 0.00 O ATOM 1057 CB SER A 68 -3.043 -10.873 -20.460 1.00 0.00 C ATOM 1058 OG SER A 68 -3.835 -10.698 -21.622 1.00 0.00 O ATOM 0 H SER A 68 -4.620 -11.292 -18.558 1.00 0.00 H new ATOM 0 HA SER A 68 -3.500 -12.965 -20.635 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.286 -10.100 -19.731 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.990 -10.753 -20.713 1.00 0.00 H new ATOM 0 HG SER A 68 -3.673 -9.807 -21.997 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.184 -19.311 -7.867 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.504 -18.729 -7.655 1.00 0.00 C ATOM 1146 C LYS A 74 -5.455 -17.641 -6.588 1.00 0.00 C ATOM 1147 O LYS A 74 -4.503 -17.563 -5.810 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.502 -19.815 -7.245 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.086 -20.580 -8.421 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.281 -19.856 -9.019 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.529 -20.047 -8.172 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.577 -19.039 -8.493 1.00 0.00 N ATOM 0 HA LYS A 74 -5.830 -18.279 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.007 -20.518 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.314 -19.356 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.321 -20.714 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.388 -21.575 -8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.058 -18.793 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.464 -20.226 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.927 -21.049 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.266 -19.974 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.411 -19.203 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.206 -18.084 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.847 -19.125 -9.494 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.486 -16.802 -6.556 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.560 -15.719 -5.582 1.00 0.00 C ATOM 1168 C HIS A 75 -5.282 -14.885 -5.598 1.00 0.00 C ATOM 1169 O HIS A 75 -4.662 -14.659 -4.558 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.799 -16.281 -4.180 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.574 -17.562 -4.172 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.818 -17.692 -4.752 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.275 -18.775 -3.651 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.251 -18.929 -4.587 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.333 -19.607 -3.922 1.00 0.00 N ATOM 0 H HIS A 75 -7.281 -16.851 -7.193 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.396 -15.075 -5.854 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.837 -16.445 -3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.333 -15.539 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.372 -19.039 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.195 -19.320 -4.936 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.399 -20.589 -3.654 1.00 0.00 H new ATOM 1184 N THR A 76 -4.893 -14.431 -6.785 1.00 0.00 N ATOM 1185 CA THR A 76 -3.688 -13.625 -6.937 1.00 0.00 C ATOM 1186 C THR A 76 -4.022 -12.231 -7.457 1.00 0.00 C ATOM 1187 O THR A 76 -4.943 -12.060 -8.256 1.00 0.00 O ATOM 1188 CB THR A 76 -2.683 -14.291 -7.895 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.565 -15.685 -7.589 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.318 -13.627 -7.795 1.00 0.00 C ATOM 0 H THR A 76 -5.395 -14.608 -7.655 1.00 0.00 H new ATOM 0 HA THR A 76 -3.236 -13.543 -5.949 1.00 0.00 H new ATOM 0 HB THR A 76 -3.053 -14.173 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.925 -16.102 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.625 -14.115 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.406 -12.573 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.943 -13.717 -6.775 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.266 -11.238 -7.001 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.483 -9.858 -7.421 1.00 0.00 C ATOM 1200 C PHE A 77 -2.168 -9.204 -7.837 1.00 0.00 C ATOM 1201 O PHE A 77 -1.087 -9.690 -7.506 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.130 -9.054 -6.291 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.585 -9.387 -4.931 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.747 -10.654 -4.396 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.912 -8.431 -4.187 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.248 -10.964 -3.145 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.410 -8.734 -2.936 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.579 -10.002 -2.414 1.00 0.00 C ATOM 0 H PHE A 77 -2.498 -11.363 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.153 -9.867 -8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.984 -7.991 -6.482 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.205 -9.234 -6.297 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.270 -11.409 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.778 -7.438 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.381 -11.956 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.886 -7.980 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.189 -10.241 -1.436 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.270 -8.098 -8.567 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.091 -7.375 -9.029 1.00 0.00 C ATOM 1220 C LYS A 78 -1.131 -5.920 -8.573 1.00 0.00 C ATOM 1221 O LYS A 78 -2.180 -5.277 -8.609 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.994 -7.440 -10.555 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.142 -6.745 -11.267 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.771 -6.374 -12.694 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.749 -5.369 -13.281 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.383 -4.987 -14.673 1.00 0.00 N ATOM 0 H LYS A 78 -3.157 -7.683 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.211 -7.849 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.054 -6.987 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.964 -8.485 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.015 -7.398 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.421 -5.846 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.764 -5.957 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.755 -7.272 -13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.753 -5.792 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.774 -4.478 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.226 -4.635 -15.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.659 -4.241 -14.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.008 -5.818 -15.174 1.00 0.00 H new ATOM 1240 N ALA A 79 0.018 -5.407 -8.145 1.00 0.00 N ATOM 1241 CA ALA A 79 0.114 -4.027 -7.686 1.00 0.00 C ATOM 1242 C ALA A 79 1.220 -3.279 -8.422 1.00 0.00 C ATOM 1243 O ALA A 79 2.401 -3.453 -8.127 1.00 0.00 O ATOM 1244 CB ALA A 79 0.356 -3.986 -6.184 1.00 0.00 C ATOM 0 H ALA A 79 0.895 -5.926 -8.107 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.832 -3.531 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.426 -2.949 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.470 -4.476 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.286 -4.504 -5.951 1.00 0.00 H new ATOM 1250 N GLU A 80 0.827 -2.446 -9.382 1.00 0.00 N ATOM 1251 CA GLU A 80 1.787 -1.673 -10.161 1.00 0.00 C ATOM 1252 C GLU A 80 1.525 -0.177 -10.018 1.00 0.00 C ATOM 1253 O GLU A 80 0.401 0.244 -9.739 1.00 0.00 O ATOM 1254 CB GLU A 80 1.722 -2.075 -11.636 1.00 0.00 C ATOM 1255 CG GLU A 80 0.768 -1.224 -12.457 1.00 0.00 C ATOM 1256 CD GLU A 80 0.140 -1.993 -13.603 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.529 -3.013 -13.336 1.00 0.00 O ATOM 1258 OE2 GLU A 80 0.316 -1.575 -14.766 1.00 0.00 O ATOM 0 H GLU A 80 -0.148 -2.290 -9.638 1.00 0.00 H new ATOM 0 HA GLU A 80 2.784 -1.888 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.721 -2.005 -12.067 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.417 -3.119 -11.706 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.019 -0.838 -11.809 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.305 -0.362 -12.854 1.00 0.00 H new ATOM 1265 N HIS A 81 2.569 0.622 -10.212 1.00 0.00 N ATOM 1266 CA HIS A 81 2.452 2.072 -10.105 1.00 0.00 C ATOM 1267 C HIS A 81 2.377 2.715 -11.487 1.00 0.00 C ATOM 1268 O HIS A 81 2.722 2.092 -12.491 1.00 0.00 O ATOM 1269 CB HIS A 81 3.637 2.645 -9.327 1.00 0.00 C ATOM 1270 CG HIS A 81 3.475 4.089 -8.964 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.523 4.984 -8.952 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.376 4.792 -8.601 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.077 6.176 -8.595 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.777 6.086 -8.377 1.00 0.00 N ATOM 0 H HIS A 81 3.505 0.290 -10.444 1.00 0.00 H new ATOM 0 HA HIS A 81 1.531 2.298 -9.568 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.778 2.064 -8.416 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.542 2.528 -9.923 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.372 4.407 -8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.674 7.071 -8.498 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.170 6.853 -8.089 1.00 0.00 H new ATOM 1316 N ARG A 85 7.126 -0.543 -12.155 1.00 0.00 N ATOM 1317 CA ARG A 85 7.242 -1.968 -11.872 1.00 0.00 C ATOM 1318 C ARG A 85 5.866 -2.594 -11.657 1.00 0.00 C ATOM 1319 O ARG A 85 4.888 -1.894 -11.392 1.00 0.00 O ATOM 1320 CB ARG A 85 8.115 -2.195 -10.636 1.00 0.00 C ATOM 1321 CG ARG A 85 8.941 -3.469 -10.700 1.00 0.00 C ATOM 1322 CD ARG A 85 10.262 -3.314 -9.963 1.00 0.00 C ATOM 1323 NE ARG A 85 11.313 -4.148 -10.540 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.426 -5.451 -10.310 1.00 0.00 C ATOM 1325 NH1 ARG A 85 10.557 -6.066 -9.520 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.409 -6.143 -10.873 1.00 0.00 N ATOM 0 HA ARG A 85 7.710 -2.446 -12.732 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.785 -1.344 -10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.477 -2.229 -9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.375 -4.293 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.132 -3.728 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.572 -2.269 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.125 -3.578 -8.914 1.00 0.00 H new ATOM 0 HE ARG A 85 11.998 -3.705 -11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.799 -5.538 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.646 -7.067 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.079 -5.674 -11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.495 -7.144 -10.696 1.00 0.00 H new ATOM 1340 N THR A 86 5.798 -3.916 -11.774 1.00 0.00 N ATOM 1341 CA THR A 86 4.543 -4.636 -11.595 1.00 0.00 C ATOM 1342 C THR A 86 4.676 -5.713 -10.524 1.00 0.00 C ATOM 1343 O THR A 86 5.284 -6.759 -10.754 1.00 0.00 O ATOM 1344 CB THR A 86 4.077 -5.288 -12.910 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.273 -4.384 -14.002 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.610 -5.682 -12.828 1.00 0.00 C ATOM 0 H THR A 86 6.598 -4.510 -11.992 1.00 0.00 H new ATOM 0 HA THR A 86 3.800 -3.904 -11.279 1.00 0.00 H new ATOM 0 HB THR A 86 4.670 -6.188 -13.074 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.976 -4.807 -14.834 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.303 -6.140 -13.768 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.469 -6.394 -12.014 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.005 -4.795 -12.643 1.00 0.00 H new ATOM 1354 N TYR A 87 4.102 -5.452 -9.355 1.00 0.00 N ATOM 1355 CA TYR A 87 4.158 -6.400 -8.248 1.00 0.00 C ATOM 1356 C TYR A 87 3.031 -7.424 -8.351 1.00 0.00 C ATOM 1357 O TYR A 87 1.961 -7.136 -8.887 1.00 0.00 O ATOM 1358 CB TYR A 87 4.070 -5.661 -6.912 1.00 0.00 C ATOM 1359 CG TYR A 87 5.207 -4.692 -6.680 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.328 -3.537 -7.443 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.161 -4.932 -5.699 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.366 -2.649 -7.235 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.201 -4.049 -5.483 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.300 -2.909 -6.253 1.00 0.00 C ATOM 1365 OH TYR A 87 8.335 -2.028 -6.042 1.00 0.00 O ATOM 0 H TYR A 87 3.593 -4.592 -9.149 1.00 0.00 H new ATOM 0 HA TYR A 87 5.110 -6.928 -8.302 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.126 -5.118 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.055 -6.391 -6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.598 -3.330 -8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.088 -5.824 -5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.446 -1.756 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.933 -4.250 -4.715 1.00 0.00 H new ATOM 0 HH TYR A 87 8.902 -2.358 -5.314 1.00 0.00 H new ATOM 1375 N PHE A 88 3.281 -8.622 -7.832 1.00 0.00 N ATOM 1376 CA PHE A 88 2.289 -9.691 -7.865 1.00 0.00 C ATOM 1377 C PHE A 88 2.252 -10.439 -6.536 1.00 0.00 C ATOM 1378 O PHE A 88 3.268 -10.959 -6.074 1.00 0.00 O ATOM 1379 CB PHE A 88 2.596 -10.666 -9.004 1.00 0.00 C ATOM 1380 CG PHE A 88 2.121 -10.189 -10.346 1.00 0.00 C ATOM 1381 CD1 PHE A 88 2.942 -9.418 -11.153 1.00 0.00 C ATOM 1382 CD2 PHE A 88 0.852 -10.511 -10.801 1.00 0.00 C ATOM 1383 CE1 PHE A 88 2.506 -8.978 -12.389 1.00 0.00 C ATOM 1384 CE2 PHE A 88 0.411 -10.074 -12.036 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.240 -9.307 -12.831 1.00 0.00 C ATOM 0 H PHE A 88 4.161 -8.877 -7.384 1.00 0.00 H new ATOM 0 HA PHE A 88 1.311 -9.240 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.672 -10.834 -9.047 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.132 -11.627 -8.784 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.933 -9.158 -10.813 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.200 -11.111 -10.183 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.155 -8.377 -13.009 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.580 -10.332 -12.379 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.899 -8.965 -13.797 1.00 0.00 H new ATOM 1395 N PHE A 89 1.073 -10.489 -5.925 1.00 0.00 N ATOM 1396 CA PHE A 89 0.902 -11.171 -4.647 1.00 0.00 C ATOM 1397 C PHE A 89 -0.143 -12.277 -4.757 1.00 0.00 C ATOM 1398 O PHE A 89 -1.167 -12.115 -5.422 1.00 0.00 O ATOM 1399 CB PHE A 89 0.493 -10.173 -3.562 1.00 0.00 C ATOM 1400 CG PHE A 89 1.469 -9.045 -3.387 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.707 -9.266 -2.805 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.149 -7.764 -3.805 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.607 -8.230 -2.642 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.045 -6.723 -3.645 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.275 -6.957 -3.064 1.00 0.00 C ATOM 0 H PHE A 89 0.222 -10.065 -6.294 1.00 0.00 H new ATOM 0 HA PHE A 89 1.856 -11.622 -4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.486 -9.761 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.387 -10.702 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.972 -10.260 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.188 -7.576 -4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.568 -8.415 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.783 -5.728 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.977 -6.146 -2.939 1.00 0.00 H new ATOM 1415 N SER A 90 0.122 -13.402 -4.101 1.00 0.00 N ATOM 1416 CA SER A 90 -0.793 -14.537 -4.128 1.00 0.00 C ATOM 1417 C SER A 90 -1.274 -14.880 -2.721 1.00 0.00 C ATOM 1418 O SER A 90 -0.475 -15.007 -1.794 1.00 0.00 O ATOM 1419 CB SER A 90 -0.112 -15.754 -4.757 1.00 0.00 C ATOM 1420 OG SER A 90 -0.825 -16.944 -4.468 1.00 0.00 O ATOM 0 H SER A 90 0.963 -13.552 -3.544 1.00 0.00 H new ATOM 0 HA SER A 90 -1.657 -14.261 -4.732 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.045 -15.620 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.908 -15.838 -4.382 1.00 0.00 H new ATOM 0 HG SER A 90 -0.370 -17.707 -4.882 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.586 -15.030 -2.571 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.175 -15.360 -1.280 1.00 0.00 C ATOM 1428 C ALA A 91 -3.609 -16.822 -1.232 1.00 0.00 C ATOM 1429 O ALA A 91 -4.349 -17.287 -2.097 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.357 -14.447 -0.989 1.00 0.00 C ATOM 0 H ALA A 91 -3.261 -14.928 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.416 -15.208 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.787 -14.705 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.020 -13.410 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.112 -14.570 -1.766 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.142 -17.540 -0.215 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.482 -18.949 -0.057 1.00 0.00 C ATOM 1438 C GLU A 92 -4.994 -19.151 -0.088 1.00 0.00 C ATOM 1439 O GLU A 92 -5.491 -20.109 -0.680 1.00 0.00 O ATOM 1440 CB GLU A 92 -2.911 -19.489 1.256 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.423 -19.229 1.426 1.00 0.00 C ATOM 1442 CD GLU A 92 -0.794 -20.112 2.486 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -0.878 -19.756 3.680 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.218 -21.158 2.122 1.00 0.00 O ATOM 0 H GLU A 92 -2.528 -17.170 0.511 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.043 -19.498 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.448 -19.036 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.092 -20.563 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.918 -19.394 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.269 -18.183 1.691 1.00 0.00 H new ATOM 1451 N SER A 93 -5.720 -18.242 0.555 1.00 0.00 N ATOM 1452 CA SER A 93 -7.175 -18.322 0.605 1.00 0.00 C ATOM 1453 C SER A 93 -7.809 -17.190 -0.198 1.00 0.00 C ATOM 1454 O SER A 93 -7.249 -16.102 -0.336 1.00 0.00 O ATOM 1455 CB SER A 93 -7.660 -18.267 2.055 1.00 0.00 C ATOM 1456 OG SER A 93 -7.651 -19.556 2.644 1.00 0.00 O ATOM 0 H SER A 93 -5.324 -17.442 1.048 1.00 0.00 H new ATOM 0 HA SER A 93 -7.478 -19.272 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.022 -17.596 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.669 -17.855 2.089 1.00 0.00 H new ATOM 0 HG SER A 93 -7.963 -19.494 3.571 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.008 -17.450 -0.741 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.746 -16.467 -1.539 1.00 0.00 C ATOM 1464 C PRO A 94 -10.271 -15.311 -0.695 1.00 0.00 C ATOM 1465 O PRO A 94 -10.408 -14.189 -1.180 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.908 -17.279 -2.116 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.101 -18.400 -1.154 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.735 -18.725 -0.617 1.00 0.00 C ATOM 0 HA PRO A 94 -9.116 -16.002 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.810 -16.673 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.675 -17.650 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.778 -18.112 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.542 -19.266 -1.647 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.780 -19.063 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.256 -19.518 -1.191 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.562 -15.594 0.571 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.072 -14.576 1.482 1.00 0.00 C ATOM 1478 C GLU A 95 -10.000 -13.534 1.789 1.00 0.00 C ATOM 1479 O GLU A 95 -10.310 -12.391 2.125 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.558 -15.221 2.782 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.480 -16.000 3.516 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.843 -16.280 4.961 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -10.539 -15.431 5.825 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -11.433 -17.348 5.228 1.00 0.00 O ATOM 0 H GLU A 95 -10.453 -16.518 0.988 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.911 -14.077 0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.945 -14.443 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.388 -15.890 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.304 -16.944 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.546 -15.440 3.482 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.739 -13.938 1.671 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.622 -13.039 1.937 1.00 0.00 C ATOM 1493 C GLU A 96 -7.352 -12.137 0.737 1.00 0.00 C ATOM 1494 O GLU A 96 -7.288 -10.915 0.868 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.365 -13.841 2.280 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.234 -14.166 3.758 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.342 -15.365 4.015 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.108 -15.224 3.885 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -5.877 -16.443 4.346 1.00 0.00 O ATOM 0 H GLU A 96 -8.466 -14.881 1.393 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.888 -12.412 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.371 -14.771 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.487 -13.279 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.831 -13.299 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.223 -14.358 4.173 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.194 -12.749 -0.433 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.929 -12.001 -1.656 1.00 0.00 C ATOM 1508 C GLN A 97 -7.741 -10.710 -1.691 1.00 0.00 C ATOM 1509 O GLN A 97 -7.182 -9.616 -1.762 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.255 -12.856 -2.882 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.092 -12.117 -4.200 1.00 0.00 C ATOM 1512 CD GLN A 97 -7.975 -12.677 -5.297 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -8.943 -13.389 -5.028 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.646 -12.359 -6.544 1.00 0.00 N ATOM 0 H GLN A 97 -7.245 -13.760 -0.559 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.870 -11.743 -1.673 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.609 -13.734 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.281 -13.216 -2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.327 -11.063 -4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.050 -12.170 -4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.836 -11.766 -6.722 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.204 -12.708 -7.323 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.063 -10.846 -1.642 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.950 -9.690 -1.670 1.00 0.00 C ATOM 1525 C GLU A 98 -9.655 -8.749 -0.505 1.00 0.00 C ATOM 1526 O GLU A 98 -9.554 -7.536 -0.684 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.412 -10.140 -1.619 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.859 -10.897 -2.858 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.128 -9.982 -4.037 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.246 -9.431 -4.117 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -11.220 -9.816 -4.878 1.00 0.00 O ATOM 0 H GLU A 98 -9.542 -11.745 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.775 -9.152 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.558 -10.773 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.048 -9.265 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.092 -11.621 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.763 -11.461 -2.628 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.520 -9.319 0.688 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.235 -8.533 1.882 1.00 0.00 C ATOM 1540 C ALA A 99 -8.024 -7.631 1.669 1.00 0.00 C ATOM 1541 O ALA A 99 -8.044 -6.454 2.028 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.011 -9.449 3.076 1.00 0.00 C ATOM 0 H ALA A 99 -9.603 -10.322 0.853 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.097 -7.897 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.799 -8.848 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.906 -10.047 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.167 -10.109 2.875 1.00 0.00 H new ATOM 1548 N TRP A 100 -6.971 -8.191 1.085 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.749 -7.437 0.826 1.00 0.00 C ATOM 1550 C TRP A 100 -5.978 -6.384 -0.252 1.00 0.00 C ATOM 1551 O TRP A 100 -5.724 -5.198 -0.039 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.622 -8.381 0.404 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.916 -9.018 1.562 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.130 -10.269 2.065 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.882 -8.433 2.362 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.292 -10.498 3.129 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.516 -9.387 3.331 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.229 -7.198 2.353 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.528 -9.142 4.281 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.249 -6.955 3.296 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.905 -7.924 4.248 1.00 0.00 C ATOM 0 H TRP A 100 -6.938 -9.164 0.782 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.462 -6.930 1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.032 -9.162 -0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.898 -7.827 -0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.852 -10.975 1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.254 -11.356 3.679 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.486 -6.446 1.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.263 -9.886 5.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.740 -6.003 3.299 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.133 -7.705 4.970 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.460 -6.824 -1.410 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.724 -5.918 -2.521 1.00 0.00 C ATOM 1574 C ILE A 101 -7.403 -4.640 -2.038 1.00 0.00 C ATOM 1575 O ILE A 101 -7.179 -3.562 -2.587 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.608 -6.583 -3.592 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.814 -7.647 -4.351 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.155 -5.537 -4.552 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.642 -8.419 -5.355 1.00 0.00 C ATOM 0 H ILE A 101 -6.675 -7.802 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.759 -5.670 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.449 -7.069 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -5.983 -7.168 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.382 -8.346 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.778 -6.023 -5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.752 -4.812 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.327 -5.025 -5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.013 -9.156 -5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.457 -8.927 -4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.053 -7.731 -6.094 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.233 -4.770 -1.008 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.944 -3.626 -0.451 1.00 0.00 C ATOM 1593 C GLN A 102 -8.085 -2.899 0.578 1.00 0.00 C ATOM 1594 O GLN A 102 -7.907 -1.684 0.506 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.257 -4.077 0.190 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.264 -4.626 -0.807 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.138 -3.544 -1.411 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -11.751 -2.885 -2.376 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.324 -3.356 -0.844 1.00 0.00 N ATOM 0 H GLN A 102 -8.429 -5.656 -0.543 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.164 -2.936 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.043 -4.842 0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.703 -3.233 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.733 -5.146 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.896 -5.363 -0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.604 -3.926 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.955 -2.642 -1.207 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.554 -3.653 1.536 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.712 -3.081 2.579 1.00 0.00 C ATOM 1610 C ALA A 103 -5.576 -2.259 1.979 1.00 0.00 C ATOM 1611 O ALA A 103 -5.523 -1.041 2.148 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.156 -4.181 3.471 1.00 0.00 C ATOM 0 H ALA A 103 -7.692 -4.661 1.611 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.328 -2.415 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.529 -3.739 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.979 -4.723 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.561 -4.870 2.871 1.00 0.00 H new ATOM 1618 N MET A 104 -4.670 -2.933 1.280 1.00 0.00 N ATOM 1619 CA MET A 104 -3.535 -2.264 0.654 1.00 0.00 C ATOM 1620 C MET A 104 -3.998 -1.351 -0.476 1.00 0.00 C ATOM 1621 O MET A 104 -3.341 -0.361 -0.796 1.00 0.00 O ATOM 1622 CB MET A 104 -2.540 -3.295 0.117 1.00 0.00 C ATOM 1623 CG MET A 104 -2.973 -3.932 -1.193 1.00 0.00 C ATOM 1624 SD MET A 104 -2.357 -5.616 -1.383 1.00 0.00 S ATOM 1625 CE MET A 104 -0.693 -5.442 -0.744 1.00 0.00 C ATOM 0 H MET A 104 -4.699 -3.942 1.132 1.00 0.00 H new ATOM 0 HA MET A 104 -3.042 -1.654 1.411 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.572 -2.814 -0.025 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.401 -4.077 0.863 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.062 -3.939 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 104 -2.617 -3.323 -2.024 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.067 -6.244 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.284 -4.480 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.714 -5.496 0.344 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.134 -1.690 -1.078 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.664 -0.890 -2.166 1.00 0.00 C ATOM 1637 C GLY A 105 -6.028 0.515 -1.729 1.00 0.00 C ATOM 1638 O GLY A 105 -5.662 1.490 -2.386 1.00 0.00 O ATOM 0 H GLY A 105 -5.696 -2.504 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.927 -0.838 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.547 -1.380 -2.576 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.751 0.620 -0.619 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.166 1.917 -0.098 1.00 0.00 C ATOM 1644 C GLU A 106 -5.956 2.803 0.182 1.00 0.00 C ATOM 1645 O GLU A 106 -5.951 3.988 -0.152 1.00 0.00 O ATOM 1646 CB GLU A 106 -7.987 1.738 1.181 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.147 1.733 2.448 1.00 0.00 C ATOM 1648 CD GLU A 106 -7.968 1.448 3.690 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.170 0.257 4.009 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.408 2.416 4.345 1.00 0.00 O ATOM 0 H GLU A 106 -7.061 -0.177 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.784 2.403 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.722 2.540 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.541 0.801 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.362 0.983 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.654 2.699 2.557 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.932 2.220 0.796 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.715 2.956 1.119 1.00 0.00 C ATOM 1659 C ALA A 107 -3.213 3.742 -0.087 1.00 0.00 C ATOM 1660 O ALA A 107 -2.650 4.826 0.058 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.639 2.002 1.616 1.00 0.00 C ATOM 0 H ALA A 107 -4.920 1.240 1.080 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.948 3.668 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.736 2.564 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.993 1.489 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.417 1.269 0.841 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.419 3.187 -1.277 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.988 3.838 -2.508 1.00 0.00 C ATOM 1669 C ALA A 108 -3.896 5.013 -2.855 1.00 0.00 C ATOM 1670 O ALA A 108 -3.423 6.080 -3.247 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.958 2.835 -3.652 1.00 0.00 C ATOM 0 H ALA A 108 -3.882 2.288 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.981 4.225 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.634 3.334 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.263 2.031 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.955 2.421 -3.799 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.201 4.809 -2.710 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.175 5.852 -3.010 1.00 0.00 C ATOM 1679 C ARG A 109 -5.728 7.194 -2.438 1.00 0.00 C ATOM 1680 O ARG A 109 -5.046 7.249 -1.415 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.546 5.476 -2.447 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.414 4.700 -3.424 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.593 4.044 -2.722 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.636 5.010 -2.384 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.482 5.518 -3.273 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.409 5.155 -4.546 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.404 6.392 -2.888 1.00 0.00 N ATOM 0 H ARG A 109 -5.608 3.932 -2.387 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.248 5.945 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.408 4.880 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.070 6.385 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.779 5.372 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.813 3.937 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.011 3.269 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.246 3.552 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.719 5.310 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.702 4.484 -4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.060 5.547 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.463 6.674 -1.909 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.054 6.782 -3.571 1.00 0.00 H new