USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 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 103 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 SER OG : rot 73:sc= 1.21 USER MOD Single : A 16 CYS SG : rot 11:sc= 1.25 USER MOD Single : A 17 GLN : amide:sc= 0.375 K(o=0.38,f=-0.43) USER MOD Single : A 19 GLN : amide:sc= -0.0794 K(o=-0.079,f=-0.93) USER MOD Single : A 20 THR OG1 : rot -85:sc= 1.1 USER MOD Single : A 23 TYR OH : rot 30:sc= -1.96 USER MOD Single : A 27 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.029) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 70:sc= -1.79 USER MOD Single : A 42 CYS SG : rot 60:sc= -5.08! USER MOD Single : A 46 TYR OH : rot 82:sc= 0.74 USER MOD Single : A 49 GLN : amide:sc= -2.79 X(o=-2.8,f=-2.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.54) USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.01 USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00145) USER MOD Single : A 76 ASN : amide:sc= -2.18! C(o=-2.2!,f=-3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 24:sc= -3.05! USER MOD Single : A 104 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-0.35) USER MOD Single : A 106 HIS : no HD1:sc= -7.98! C(o=-8!,f=-5.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.733 -13.657 -3.438 1.00 0.00 N ATOM 113 CA GLU A 11 -0.282 -13.560 -3.542 1.00 0.00 C ATOM 114 C GLU A 11 0.189 -12.137 -3.256 1.00 0.00 C ATOM 115 O GLU A 11 1.271 -11.928 -2.706 1.00 0.00 O ATOM 116 CB GLU A 11 0.183 -13.993 -4.934 1.00 0.00 C ATOM 117 CG GLU A 11 1.680 -13.848 -5.147 1.00 0.00 C ATOM 118 CD GLU A 11 2.485 -14.845 -4.336 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.558 -14.682 -3.100 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.040 -15.788 -4.937 1.00 0.00 O ATOM 0 HA GLU A 11 0.155 -14.226 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.099 -15.033 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.341 -13.401 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.907 -13.979 -6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.985 -12.837 -4.878 1.00 0.00 H new ATOM 127 N LEU A 12 -0.630 -11.162 -3.633 1.00 0.00 N ATOM 128 CA LEU A 12 -0.299 -9.758 -3.418 1.00 0.00 C ATOM 129 C LEU A 12 -0.321 -9.414 -1.932 1.00 0.00 C ATOM 130 O LEU A 12 0.548 -8.694 -1.438 1.00 0.00 O ATOM 131 CB LEU A 12 -1.278 -8.860 -4.176 1.00 0.00 C ATOM 132 CG LEU A 12 -1.351 -7.404 -3.714 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.195 -6.603 -4.292 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.683 -6.785 -4.109 1.00 0.00 C ATOM 0 H LEU A 12 -1.529 -11.318 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 12 0.709 -9.586 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.007 -8.872 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.274 -9.295 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.273 -7.383 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.263 -5.569 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.749 -7.033 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.241 -6.631 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.717 -5.749 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.792 -6.818 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.496 -7.344 -3.645 1.00 0.00 H new ATOM 146 N LEU A 13 -1.318 -9.934 -1.226 1.00 0.00 N ATOM 147 CA LEU A 13 -1.452 -9.684 0.206 1.00 0.00 C ATOM 148 C LEU A 13 -0.220 -10.170 0.962 1.00 0.00 C ATOM 149 O LEU A 13 0.320 -9.461 1.811 1.00 0.00 O ATOM 150 CB LEU A 13 -2.704 -10.375 0.748 1.00 0.00 C ATOM 151 CG LEU A 13 -2.709 -10.672 2.249 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.003 -9.408 3.042 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.727 -11.756 2.574 1.00 0.00 C ATOM 0 H LEU A 13 -2.045 -10.531 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.545 -8.608 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.568 -9.751 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.838 -11.314 0.211 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.720 -11.032 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.003 -9.638 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.238 -8.661 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.980 -9.018 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.717 -11.955 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.721 -11.423 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.473 -12.668 2.034 1.00 0.00 H new ATOM 165 N ARG A 14 0.222 -11.383 0.645 1.00 0.00 N ATOM 166 CA ARG A 14 1.391 -11.964 1.293 1.00 0.00 C ATOM 167 C ARG A 14 2.600 -11.043 1.161 1.00 0.00 C ATOM 168 O ARG A 14 3.314 -10.795 2.132 1.00 0.00 O ATOM 169 CB ARG A 14 1.710 -13.333 0.688 1.00 0.00 C ATOM 170 CG ARG A 14 0.526 -14.287 0.683 1.00 0.00 C ATOM 171 CD ARG A 14 0.249 -14.837 2.073 1.00 0.00 C ATOM 172 NE ARG A 14 1.292 -15.760 2.514 1.00 0.00 N ATOM 173 CZ ARG A 14 1.557 -16.014 3.790 1.00 0.00 C ATOM 174 NH1 ARG A 14 0.858 -15.418 4.747 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.521 -16.866 4.112 1.00 0.00 N ATOM 0 H ARG A 14 -0.212 -11.982 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 14 1.164 -12.087 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.060 -13.196 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.529 -13.786 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.359 -13.769 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.724 -15.111 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.172 -14.012 2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.713 -15.349 2.075 1.00 0.00 H new ATOM 0 HE ARG A 14 1.847 -16.235 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.115 -14.763 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.063 -15.615 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.060 -17.327 3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.723 -17.060 5.093 1.00 0.00 H new ATOM 189 N TRP A 15 2.824 -10.540 -0.049 1.00 0.00 N ATOM 190 CA TRP A 15 3.947 -9.647 -0.308 1.00 0.00 C ATOM 191 C TRP A 15 3.798 -8.344 0.469 1.00 0.00 C ATOM 192 O TRP A 15 4.734 -7.896 1.133 1.00 0.00 O ATOM 193 CB TRP A 15 4.055 -9.353 -1.806 1.00 0.00 C ATOM 194 CG TRP A 15 5.016 -8.248 -2.126 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.379 -8.312 -2.089 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.686 -6.915 -2.530 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.916 -7.098 -2.446 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.898 -6.225 -2.722 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.483 -6.237 -2.751 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.941 -4.892 -3.123 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.527 -4.914 -3.148 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.749 -4.254 -3.331 1.00 0.00 C ATOM 0 H TRP A 15 2.243 -10.736 -0.864 1.00 0.00 H new ATOM 0 HA TRP A 15 4.858 -10.143 0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.368 -10.259 -2.325 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.069 -9.090 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.951 -9.187 -1.819 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.912 -6.882 -2.497 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.536 -6.738 -2.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.882 -4.380 -3.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.604 -4.380 -3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.750 -3.220 -3.643 1.00 0.00 H new ATOM 213 N CYS A 16 2.618 -7.741 0.383 1.00 0.00 N ATOM 214 CA CYS A 16 2.347 -6.488 1.079 1.00 0.00 C ATOM 215 C CYS A 16 2.534 -6.650 2.584 1.00 0.00 C ATOM 216 O CYS A 16 2.958 -5.721 3.270 1.00 0.00 O ATOM 217 CB CYS A 16 0.926 -6.009 0.778 1.00 0.00 C ATOM 218 SG CYS A 16 0.727 -5.271 -0.861 1.00 0.00 S ATOM 0 H CYS A 16 1.833 -8.099 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 16 3.057 -5.742 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.242 -6.853 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.633 -5.278 1.532 1.00 0.00 H new ATOM 0 HG CYS A 16 1.794 -5.494 -1.570 1.00 0.00 H new ATOM 224 N GLN A 17 2.212 -7.836 3.091 1.00 0.00 N ATOM 225 CA GLN A 17 2.341 -8.120 4.514 1.00 0.00 C ATOM 226 C GLN A 17 3.789 -7.966 4.970 1.00 0.00 C ATOM 227 O GLN A 17 4.055 -7.464 6.061 1.00 0.00 O ATOM 228 CB GLN A 17 1.844 -9.533 4.822 1.00 0.00 C ATOM 229 CG GLN A 17 0.333 -9.633 4.950 1.00 0.00 C ATOM 230 CD GLN A 17 -0.118 -10.957 5.533 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.604 -11.953 5.473 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.318 -10.976 6.102 1.00 0.00 N ATOM 0 H GLN A 17 1.860 -8.616 2.536 1.00 0.00 H new ATOM 0 HA GLN A 17 1.729 -7.402 5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.179 -10.207 4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.302 -9.876 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.029 -8.821 5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.120 -9.500 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.883 -10.127 6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.675 -11.839 6.512 1.00 0.00 H new ATOM 241 N GLU A 18 4.720 -8.403 4.127 1.00 0.00 N ATOM 242 CA GLU A 18 6.140 -8.314 4.445 1.00 0.00 C ATOM 243 C GLU A 18 6.644 -6.883 4.289 1.00 0.00 C ATOM 244 O GLU A 18 7.427 -6.398 5.105 1.00 0.00 O ATOM 245 CB GLU A 18 6.946 -9.252 3.543 1.00 0.00 C ATOM 246 CG GLU A 18 6.803 -10.720 3.909 1.00 0.00 C ATOM 247 CD GLU A 18 8.035 -11.531 3.558 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.277 -11.752 2.353 1.00 0.00 O ATOM 249 OE2 GLU A 18 8.757 -11.946 4.489 1.00 0.00 O ATOM 0 H GLU A 18 4.516 -8.822 3.220 1.00 0.00 H new ATOM 0 HA GLU A 18 6.274 -8.616 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.628 -9.111 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.999 -8.975 3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.608 -10.807 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.939 -11.137 3.392 1.00 0.00 H new ATOM 256 N GLN A 19 6.188 -6.213 3.235 1.00 0.00 N ATOM 257 CA GLN A 19 6.594 -4.837 2.971 1.00 0.00 C ATOM 258 C GLN A 19 6.072 -3.898 4.054 1.00 0.00 C ATOM 259 O GLN A 19 6.846 -3.204 4.714 1.00 0.00 O ATOM 260 CB GLN A 19 6.085 -4.387 1.601 1.00 0.00 C ATOM 261 CG GLN A 19 6.543 -5.280 0.459 1.00 0.00 C ATOM 262 CD GLN A 19 8.038 -5.532 0.479 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.821 -4.661 0.858 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.442 -6.729 0.069 1.00 0.00 N ATOM 0 H GLN A 19 5.538 -6.600 2.551 1.00 0.00 H new ATOM 0 HA GLN A 19 7.683 -4.799 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.995 -4.362 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.424 -3.368 1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.017 -6.233 0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.269 -4.819 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.758 -7.421 -0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.436 -6.956 0.060 1.00 0.00 H new ATOM 273 N THR A 20 4.755 -3.881 4.231 1.00 0.00 N ATOM 274 CA THR A 20 4.129 -3.027 5.232 1.00 0.00 C ATOM 275 C THR A 20 4.622 -3.369 6.633 1.00 0.00 C ATOM 276 O THR A 20 4.471 -2.581 7.566 1.00 0.00 O ATOM 277 CB THR A 20 2.595 -3.151 5.196 1.00 0.00 C ATOM 278 OG1 THR A 20 2.210 -4.523 5.335 1.00 0.00 O ATOM 279 CG2 THR A 20 2.037 -2.591 3.896 1.00 0.00 C ATOM 0 H THR A 20 4.101 -4.450 3.693 1.00 0.00 H new ATOM 0 HA THR A 20 4.409 -2.001 4.992 1.00 0.00 H new ATOM 0 HB THR A 20 2.187 -2.575 6.026 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.235 -4.960 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.951 -2.690 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.306 -1.538 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.453 -3.143 3.054 1.00 0.00 H new ATOM 287 N ALA A 21 5.214 -4.551 6.775 1.00 0.00 N ATOM 288 CA ALA A 21 5.732 -4.997 8.063 1.00 0.00 C ATOM 289 C ALA A 21 6.782 -4.029 8.596 1.00 0.00 C ATOM 290 O ALA A 21 7.418 -3.305 7.833 1.00 0.00 O ATOM 291 CB ALA A 21 6.315 -6.397 7.941 1.00 0.00 C ATOM 0 H ALA A 21 5.347 -5.217 6.014 1.00 0.00 H new ATOM 0 HA ALA A 21 4.904 -5.021 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.698 -6.717 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.538 -7.087 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.127 -6.391 7.214 1.00 0.00 H new ATOM 297 N GLY A 22 6.957 -4.022 9.914 1.00 0.00 N ATOM 298 CA GLY A 22 7.931 -3.138 10.528 1.00 0.00 C ATOM 299 C GLY A 22 7.313 -1.842 11.013 1.00 0.00 C ATOM 300 O GLY A 22 7.698 -1.314 12.057 1.00 0.00 O ATOM 0 H GLY A 22 6.442 -4.612 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.402 -3.649 11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.719 -2.914 9.808 1.00 0.00 H new ATOM 304 N TYR A 23 6.354 -1.325 10.253 1.00 0.00 N ATOM 305 CA TYR A 23 5.684 -0.080 10.608 1.00 0.00 C ATOM 306 C TYR A 23 4.912 -0.230 11.915 1.00 0.00 C ATOM 307 O TYR A 23 4.022 -1.072 12.047 1.00 0.00 O ATOM 308 CB TYR A 23 4.735 0.351 9.488 1.00 0.00 C ATOM 309 CG TYR A 23 4.354 1.813 9.547 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.568 2.306 10.581 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.781 2.702 8.568 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.217 3.641 10.637 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.436 4.040 8.618 1.00 0.00 C ATOM 314 CZ TYR A 23 3.653 4.503 9.655 1.00 0.00 C ATOM 315 OH TYR A 23 3.307 5.834 9.708 1.00 0.00 O ATOM 0 H TYR A 23 6.023 -1.749 9.387 1.00 0.00 H new ATOM 0 HA TYR A 23 6.446 0.687 10.744 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.204 0.145 8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.830 -0.254 9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.226 1.634 11.354 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.393 2.342 7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.604 4.007 11.447 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.777 4.718 7.850 1.00 0.00 H new ATOM 0 HH TYR A 23 3.196 6.106 10.643 1.00 0.00 H new ATOM 325 N PRO A 24 5.258 0.605 12.906 1.00 0.00 N ATOM 326 CA PRO A 24 4.610 0.586 14.221 1.00 0.00 C ATOM 327 C PRO A 24 3.172 1.091 14.165 1.00 0.00 C ATOM 328 O PRO A 24 2.927 2.297 14.151 1.00 0.00 O ATOM 329 CB PRO A 24 5.476 1.531 15.058 1.00 0.00 C ATOM 330 CG PRO A 24 6.103 2.448 14.065 1.00 0.00 C ATOM 331 CD PRO A 24 6.309 1.632 12.818 1.00 0.00 C ATOM 0 HA PRO A 24 4.542 -0.423 14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.875 2.082 15.782 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.230 0.982 15.622 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.461 3.307 13.868 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.051 2.837 14.437 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.204 2.239 11.919 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.304 1.188 12.788 1.00 0.00 H new ATOM 339 N GLY A 25 2.223 0.161 14.133 1.00 0.00 N ATOM 340 CA GLY A 25 0.821 0.532 14.080 1.00 0.00 C ATOM 341 C GLY A 25 0.169 0.150 12.765 1.00 0.00 C ATOM 342 O GLY A 25 -0.741 0.832 12.294 1.00 0.00 O ATOM 0 H GLY A 25 2.400 -0.843 14.143 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.289 0.049 14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.727 1.608 14.230 1.00 0.00 H new ATOM 346 N VAL A 26 0.637 -0.943 12.170 1.00 0.00 N ATOM 347 CA VAL A 26 0.095 -1.415 10.901 1.00 0.00 C ATOM 348 C VAL A 26 0.008 -2.936 10.872 1.00 0.00 C ATOM 349 O VAL A 26 1.007 -3.630 11.064 1.00 0.00 O ATOM 350 CB VAL A 26 0.950 -0.937 9.713 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.399 -1.481 8.405 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.017 0.582 9.681 1.00 0.00 C ATOM 0 H VAL A 26 1.390 -1.518 12.547 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.907 -0.996 10.809 1.00 0.00 H new ATOM 0 HB VAL A 26 1.963 -1.320 9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.016 -1.132 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.409 -2.571 8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.624 -1.131 8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.625 0.902 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.011 0.989 9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.463 0.946 10.607 1.00 0.00 H new ATOM 362 N HIS A 27 -1.194 -3.450 10.630 1.00 0.00 N ATOM 363 CA HIS A 27 -1.412 -4.891 10.574 1.00 0.00 C ATOM 364 C HIS A 27 -2.257 -5.266 9.360 1.00 0.00 C ATOM 365 O HIS A 27 -3.473 -5.424 9.463 1.00 0.00 O ATOM 366 CB HIS A 27 -2.094 -5.375 11.854 1.00 0.00 C ATOM 367 CG HIS A 27 -3.171 -4.456 12.342 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.967 -3.512 13.327 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.469 -4.339 11.976 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.092 -2.856 13.545 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.019 -3.339 12.738 1.00 0.00 N ATOM 0 H HIS A 27 -2.031 -2.890 10.470 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.441 -5.377 10.483 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.522 -6.362 11.677 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.343 -5.489 12.636 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.977 -4.924 11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.230 -2.060 14.261 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.987 -3.020 12.689 1.00 0.00 H new ATOM 380 N VAL A 28 -1.604 -5.405 8.211 1.00 0.00 N ATOM 381 CA VAL A 28 -2.295 -5.762 6.977 1.00 0.00 C ATOM 382 C VAL A 28 -2.757 -7.214 7.006 1.00 0.00 C ATOM 383 O VAL A 28 -2.058 -8.109 6.530 1.00 0.00 O ATOM 384 CB VAL A 28 -1.395 -5.546 5.747 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.107 -5.990 4.478 1.00 0.00 C ATOM 386 CG2 VAL A 28 -0.971 -4.088 5.647 1.00 0.00 C ATOM 0 H VAL A 28 -0.597 -5.276 8.108 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.164 -5.109 6.901 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.499 -6.155 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.455 -5.829 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.356 -7.049 4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.022 -5.410 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.335 -3.953 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.855 -3.458 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.418 -3.807 6.544 1.00 0.00 H new ATOM 396 N SER A 29 -3.940 -7.443 7.567 1.00 0.00 N ATOM 397 CA SER A 29 -4.495 -8.787 7.662 1.00 0.00 C ATOM 398 C SER A 29 -5.223 -9.166 6.376 1.00 0.00 C ATOM 399 O SER A 29 -5.291 -10.341 6.011 1.00 0.00 O ATOM 400 CB SER A 29 -5.452 -8.885 8.852 1.00 0.00 C ATOM 401 OG SER A 29 -5.756 -10.236 9.151 1.00 0.00 O ATOM 0 H SER A 29 -4.533 -6.714 7.963 1.00 0.00 H new ATOM 0 HA SER A 29 -3.670 -9.484 7.811 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.004 -8.408 9.724 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.371 -8.343 8.629 1.00 0.00 H new ATOM 0 HG SER A 29 -6.368 -10.272 9.916 1.00 0.00 H new ATOM 407 N ASP A 30 -5.767 -8.164 5.695 1.00 0.00 N ATOM 408 CA ASP A 30 -6.490 -8.389 4.449 1.00 0.00 C ATOM 409 C ASP A 30 -6.621 -7.094 3.655 1.00 0.00 C ATOM 410 O ASP A 30 -6.235 -6.023 4.124 1.00 0.00 O ATOM 411 CB ASP A 30 -7.877 -8.969 4.737 1.00 0.00 C ATOM 412 CG ASP A 30 -8.367 -9.875 3.625 1.00 0.00 C ATOM 413 OD1 ASP A 30 -7.593 -10.753 3.191 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.526 -9.706 3.192 1.00 0.00 O ATOM 0 H ASP A 30 -5.721 -7.187 5.985 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.923 -9.103 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.847 -9.529 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.587 -8.154 4.877 1.00 0.00 H new ATOM 419 N LEU A 31 -7.167 -7.199 2.447 1.00 0.00 N ATOM 420 CA LEU A 31 -7.348 -6.036 1.586 1.00 0.00 C ATOM 421 C LEU A 31 -8.789 -5.540 1.637 1.00 0.00 C ATOM 422 O LEU A 31 -9.343 -5.105 0.628 1.00 0.00 O ATOM 423 CB LEU A 31 -6.966 -6.379 0.146 1.00 0.00 C ATOM 424 CG LEU A 31 -5.468 -6.451 -0.152 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.876 -7.738 0.401 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.216 -6.348 -1.649 1.00 0.00 C ATOM 0 H LEU A 31 -7.492 -8.077 2.043 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.696 -5.241 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.413 -7.340 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.412 -5.635 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.979 -5.609 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.809 -7.772 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.024 -7.772 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.370 -8.593 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.145 -6.401 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.718 -7.170 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.605 -5.399 -2.019 1.00 0.00 H new ATOM 438 N SER A 32 -9.391 -5.606 2.821 1.00 0.00 N ATOM 439 CA SER A 32 -10.770 -5.164 3.004 1.00 0.00 C ATOM 440 C SER A 32 -10.819 -3.826 3.735 1.00 0.00 C ATOM 441 O SER A 32 -11.141 -2.795 3.145 1.00 0.00 O ATOM 442 CB SER A 32 -11.564 -6.214 3.783 1.00 0.00 C ATOM 443 OG SER A 32 -12.011 -7.252 2.929 1.00 0.00 O ATOM 0 H SER A 32 -8.946 -5.961 3.667 1.00 0.00 H new ATOM 0 HA SER A 32 -11.219 -5.036 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.941 -6.632 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.420 -5.743 4.266 1.00 0.00 H new ATOM 0 HG SER A 32 -12.514 -7.911 3.451 1.00 0.00 H new ATOM 449 N SER A 33 -10.497 -3.852 5.025 1.00 0.00 N ATOM 450 CA SER A 33 -10.508 -2.642 5.839 1.00 0.00 C ATOM 451 C SER A 33 -9.108 -2.320 6.353 1.00 0.00 C ATOM 452 O SER A 33 -8.790 -1.167 6.640 1.00 0.00 O ATOM 453 CB SER A 33 -11.472 -2.803 7.017 1.00 0.00 C ATOM 454 OG SER A 33 -12.787 -2.420 6.655 1.00 0.00 O ATOM 0 H SER A 33 -10.226 -4.697 5.528 1.00 0.00 H new ATOM 0 HA SER A 33 -10.845 -1.816 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.471 -3.840 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.131 -2.196 7.856 1.00 0.00 H new ATOM 0 HG SER A 33 -13.384 -2.534 7.424 1.00 0.00 H new ATOM 460 N SER A 34 -8.275 -3.350 6.466 1.00 0.00 N ATOM 461 CA SER A 34 -6.910 -3.180 6.950 1.00 0.00 C ATOM 462 C SER A 34 -6.214 -2.034 6.219 1.00 0.00 C ATOM 463 O SER A 34 -5.288 -1.419 6.748 1.00 0.00 O ATOM 464 CB SER A 34 -6.116 -4.474 6.765 1.00 0.00 C ATOM 465 OG SER A 34 -5.141 -4.624 7.784 1.00 0.00 O ATOM 0 H SER A 34 -8.522 -4.311 6.229 1.00 0.00 H new ATOM 0 HA SER A 34 -6.954 -2.938 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.795 -5.326 6.779 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.630 -4.470 5.790 1.00 0.00 H new ATOM 0 HG SER A 34 -5.586 -4.808 8.638 1.00 0.00 H new ATOM 471 N TRP A 35 -6.668 -1.756 5.003 1.00 0.00 N ATOM 472 CA TRP A 35 -6.090 -0.685 4.199 1.00 0.00 C ATOM 473 C TRP A 35 -6.958 0.568 4.254 1.00 0.00 C ATOM 474 O TRP A 35 -6.500 1.665 3.942 1.00 0.00 O ATOM 475 CB TRP A 35 -5.924 -1.141 2.749 1.00 0.00 C ATOM 476 CG TRP A 35 -5.010 -2.319 2.598 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.271 -3.610 2.959 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.689 -2.314 2.047 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.190 -4.408 2.666 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.207 -3.637 2.105 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.865 -1.321 1.508 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.941 -3.989 1.646 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.608 -1.673 1.053 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.156 -2.997 1.124 1.00 0.00 C ATOM 0 H TRP A 35 -7.434 -2.256 4.552 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.110 -0.444 4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.902 -1.395 2.341 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.537 -0.312 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.191 -3.954 3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.130 -5.412 2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.205 -0.298 1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.591 -5.009 1.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.963 -0.914 0.635 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.169 -3.240 0.760 1.00 0.00 H new ATOM 495 N ALA A 36 -8.213 0.395 4.654 1.00 0.00 N ATOM 496 CA ALA A 36 -9.145 1.512 4.753 1.00 0.00 C ATOM 497 C ALA A 36 -8.931 2.293 6.045 1.00 0.00 C ATOM 498 O ALA A 36 -9.889 2.680 6.714 1.00 0.00 O ATOM 499 CB ALA A 36 -10.580 1.012 4.668 1.00 0.00 C ATOM 0 H ALA A 36 -8.608 -0.508 4.915 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.956 2.185 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.265 1.857 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.733 0.505 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.772 0.316 5.484 1.00 0.00 H new ATOM 505 N ASP A 37 -7.668 2.520 6.390 1.00 0.00 N ATOM 506 CA ASP A 37 -7.327 3.257 7.603 1.00 0.00 C ATOM 507 C ASP A 37 -6.397 4.423 7.287 1.00 0.00 C ATOM 508 O ASP A 37 -6.468 5.476 7.918 1.00 0.00 O ATOM 509 CB ASP A 37 -6.670 2.325 8.622 1.00 0.00 C ATOM 510 CG ASP A 37 -5.218 2.039 8.294 1.00 0.00 C ATOM 511 OD1 ASP A 37 -4.933 1.665 7.137 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.366 2.191 9.194 1.00 0.00 O ATOM 0 H ASP A 37 -6.864 2.205 5.848 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.248 3.656 8.028 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.734 2.773 9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.222 1.386 8.660 1.00 0.00 H new ATOM 517 N GLY A 38 -5.521 4.227 6.304 1.00 0.00 N ATOM 518 CA GLY A 38 -4.589 5.270 5.924 1.00 0.00 C ATOM 519 C GLY A 38 -3.143 4.848 6.099 1.00 0.00 C ATOM 520 O GLY A 38 -2.374 4.823 5.137 1.00 0.00 O ATOM 0 H GLY A 38 -5.442 3.364 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.761 5.545 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.780 6.160 6.524 1.00 0.00 H new ATOM 524 N LEU A 39 -2.771 4.517 7.331 1.00 0.00 N ATOM 525 CA LEU A 39 -1.407 4.095 7.630 1.00 0.00 C ATOM 526 C LEU A 39 -0.970 2.965 6.703 1.00 0.00 C ATOM 527 O LEU A 39 0.108 3.016 6.113 1.00 0.00 O ATOM 528 CB LEU A 39 -1.299 3.643 9.088 1.00 0.00 C ATOM 529 CG LEU A 39 -0.943 4.730 10.102 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.020 4.183 11.520 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.445 5.287 9.821 1.00 0.00 C ATOM 0 H LEU A 39 -3.394 4.533 8.138 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.747 4.948 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.250 3.198 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.547 2.857 9.149 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.666 5.540 10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.763 4.971 12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.032 3.831 11.720 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.320 3.355 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.682 6.060 10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.180 4.485 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.469 5.716 8.819 1.00 0.00 H new ATOM 543 N ALA A 40 -1.816 1.949 6.577 1.00 0.00 N ATOM 544 CA ALA A 40 -1.519 0.809 5.719 1.00 0.00 C ATOM 545 C ALA A 40 -0.727 1.240 4.489 1.00 0.00 C ATOM 546 O ALA A 40 0.446 0.894 4.342 1.00 0.00 O ATOM 547 CB ALA A 40 -2.807 0.113 5.302 1.00 0.00 C ATOM 0 H ALA A 40 -2.713 1.892 7.059 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.907 0.108 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.571 -0.737 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.335 -0.237 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.439 0.814 4.757 1.00 0.00 H new ATOM 553 N LEU A 41 -1.374 1.994 3.608 1.00 0.00 N ATOM 554 CA LEU A 41 -0.730 2.471 2.390 1.00 0.00 C ATOM 555 C LEU A 41 0.549 3.237 2.715 1.00 0.00 C ATOM 556 O LEU A 41 1.551 3.120 2.007 1.00 0.00 O ATOM 557 CB LEU A 41 -1.687 3.367 1.600 1.00 0.00 C ATOM 558 CG LEU A 41 -2.588 2.658 0.588 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.549 3.647 -0.054 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.751 1.959 -0.473 1.00 0.00 C ATOM 0 H LEU A 41 -2.345 2.288 3.714 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.469 1.604 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.320 3.902 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.098 4.116 1.070 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.173 1.904 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.183 3.125 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.172 4.102 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.982 4.424 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.409 1.460 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.140 2.694 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.104 1.222 0.002 1.00 0.00 H new ATOM 572 N CYS A 42 0.509 4.016 3.789 1.00 0.00 N ATOM 573 CA CYS A 42 1.665 4.800 4.209 1.00 0.00 C ATOM 574 C CYS A 42 2.871 3.899 4.459 1.00 0.00 C ATOM 575 O CYS A 42 3.986 4.206 4.039 1.00 0.00 O ATOM 576 CB CYS A 42 1.338 5.596 5.473 1.00 0.00 C ATOM 577 SG CYS A 42 -0.168 6.591 5.348 1.00 0.00 S ATOM 0 H CYS A 42 -0.312 4.122 4.386 1.00 0.00 H new ATOM 0 HA CYS A 42 1.912 5.494 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.236 4.904 6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.177 6.253 5.703 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.181 5.815 5.099 1.00 0.00 H new ATOM 583 N ALA A 43 2.638 2.788 5.149 1.00 0.00 N ATOM 584 CA ALA A 43 3.703 1.842 5.456 1.00 0.00 C ATOM 585 C ALA A 43 4.291 1.244 4.182 1.00 0.00 C ATOM 586 O ALA A 43 5.508 1.224 3.997 1.00 0.00 O ATOM 587 CB ALA A 43 3.185 0.739 6.368 1.00 0.00 C ATOM 0 H ALA A 43 1.721 2.521 5.506 1.00 0.00 H new ATOM 0 HA ALA A 43 4.496 2.383 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.992 0.040 6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.820 1.177 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.371 0.209 5.872 1.00 0.00 H new ATOM 593 N LEU A 44 3.419 0.756 3.307 1.00 0.00 N ATOM 594 CA LEU A 44 3.852 0.157 2.049 1.00 0.00 C ATOM 595 C LEU A 44 4.761 1.108 1.277 1.00 0.00 C ATOM 596 O LEU A 44 5.768 0.692 0.703 1.00 0.00 O ATOM 597 CB LEU A 44 2.639 -0.213 1.194 1.00 0.00 C ATOM 598 CG LEU A 44 2.932 -0.588 -0.259 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.663 -1.920 -0.330 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.642 -0.644 -1.066 1.00 0.00 C ATOM 0 H LEU A 44 2.408 0.763 3.445 1.00 0.00 H new ATOM 0 HA LEU A 44 4.416 -0.747 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.127 -1.050 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.946 0.628 1.199 1.00 0.00 H new ATOM 0 HG LEU A 44 3.575 0.180 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.863 -2.170 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.605 -1.847 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.045 -2.698 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.870 -0.912 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.976 -1.391 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.156 0.331 -1.044 1.00 0.00 H new ATOM 612 N VAL A 45 4.401 2.387 1.269 1.00 0.00 N ATOM 613 CA VAL A 45 5.186 3.398 0.571 1.00 0.00 C ATOM 614 C VAL A 45 6.437 3.764 1.361 1.00 0.00 C ATOM 615 O VAL A 45 7.560 3.551 0.900 1.00 0.00 O ATOM 616 CB VAL A 45 4.361 4.674 0.317 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.206 5.726 -0.385 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.116 4.349 -0.494 1.00 0.00 C ATOM 0 H VAL A 45 3.570 2.748 1.738 1.00 0.00 H new ATOM 0 HA VAL A 45 5.477 2.967 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 45 4.045 5.080 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.606 6.620 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.064 5.978 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.554 5.335 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.544 5.261 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.408 3.919 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.502 3.633 0.053 1.00 0.00 H new ATOM 628 N TYR A 46 6.238 4.317 2.552 1.00 0.00 N ATOM 629 CA TYR A 46 7.351 4.714 3.406 1.00 0.00 C ATOM 630 C TYR A 46 8.409 3.616 3.469 1.00 0.00 C ATOM 631 O TYR A 46 9.589 3.862 3.222 1.00 0.00 O ATOM 632 CB TYR A 46 6.849 5.036 4.815 1.00 0.00 C ATOM 633 CG TYR A 46 6.229 6.409 4.938 1.00 0.00 C ATOM 634 CD1 TYR A 46 6.954 7.551 4.619 1.00 0.00 C ATOM 635 CD2 TYR A 46 4.919 6.566 5.374 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.391 8.809 4.730 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.347 7.818 5.486 1.00 0.00 C ATOM 638 CZ TYR A 46 5.088 8.937 5.163 1.00 0.00 C ATOM 639 OH TYR A 46 4.523 10.186 5.276 1.00 0.00 O ATOM 0 H TYR A 46 5.316 4.501 2.948 1.00 0.00 H new ATOM 0 HA TYR A 46 7.806 5.606 2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.114 4.287 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.681 4.958 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.974 7.454 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.337 5.693 5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.968 9.686 4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.326 7.921 5.824 1.00 0.00 H new ATOM 0 HH TYR A 46 4.213 10.486 4.396 1.00 0.00 H new ATOM 649 N ARG A 47 7.976 2.406 3.802 1.00 0.00 N ATOM 650 CA ARG A 47 8.884 1.269 3.899 1.00 0.00 C ATOM 651 C ARG A 47 9.552 0.991 2.554 1.00 0.00 C ATOM 652 O ARG A 47 10.779 0.995 2.446 1.00 0.00 O ATOM 653 CB ARG A 47 8.131 0.025 4.373 1.00 0.00 C ATOM 654 CG ARG A 47 9.005 -0.968 5.121 1.00 0.00 C ATOM 655 CD ARG A 47 10.167 -1.445 4.263 1.00 0.00 C ATOM 656 NE ARG A 47 11.353 -0.612 4.435 1.00 0.00 N ATOM 657 CZ ARG A 47 12.542 -0.912 3.924 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.701 -2.019 3.212 1.00 0.00 N ATOM 659 NH2 ARG A 47 13.575 -0.103 4.124 1.00 0.00 N ATOM 0 H ARG A 47 7.002 2.187 4.009 1.00 0.00 H new ATOM 0 HA ARG A 47 9.657 1.515 4.626 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.310 0.333 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.688 -0.472 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.389 -0.504 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.404 -1.823 5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.408 -2.476 4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.869 -1.440 3.214 1.00 0.00 H new ATOM 0 HE ARG A 47 11.264 0.247 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.909 -2.643 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.615 -2.247 2.821 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.456 0.750 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.487 -0.334 3.731 1.00 0.00 H new ATOM 673 N LEU A 48 8.737 0.750 1.533 1.00 0.00 N ATOM 674 CA LEU A 48 9.248 0.470 0.197 1.00 0.00 C ATOM 675 C LEU A 48 10.463 1.338 -0.115 1.00 0.00 C ATOM 676 O LEU A 48 11.414 0.885 -0.752 1.00 0.00 O ATOM 677 CB LEU A 48 8.157 0.708 -0.848 1.00 0.00 C ATOM 678 CG LEU A 48 7.276 -0.496 -1.185 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.082 -0.066 -2.023 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.084 -1.561 -1.911 1.00 0.00 C ATOM 0 H LEU A 48 7.720 0.743 1.605 1.00 0.00 H new ATOM 0 HA LEU A 48 9.553 -0.576 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.515 1.516 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.631 1.055 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 48 6.905 -0.923 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.467 -0.936 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.490 0.661 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.433 0.386 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.441 -2.410 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.485 -1.146 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.906 -1.891 -1.275 1.00 0.00 H new ATOM 692 N GLN A 49 10.426 2.586 0.340 1.00 0.00 N ATOM 693 CA GLN A 49 11.526 3.516 0.111 1.00 0.00 C ATOM 694 C GLN A 49 11.883 4.263 1.392 1.00 0.00 C ATOM 695 O GLN A 49 11.243 5.247 1.764 1.00 0.00 O ATOM 696 CB GLN A 49 11.157 4.513 -0.989 1.00 0.00 C ATOM 697 CG GLN A 49 12.299 5.437 -1.379 1.00 0.00 C ATOM 698 CD GLN A 49 11.930 6.374 -2.513 1.00 0.00 C ATOM 699 OE1 GLN A 49 12.219 7.570 -2.464 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.289 5.833 -3.543 1.00 0.00 N ATOM 0 H GLN A 49 9.647 2.977 0.869 1.00 0.00 H new ATOM 0 HA GLN A 49 12.396 2.940 -0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.828 3.963 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.312 5.114 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.599 6.024 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.161 4.839 -1.673 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.070 4.837 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.016 6.414 -4.336 1.00 0.00 H new ATOM 709 N PRO A 50 12.928 3.786 2.084 1.00 0.00 N ATOM 710 CA PRO A 50 13.394 4.394 3.334 1.00 0.00 C ATOM 711 C PRO A 50 14.039 5.757 3.111 1.00 0.00 C ATOM 712 O PRO A 50 14.440 6.428 4.060 1.00 0.00 O ATOM 713 CB PRO A 50 14.428 3.391 3.852 1.00 0.00 C ATOM 714 CG PRO A 50 14.912 2.682 2.634 1.00 0.00 C ATOM 715 CD PRO A 50 13.736 2.616 1.699 1.00 0.00 C ATOM 0 HA PRO A 50 12.574 4.579 4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.245 3.896 4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.983 2.696 4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.745 3.216 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.271 1.683 2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.048 2.669 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.179 1.686 1.818 1.00 0.00 H new ATOM 723 N GLY A 51 14.137 6.161 1.847 1.00 0.00 N ATOM 724 CA GLY A 51 14.734 7.442 1.522 1.00 0.00 C ATOM 725 C GLY A 51 13.739 8.584 1.608 1.00 0.00 C ATOM 726 O GLY A 51 14.116 9.727 1.871 1.00 0.00 O ATOM 0 H GLY A 51 13.813 5.623 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.564 7.635 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.149 7.401 0.515 1.00 0.00 H new ATOM 730 N LEU A 52 12.467 8.275 1.384 1.00 0.00 N ATOM 731 CA LEU A 52 11.415 9.284 1.435 1.00 0.00 C ATOM 732 C LEU A 52 11.125 9.696 2.875 1.00 0.00 C ATOM 733 O LEU A 52 11.318 8.914 3.807 1.00 0.00 O ATOM 734 CB LEU A 52 10.139 8.754 0.778 1.00 0.00 C ATOM 735 CG LEU A 52 10.045 8.923 -0.738 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.236 7.791 -1.353 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.430 10.270 -1.088 1.00 0.00 C ATOM 0 H LEU A 52 12.139 7.334 1.165 1.00 0.00 H new ATOM 0 HA LEU A 52 11.761 10.161 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.048 7.693 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.285 9.255 1.233 1.00 0.00 H new ATOM 0 HG LEU A 52 11.053 8.888 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.180 7.929 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.718 6.838 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.230 7.794 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.371 10.373 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.429 10.334 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.049 11.069 -0.681 1.00 0.00 H new ATOM 749 N LEU A 53 10.660 10.929 3.050 1.00 0.00 N ATOM 750 CA LEU A 53 10.341 11.445 4.376 1.00 0.00 C ATOM 751 C LEU A 53 9.581 10.407 5.197 1.00 0.00 C ATOM 752 O LEU A 53 9.136 9.389 4.666 1.00 0.00 O ATOM 753 CB LEU A 53 9.515 12.727 4.262 1.00 0.00 C ATOM 754 CG LEU A 53 8.109 12.569 3.680 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.105 11.531 2.569 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.120 12.190 4.772 1.00 0.00 C ATOM 0 H LEU A 53 10.496 11.589 2.290 1.00 0.00 H new ATOM 0 HA LEU A 53 11.278 11.669 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.428 13.169 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.065 13.436 3.644 1.00 0.00 H new ATOM 0 HG LEU A 53 7.802 13.525 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.097 11.432 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.783 11.845 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.433 10.571 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.125 12.082 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.423 11.247 5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.102 12.970 5.533 1.00 0.00 H new ATOM 768 N GLU A 54 9.433 10.676 6.490 1.00 0.00 N ATOM 769 CA GLU A 54 8.725 9.765 7.382 1.00 0.00 C ATOM 770 C GLU A 54 7.347 10.316 7.739 1.00 0.00 C ATOM 771 O GLU A 54 7.091 11.518 7.658 1.00 0.00 O ATOM 772 CB GLU A 54 9.538 9.528 8.656 1.00 0.00 C ATOM 773 CG GLU A 54 10.668 8.528 8.480 1.00 0.00 C ATOM 774 CD GLU A 54 10.194 7.090 8.566 1.00 0.00 C ATOM 775 OE1 GLU A 54 9.553 6.736 9.578 1.00 0.00 O ATOM 776 OE2 GLU A 54 10.465 6.319 7.623 1.00 0.00 O ATOM 0 H GLU A 54 9.793 11.516 6.943 1.00 0.00 H new ATOM 0 HA GLU A 54 8.595 8.816 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.954 10.477 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.871 9.175 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.146 8.692 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.425 8.703 9.244 1.00 0.00 H new ATOM 783 N PRO A 55 6.437 9.418 8.144 1.00 0.00 N ATOM 784 CA PRO A 55 5.071 9.789 8.521 1.00 0.00 C ATOM 785 C PRO A 55 5.023 10.571 9.829 1.00 0.00 C ATOM 786 O PRO A 55 3.947 10.877 10.342 1.00 0.00 O ATOM 787 CB PRO A 55 4.367 8.439 8.680 1.00 0.00 C ATOM 788 CG PRO A 55 5.458 7.478 9.003 1.00 0.00 C ATOM 789 CD PRO A 55 6.673 7.969 8.264 1.00 0.00 C ATOM 0 HA PRO A 55 4.608 10.442 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.621 8.473 9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.846 8.154 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.642 7.443 10.077 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.193 6.468 8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.590 7.755 8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.768 7.495 7.287 1.00 0.00 H new ATOM 797 N SER A 56 6.197 10.893 10.364 1.00 0.00 N ATOM 798 CA SER A 56 6.289 11.637 11.614 1.00 0.00 C ATOM 799 C SER A 56 5.114 12.600 11.761 1.00 0.00 C ATOM 800 O SER A 56 4.603 12.808 12.862 1.00 0.00 O ATOM 801 CB SER A 56 7.607 12.411 11.676 1.00 0.00 C ATOM 802 OG SER A 56 8.675 11.567 12.073 1.00 0.00 O ATOM 0 H SER A 56 7.097 10.650 9.951 1.00 0.00 H new ATOM 0 HA SER A 56 6.256 10.922 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.825 12.844 10.700 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.513 13.239 12.378 1.00 0.00 H new ATOM 0 HG SER A 56 9.507 12.084 12.104 1.00 0.00 H new ATOM 808 N GLU A 57 4.693 13.184 10.644 1.00 0.00 N ATOM 809 CA GLU A 57 3.579 14.125 10.649 1.00 0.00 C ATOM 810 C GLU A 57 2.246 13.391 10.528 1.00 0.00 C ATOM 811 O GLU A 57 1.290 13.695 11.242 1.00 0.00 O ATOM 812 CB GLU A 57 3.726 15.130 9.504 1.00 0.00 C ATOM 813 CG GLU A 57 5.019 15.928 9.558 1.00 0.00 C ATOM 814 CD GLU A 57 6.199 15.164 8.989 1.00 0.00 C ATOM 815 OE1 GLU A 57 5.973 14.230 8.192 1.00 0.00 O ATOM 816 OE2 GLU A 57 7.348 15.500 9.343 1.00 0.00 O ATOM 0 H GLU A 57 5.106 13.023 9.725 1.00 0.00 H new ATOM 0 HA GLU A 57 3.594 14.661 11.598 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.677 14.597 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.882 15.819 9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.891 16.858 9.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.231 16.200 10.592 1.00 0.00 H new ATOM 823 N LEU A 58 2.190 12.426 9.617 1.00 0.00 N ATOM 824 CA LEU A 58 0.975 11.648 9.400 1.00 0.00 C ATOM 825 C LEU A 58 0.409 11.142 10.723 1.00 0.00 C ATOM 826 O LEU A 58 -0.784 10.861 10.832 1.00 0.00 O ATOM 827 CB LEU A 58 1.260 10.469 8.469 1.00 0.00 C ATOM 828 CG LEU A 58 1.070 10.731 6.975 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.094 11.738 6.475 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.168 9.433 6.189 1.00 0.00 C ATOM 0 H LEU A 58 2.972 12.163 9.017 1.00 0.00 H new ATOM 0 HA LEU A 58 0.235 12.299 8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.287 10.143 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.613 9.640 8.757 1.00 0.00 H new ATOM 0 HG LEU A 58 0.075 11.150 6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.943 11.912 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.975 12.677 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.098 11.348 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.030 9.639 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.149 8.985 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.395 8.743 6.528 1.00 0.00 H new ATOM 842 N GLN A 59 1.274 11.028 11.725 1.00 0.00 N ATOM 843 CA GLN A 59 0.860 10.557 13.042 1.00 0.00 C ATOM 844 C GLN A 59 -0.291 11.398 13.584 1.00 0.00 C ATOM 845 O GLN A 59 -1.256 10.869 14.134 1.00 0.00 O ATOM 846 CB GLN A 59 2.038 10.597 14.016 1.00 0.00 C ATOM 847 CG GLN A 59 3.035 9.467 13.810 1.00 0.00 C ATOM 848 CD GLN A 59 2.430 8.101 14.070 1.00 0.00 C ATOM 849 OE1 GLN A 59 1.648 7.923 15.004 1.00 0.00 O ATOM 850 NE2 GLN A 59 2.789 7.128 13.242 1.00 0.00 N ATOM 0 H GLN A 59 2.266 11.255 11.651 1.00 0.00 H new ATOM 0 HA GLN A 59 0.518 9.527 12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.555 11.551 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.657 10.553 15.036 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.414 9.504 12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.888 9.615 14.472 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.440 7.320 12.481 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.414 6.188 13.367 1.00 0.00 H new ATOM 859 N GLY A 60 -0.182 12.713 13.425 1.00 0.00 N ATOM 860 CA GLY A 60 -1.221 13.608 13.904 1.00 0.00 C ATOM 861 C GLY A 60 -1.961 14.295 12.774 1.00 0.00 C ATOM 862 O GLY A 60 -2.215 15.499 12.830 1.00 0.00 O ATOM 0 H GLY A 60 0.607 13.175 12.973 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.931 13.044 14.509 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.776 14.362 14.554 1.00 0.00 H new ATOM 866 N LEU A 61 -2.306 13.530 11.744 1.00 0.00 N ATOM 867 CA LEU A 61 -3.020 14.074 10.594 1.00 0.00 C ATOM 868 C LEU A 61 -4.449 13.544 10.541 1.00 0.00 C ATOM 869 O LEU A 61 -5.410 14.307 10.638 1.00 0.00 O ATOM 870 CB LEU A 61 -2.286 13.722 9.300 1.00 0.00 C ATOM 871 CG LEU A 61 -1.252 14.740 8.816 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.672 14.317 7.476 1.00 0.00 C ATOM 873 CD2 LEU A 61 -1.874 16.126 8.717 1.00 0.00 C ATOM 0 H LEU A 61 -2.103 12.532 11.682 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.057 15.158 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.785 12.764 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.026 13.584 8.512 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.441 14.779 9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.061 15.054 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.189 13.345 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.472 14.248 6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.124 16.837 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.705 16.103 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.239 16.432 9.697 1.00 0.00 H new ATOM 885 N GLY A 62 -4.583 12.230 10.389 1.00 0.00 N ATOM 886 CA GLY A 62 -5.898 11.620 10.327 1.00 0.00 C ATOM 887 C GLY A 62 -5.907 10.341 9.514 1.00 0.00 C ATOM 888 O GLY A 62 -4.922 10.010 8.854 1.00 0.00 O ATOM 0 H GLY A 62 -3.804 11.577 10.308 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.244 11.406 11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.603 12.328 9.892 1.00 0.00 H new ATOM 892 N ALA A 63 -7.021 9.618 9.563 1.00 0.00 N ATOM 893 CA ALA A 63 -7.153 8.368 8.825 1.00 0.00 C ATOM 894 C ALA A 63 -7.040 8.602 7.323 1.00 0.00 C ATOM 895 O ALA A 63 -6.362 7.855 6.617 1.00 0.00 O ATOM 896 CB ALA A 63 -8.477 7.695 9.159 1.00 0.00 C ATOM 0 H ALA A 63 -7.845 9.876 10.106 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.338 7.710 9.125 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.562 6.763 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.518 7.483 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.300 8.357 8.888 1.00 0.00 H new ATOM 902 N LEU A 64 -7.710 9.643 6.840 1.00 0.00 N ATOM 903 CA LEU A 64 -7.686 9.976 5.420 1.00 0.00 C ATOM 904 C LEU A 64 -6.438 10.781 5.070 1.00 0.00 C ATOM 905 O LEU A 64 -5.709 10.440 4.139 1.00 0.00 O ATOM 906 CB LEU A 64 -8.939 10.767 5.040 1.00 0.00 C ATOM 907 CG LEU A 64 -9.447 10.573 3.611 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.816 9.117 3.368 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.641 11.478 3.341 1.00 0.00 C ATOM 0 H LEU A 64 -8.276 10.271 7.411 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.666 9.044 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.739 10.495 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.735 11.827 5.191 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.647 10.844 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.175 8.998 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.938 8.489 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.599 8.819 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.989 11.326 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.444 11.238 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.346 12.519 3.473 1.00 0.00 H new ATOM 921 N GLU A 65 -6.197 11.848 5.826 1.00 0.00 N ATOM 922 CA GLU A 65 -5.036 12.699 5.596 1.00 0.00 C ATOM 923 C GLU A 65 -3.813 11.865 5.228 1.00 0.00 C ATOM 924 O GLU A 65 -2.992 12.274 4.409 1.00 0.00 O ATOM 925 CB GLU A 65 -4.738 13.541 6.839 1.00 0.00 C ATOM 926 CG GLU A 65 -5.774 14.619 7.107 1.00 0.00 C ATOM 927 CD GLU A 65 -5.995 15.524 5.910 1.00 0.00 C ATOM 928 OE1 GLU A 65 -5.235 16.503 5.757 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.931 15.254 5.127 1.00 0.00 O ATOM 0 H GLU A 65 -6.790 12.143 6.602 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.265 13.363 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.677 12.884 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.760 14.009 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.718 14.150 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.456 15.220 7.959 1.00 0.00 H new ATOM 936 N ALA A 66 -3.699 10.691 5.843 1.00 0.00 N ATOM 937 CA ALA A 66 -2.578 9.798 5.580 1.00 0.00 C ATOM 938 C ALA A 66 -2.632 9.252 4.156 1.00 0.00 C ATOM 939 O ALA A 66 -1.680 9.394 3.389 1.00 0.00 O ATOM 940 CB ALA A 66 -2.567 8.655 6.585 1.00 0.00 C ATOM 0 H ALA A 66 -4.369 10.338 6.526 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.657 10.371 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.724 7.996 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.472 9.058 7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.497 8.092 6.506 1.00 0.00 H new ATOM 946 N THR A 67 -3.753 8.626 3.810 1.00 0.00 N ATOM 947 CA THR A 67 -3.931 8.058 2.480 1.00 0.00 C ATOM 948 C THR A 67 -3.531 9.054 1.398 1.00 0.00 C ATOM 949 O THR A 67 -2.845 8.700 0.439 1.00 0.00 O ATOM 950 CB THR A 67 -5.391 7.622 2.246 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.784 6.672 3.243 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.557 7.011 0.863 1.00 0.00 C ATOM 0 H THR A 67 -4.551 8.500 4.433 1.00 0.00 H new ATOM 0 HA THR A 67 -3.284 7.183 2.421 1.00 0.00 H new ATOM 0 HB THR A 67 -6.027 8.505 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.190 5.892 2.810 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.595 6.711 0.720 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.284 7.746 0.105 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.911 6.138 0.771 1.00 0.00 H new ATOM 960 N ALA A 68 -3.962 10.301 1.559 1.00 0.00 N ATOM 961 CA ALA A 68 -3.646 11.349 0.597 1.00 0.00 C ATOM 962 C ALA A 68 -2.159 11.351 0.256 1.00 0.00 C ATOM 963 O ALA A 68 -1.781 11.392 -0.915 1.00 0.00 O ATOM 964 CB ALA A 68 -4.066 12.707 1.138 1.00 0.00 C ATOM 0 H ALA A 68 -4.531 10.610 2.347 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.202 11.147 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.824 13.480 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.140 12.708 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.536 12.908 2.069 1.00 0.00 H new ATOM 970 N TRP A 69 -1.321 11.307 1.286 1.00 0.00 N ATOM 971 CA TRP A 69 0.125 11.304 1.095 1.00 0.00 C ATOM 972 C TRP A 69 0.572 10.056 0.341 1.00 0.00 C ATOM 973 O TRP A 69 1.166 10.149 -0.733 1.00 0.00 O ATOM 974 CB TRP A 69 0.839 11.383 2.445 1.00 0.00 C ATOM 975 CG TRP A 69 2.323 11.204 2.344 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.258 12.185 2.180 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.042 9.967 2.399 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.515 11.634 2.128 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.410 10.275 2.261 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.665 8.630 2.552 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.399 9.294 2.272 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.646 7.658 2.562 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.000 7.993 2.423 1.00 0.00 C ATOM 0 H TRP A 69 -1.618 11.273 2.261 1.00 0.00 H new ATOM 0 HA TRP A 69 0.390 12.179 0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.627 12.349 2.904 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.433 10.619 3.108 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.041 13.240 2.102 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.385 12.153 2.010 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.625 8.362 2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.443 9.550 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.365 6.622 2.679 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.743 7.209 2.435 1.00 0.00 H new ATOM 994 N ALA A 70 0.284 8.891 0.911 1.00 0.00 N ATOM 995 CA ALA A 70 0.654 7.625 0.291 1.00 0.00 C ATOM 996 C ALA A 70 0.455 7.674 -1.220 1.00 0.00 C ATOM 997 O ALA A 70 1.381 7.412 -1.988 1.00 0.00 O ATOM 998 CB ALA A 70 -0.153 6.485 0.894 1.00 0.00 C ATOM 0 H ALA A 70 -0.205 8.798 1.801 1.00 0.00 H new ATOM 0 HA ALA A 70 1.712 7.450 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.134 5.546 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.043 6.427 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.215 6.664 0.729 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.759 8.012 -1.641 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.081 8.096 -3.061 1.00 0.00 C ATOM 1006 C LEU A 71 -0.188 9.113 -3.763 1.00 0.00 C ATOM 1007 O LEU A 71 0.106 8.984 -4.951 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.551 8.473 -3.250 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.569 7.369 -2.962 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -4.909 7.970 -2.563 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.730 6.463 -4.174 1.00 0.00 C ATOM 0 H LEU A 71 -1.537 8.232 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.904 7.117 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.774 9.322 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.690 8.809 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.200 6.769 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.621 7.170 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.783 8.577 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.284 8.594 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.458 5.683 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.076 7.051 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.771 6.005 -4.416 1.00 0.00 H new ATOM 1023 N LYS A 72 0.241 10.127 -3.019 1.00 0.00 N ATOM 1024 CA LYS A 72 1.104 11.167 -3.567 1.00 0.00 C ATOM 1025 C LYS A 72 2.525 10.648 -3.766 1.00 0.00 C ATOM 1026 O LYS A 72 2.981 10.473 -4.895 1.00 0.00 O ATOM 1027 CB LYS A 72 1.120 12.386 -2.642 1.00 0.00 C ATOM 1028 CG LYS A 72 1.554 13.668 -3.332 1.00 0.00 C ATOM 1029 CD LYS A 72 1.976 14.726 -2.327 1.00 0.00 C ATOM 1030 CE LYS A 72 0.773 15.451 -1.743 1.00 0.00 C ATOM 1031 NZ LYS A 72 0.227 16.468 -2.685 1.00 0.00 N ATOM 0 H LYS A 72 0.005 10.251 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 72 0.704 11.460 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.123 12.528 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.791 12.188 -1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.382 13.456 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.735 14.050 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.546 14.259 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.637 15.446 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.005 14.727 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.059 15.937 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.581 16.952 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.966 17.164 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.086 15.999 -3.559 1.00 0.00 H new ATOM 1045 N VAL A 73 3.220 10.402 -2.659 1.00 0.00 N ATOM 1046 CA VAL A 73 4.588 9.900 -2.711 1.00 0.00 C ATOM 1047 C VAL A 73 4.697 8.696 -3.640 1.00 0.00 C ATOM 1048 O VAL A 73 5.740 8.459 -4.246 1.00 0.00 O ATOM 1049 CB VAL A 73 5.093 9.503 -1.311 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.376 8.692 -1.416 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.303 10.740 -0.451 1.00 0.00 C ATOM 0 H VAL A 73 2.858 10.542 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 73 5.208 10.709 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 73 4.337 8.880 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.718 8.421 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.188 7.787 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.143 9.287 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.660 10.442 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.040 11.390 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.360 11.276 -0.348 1.00 0.00 H new ATOM 1061 N ALA A 74 3.610 7.937 -3.744 1.00 0.00 N ATOM 1062 CA ALA A 74 3.582 6.758 -4.600 1.00 0.00 C ATOM 1063 C ALA A 74 3.429 7.148 -6.067 1.00 0.00 C ATOM 1064 O ALA A 74 4.078 6.576 -6.942 1.00 0.00 O ATOM 1065 CB ALA A 74 2.455 5.827 -4.180 1.00 0.00 C ATOM 0 H ALA A 74 2.738 8.118 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 74 4.532 6.235 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.446 4.951 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.608 5.513 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.502 6.349 -4.263 1.00 0.00 H new ATOM 1071 N GLU A 75 2.566 8.125 -6.329 1.00 0.00 N ATOM 1072 CA GLU A 75 2.328 8.589 -7.690 1.00 0.00 C ATOM 1073 C GLU A 75 3.458 9.500 -8.159 1.00 0.00 C ATOM 1074 O GLU A 75 3.611 9.752 -9.354 1.00 0.00 O ATOM 1075 CB GLU A 75 0.991 9.331 -7.773 1.00 0.00 C ATOM 1076 CG GLU A 75 0.693 9.894 -9.152 1.00 0.00 C ATOM 1077 CD GLU A 75 1.422 11.197 -9.421 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.677 11.944 -8.454 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.736 11.468 -10.598 1.00 0.00 O ATOM 0 H GLU A 75 2.021 8.610 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 75 2.293 7.717 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.189 8.651 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.992 10.146 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.975 9.161 -9.908 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.380 10.056 -9.250 1.00 0.00 H new ATOM 1086 N ASN A 76 4.248 9.991 -7.210 1.00 0.00 N ATOM 1087 CA ASN A 76 5.363 10.875 -7.526 1.00 0.00 C ATOM 1088 C ASN A 76 6.664 10.087 -7.654 1.00 0.00 C ATOM 1089 O ASN A 76 7.264 10.031 -8.727 1.00 0.00 O ATOM 1090 CB ASN A 76 5.511 11.950 -6.447 1.00 0.00 C ATOM 1091 CG ASN A 76 4.426 13.006 -6.532 1.00 0.00 C ATOM 1092 OD1 ASN A 76 3.867 13.253 -7.601 1.00 0.00 O ATOM 1093 ND2 ASN A 76 4.125 13.636 -5.402 1.00 0.00 N ATOM 0 H ASN A 76 4.136 9.792 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 76 5.153 11.354 -8.482 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.481 11.481 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.487 12.426 -6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.404 14.358 -5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.615 13.398 -4.539 1.00 0.00 H new ATOM 1100 N GLU A 77 7.091 9.477 -6.553 1.00 0.00 N ATOM 1101 CA GLU A 77 8.319 8.691 -6.542 1.00 0.00 C ATOM 1102 C GLU A 77 8.116 7.356 -7.252 1.00 0.00 C ATOM 1103 O GLU A 77 8.660 7.126 -8.333 1.00 0.00 O ATOM 1104 CB GLU A 77 8.785 8.451 -5.105 1.00 0.00 C ATOM 1105 CG GLU A 77 9.748 9.510 -4.592 1.00 0.00 C ATOM 1106 CD GLU A 77 11.160 9.311 -5.105 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.324 9.067 -6.319 1.00 0.00 O ATOM 1108 OE2 GLU A 77 12.104 9.398 -4.292 1.00 0.00 O ATOM 0 H GLU A 77 6.605 9.512 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 77 9.085 9.254 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.914 8.416 -4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.267 7.475 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.392 10.496 -4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.755 9.492 -3.502 1.00 0.00 H new ATOM 1115 N LEU A 78 7.331 6.479 -6.637 1.00 0.00 N ATOM 1116 CA LEU A 78 7.057 5.164 -7.209 1.00 0.00 C ATOM 1117 C LEU A 78 6.416 5.294 -8.587 1.00 0.00 C ATOM 1118 O LEU A 78 6.596 4.435 -9.449 1.00 0.00 O ATOM 1119 CB LEU A 78 6.142 4.364 -6.281 1.00 0.00 C ATOM 1120 CG LEU A 78 6.462 4.444 -4.788 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.482 3.604 -3.985 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.893 3.994 -4.526 1.00 0.00 C ATOM 0 H LEU A 78 6.873 6.654 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 78 8.005 4.636 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.118 4.706 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.177 3.317 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 78 6.363 5.482 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.726 3.674 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.469 3.971 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.547 2.564 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.105 4.057 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.018 2.964 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.583 4.638 -5.071 1.00 0.00 H new ATOM 1134 N GLY A 79 5.669 6.375 -8.787 1.00 0.00 N ATOM 1135 CA GLY A 79 5.014 6.598 -10.063 1.00 0.00 C ATOM 1136 C GLY A 79 3.796 5.717 -10.252 1.00 0.00 C ATOM 1137 O GLY A 79 3.364 5.476 -11.380 1.00 0.00 O ATOM 0 H GLY A 79 5.506 7.100 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.717 7.644 -10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.723 6.410 -10.869 1.00 0.00 H new ATOM 1141 N ILE A 80 3.240 5.234 -9.145 1.00 0.00 N ATOM 1142 CA ILE A 80 2.065 4.373 -9.194 1.00 0.00 C ATOM 1143 C ILE A 80 0.784 5.196 -9.281 1.00 0.00 C ATOM 1144 O ILE A 80 0.208 5.579 -8.263 1.00 0.00 O ATOM 1145 CB ILE A 80 1.988 3.454 -7.962 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.220 2.550 -7.894 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.716 2.621 -8.001 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.339 1.602 -9.067 1.00 0.00 C ATOM 0 H ILE A 80 3.585 5.425 -8.204 1.00 0.00 H new ATOM 0 HA ILE A 80 2.162 3.759 -10.089 1.00 0.00 H new ATOM 0 HB ILE A 80 1.966 4.075 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.114 3.171 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.185 1.971 -6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.676 1.976 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.151 3.281 -8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.710 2.008 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.235 0.992 -8.952 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.462 0.956 -9.103 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.406 2.174 -9.992 1.00 0.00 H new ATOM 1160 N THR A 81 0.342 5.467 -10.506 1.00 0.00 N ATOM 1161 CA THR A 81 -0.871 6.245 -10.726 1.00 0.00 C ATOM 1162 C THR A 81 -1.990 5.795 -9.793 1.00 0.00 C ATOM 1163 O THR A 81 -2.291 4.607 -9.674 1.00 0.00 O ATOM 1164 CB THR A 81 -1.355 6.129 -12.183 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.369 6.665 -13.072 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.672 6.865 -12.376 1.00 0.00 C ATOM 0 H THR A 81 0.806 5.159 -11.360 1.00 0.00 H new ATOM 0 HA THR A 81 -0.622 7.285 -10.515 1.00 0.00 H new ATOM 0 HB THR A 81 -1.510 5.074 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.684 6.586 -13.996 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.994 6.769 -13.413 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.429 6.435 -11.720 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.539 7.919 -12.134 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.621 6.765 -9.115 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.718 6.493 -8.182 1.00 0.00 C ATOM 1176 C PRO A 82 -4.985 6.031 -8.894 1.00 0.00 C ATOM 1177 O PRO A 82 -5.755 6.846 -9.402 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.949 7.844 -7.502 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.462 8.851 -8.486 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.314 8.202 -9.208 1.00 0.00 C ATOM 0 HA PRO A 82 -3.473 5.688 -7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.003 7.995 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.402 7.913 -6.562 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.253 9.131 -9.182 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.141 9.764 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.252 8.533 -10.245 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.359 8.440 -8.740 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.194 4.718 -8.929 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.368 4.148 -9.577 1.00 0.00 C ATOM 1190 C VAL A 83 -7.624 4.380 -8.744 1.00 0.00 C ATOM 1191 O VAL A 83 -8.718 4.543 -9.283 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.197 2.636 -9.819 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.553 1.852 -8.564 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.046 2.187 -10.998 1.00 0.00 C ATOM 0 H VAL A 83 -4.565 4.030 -8.516 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.475 4.652 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.152 2.438 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.427 0.786 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.898 2.156 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.589 2.052 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.913 1.117 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.096 2.396 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.738 2.726 -11.894 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.458 4.394 -7.425 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.577 4.609 -6.517 1.00 0.00 C ATOM 1206 C VAL A 84 -8.453 5.947 -5.796 1.00 0.00 C ATOM 1207 O VAL A 84 -7.348 6.420 -5.530 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.674 3.482 -5.469 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.716 3.821 -4.415 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.996 2.157 -6.143 1.00 0.00 C ATOM 0 H VAL A 84 -6.559 4.259 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.481 4.610 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.709 3.386 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.770 3.014 -3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.437 4.747 -3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.689 3.945 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.061 1.372 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.949 2.237 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.209 1.911 -6.856 1.00 0.00 H new ATOM 1220 N SER A 85 -9.594 6.553 -5.483 1.00 0.00 N ATOM 1221 CA SER A 85 -9.613 7.838 -4.796 1.00 0.00 C ATOM 1222 C SER A 85 -9.336 7.664 -3.306 1.00 0.00 C ATOM 1223 O SER A 85 -9.954 6.830 -2.643 1.00 0.00 O ATOM 1224 CB SER A 85 -10.963 8.528 -4.997 1.00 0.00 C ATOM 1225 OG SER A 85 -11.185 8.826 -6.365 1.00 0.00 O ATOM 0 H SER A 85 -10.517 6.174 -5.695 1.00 0.00 H new ATOM 0 HA SER A 85 -8.827 8.460 -5.223 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.762 7.885 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.996 9.447 -4.411 1.00 0.00 H new ATOM 0 HG SER A 85 -12.055 9.265 -6.467 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.403 8.454 -2.787 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.045 8.389 -1.376 1.00 0.00 C ATOM 1233 C ALA A 86 -9.267 8.091 -0.513 1.00 0.00 C ATOM 1234 O ALA A 86 -9.212 7.255 0.388 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.390 9.690 -0.936 1.00 0.00 C ATOM 0 H ALA A 86 -7.881 9.147 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.332 7.575 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.128 9.627 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.488 9.860 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.084 10.517 -1.089 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.366 8.783 -0.793 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.601 8.593 -0.041 1.00 0.00 C ATOM 1243 C GLN A 87 -12.111 7.163 -0.184 1.00 0.00 C ATOM 1244 O GLN A 87 -12.294 6.457 0.806 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.670 9.579 -0.515 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.870 9.668 0.412 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.524 11.035 0.392 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -13.882 12.037 0.075 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -15.806 11.083 0.731 1.00 0.00 N ATOM 0 H GLN A 87 -10.427 9.480 -1.535 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.387 8.779 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.222 10.568 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.010 9.284 -1.508 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.603 8.915 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.556 9.435 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.298 10.227 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.299 11.976 0.736 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.339 6.743 -1.425 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.827 5.397 -1.698 1.00 0.00 C ATOM 1260 C ALA A 88 -12.033 4.356 -0.916 1.00 0.00 C ATOM 1261 O ALA A 88 -12.600 3.409 -0.370 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.758 5.104 -3.190 1.00 0.00 C ATOM 0 H ALA A 88 -12.193 7.316 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.866 5.341 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.125 4.096 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.374 5.823 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.725 5.184 -3.529 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.717 4.537 -0.865 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.846 3.614 -0.148 1.00 0.00 C ATOM 1270 C VAL A 89 -10.254 3.496 1.316 1.00 0.00 C ATOM 1271 O VAL A 89 -10.583 2.411 1.795 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.373 4.058 -0.226 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.489 3.121 0.583 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.911 4.122 -1.674 1.00 0.00 C ATOM 0 H VAL A 89 -10.231 5.315 -1.312 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.951 2.642 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.290 5.057 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.452 3.451 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.806 3.131 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.574 2.109 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.868 4.437 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.008 3.137 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.525 4.838 -2.221 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.231 4.622 2.023 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.600 4.646 3.433 1.00 0.00 C ATOM 1286 C VAL A 90 -12.099 4.432 3.613 1.00 0.00 C ATOM 1287 O VAL A 90 -12.526 3.466 4.244 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.200 5.978 4.094 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.619 5.996 5.557 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.703 6.212 3.958 1.00 0.00 C ATOM 0 H VAL A 90 -9.961 5.529 1.642 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.060 3.832 3.916 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.720 6.788 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.328 6.945 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.700 5.878 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.129 5.178 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.438 7.158 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.162 5.400 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.435 6.246 2.902 1.00 0.00 H new ATOM 1300 N ALA A 91 -12.892 5.339 3.053 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.343 5.248 3.149 1.00 0.00 C ATOM 1302 C ALA A 91 -14.809 3.799 3.060 1.00 0.00 C ATOM 1303 O ALA A 91 -15.721 3.385 3.774 1.00 0.00 O ATOM 1304 CB ALA A 91 -14.998 6.083 2.058 1.00 0.00 C ATOM 0 H ALA A 91 -12.554 6.145 2.528 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.643 5.640 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.082 6.006 2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.699 7.125 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.683 5.717 1.081 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.177 3.032 2.176 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.542 1.638 2.009 1.00 0.00 C ATOM 1312 C GLY A 92 -15.749 1.457 1.110 1.00 0.00 C ATOM 1313 O GLY A 92 -16.606 0.613 1.371 1.00 0.00 O ATOM 0 H GLY A 92 -13.419 3.352 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.696 1.092 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.752 1.201 2.985 1.00 0.00 H new ATOM 1317 N SER A 93 -15.819 2.254 0.049 1.00 0.00 N ATOM 1318 CA SER A 93 -16.932 2.183 -0.889 1.00 0.00 C ATOM 1319 C SER A 93 -16.590 1.283 -2.073 1.00 0.00 C ATOM 1320 O SER A 93 -17.416 0.492 -2.526 1.00 0.00 O ATOM 1321 CB SER A 93 -17.298 3.582 -1.387 1.00 0.00 C ATOM 1322 OG SER A 93 -18.388 3.533 -2.291 1.00 0.00 O ATOM 0 H SER A 93 -15.117 2.957 -0.182 1.00 0.00 H new ATOM 0 HA SER A 93 -17.788 1.756 -0.366 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.553 4.218 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.436 4.034 -1.877 1.00 0.00 H new ATOM 0 HG SER A 93 -18.603 4.440 -2.593 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.364 1.411 -2.568 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.909 0.610 -3.700 1.00 0.00 C ATOM 1330 C ASP A 94 -13.742 -0.287 -3.295 1.00 0.00 C ATOM 1331 O ASP A 94 -12.574 0.083 -3.411 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.493 1.516 -4.860 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.629 2.397 -5.342 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.821 3.487 -4.764 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -16.325 1.995 -6.298 1.00 0.00 O ATOM 0 H ASP A 94 -14.667 2.061 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.736 -0.022 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.659 2.143 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.137 0.902 -5.687 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.065 -1.495 -2.809 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.059 -2.470 -2.377 1.00 0.00 C ATOM 1342 C PRO A 95 -12.270 -3.044 -3.548 1.00 0.00 C ATOM 1343 O PRO A 95 -11.111 -3.435 -3.396 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.892 -3.563 -1.705 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.237 -3.459 -2.337 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.439 -2.002 -2.643 1.00 0.00 C ATOM 0 HA PRO A 95 -12.311 -2.023 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.455 -4.548 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.949 -3.411 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.289 -4.059 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.013 -3.828 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.032 -1.859 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.961 -1.490 -1.835 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.902 -3.093 -4.715 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.258 -3.620 -5.913 1.00 0.00 C ATOM 1356 C LEU A 96 -11.080 -2.744 -6.329 1.00 0.00 C ATOM 1357 O LEU A 96 -9.970 -3.233 -6.527 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.267 -3.716 -7.058 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.224 -4.909 -7.013 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.491 -4.547 -6.254 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.558 -5.378 -8.420 1.00 0.00 C ATOM 0 H LEU A 96 -13.860 -2.774 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.882 -4.617 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.859 -2.801 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.717 -3.753 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.731 -5.727 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.160 -5.407 -6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.235 -4.260 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.987 -3.714 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.240 -6.227 -8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.031 -4.566 -8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.643 -5.678 -8.930 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.333 -1.445 -6.456 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.285 -0.520 -6.846 1.00 0.00 C ATOM 1375 C GLY A 97 -9.005 -0.732 -6.061 1.00 0.00 C ATOM 1376 O GLY A 97 -7.925 -0.852 -6.642 1.00 0.00 O ATOM 0 H GLY A 97 -12.245 -1.017 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.079 -0.636 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.633 0.502 -6.699 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.124 -0.775 -4.739 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.966 -0.971 -3.873 1.00 0.00 C ATOM 1382 C LEU A 98 -7.137 -2.165 -4.334 1.00 0.00 C ATOM 1383 O LEU A 98 -5.947 -2.033 -4.621 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.417 -1.177 -2.426 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.316 -1.525 -1.423 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.226 -0.464 -1.440 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.897 -1.673 -0.024 1.00 0.00 C ATOM 0 H LEU A 98 -10.010 -0.677 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.345 -0.077 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.914 -0.268 -2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.162 -1.973 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.873 -2.478 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.451 -0.727 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.791 -0.406 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.655 0.502 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.100 -1.921 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.366 -0.736 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.642 -2.469 -0.022 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.774 -3.329 -4.406 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.096 -4.545 -4.837 1.00 0.00 C ATOM 1401 C ILE A 99 -6.271 -4.299 -6.095 1.00 0.00 C ATOM 1402 O ILE A 99 -5.096 -4.658 -6.159 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.099 -5.683 -5.108 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.950 -5.948 -3.865 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.364 -6.945 -5.533 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.019 -6.998 -4.077 1.00 0.00 C ATOM 0 H ILE A 99 -8.759 -3.455 -4.171 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.433 -4.841 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.760 -5.380 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.299 -6.263 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.423 -5.017 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.085 -7.740 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.797 -6.747 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.682 -7.253 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.583 -7.134 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.693 -6.676 -4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.551 -7.941 -4.359 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.895 -3.683 -7.093 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.217 -3.384 -8.349 1.00 0.00 C ATOM 1420 C ALA A 100 -5.082 -2.389 -8.137 1.00 0.00 C ATOM 1421 O ALA A 100 -4.007 -2.526 -8.719 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.211 -2.847 -9.369 1.00 0.00 C ATOM 0 H ALA A 100 -7.869 -3.381 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.786 -4.309 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.692 -2.628 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.985 -3.593 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.669 -1.935 -8.986 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.329 -1.386 -7.302 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.328 -0.365 -7.016 1.00 0.00 C ATOM 1430 C TYR A 101 -3.045 -0.994 -6.482 1.00 0.00 C ATOM 1431 O TYR A 101 -1.975 -0.850 -7.076 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.874 0.645 -6.004 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.931 1.794 -5.727 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.354 2.512 -6.767 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.616 2.160 -4.424 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.491 3.562 -6.519 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.755 3.210 -4.167 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.195 3.908 -5.217 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.337 4.953 -4.964 1.00 0.00 O ATOM 0 H TYR A 101 -6.214 -1.258 -6.811 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.097 0.152 -7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.819 1.043 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.090 0.129 -5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.584 2.245 -7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.051 1.615 -3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.051 4.109 -7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.522 3.483 -3.148 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.330 5.563 -5.731 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.161 -1.693 -5.358 1.00 0.00 N ATOM 1450 CA LEU A 102 -2.010 -2.347 -4.743 1.00 0.00 C ATOM 1451 C LEU A 102 -1.243 -3.176 -5.767 1.00 0.00 C ATOM 1452 O LEU A 102 -0.014 -3.127 -5.825 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.465 -3.237 -3.585 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.120 -2.520 -2.404 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.385 -3.496 -1.268 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.248 -1.368 -1.928 1.00 0.00 C ATOM 0 H LEU A 102 -4.039 -1.822 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.345 -1.574 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.169 -3.972 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.600 -3.788 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.075 -2.112 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.851 -2.968 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.051 -4.286 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.443 -3.934 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.731 -0.870 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.277 -1.752 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.110 -0.656 -2.741 1.00 0.00 H new ATOM 1468 N SER A 103 -1.976 -3.936 -6.575 1.00 0.00 N ATOM 1469 CA SER A 103 -1.363 -4.777 -7.596 1.00 0.00 C ATOM 1470 C SER A 103 -0.229 -4.040 -8.300 1.00 0.00 C ATOM 1471 O SER A 103 0.803 -4.628 -8.623 1.00 0.00 O ATOM 1472 CB SER A 103 -2.412 -5.218 -8.619 1.00 0.00 C ATOM 1473 OG SER A 103 -1.883 -6.189 -9.506 1.00 0.00 O ATOM 0 H SER A 103 -2.994 -3.986 -6.542 1.00 0.00 H new ATOM 0 HA SER A 103 -0.950 -5.658 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.279 -5.628 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.758 -4.353 -9.186 1.00 0.00 H new ATOM 0 HG SER A 103 -2.573 -6.455 -10.149 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.428 -2.746 -8.534 1.00 0.00 N ATOM 1480 CA HIS A 104 0.578 -1.925 -9.199 1.00 0.00 C ATOM 1481 C HIS A 104 1.881 -1.916 -8.406 1.00 0.00 C ATOM 1482 O HIS A 104 2.962 -2.098 -8.966 1.00 0.00 O ATOM 1483 CB HIS A 104 0.064 -0.497 -9.378 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.166 -0.404 -10.228 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.488 0.715 -10.966 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.154 -1.301 -10.456 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.622 0.504 -11.610 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.046 -0.713 -11.318 1.00 0.00 N ATOM 0 H HIS A 104 -1.277 -2.244 -8.273 1.00 0.00 H new ATOM 0 HA HIS A 104 0.774 -2.357 -10.180 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.149 -0.071 -8.398 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.851 0.110 -9.825 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.227 -2.294 -10.038 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.118 1.206 -12.264 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.898 -1.145 -11.675 1.00 0.00 H new ATOM 1497 N PHE A 105 1.772 -1.699 -7.099 1.00 0.00 N ATOM 1498 CA PHE A 105 2.941 -1.664 -6.230 1.00 0.00 C ATOM 1499 C PHE A 105 3.756 -2.947 -6.360 1.00 0.00 C ATOM 1500 O PHE A 105 4.965 -2.907 -6.588 1.00 0.00 O ATOM 1501 CB PHE A 105 2.515 -1.463 -4.774 1.00 0.00 C ATOM 1502 CG PHE A 105 2.117 -0.049 -4.455 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.857 0.421 -4.788 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.004 0.808 -3.823 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.489 1.721 -4.496 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.640 2.108 -3.528 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.382 2.566 -3.866 1.00 0.00 C ATOM 0 H PHE A 105 0.885 -1.545 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 105 3.565 -0.826 -6.538 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.678 -2.126 -4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.336 -1.757 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.155 -0.235 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.990 0.456 -3.558 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.496 2.076 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.339 2.766 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.097 3.582 -3.638 1.00 0.00 H new ATOM 1517 N HIS A 106 3.085 -4.085 -6.214 1.00 0.00 N ATOM 1518 CA HIS A 106 3.745 -5.381 -6.316 1.00 0.00 C ATOM 1519 C HIS A 106 4.232 -5.633 -7.740 1.00 0.00 C ATOM 1520 O HIS A 106 5.430 -5.779 -7.980 1.00 0.00 O ATOM 1521 CB HIS A 106 2.793 -6.497 -5.885 1.00 0.00 C ATOM 1522 CG HIS A 106 3.469 -7.820 -5.695 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.857 -9.025 -5.971 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.713 -8.125 -5.257 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.694 -10.012 -5.708 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.828 -9.494 -5.274 1.00 0.00 N ATOM 0 H HIS A 106 2.084 -4.136 -6.025 1.00 0.00 H new ATOM 0 HA HIS A 106 4.609 -5.374 -5.652 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.307 -6.209 -4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.008 -6.603 -6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.474 -7.422 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.486 -11.065 -5.828 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.654 -10.024 -4.997 1.00 0.00 H new ATOM 1535 N SER A 107 3.294 -5.683 -8.680 1.00 0.00 N ATOM 1536 CA SER A 107 3.626 -5.923 -10.080 1.00 0.00 C ATOM 1537 C SER A 107 4.926 -5.219 -10.456 1.00 0.00 C ATOM 1538 O SER A 107 5.647 -5.661 -11.351 1.00 0.00 O ATOM 1539 CB SER A 107 2.491 -5.440 -10.985 1.00 0.00 C ATOM 1540 OG SER A 107 1.273 -6.091 -10.666 1.00 0.00 O ATOM 0 H SER A 107 2.298 -5.561 -8.498 1.00 0.00 H new ATOM 0 HA SER A 107 3.760 -6.996 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.370 -4.362 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.747 -5.630 -12.027 1.00 0.00 H new ATOM 0 HG SER A 107 0.931 -5.746 -9.815 1.00 0.00 H new ATOM 1546 N ALA A 108 5.219 -4.121 -9.768 1.00 0.00 N ATOM 1547 CA ALA A 108 6.433 -3.357 -10.028 1.00 0.00 C ATOM 1548 C ALA A 108 7.516 -3.681 -9.003 1.00 0.00 C ATOM 1549 O ALA A 108 8.703 -3.716 -9.330 1.00 0.00 O ATOM 1550 CB ALA A 108 6.129 -1.866 -10.023 1.00 0.00 C ATOM 0 H ALA A 108 4.632 -3.740 -9.026 1.00 0.00 H new ATOM 0 HA ALA A 108 6.806 -3.638 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.044 -1.307 -10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.395 -1.642 -10.797 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.730 -1.579 -9.050 1.00 0.00 H new ATOM 1556 N PHE A 109 7.100 -3.917 -7.763 1.00 0.00 N ATOM 1557 CA PHE A 109 8.035 -4.236 -6.691 1.00 0.00 C ATOM 1558 C PHE A 109 7.905 -5.698 -6.274 1.00 0.00 C ATOM 1559 O PHE A 109 7.893 -6.019 -5.086 1.00 0.00 O ATOM 1560 CB PHE A 109 7.791 -3.327 -5.485 1.00 0.00 C ATOM 1561 CG PHE A 109 8.175 -1.895 -5.727 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.455 -1.111 -6.614 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.256 -1.333 -5.067 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.805 0.207 -6.838 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.611 -0.015 -5.287 1.00 0.00 C ATOM 1566 CZ PHE A 109 8.885 0.755 -6.175 1.00 0.00 C ATOM 0 H PHE A 109 6.121 -3.893 -7.476 1.00 0.00 H new ATOM 0 HA PHE A 109 9.046 -4.070 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.736 -3.371 -5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.355 -3.707 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.610 -1.535 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.828 -1.931 -4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.234 0.808 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.455 0.412 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.162 1.784 -6.350 1.00 0.00 H new ATOM 1576 N LYS A 110 7.809 -6.582 -7.262 1.00 0.00 N ATOM 1577 CA LYS A 110 7.680 -8.011 -7.001 1.00 0.00 C ATOM 1578 C LYS A 110 8.913 -8.766 -7.486 1.00 0.00 C ATOM 1579 O LYS A 110 9.722 -8.230 -8.243 1.00 0.00 O ATOM 1580 CB LYS A 110 6.428 -8.566 -7.684 1.00 0.00 C ATOM 1581 CG LYS A 110 6.557 -8.673 -9.194 1.00 0.00 C ATOM 1582 CD LYS A 110 5.691 -9.791 -9.749 1.00 0.00 C ATOM 1583 CE LYS A 110 5.310 -9.533 -11.198 1.00 0.00 C ATOM 1584 NZ LYS A 110 6.472 -9.692 -12.115 1.00 0.00 N ATOM 0 H LYS A 110 7.818 -6.334 -8.251 1.00 0.00 H new ATOM 0 HA LYS A 110 7.590 -8.150 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.208 -9.552 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.579 -7.925 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.270 -7.727 -9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.599 -8.852 -9.459 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.226 -10.738 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.788 -9.887 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.518 -10.221 -11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.908 -8.524 -11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.170 -9.508 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.218 -9.018 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.840 -10.662 -12.043 1.00 0.00 H new