USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 713 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 35 CYS SG : rot 104:sc= 0.581 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 GLN : amide:sc= 0.199 K(o=0.44,f=-4.7!) USER MOD Set 2.2: A 91 ASN : amide:sc= 0.24 K(o=0.44,f=-2.9) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc=-0.00202 (180deg=-0.129) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 34 MET CE :methyl -126:sc= -6.38! (180deg=-10.3!) USER MOD Single : A 37 THR OG1 : rot 67:sc= 0.323 USER MOD Single : A 38 TYR OH : rot -78:sc= 0.267 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -98:sc= 1.17 USER MOD Single : A 50 SER OG : rot 150:sc= 1.23 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= -0.025 (180deg=-0.848) USER MOD Single : A 63 CYS SG : rot -170:sc= -1.76 USER MOD Single : A 69 LYS NZ :NH3+ -144:sc= -0.443 (180deg=-1.31) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 1.54 (180deg=1.27) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.18) USER MOD Single : A 79 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.2!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 82 MET CE :methyl -167:sc= -2.25 (180deg=-2.92!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.12) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.01 K(o=1,f=0.31) USER MOD Single : A 89 GLN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.864 K(o=0.86,f=-0.34) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00834 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -6.863 4.173 9.927 1.00 61.14 N ATOM 116 CA ILE A 10 -5.647 3.744 9.233 1.00 34.33 C ATOM 117 C ILE A 10 -5.035 4.924 8.465 1.00 51.51 C ATOM 118 O ILE A 10 -5.694 5.499 7.600 1.00 50.13 O ATOM 119 CB ILE A 10 -5.975 2.586 8.262 1.00 32.14 C ATOM 120 CG1 ILE A 10 -6.562 1.348 8.966 1.00 71.43 C ATOM 121 CG2 ILE A 10 -4.700 2.137 7.535 1.00 2.11 C ATOM 122 CD1 ILE A 10 -7.344 0.440 8.005 1.00 21.44 C ATOM 0 HA ILE A 10 -4.923 3.392 9.968 1.00 34.33 H new ATOM 0 HB ILE A 10 -6.722 2.978 7.572 1.00 32.14 H new ATOM 0 HG12 ILE A 10 -5.754 0.777 9.423 1.00 71.43 H new ATOM 0 HG13 ILE A 10 -7.221 1.671 9.772 1.00 71.43 H new ATOM 0 HG21 ILE A 10 -4.938 1.321 6.853 1.00 2.11 H new ATOM 0 HG22 ILE A 10 -4.289 2.974 6.970 1.00 2.11 H new ATOM 0 HG23 ILE A 10 -3.966 1.797 8.265 1.00 2.11 H new ATOM 0 HD11 ILE A 10 -7.736 -0.417 8.552 1.00 21.44 H new ATOM 0 HD12 ILE A 10 -8.170 1.000 7.567 1.00 21.44 H new ATOM 0 HD13 ILE A 10 -6.681 0.092 7.213 1.00 21.44 H new ATOM 134 N LYS A 11 -3.752 5.235 8.699 1.00 52.22 N ATOM 135 CA LYS A 11 -3.023 6.326 8.019 1.00 64.34 C ATOM 136 C LYS A 11 -1.868 5.836 7.145 1.00 34.43 C ATOM 137 O LYS A 11 -1.029 6.614 6.705 1.00 75.54 O ATOM 138 CB LYS A 11 -2.481 7.351 9.023 1.00 44.32 C ATOM 139 CG LYS A 11 -3.455 7.837 10.093 1.00 73.52 C ATOM 140 CD LYS A 11 -4.730 8.492 9.547 1.00 34.50 C ATOM 141 CE LYS A 11 -5.622 8.878 10.726 1.00 33.35 C ATOM 142 NZ LYS A 11 -5.076 10.033 11.467 1.00 41.43 N ATOM 0 H LYS A 11 -3.179 4.731 9.376 1.00 52.22 H new ATOM 0 HA LYS A 11 -3.761 6.794 7.368 1.00 64.34 H new ATOM 0 HB2 LYS A 11 -1.616 6.915 9.522 1.00 44.32 H new ATOM 0 HB3 LYS A 11 -2.125 8.218 8.467 1.00 44.32 H new ATOM 0 HG2 LYS A 11 -3.737 6.991 10.720 1.00 73.52 H new ATOM 0 HG3 LYS A 11 -2.941 8.552 10.735 1.00 73.52 H new ATOM 0 HD2 LYS A 11 -4.480 9.374 8.957 1.00 34.50 H new ATOM 0 HD3 LYS A 11 -5.255 7.804 8.885 1.00 34.50 H new ATOM 0 HE2 LYS A 11 -6.622 9.118 10.363 1.00 33.35 H new ATOM 0 HE3 LYS A 11 -5.723 8.027 11.400 1.00 33.35 H new ATOM 0 HZ1 LYS A 11 -5.795 10.394 12.126 1.00 41.43 H new ATOM 0 HZ2 LYS A 11 -4.235 9.736 12.002 1.00 41.43 H new ATOM 0 HZ3 LYS A 11 -4.813 10.783 10.796 1.00 41.43 H new ATOM 156 N GLU A 12 -1.795 4.540 6.911 1.00 51.02 N ATOM 157 CA GLU A 12 -0.698 3.900 6.211 1.00 24.31 C ATOM 158 C GLU A 12 -1.204 2.527 5.778 1.00 72.31 C ATOM 159 O GLU A 12 -1.894 1.870 6.554 1.00 62.42 O ATOM 160 CB GLU A 12 0.518 3.803 7.162 1.00 14.43 C ATOM 161 CG GLU A 12 1.845 3.575 6.427 1.00 35.25 C ATOM 162 CD GLU A 12 3.060 3.742 7.358 1.00 32.34 C ATOM 163 OE1 GLU A 12 3.278 4.860 7.875 1.00 10.43 O ATOM 164 OE2 GLU A 12 3.828 2.769 7.538 1.00 35.30 O ATOM 0 H GLU A 12 -2.517 3.885 7.211 1.00 51.02 H new ATOM 0 HA GLU A 12 -0.373 4.461 5.335 1.00 24.31 H new ATOM 0 HB2 GLU A 12 0.587 4.720 7.747 1.00 14.43 H new ATOM 0 HB3 GLU A 12 0.356 2.987 7.866 1.00 14.43 H new ATOM 0 HG2 GLU A 12 1.853 2.573 5.997 1.00 35.25 H new ATOM 0 HG3 GLU A 12 1.925 4.278 5.598 1.00 35.25 H new ATOM 171 N ILE A 13 -0.904 2.101 4.553 1.00 1.25 N ATOM 172 CA ILE A 13 -1.299 0.790 4.022 1.00 53.23 C ATOM 173 C ILE A 13 -0.042 0.082 3.544 1.00 21.03 C ATOM 174 O ILE A 13 0.986 0.730 3.342 1.00 1.54 O ATOM 175 CB ILE A 13 -2.361 0.936 2.914 1.00 42.51 C ATOM 176 CG1 ILE A 13 -1.807 1.741 1.718 1.00 1.31 C ATOM 177 CG2 ILE A 13 -3.633 1.563 3.512 1.00 2.13 C ATOM 178 CD1 ILE A 13 -1.416 0.864 0.525 1.00 23.01 C ATOM 0 H ILE A 13 -0.372 2.662 3.888 1.00 1.25 H new ATOM 0 HA ILE A 13 -1.770 0.187 4.798 1.00 53.23 H new ATOM 0 HB ILE A 13 -2.622 -0.047 2.522 1.00 42.51 H new ATOM 0 HG12 ILE A 13 -2.557 2.464 1.398 1.00 1.31 H new ATOM 0 HG13 ILE A 13 -0.935 2.308 2.044 1.00 1.31 H new ATOM 0 HG21 ILE A 13 -4.388 1.669 2.733 1.00 2.13 H new ATOM 0 HG22 ILE A 13 -4.017 0.921 4.304 1.00 2.13 H new ATOM 0 HG23 ILE A 13 -3.396 2.544 3.923 1.00 2.13 H new ATOM 0 HD11 ILE A 13 -1.035 1.493 -0.280 1.00 23.01 H new ATOM 0 HD12 ILE A 13 -0.644 0.158 0.830 1.00 23.01 H new ATOM 0 HD13 ILE A 13 -2.291 0.316 0.174 1.00 23.01 H new ATOM 190 N ILE A 14 -0.086 -1.239 3.418 1.00 20.41 N ATOM 191 CA ILE A 14 1.103 -2.073 3.409 1.00 42.15 C ATOM 192 C ILE A 14 0.903 -3.142 2.340 1.00 42.34 C ATOM 193 O ILE A 14 0.315 -4.192 2.597 1.00 50.33 O ATOM 194 CB ILE A 14 1.389 -2.606 4.837 1.00 34.24 C ATOM 195 CG1 ILE A 14 1.503 -1.416 5.827 1.00 41.44 C ATOM 196 CG2 ILE A 14 2.673 -3.458 4.831 1.00 70.31 C ATOM 197 CD1 ILE A 14 1.922 -1.767 7.248 1.00 3.32 C ATOM 0 H ILE A 14 -0.956 -1.762 3.319 1.00 20.41 H new ATOM 0 HA ILE A 14 2.004 -1.519 3.143 1.00 42.15 H new ATOM 0 HB ILE A 14 0.566 -3.241 5.164 1.00 34.24 H new ATOM 0 HG12 ILE A 14 2.221 -0.701 5.424 1.00 41.44 H new ATOM 0 HG13 ILE A 14 0.538 -0.910 5.868 1.00 41.44 H new ATOM 0 HG21 ILE A 14 2.868 -3.829 5.837 1.00 70.31 H new ATOM 0 HG22 ILE A 14 2.547 -4.301 4.151 1.00 70.31 H new ATOM 0 HG23 ILE A 14 3.513 -2.847 4.500 1.00 70.31 H new ATOM 0 HD11 ILE A 14 1.968 -0.859 7.849 1.00 3.32 H new ATOM 0 HD12 ILE A 14 1.195 -2.453 7.683 1.00 3.32 H new ATOM 0 HD13 ILE A 14 2.903 -2.241 7.231 1.00 3.32 H new ATOM 209 N ILE A 15 1.380 -2.872 1.123 1.00 23.43 N ATOM 210 CA ILE A 15 1.289 -3.844 0.044 1.00 25.40 C ATOM 211 C ILE A 15 2.188 -5.009 0.444 1.00 51.14 C ATOM 212 O ILE A 15 3.377 -4.809 0.738 1.00 61.52 O ATOM 213 CB ILE A 15 1.702 -3.271 -1.322 1.00 45.41 C ATOM 214 CG1 ILE A 15 1.147 -1.868 -1.644 1.00 14.02 C ATOM 215 CG2 ILE A 15 1.322 -4.287 -2.409 1.00 43.32 C ATOM 216 CD1 ILE A 15 -0.366 -1.773 -1.794 1.00 72.42 C ATOM 0 H ILE A 15 1.829 -1.993 0.866 1.00 23.43 H new ATOM 0 HA ILE A 15 0.253 -4.155 -0.086 1.00 25.40 H new ATOM 0 HB ILE A 15 2.781 -3.117 -1.287 1.00 45.41 H new ATOM 0 HG12 ILE A 15 1.459 -1.184 -0.854 1.00 14.02 H new ATOM 0 HG13 ILE A 15 1.608 -1.519 -2.568 1.00 14.02 H new ATOM 0 HG21 ILE A 15 1.607 -3.898 -3.386 1.00 43.32 H new ATOM 0 HG22 ILE A 15 1.843 -5.227 -2.226 1.00 43.32 H new ATOM 0 HG23 ILE A 15 0.246 -4.458 -2.387 1.00 43.32 H new ATOM 0 HD11 ILE A 15 -0.645 -0.744 -2.019 1.00 72.42 H new ATOM 0 HD12 ILE A 15 -0.693 -2.423 -2.605 1.00 72.42 H new ATOM 0 HD13 ILE A 15 -0.844 -2.084 -0.865 1.00 72.42 H new ATOM 228 N GLN A 16 1.623 -6.212 0.504 1.00 2.12 N ATOM 229 CA GLN A 16 2.375 -7.374 0.919 1.00 14.11 C ATOM 230 C GLN A 16 3.335 -7.789 -0.198 1.00 15.53 C ATOM 231 O GLN A 16 3.096 -7.545 -1.380 1.00 1.30 O ATOM 232 CB GLN A 16 1.421 -8.503 1.340 1.00 20.32 C ATOM 233 CG GLN A 16 1.971 -9.264 2.558 1.00 33.12 C ATOM 234 CD GLN A 16 1.041 -10.357 3.084 1.00 14.04 C ATOM 235 OE1 GLN A 16 0.169 -10.860 2.382 1.00 15.14 O ATOM 236 NE2 GLN A 16 1.253 -10.763 4.323 1.00 22.32 N ATOM 0 H GLN A 16 0.648 -6.399 0.269 1.00 2.12 H new ATOM 0 HA GLN A 16 2.980 -7.137 1.794 1.00 14.11 H new ATOM 0 HB2 GLN A 16 0.442 -8.087 1.578 1.00 20.32 H new ATOM 0 HB3 GLN A 16 1.280 -9.194 0.509 1.00 20.32 H new ATOM 0 HG2 GLN A 16 2.927 -9.714 2.290 1.00 33.12 H new ATOM 0 HG3 GLN A 16 2.167 -8.552 3.360 1.00 33.12 H new ATOM 0 HE21 GLN A 16 1.985 -10.327 4.884 1.00 22.32 H new ATOM 0 HE22 GLN A 16 0.685 -11.512 4.718 1.00 22.32 H new ATOM 245 N GLY A 17 4.420 -8.475 0.166 1.00 73.21 N ATOM 246 CA GLY A 17 5.275 -9.166 -0.800 1.00 70.11 C ATOM 247 C GLY A 17 4.772 -10.579 -1.103 1.00 20.44 C ATOM 248 O GLY A 17 5.500 -11.359 -1.727 1.00 3.41 O ATOM 0 H GLY A 17 4.729 -8.567 1.134 1.00 73.21 H new ATOM 0 HA2 GLY A 17 5.317 -8.590 -1.724 1.00 70.11 H new ATOM 0 HA3 GLY A 17 6.292 -9.219 -0.411 1.00 70.11 H new ATOM 252 N LEU A 18 3.579 -10.924 -0.612 1.00 32.11 N ATOM 253 CA LEU A 18 2.933 -12.210 -0.755 1.00 22.42 C ATOM 254 C LEU A 18 1.803 -12.073 -1.774 1.00 41.25 C ATOM 255 O LEU A 18 1.183 -11.010 -1.872 1.00 62.12 O ATOM 256 CB LEU A 18 2.373 -12.611 0.625 1.00 42.22 C ATOM 257 CG LEU A 18 2.795 -14.001 1.117 1.00 72.02 C ATOM 258 CD1 LEU A 18 4.312 -14.140 1.258 1.00 53.13 C ATOM 259 CD2 LEU A 18 2.138 -14.220 2.480 1.00 52.25 C ATOM 0 H LEU A 18 3.014 -10.267 -0.074 1.00 32.11 H new ATOM 0 HA LEU A 18 3.630 -12.973 -1.102 1.00 22.42 H new ATOM 0 HB2 LEU A 18 2.691 -11.870 1.359 1.00 42.22 H new ATOM 0 HB3 LEU A 18 1.284 -12.572 0.584 1.00 42.22 H new ATOM 0 HG LEU A 18 2.478 -14.744 0.385 1.00 72.02 H new ATOM 0 HD11 LEU A 18 4.554 -15.143 1.609 1.00 53.13 H new ATOM 0 HD12 LEU A 18 4.784 -13.970 0.290 1.00 53.13 H new ATOM 0 HD13 LEU A 18 4.680 -13.406 1.975 1.00 53.13 H new ATOM 0 HD21 LEU A 18 2.415 -15.202 2.864 1.00 52.25 H new ATOM 0 HD22 LEU A 18 2.475 -13.450 3.174 1.00 52.25 H new ATOM 0 HD23 LEU A 18 1.055 -14.164 2.375 1.00 52.25 H new ATOM 271 N THR A 19 1.519 -13.144 -2.507 1.00 53.11 N ATOM 272 CA THR A 19 0.409 -13.196 -3.442 1.00 74.44 C ATOM 273 C THR A 19 -0.943 -13.201 -2.709 1.00 22.22 C ATOM 274 O THR A 19 -1.015 -13.434 -1.495 1.00 3.31 O ATOM 275 CB THR A 19 0.569 -14.415 -4.376 1.00 22.23 C ATOM 276 OG1 THR A 19 0.629 -15.646 -3.664 1.00 11.31 O ATOM 277 CG2 THR A 19 1.826 -14.296 -5.248 1.00 3.24 C ATOM 0 H THR A 19 2.060 -14.007 -2.466 1.00 53.11 H new ATOM 0 HA THR A 19 0.422 -12.295 -4.056 1.00 74.44 H new ATOM 0 HB THR A 19 -0.320 -14.418 -5.006 1.00 22.23 H new ATOM 0 HG1 THR A 19 0.729 -16.386 -4.298 1.00 11.31 H new ATOM 0 HG21 THR A 19 1.906 -15.171 -5.892 1.00 3.24 H new ATOM 0 HG22 THR A 19 1.759 -13.398 -5.862 1.00 3.24 H new ATOM 0 HG23 THR A 19 2.707 -14.234 -4.609 1.00 3.24 H new ATOM 285 N ARG A 20 -2.027 -13.052 -3.480 1.00 0.34 N ATOM 286 CA ARG A 20 -3.419 -13.230 -3.047 1.00 15.42 C ATOM 287 C ARG A 20 -3.622 -14.536 -2.269 1.00 61.53 C ATOM 288 O ARG A 20 -4.357 -14.569 -1.284 1.00 34.32 O ATOM 289 CB ARG A 20 -4.339 -13.139 -4.280 1.00 51.22 C ATOM 290 CG ARG A 20 -4.116 -14.260 -5.319 1.00 72.22 C ATOM 291 CD ARG A 20 -4.526 -13.820 -6.727 1.00 53.43 C ATOM 292 NE ARG A 20 -5.976 -13.859 -6.933 1.00 31.23 N ATOM 293 CZ ARG A 20 -6.692 -14.827 -7.517 1.00 51.53 C ATOM 294 NH1 ARG A 20 -6.143 -15.980 -7.898 1.00 64.11 N ATOM 295 NH2 ARG A 20 -7.988 -14.627 -7.722 1.00 11.33 N ATOM 0 H ARG A 20 -1.955 -12.793 -4.464 1.00 0.34 H new ATOM 0 HA ARG A 20 -3.678 -12.433 -2.350 1.00 15.42 H new ATOM 0 HB2 ARG A 20 -5.377 -13.168 -3.948 1.00 51.22 H new ATOM 0 HB3 ARG A 20 -4.185 -12.174 -4.764 1.00 51.22 H new ATOM 0 HG2 ARG A 20 -3.065 -14.550 -5.320 1.00 72.22 H new ATOM 0 HG3 ARG A 20 -4.690 -15.141 -5.032 1.00 72.22 H new ATOM 0 HD2 ARG A 20 -4.165 -12.807 -6.906 1.00 53.43 H new ATOM 0 HD3 ARG A 20 -4.042 -14.465 -7.460 1.00 53.43 H new ATOM 0 HE ARG A 20 -6.501 -13.054 -6.591 1.00 31.23 H new ATOM 0 HH11 ARG A 20 -5.148 -16.146 -7.747 1.00 64.11 H new ATOM 0 HH12 ARG A 20 -6.718 -16.697 -8.341 1.00 64.11 H new ATOM 0 HH21 ARG A 20 -8.420 -13.748 -7.436 1.00 11.33 H new ATOM 0 HH22 ARG A 20 -8.552 -15.352 -8.166 1.00 11.33 H new ATOM 309 N ALA A 21 -2.924 -15.603 -2.677 1.00 5.31 N ATOM 310 CA ALA A 21 -2.861 -16.854 -1.946 1.00 60.14 C ATOM 311 C ALA A 21 -2.109 -16.627 -0.642 1.00 33.33 C ATOM 312 O ALA A 21 -2.699 -16.545 0.437 1.00 3.23 O ATOM 313 CB ALA A 21 -2.223 -17.936 -2.827 1.00 52.11 C ATOM 0 H ALA A 21 -2.381 -15.611 -3.541 1.00 5.31 H new ATOM 0 HA ALA A 21 -3.860 -17.207 -1.690 1.00 60.14 H new ATOM 0 HB1 ALA A 21 -2.177 -18.875 -2.275 1.00 52.11 H new ATOM 0 HB2 ALA A 21 -2.823 -18.073 -3.727 1.00 52.11 H new ATOM 0 HB3 ALA A 21 -1.215 -17.630 -3.106 1.00 52.11 H new ATOM 319 N GLY A 22 -0.798 -16.461 -0.761 1.00 23.04 N ATOM 320 CA GLY A 22 0.123 -16.409 0.359 1.00 64.54 C ATOM 321 C GLY A 22 1.459 -17.064 0.015 1.00 53.20 C ATOM 322 O GLY A 22 2.139 -17.584 0.903 1.00 31.40 O ATOM 0 H GLY A 22 -0.337 -16.356 -1.665 1.00 23.04 H new ATOM 0 HA2 GLY A 22 0.289 -15.371 0.647 1.00 64.54 H new ATOM 0 HA3 GLY A 22 -0.319 -16.912 1.219 1.00 64.54 H new ATOM 326 N LYS A 23 1.828 -17.085 -1.269 1.00 60.33 N ATOM 327 CA LYS A 23 3.184 -17.445 -1.692 1.00 75.50 C ATOM 328 C LYS A 23 4.040 -16.192 -1.818 1.00 22.14 C ATOM 329 O LYS A 23 3.485 -15.116 -2.041 1.00 25.12 O ATOM 330 CB LYS A 23 3.154 -18.171 -3.035 1.00 50.31 C ATOM 331 CG LYS A 23 2.587 -19.570 -2.810 1.00 11.21 C ATOM 332 CD LYS A 23 3.172 -20.554 -3.806 1.00 32.31 C ATOM 333 CE LYS A 23 2.516 -21.937 -3.730 1.00 61.45 C ATOM 334 NZ LYS A 23 2.661 -22.593 -2.411 1.00 23.21 N ATOM 0 H LYS A 23 1.200 -16.855 -2.039 1.00 60.33 H new ATOM 0 HA LYS A 23 3.612 -18.108 -0.940 1.00 75.50 H new ATOM 0 HB2 LYS A 23 2.540 -17.623 -3.750 1.00 50.31 H new ATOM 0 HB3 LYS A 23 4.157 -18.231 -3.457 1.00 50.31 H new ATOM 0 HG2 LYS A 23 2.808 -19.898 -1.794 1.00 11.21 H new ATOM 0 HG3 LYS A 23 1.502 -19.548 -2.908 1.00 11.21 H new ATOM 0 HD2 LYS A 23 3.055 -20.156 -4.814 1.00 32.31 H new ATOM 0 HD3 LYS A 23 4.242 -20.654 -3.625 1.00 32.31 H new ATOM 0 HE2 LYS A 23 1.456 -21.840 -3.963 1.00 61.45 H new ATOM 0 HE3 LYS A 23 2.953 -22.579 -4.495 1.00 61.45 H new ATOM 0 HZ1 LYS A 23 2.194 -23.522 -2.432 1.00 23.21 H new ATOM 0 HZ2 LYS A 23 3.671 -22.717 -2.194 1.00 23.21 H new ATOM 0 HZ3 LYS A 23 2.220 -22.001 -1.678 1.00 23.21 H new ATOM 348 N PRO A 24 5.371 -16.287 -1.686 1.00 32.14 N ATOM 349 CA PRO A 24 6.246 -15.164 -1.976 1.00 60.05 C ATOM 350 C PRO A 24 6.182 -14.811 -3.462 1.00 65.14 C ATOM 351 O PRO A 24 5.944 -15.664 -4.321 1.00 2.04 O ATOM 352 CB PRO A 24 7.639 -15.614 -1.535 1.00 53.35 C ATOM 353 CG PRO A 24 7.589 -17.138 -1.660 1.00 24.14 C ATOM 354 CD PRO A 24 6.138 -17.470 -1.322 1.00 74.51 C ATOM 0 HA PRO A 24 5.956 -14.255 -1.450 1.00 60.05 H new ATOM 0 HB2 PRO A 24 8.416 -15.186 -2.168 1.00 53.35 H new ATOM 0 HB3 PRO A 24 7.854 -15.304 -0.513 1.00 53.35 H new ATOM 0 HG2 PRO A 24 7.854 -17.468 -2.664 1.00 24.14 H new ATOM 0 HG3 PRO A 24 8.283 -17.621 -0.972 1.00 24.14 H new ATOM 0 HD2 PRO A 24 5.797 -18.344 -1.876 1.00 74.51 H new ATOM 0 HD3 PRO A 24 6.025 -17.700 -0.263 1.00 74.51 H new ATOM 362 N PHE A 25 6.440 -13.544 -3.765 1.00 13.35 N ATOM 363 CA PHE A 25 6.589 -13.029 -5.114 1.00 3.32 C ATOM 364 C PHE A 25 8.059 -12.678 -5.345 1.00 64.43 C ATOM 365 O PHE A 25 8.694 -12.128 -4.433 1.00 1.33 O ATOM 366 CB PHE A 25 5.686 -11.797 -5.225 1.00 42.42 C ATOM 367 CG PHE A 25 5.910 -10.977 -6.472 1.00 24.14 C ATOM 368 CD1 PHE A 25 5.261 -11.339 -7.662 1.00 50.31 C ATOM 369 CD2 PHE A 25 6.768 -9.860 -6.442 1.00 2.41 C ATOM 370 CE1 PHE A 25 5.497 -10.603 -8.832 1.00 5.01 C ATOM 371 CE2 PHE A 25 6.991 -9.118 -7.612 1.00 53.01 C ATOM 372 CZ PHE A 25 6.358 -9.497 -8.808 1.00 4.13 C ATOM 0 H PHE A 25 6.555 -12.825 -3.051 1.00 13.35 H new ATOM 0 HA PHE A 25 6.300 -13.758 -5.871 1.00 3.32 H new ATOM 0 HB2 PHE A 25 4.645 -12.120 -5.198 1.00 42.42 H new ATOM 0 HB3 PHE A 25 5.846 -11.163 -4.353 1.00 42.42 H new ATOM 0 HD1 PHE A 25 4.583 -12.180 -7.677 1.00 50.31 H new ATOM 0 HD2 PHE A 25 7.253 -9.575 -5.520 1.00 2.41 H new ATOM 0 HE1 PHE A 25 5.014 -10.889 -9.755 1.00 5.01 H new ATOM 0 HE2 PHE A 25 7.646 -8.260 -7.593 1.00 53.01 H new ATOM 0 HZ PHE A 25 6.536 -8.934 -9.712 1.00 4.13 H new ATOM 382 N ARG A 26 8.583 -12.936 -6.551 1.00 10.34 N ATOM 383 CA ARG A 26 9.897 -12.463 -6.986 1.00 44.42 C ATOM 384 C ARG A 26 9.753 -11.344 -8.037 1.00 11.14 C ATOM 385 O ARG A 26 8.852 -11.432 -8.871 1.00 2.43 O ATOM 386 CB ARG A 26 10.711 -13.596 -7.619 1.00 32.20 C ATOM 387 CG ARG A 26 11.346 -14.583 -6.618 1.00 31.14 C ATOM 388 CD ARG A 26 12.859 -14.351 -6.456 1.00 50.13 C ATOM 389 NE ARG A 26 13.549 -14.479 -7.759 1.00 12.43 N ATOM 390 CZ ARG A 26 14.520 -13.704 -8.256 1.00 52.51 C ATOM 391 NH1 ARG A 26 15.158 -12.826 -7.498 1.00 4.21 N ATOM 392 NH2 ARG A 26 14.805 -13.794 -9.546 1.00 10.43 N ATOM 0 H ARG A 26 8.097 -13.487 -7.259 1.00 10.34 H new ATOM 0 HA ARG A 26 10.409 -12.088 -6.100 1.00 44.42 H new ATOM 0 HB2 ARG A 26 10.063 -14.154 -8.295 1.00 32.20 H new ATOM 0 HB3 ARG A 26 11.503 -13.158 -8.226 1.00 32.20 H new ATOM 0 HG2 ARG A 26 10.858 -14.480 -5.649 1.00 31.14 H new ATOM 0 HG3 ARG A 26 11.171 -15.604 -6.956 1.00 31.14 H new ATOM 0 HD2 ARG A 26 13.038 -13.360 -6.040 1.00 50.13 H new ATOM 0 HD3 ARG A 26 13.269 -15.072 -5.749 1.00 50.13 H new ATOM 0 HE ARG A 26 13.247 -15.253 -8.351 1.00 12.43 H new ATOM 0 HH11 ARG A 26 14.913 -12.729 -6.513 1.00 4.21 H new ATOM 0 HH12 ARG A 26 15.895 -12.246 -7.899 1.00 4.21 H new ATOM 0 HH21 ARG A 26 14.288 -14.444 -10.138 1.00 10.43 H new ATOM 0 HH22 ARG A 26 15.541 -13.213 -9.947 1.00 10.43 H new ATOM 406 N PRO A 27 10.703 -10.396 -8.110 1.00 52.14 N ATOM 407 CA PRO A 27 11.906 -10.389 -7.305 1.00 62.35 C ATOM 408 C PRO A 27 11.531 -10.009 -5.884 1.00 74.33 C ATOM 409 O PRO A 27 10.632 -9.196 -5.672 1.00 44.25 O ATOM 410 CB PRO A 27 12.819 -9.334 -7.929 1.00 1.25 C ATOM 411 CG PRO A 27 11.831 -8.334 -8.527 1.00 20.52 C ATOM 412 CD PRO A 27 10.678 -9.227 -8.977 1.00 64.21 C ATOM 0 HA PRO A 27 12.404 -11.358 -7.276 1.00 62.35 H new ATOM 0 HB2 PRO A 27 13.464 -8.868 -7.185 1.00 1.25 H new ATOM 0 HB3 PRO A 27 13.470 -9.763 -8.691 1.00 1.25 H new ATOM 0 HG2 PRO A 27 11.508 -7.596 -7.793 1.00 20.52 H new ATOM 0 HG3 PRO A 27 12.267 -7.784 -9.361 1.00 20.52 H new ATOM 0 HD2 PRO A 27 9.726 -8.703 -8.895 1.00 64.21 H new ATOM 0 HD3 PRO A 27 10.795 -9.515 -10.022 1.00 64.21 H new ATOM 420 N SER A 28 12.199 -10.595 -4.894 1.00 53.24 N ATOM 421 CA SER A 28 11.894 -10.268 -3.512 1.00 53.52 C ATOM 422 C SER A 28 12.210 -8.785 -3.264 1.00 4.05 C ATOM 423 O SER A 28 11.518 -8.134 -2.485 1.00 25.33 O ATOM 424 CB SER A 28 12.640 -11.218 -2.560 1.00 42.24 C ATOM 425 OG SER A 28 12.951 -12.442 -3.213 1.00 64.31 O ATOM 0 H SER A 28 12.940 -11.284 -5.022 1.00 53.24 H new ATOM 0 HA SER A 28 10.833 -10.412 -3.310 1.00 53.52 H new ATOM 0 HB2 SER A 28 13.557 -10.744 -2.210 1.00 42.24 H new ATOM 0 HB3 SER A 28 12.027 -11.415 -1.681 1.00 42.24 H new ATOM 0 HG SER A 28 13.427 -13.032 -2.592 1.00 64.31 H new ATOM 431 N ASP A 29 13.197 -8.258 -3.995 1.00 1.35 N ATOM 432 CA ASP A 29 13.731 -6.896 -3.984 1.00 34.20 C ATOM 433 C ASP A 29 12.787 -5.856 -4.607 1.00 43.54 C ATOM 434 O ASP A 29 13.181 -4.697 -4.723 1.00 35.01 O ATOM 435 CB ASP A 29 15.064 -6.871 -4.754 1.00 5.21 C ATOM 436 CG ASP A 29 16.157 -7.741 -4.138 1.00 23.12 C ATOM 437 OD1 ASP A 29 16.373 -7.687 -2.904 1.00 23.14 O ATOM 438 OD2 ASP A 29 16.785 -8.520 -4.891 1.00 4.13 O ATOM 0 H ASP A 29 13.690 -8.834 -4.677 1.00 1.35 H new ATOM 0 HA ASP A 29 13.861 -6.623 -2.937 1.00 34.20 H new ATOM 0 HB2 ASP A 29 14.886 -7.201 -5.778 1.00 5.21 H new ATOM 0 HB3 ASP A 29 15.421 -5.842 -4.808 1.00 5.21 H new ATOM 443 N TRP A 30 11.551 -6.202 -5.001 1.00 44.51 N ATOM 444 CA TRP A 30 10.594 -5.236 -5.568 1.00 73.31 C ATOM 445 C TRP A 30 10.435 -3.985 -4.684 1.00 3.23 C ATOM 446 O TRP A 30 10.175 -2.883 -5.168 1.00 5.15 O ATOM 447 CB TRP A 30 9.230 -5.913 -5.786 1.00 40.14 C ATOM 448 CG TRP A 30 8.457 -6.265 -4.543 1.00 1.33 C ATOM 449 CD1 TRP A 30 8.469 -7.453 -3.899 1.00 73.22 C ATOM 450 CD2 TRP A 30 7.537 -5.423 -3.780 1.00 53.44 C ATOM 451 NE1 TRP A 30 7.663 -7.389 -2.784 1.00 1.13 N ATOM 452 CE2 TRP A 30 6.998 -6.187 -2.705 1.00 33.34 C ATOM 453 CE3 TRP A 30 7.087 -4.092 -3.901 1.00 45.13 C ATOM 454 CZ2 TRP A 30 6.027 -5.677 -1.831 1.00 14.42 C ATOM 455 CZ3 TRP A 30 6.131 -3.560 -3.016 1.00 4.02 C ATOM 456 CH2 TRP A 30 5.595 -4.355 -1.988 1.00 51.54 C ATOM 0 H TRP A 30 11.188 -7.153 -4.937 1.00 44.51 H new ATOM 0 HA TRP A 30 10.993 -4.904 -6.526 1.00 73.31 H new ATOM 0 HB2 TRP A 30 8.614 -5.254 -6.397 1.00 40.14 H new ATOM 0 HB3 TRP A 30 9.388 -6.825 -6.361 1.00 40.14 H new ATOM 0 HD1 TRP A 30 9.027 -8.323 -4.212 1.00 73.22 H new ATOM 0 HE1 TRP A 30 7.570 -8.141 -2.101 1.00 1.13 H new ATOM 0 HE3 TRP A 30 7.484 -3.469 -4.689 1.00 45.13 H new ATOM 0 HZ2 TRP A 30 5.618 -6.297 -1.047 1.00 14.42 H new ATOM 0 HZ3 TRP A 30 5.807 -2.536 -3.127 1.00 4.02 H new ATOM 0 HH2 TRP A 30 4.851 -3.946 -1.320 1.00 51.54 H new ATOM 467 N VAL A 31 10.621 -4.165 -3.378 1.00 3.13 N ATOM 468 CA VAL A 31 10.573 -3.146 -2.347 1.00 50.14 C ATOM 469 C VAL A 31 11.615 -2.039 -2.584 1.00 61.01 C ATOM 470 O VAL A 31 11.337 -0.875 -2.288 1.00 63.04 O ATOM 471 CB VAL A 31 10.709 -3.888 -1.000 1.00 35.04 C ATOM 472 CG1 VAL A 31 10.967 -2.983 0.203 1.00 2.24 C ATOM 473 CG2 VAL A 31 9.438 -4.726 -0.762 1.00 44.52 C ATOM 0 H VAL A 31 10.822 -5.088 -2.993 1.00 3.13 H new ATOM 0 HA VAL A 31 9.630 -2.599 -2.356 1.00 50.14 H new ATOM 0 HB VAL A 31 11.595 -4.518 -1.083 1.00 35.04 H new ATOM 0 HG11 VAL A 31 11.048 -3.590 1.104 1.00 2.24 H new ATOM 0 HG12 VAL A 31 11.895 -2.432 0.052 1.00 2.24 H new ATOM 0 HG13 VAL A 31 10.142 -2.280 0.313 1.00 2.24 H new ATOM 0 HG21 VAL A 31 9.523 -5.255 0.187 1.00 44.52 H new ATOM 0 HG22 VAL A 31 8.569 -4.069 -0.735 1.00 44.52 H new ATOM 0 HG23 VAL A 31 9.322 -5.448 -1.570 1.00 44.52 H new ATOM 483 N ASP A 32 12.781 -2.362 -3.150 1.00 40.40 N ATOM 484 CA ASP A 32 13.826 -1.375 -3.446 1.00 60.42 C ATOM 485 C ASP A 32 13.647 -0.769 -4.844 1.00 34.21 C ATOM 486 O ASP A 32 14.189 0.287 -5.175 1.00 2.31 O ATOM 487 CB ASP A 32 15.213 -2.025 -3.351 1.00 52.25 C ATOM 488 CG ASP A 32 16.182 -1.128 -2.566 1.00 51.44 C ATOM 489 OD1 ASP A 32 16.483 0.011 -2.977 1.00 1.03 O ATOM 490 OD2 ASP A 32 16.619 -1.586 -1.479 1.00 72.52 O ATOM 0 H ASP A 32 13.028 -3.315 -3.416 1.00 40.40 H new ATOM 0 HA ASP A 32 13.741 -0.577 -2.709 1.00 60.42 H new ATOM 0 HB2 ASP A 32 15.132 -2.996 -2.862 1.00 52.25 H new ATOM 0 HB3 ASP A 32 15.605 -2.204 -4.352 1.00 52.25 H new ATOM 495 N ARG A 33 12.879 -1.435 -5.711 1.00 3.21 N ATOM 496 CA ARG A 33 12.518 -0.880 -7.008 1.00 62.25 C ATOM 497 C ARG A 33 11.530 0.262 -6.784 1.00 0.34 C ATOM 498 O ARG A 33 11.718 1.351 -7.326 1.00 14.51 O ATOM 499 CB ARG A 33 11.979 -1.981 -7.939 1.00 53.20 C ATOM 500 CG ARG A 33 13.028 -3.060 -8.285 1.00 14.25 C ATOM 501 CD ARG A 33 13.820 -2.759 -9.565 1.00 51.24 C ATOM 502 NE ARG A 33 14.802 -1.682 -9.399 1.00 23.52 N ATOM 503 CZ ARG A 33 15.582 -1.189 -10.369 1.00 34.22 C ATOM 504 NH1 ARG A 33 15.487 -1.597 -11.632 1.00 62.24 N ATOM 505 NH2 ARG A 33 16.481 -0.267 -10.062 1.00 22.22 N ATOM 0 H ARG A 33 12.496 -2.363 -5.532 1.00 3.21 H new ATOM 0 HA ARG A 33 13.394 -0.473 -7.513 1.00 62.25 H new ATOM 0 HB2 ARG A 33 11.120 -2.458 -7.466 1.00 53.20 H new ATOM 0 HB3 ARG A 33 11.621 -1.523 -8.861 1.00 53.20 H new ATOM 0 HG2 ARG A 33 13.724 -3.159 -7.452 1.00 14.25 H new ATOM 0 HG3 ARG A 33 12.526 -4.021 -8.396 1.00 14.25 H new ATOM 0 HD2 ARG A 33 14.335 -3.664 -9.887 1.00 51.24 H new ATOM 0 HD3 ARG A 33 13.124 -2.488 -10.359 1.00 51.24 H new ATOM 0 HE ARG A 33 14.898 -1.275 -8.468 1.00 23.52 H new ATOM 0 HH11 ARG A 33 14.802 -2.309 -11.888 1.00 62.24 H new ATOM 0 HH12 ARG A 33 16.099 -1.198 -12.344 1.00 62.24 H new ATOM 0 HH21 ARG A 33 16.571 0.057 -9.099 1.00 22.22 H new ATOM 0 HH22 ARG A 33 17.084 0.120 -10.788 1.00 22.22 H new ATOM 519 N MET A 34 10.500 0.000 -5.981 1.00 73.03 N ATOM 520 CA MET A 34 9.390 0.911 -5.725 1.00 53.04 C ATOM 521 C MET A 34 9.810 2.173 -4.972 1.00 5.25 C ATOM 522 O MET A 34 9.341 3.259 -5.310 1.00 50.31 O ATOM 523 CB MET A 34 8.318 0.153 -4.940 1.00 54.41 C ATOM 524 CG MET A 34 7.335 -0.528 -5.889 1.00 0.20 C ATOM 525 SD MET A 34 5.931 0.543 -6.266 1.00 50.31 S ATOM 526 CE MET A 34 4.964 0.167 -4.784 1.00 22.35 C ATOM 0 H MET A 34 10.414 -0.882 -5.475 1.00 73.03 H new ATOM 0 HA MET A 34 9.003 1.251 -6.685 1.00 53.04 H new ATOM 0 HB2 MET A 34 8.788 -0.593 -4.299 1.00 54.41 H new ATOM 0 HB3 MET A 34 7.783 0.842 -4.287 1.00 54.41 H new ATOM 0 HG2 MET A 34 7.847 -0.798 -6.813 1.00 0.20 H new ATOM 0 HG3 MET A 34 6.977 -1.455 -5.441 1.00 0.20 H new ATOM 0 HE1 MET A 34 3.965 -0.159 -5.074 1.00 22.35 H new ATOM 0 HE2 MET A 34 5.455 -0.626 -4.220 1.00 22.35 H new ATOM 0 HE3 MET A 34 4.888 1.060 -4.163 1.00 22.35 H new ATOM 536 N CYS A 35 10.674 2.079 -3.952 1.00 33.41 N ATOM 537 CA CYS A 35 11.086 3.273 -3.212 1.00 31.33 C ATOM 538 C CYS A 35 11.794 4.259 -4.152 1.00 64.23 C ATOM 539 O CYS A 35 11.512 5.458 -4.126 1.00 32.23 O ATOM 540 CB CYS A 35 11.938 2.891 -1.994 1.00 51.11 C ATOM 541 SG CYS A 35 13.423 1.999 -2.498 1.00 1.14 S ATOM 0 H CYS A 35 11.092 1.207 -3.628 1.00 33.41 H new ATOM 0 HA CYS A 35 10.203 3.780 -2.823 1.00 31.33 H new ATOM 0 HB2 CYS A 35 12.218 3.790 -1.445 1.00 51.11 H new ATOM 0 HB3 CYS A 35 11.351 2.273 -1.315 1.00 51.11 H new ATOM 0 HG CYS A 35 14.450 2.794 -2.432 1.00 1.14 H new ATOM 547 N SER A 36 12.657 3.747 -5.034 1.00 31.33 N ATOM 548 CA SER A 36 13.319 4.508 -6.076 1.00 5.52 C ATOM 549 C SER A 36 12.335 5.083 -7.101 1.00 72.13 C ATOM 550 O SER A 36 12.576 6.193 -7.576 1.00 0.32 O ATOM 551 CB SER A 36 14.364 3.625 -6.747 1.00 33.31 C ATOM 552 OG SER A 36 15.412 3.332 -5.845 1.00 54.22 O ATOM 0 H SER A 36 12.916 2.761 -5.035 1.00 31.33 H new ATOM 0 HA SER A 36 13.806 5.368 -5.615 1.00 5.52 H new ATOM 0 HB2 SER A 36 13.902 2.700 -7.090 1.00 33.31 H new ATOM 0 HB3 SER A 36 14.763 4.128 -7.628 1.00 33.31 H new ATOM 0 HG SER A 36 16.076 2.763 -6.288 1.00 54.22 H new ATOM 558 N THR A 37 11.230 4.404 -7.439 1.00 65.34 N ATOM 559 CA THR A 37 10.234 4.918 -8.384 1.00 14.13 C ATOM 560 C THR A 37 9.747 6.308 -7.970 1.00 33.43 C ATOM 561 O THR A 37 9.721 7.210 -8.805 1.00 21.53 O ATOM 562 CB THR A 37 9.074 3.915 -8.536 1.00 41.32 C ATOM 563 OG1 THR A 37 9.583 2.675 -8.988 1.00 15.33 O ATOM 564 CG2 THR A 37 7.980 4.358 -9.512 1.00 24.11 C ATOM 0 H THR A 37 11.003 3.483 -7.064 1.00 65.34 H new ATOM 0 HA THR A 37 10.703 5.029 -9.362 1.00 14.13 H new ATOM 0 HB THR A 37 8.616 3.842 -7.550 1.00 41.32 H new ATOM 0 HG1 THR A 37 10.146 2.278 -8.290 1.00 15.33 H new ATOM 0 HG21 THR A 37 7.203 3.595 -9.559 1.00 24.11 H new ATOM 0 HG22 THR A 37 7.546 5.297 -9.170 1.00 24.11 H new ATOM 0 HG23 THR A 37 8.411 4.498 -10.503 1.00 24.11 H new ATOM 572 N TYR A 38 9.412 6.520 -6.697 1.00 21.13 N ATOM 573 CA TYR A 38 8.879 7.801 -6.237 1.00 15.14 C ATOM 574 C TYR A 38 9.946 8.709 -5.628 1.00 13.02 C ATOM 575 O TYR A 38 9.631 9.829 -5.215 1.00 1.11 O ATOM 576 CB TYR A 38 7.725 7.546 -5.270 1.00 25.52 C ATOM 577 CG TYR A 38 6.510 6.978 -5.971 1.00 12.01 C ATOM 578 CD1 TYR A 38 5.598 7.858 -6.589 1.00 14.23 C ATOM 579 CD2 TYR A 38 6.314 5.584 -6.054 1.00 12.33 C ATOM 580 CE1 TYR A 38 4.489 7.348 -7.282 1.00 42.31 C ATOM 581 CE2 TYR A 38 5.202 5.071 -6.741 1.00 51.24 C ATOM 582 CZ TYR A 38 4.300 5.952 -7.376 1.00 23.34 C ATOM 583 OH TYR A 38 3.277 5.461 -8.114 1.00 55.41 O ATOM 0 H TYR A 38 9.501 5.817 -5.964 1.00 21.13 H new ATOM 0 HA TYR A 38 8.507 8.345 -7.105 1.00 15.14 H new ATOM 0 HB2 TYR A 38 8.050 6.855 -4.492 1.00 25.52 H new ATOM 0 HB3 TYR A 38 7.454 8.479 -4.775 1.00 25.52 H new ATOM 0 HD1 TYR A 38 5.753 8.925 -6.529 1.00 14.23 H new ATOM 0 HD2 TYR A 38 7.019 4.911 -5.589 1.00 12.33 H new ATOM 0 HE1 TYR A 38 3.782 8.022 -7.742 1.00 42.31 H new ATOM 0 HE2 TYR A 38 5.037 4.005 -6.784 1.00 51.24 H new ATOM 0 HH TYR A 38 2.441 5.544 -7.610 1.00 55.41 H new ATOM 593 N ALA A 39 11.199 8.262 -5.562 1.00 14.43 N ATOM 594 CA ALA A 39 12.331 9.059 -5.156 1.00 11.22 C ATOM 595 C ALA A 39 12.598 10.157 -6.191 1.00 14.31 C ATOM 596 O ALA A 39 12.083 10.135 -7.313 1.00 11.43 O ATOM 597 CB ALA A 39 13.532 8.116 -5.023 1.00 15.03 C ATOM 0 H ALA A 39 11.451 7.303 -5.800 1.00 14.43 H new ATOM 0 HA ALA A 39 12.141 9.553 -4.203 1.00 11.22 H new ATOM 0 HB1 ALA A 39 14.409 8.685 -4.716 1.00 15.03 H new ATOM 0 HB2 ALA A 39 13.315 7.353 -4.275 1.00 15.03 H new ATOM 0 HB3 ALA A 39 13.727 7.638 -5.983 1.00 15.03 H new ATOM 603 N SER A 40 13.461 11.081 -5.800 1.00 0.33 N ATOM 604 CA SER A 40 14.009 12.165 -6.607 1.00 24.13 C ATOM 605 C SER A 40 15.517 12.229 -6.379 1.00 72.40 C ATOM 606 O SER A 40 16.014 11.788 -5.343 1.00 24.23 O ATOM 607 CB SER A 40 13.314 13.482 -6.232 1.00 72.21 C ATOM 608 OG SER A 40 13.158 13.644 -4.827 1.00 14.51 O ATOM 0 H SER A 40 13.823 11.096 -4.846 1.00 0.33 H new ATOM 0 HA SER A 40 13.830 11.990 -7.668 1.00 24.13 H new ATOM 0 HB2 SER A 40 13.892 14.317 -6.627 1.00 72.21 H new ATOM 0 HB3 SER A 40 12.334 13.519 -6.708 1.00 72.21 H new ATOM 0 HG SER A 40 12.713 14.497 -4.644 1.00 14.51 H new ATOM 728 N ARG A 48 16.922 9.746 -3.737 1.00 43.41 N ATOM 729 CA ARG A 48 16.629 9.969 -2.333 1.00 15.20 C ATOM 730 C ARG A 48 15.205 9.502 -2.137 1.00 43.31 C ATOM 731 O ARG A 48 14.284 10.120 -2.671 1.00 32.12 O ATOM 732 CB ARG A 48 16.827 11.462 -1.976 1.00 13.02 C ATOM 733 CG ARG A 48 17.406 11.629 -0.567 1.00 20.55 C ATOM 734 CD ARG A 48 16.442 11.197 0.538 1.00 42.23 C ATOM 735 NE ARG A 48 17.132 11.044 1.826 1.00 54.23 N ATOM 736 CZ ARG A 48 16.727 10.228 2.805 1.00 72.34 C ATOM 737 NH1 ARG A 48 15.595 9.535 2.679 1.00 32.22 N ATOM 738 NH2 ARG A 48 17.439 10.118 3.918 1.00 64.34 N ATOM 0 HA ARG A 48 17.298 9.421 -1.670 1.00 15.20 H new ATOM 0 HB2 ARG A 48 17.494 11.926 -2.702 1.00 13.02 H new ATOM 0 HB3 ARG A 48 15.872 11.983 -2.042 1.00 13.02 H new ATOM 0 HG2 ARG A 48 18.324 11.046 -0.487 1.00 20.55 H new ATOM 0 HG3 ARG A 48 17.678 12.674 -0.415 1.00 20.55 H new ATOM 0 HD2 ARG A 48 15.646 11.935 0.636 1.00 42.23 H new ATOM 0 HD3 ARG A 48 15.970 10.254 0.262 1.00 42.23 H new ATOM 0 HE ARG A 48 17.975 11.596 1.984 1.00 54.23 H new ATOM 0 HH11 ARG A 48 15.033 9.626 1.833 1.00 32.22 H new ATOM 0 HH12 ARG A 48 15.291 8.914 3.429 1.00 32.22 H new ATOM 0 HH21 ARG A 48 18.298 10.657 4.029 1.00 64.34 H new ATOM 0 HH22 ARG A 48 17.128 9.495 4.663 1.00 64.34 H new ATOM 752 N TYR A 49 15.037 8.384 -1.435 1.00 72.10 N ATOM 753 CA TYR A 49 13.723 7.808 -1.196 1.00 31.55 C ATOM 754 C TYR A 49 12.821 8.860 -0.554 1.00 41.31 C ATOM 755 O TYR A 49 13.245 9.575 0.366 1.00 71.23 O ATOM 756 CB TYR A 49 13.836 6.534 -0.348 1.00 3.24 C ATOM 757 CG TYR A 49 14.735 5.422 -0.878 1.00 52.22 C ATOM 758 CD1 TYR A 49 15.120 5.358 -2.234 1.00 40.11 C ATOM 759 CD2 TYR A 49 15.167 4.414 0.006 1.00 12.43 C ATOM 760 CE1 TYR A 49 15.962 4.329 -2.686 1.00 53.41 C ATOM 761 CE2 TYR A 49 15.984 3.363 -0.446 1.00 4.04 C ATOM 762 CZ TYR A 49 16.387 3.315 -1.797 1.00 52.04 C ATOM 763 OH TYR A 49 17.264 2.359 -2.212 1.00 2.21 O ATOM 0 H TYR A 49 15.805 7.857 -1.019 1.00 72.10 H new ATOM 0 HA TYR A 49 13.271 7.510 -2.142 1.00 31.55 H new ATOM 0 HB2 TYR A 49 14.196 6.817 0.641 1.00 3.24 H new ATOM 0 HB3 TYR A 49 12.834 6.125 -0.217 1.00 3.24 H new ATOM 0 HD1 TYR A 49 14.765 6.105 -2.929 1.00 40.11 H new ATOM 0 HD2 TYR A 49 14.867 4.449 1.043 1.00 12.43 H new ATOM 0 HE1 TYR A 49 16.286 4.312 -3.716 1.00 53.41 H new ATOM 0 HE2 TYR A 49 16.303 2.593 0.241 1.00 4.04 H new ATOM 0 HH TYR A 49 16.772 1.548 -2.457 1.00 2.21 H new ATOM 773 N SER A 50 11.620 8.990 -1.109 1.00 2.23 N ATOM 774 CA SER A 50 10.586 9.894 -0.643 1.00 72.44 C ATOM 775 C SER A 50 10.002 9.382 0.674 1.00 75.45 C ATOM 776 O SER A 50 10.074 8.184 0.959 1.00 42.32 O ATOM 777 CB SER A 50 9.546 10.030 -1.763 1.00 44.11 C ATOM 778 OG SER A 50 10.136 10.821 -2.779 1.00 33.12 O ATOM 0 H SER A 50 11.335 8.447 -1.924 1.00 2.23 H new ATOM 0 HA SER A 50 10.982 10.886 -0.426 1.00 72.44 H new ATOM 0 HB2 SER A 50 9.265 9.051 -2.150 1.00 44.11 H new ATOM 0 HB3 SER A 50 8.635 10.498 -1.389 1.00 44.11 H new ATOM 0 HG SER A 50 9.770 10.561 -3.650 1.00 33.12 H new ATOM 784 N PRO A 51 9.404 10.262 1.492 1.00 45.31 N ATOM 785 CA PRO A 51 8.933 9.899 2.819 1.00 15.23 C ATOM 786 C PRO A 51 7.775 8.904 2.760 1.00 75.54 C ATOM 787 O PRO A 51 7.593 8.151 3.714 1.00 71.12 O ATOM 788 CB PRO A 51 8.503 11.212 3.489 1.00 64.15 C ATOM 789 CG PRO A 51 8.212 12.147 2.318 1.00 3.05 C ATOM 790 CD PRO A 51 9.165 11.671 1.231 1.00 33.42 C ATOM 0 HA PRO A 51 9.719 9.400 3.386 1.00 15.23 H new ATOM 0 HB2 PRO A 51 7.622 11.071 4.115 1.00 64.15 H new ATOM 0 HB3 PRO A 51 9.290 11.609 4.131 1.00 64.15 H new ATOM 0 HG2 PRO A 51 7.172 12.077 1.998 1.00 3.05 H new ATOM 0 HG3 PRO A 51 8.394 13.189 2.582 1.00 3.05 H new ATOM 0 HD2 PRO A 51 8.731 11.816 0.242 1.00 33.42 H new ATOM 0 HD3 PRO A 51 10.097 12.235 1.256 1.00 33.42 H new ATOM 798 N TYR A 52 7.023 8.866 1.654 1.00 61.22 N ATOM 799 CA TYR A 52 5.733 8.199 1.576 1.00 61.22 C ATOM 800 C TYR A 52 5.824 6.701 1.296 1.00 23.51 C ATOM 801 O TYR A 52 4.817 6.104 0.901 1.00 4.44 O ATOM 802 CB TYR A 52 4.821 8.931 0.567 1.00 12.40 C ATOM 803 CG TYR A 52 4.787 10.433 0.736 1.00 74.25 C ATOM 804 CD1 TYR A 52 4.395 10.955 1.971 1.00 1.11 C ATOM 805 CD2 TYR A 52 5.154 11.304 -0.309 1.00 34.12 C ATOM 806 CE1 TYR A 52 4.402 12.330 2.193 1.00 54.24 C ATOM 807 CE2 TYR A 52 5.141 12.695 -0.105 1.00 14.24 C ATOM 808 CZ TYR A 52 4.777 13.211 1.159 1.00 1.33 C ATOM 809 OH TYR A 52 4.762 14.547 1.389 1.00 71.12 O ATOM 0 H TYR A 52 7.304 9.307 0.778 1.00 61.22 H new ATOM 0 HA TYR A 52 5.282 8.261 2.567 1.00 61.22 H new ATOM 0 HB2 TYR A 52 5.156 8.698 -0.444 1.00 12.40 H new ATOM 0 HB3 TYR A 52 3.807 8.543 0.664 1.00 12.40 H new ATOM 0 HD1 TYR A 52 4.084 10.287 2.760 1.00 1.11 H new ATOM 0 HD2 TYR A 52 5.446 10.902 -1.268 1.00 34.12 H new ATOM 0 HE1 TYR A 52 4.120 12.722 3.159 1.00 54.24 H new ATOM 0 HE2 TYR A 52 5.408 13.365 -0.909 1.00 14.24 H new ATOM 0 HH TYR A 52 5.047 15.021 0.580 1.00 71.12 H new ATOM 819 N LEU A 53 7.014 6.104 1.398 1.00 33.12 N ATOM 820 CA LEU A 53 7.285 4.756 0.921 1.00 5.54 C ATOM 821 C LEU A 53 8.426 4.168 1.749 1.00 12.35 C ATOM 822 O LEU A 53 9.556 4.628 1.593 1.00 40.32 O ATOM 823 CB LEU A 53 7.634 4.830 -0.582 1.00 33.15 C ATOM 824 CG LEU A 53 6.543 4.204 -1.471 1.00 62.44 C ATOM 825 CD1 LEU A 53 6.814 4.524 -2.938 1.00 52.35 C ATOM 826 CD2 LEU A 53 6.492 2.685 -1.329 1.00 45.32 C ATOM 0 H LEU A 53 7.825 6.555 1.822 1.00 33.12 H new ATOM 0 HA LEU A 53 6.417 4.106 1.035 1.00 5.54 H new ATOM 0 HB2 LEU A 53 7.778 5.872 -0.868 1.00 33.15 H new ATOM 0 HB3 LEU A 53 8.580 4.318 -0.758 1.00 33.15 H new ATOM 0 HG LEU A 53 5.592 4.627 -1.146 1.00 62.44 H new ATOM 0 HD11 LEU A 53 6.037 4.077 -3.558 1.00 52.35 H new ATOM 0 HD12 LEU A 53 6.815 5.605 -3.081 1.00 52.35 H new ATOM 0 HD13 LEU A 53 7.785 4.120 -3.225 1.00 52.35 H new ATOM 0 HD21 LEU A 53 5.709 2.285 -1.973 1.00 45.32 H new ATOM 0 HD22 LEU A 53 7.453 2.260 -1.619 1.00 45.32 H new ATOM 0 HD23 LEU A 53 6.278 2.423 -0.293 1.00 45.32 H new ATOM 838 N LYS A 54 8.164 3.203 2.649 1.00 41.51 N ATOM 839 CA LYS A 54 9.220 2.553 3.450 1.00 33.54 C ATOM 840 C LYS A 54 8.962 1.060 3.709 1.00 75.22 C ATOM 841 O LYS A 54 7.801 0.658 3.865 1.00 13.15 O ATOM 842 CB LYS A 54 9.404 3.248 4.810 1.00 51.21 C ATOM 843 CG LYS A 54 9.971 4.671 4.701 1.00 32.54 C ATOM 844 CD LYS A 54 10.756 5.157 5.926 1.00 42.25 C ATOM 845 CE LYS A 54 10.063 4.969 7.282 1.00 52.32 C ATOM 846 NZ LYS A 54 10.321 3.646 7.894 1.00 43.34 N ATOM 0 H LYS A 54 7.225 2.854 2.841 1.00 41.51 H new ATOM 0 HA LYS A 54 10.123 2.647 2.847 1.00 33.54 H new ATOM 0 HB2 LYS A 54 8.442 3.287 5.322 1.00 51.21 H new ATOM 0 HB3 LYS A 54 10.070 2.647 5.429 1.00 51.21 H new ATOM 0 HG2 LYS A 54 10.623 4.719 3.829 1.00 32.54 H new ATOM 0 HG3 LYS A 54 9.146 5.361 4.521 1.00 32.54 H new ATOM 0 HD2 LYS A 54 11.712 4.634 5.952 1.00 42.25 H new ATOM 0 HD3 LYS A 54 10.976 6.217 5.796 1.00 42.25 H new ATOM 0 HE2 LYS A 54 10.399 5.749 7.965 1.00 52.32 H new ATOM 0 HE3 LYS A 54 8.988 5.099 7.154 1.00 52.32 H new ATOM 0 HZ1 LYS A 54 10.228 3.717 8.927 1.00 43.34 H new ATOM 0 HZ2 LYS A 54 9.633 2.956 7.531 1.00 43.34 H new ATOM 0 HZ3 LYS A 54 11.284 3.334 7.654 1.00 43.34 H new ATOM 860 N PRO A 55 10.010 0.218 3.797 1.00 14.22 N ATOM 861 CA PRO A 55 9.878 -1.226 3.982 1.00 23.34 C ATOM 862 C PRO A 55 9.421 -1.582 5.396 1.00 75.12 C ATOM 863 O PRO A 55 9.437 -0.741 6.301 1.00 53.12 O ATOM 864 CB PRO A 55 11.275 -1.796 3.696 1.00 61.21 C ATOM 865 CG PRO A 55 12.218 -0.648 4.033 1.00 63.44 C ATOM 866 CD PRO A 55 11.408 0.565 3.591 1.00 54.21 C ATOM 0 HA PRO A 55 9.119 -1.641 3.319 1.00 23.34 H new ATOM 0 HB2 PRO A 55 11.481 -2.674 4.308 1.00 61.21 H new ATOM 0 HB3 PRO A 55 11.375 -2.102 2.655 1.00 61.21 H new ATOM 0 HG2 PRO A 55 12.457 -0.614 5.096 1.00 63.44 H new ATOM 0 HG3 PRO A 55 13.164 -0.725 3.496 1.00 63.44 H new ATOM 0 HD2 PRO A 55 11.680 1.447 4.171 1.00 54.21 H new ATOM 0 HD3 PRO A 55 11.600 0.801 2.544 1.00 54.21 H new ATOM 874 N ARG A 56 9.063 -2.848 5.594 1.00 20.31 N ATOM 875 CA ARG A 56 8.857 -3.488 6.890 1.00 4.45 C ATOM 876 C ARG A 56 9.480 -4.887 6.899 1.00 22.24 C ATOM 877 O ARG A 56 10.254 -5.252 6.012 1.00 70.23 O ATOM 878 CB ARG A 56 7.345 -3.503 7.199 1.00 31.44 C ATOM 879 CG ARG A 56 6.992 -2.325 8.108 1.00 0.32 C ATOM 880 CD ARG A 56 5.519 -2.395 8.453 1.00 12.32 C ATOM 881 NE ARG A 56 5.140 -1.385 9.445 1.00 62.21 N ATOM 882 CZ ARG A 56 4.877 -0.103 9.190 1.00 74.24 C ATOM 883 NH1 ARG A 56 4.973 0.361 7.950 1.00 54.20 N ATOM 884 NH2 ARG A 56 4.531 0.705 10.176 1.00 33.21 N ATOM 0 H ARG A 56 8.901 -3.487 4.816 1.00 20.31 H new ATOM 0 HA ARG A 56 9.357 -2.927 7.679 1.00 4.45 H new ATOM 0 HB2 ARG A 56 6.774 -3.443 6.272 1.00 31.44 H new ATOM 0 HB3 ARG A 56 7.072 -4.441 7.682 1.00 31.44 H new ATOM 0 HG2 ARG A 56 7.594 -2.356 9.016 1.00 0.32 H new ATOM 0 HG3 ARG A 56 7.218 -1.383 7.609 1.00 0.32 H new ATOM 0 HD2 ARG A 56 4.927 -2.255 7.548 1.00 12.32 H new ATOM 0 HD3 ARG A 56 5.283 -3.387 8.837 1.00 12.32 H new ATOM 0 HE ARG A 56 5.071 -1.690 10.416 1.00 62.21 H new ATOM 0 HH11 ARG A 56 5.248 -0.263 7.192 1.00 54.20 H new ATOM 0 HH12 ARG A 56 4.772 1.342 7.755 1.00 54.20 H new ATOM 0 HH21 ARG A 56 4.466 0.348 11.129 1.00 33.21 H new ATOM 0 HH22 ARG A 56 4.329 1.686 9.984 1.00 33.21 H new ATOM 898 N VAL A 57 9.154 -5.652 7.936 1.00 53.02 N ATOM 899 CA VAL A 57 8.975 -7.093 7.881 1.00 42.55 C ATOM 900 C VAL A 57 7.576 -7.333 8.453 1.00 31.22 C ATOM 901 O VAL A 57 7.253 -6.785 9.507 1.00 0.45 O ATOM 902 CB VAL A 57 10.091 -7.811 8.673 1.00 74.13 C ATOM 903 CG1 VAL A 57 9.880 -9.331 8.676 1.00 61.13 C ATOM 904 CG2 VAL A 57 11.486 -7.528 8.092 1.00 74.31 C ATOM 0 H VAL A 57 9.003 -5.269 8.869 1.00 53.02 H new ATOM 0 HA VAL A 57 9.050 -7.497 6.872 1.00 42.55 H new ATOM 0 HB VAL A 57 10.036 -7.420 9.689 1.00 74.13 H new ATOM 0 HG11 VAL A 57 10.681 -9.808 9.241 1.00 61.13 H new ATOM 0 HG12 VAL A 57 8.921 -9.564 9.138 1.00 61.13 H new ATOM 0 HG13 VAL A 57 9.888 -9.702 7.651 1.00 61.13 H new ATOM 0 HG21 VAL A 57 12.239 -8.053 8.680 1.00 74.31 H new ATOM 0 HG22 VAL A 57 11.527 -7.874 7.059 1.00 74.31 H new ATOM 0 HG23 VAL A 57 11.683 -6.456 8.124 1.00 74.31 H new ATOM 914 N ILE A 58 6.758 -8.126 7.766 1.00 60.21 N ATOM 915 CA ILE A 58 5.454 -8.616 8.192 1.00 4.24 C ATOM 916 C ILE A 58 5.565 -10.126 8.030 1.00 2.23 C ATOM 917 O ILE A 58 5.697 -10.586 6.902 1.00 74.35 O ATOM 918 CB ILE A 58 4.317 -8.050 7.306 1.00 2.43 C ATOM 919 CG1 ILE A 58 4.282 -6.507 7.237 1.00 50.24 C ATOM 920 CG2 ILE A 58 2.950 -8.617 7.732 1.00 64.21 C ATOM 921 CD1 ILE A 58 3.850 -5.816 8.533 1.00 0.01 C ATOM 0 H ILE A 58 7.007 -8.464 6.836 1.00 60.21 H new ATOM 0 HA ILE A 58 5.209 -8.312 9.210 1.00 4.24 H new ATOM 0 HB ILE A 58 4.539 -8.384 6.292 1.00 2.43 H new ATOM 0 HG12 ILE A 58 5.274 -6.147 6.963 1.00 50.24 H new ATOM 0 HG13 ILE A 58 3.603 -6.208 6.439 1.00 50.24 H new ATOM 0 HG21 ILE A 58 2.169 -8.203 7.094 1.00 64.21 H new ATOM 0 HG22 ILE A 58 2.960 -9.703 7.635 1.00 64.21 H new ATOM 0 HG23 ILE A 58 2.751 -8.347 8.769 1.00 64.21 H new ATOM 0 HD11 ILE A 58 3.856 -4.736 8.389 1.00 0.01 H new ATOM 0 HD12 ILE A 58 2.845 -6.141 8.801 1.00 0.01 H new ATOM 0 HD13 ILE A 58 4.542 -6.079 9.333 1.00 0.01 H new ATOM 933 N GLU A 59 5.583 -10.897 9.117 1.00 21.33 N ATOM 934 CA GLU A 59 5.647 -12.366 9.076 1.00 32.32 C ATOM 935 C GLU A 59 6.843 -12.912 8.258 1.00 25.04 C ATOM 936 O GLU A 59 6.825 -14.038 7.762 1.00 75.25 O ATOM 937 CB GLU A 59 4.299 -12.955 8.609 1.00 13.43 C ATOM 938 CG GLU A 59 3.108 -12.498 9.461 1.00 40.50 C ATOM 939 CD GLU A 59 1.801 -13.229 9.129 1.00 40.11 C ATOM 940 OE1 GLU A 59 1.800 -14.264 8.431 1.00 24.14 O ATOM 941 OE2 GLU A 59 0.735 -12.826 9.649 1.00 53.42 O ATOM 0 H GLU A 59 5.553 -10.519 10.064 1.00 21.33 H new ATOM 0 HA GLU A 59 5.831 -12.702 10.097 1.00 32.32 H new ATOM 0 HB2 GLU A 59 4.126 -12.669 7.572 1.00 13.43 H new ATOM 0 HB3 GLU A 59 4.358 -14.043 8.634 1.00 13.43 H new ATOM 0 HG2 GLU A 59 3.344 -12.653 10.514 1.00 40.50 H new ATOM 0 HG3 GLU A 59 2.961 -11.427 9.321 1.00 40.50 H new ATOM 948 N GLY A 60 7.918 -12.133 8.109 1.00 23.11 N ATOM 949 CA GLY A 60 9.099 -12.490 7.320 1.00 72.41 C ATOM 950 C GLY A 60 9.022 -12.028 5.863 1.00 73.20 C ATOM 951 O GLY A 60 10.020 -12.106 5.142 1.00 11.42 O ATOM 0 H GLY A 60 7.992 -11.214 8.545 1.00 23.11 H new ATOM 0 HA2 GLY A 60 9.983 -12.053 7.785 1.00 72.41 H new ATOM 0 HA3 GLY A 60 9.228 -13.572 7.343 1.00 72.41 H new ATOM 955 N VAL A 61 7.878 -11.521 5.418 1.00 51.12 N ATOM 956 CA VAL A 61 7.727 -10.856 4.137 1.00 5.23 C ATOM 957 C VAL A 61 8.231 -9.428 4.295 1.00 53.40 C ATOM 958 O VAL A 61 7.987 -8.799 5.319 1.00 13.41 O ATOM 959 CB VAL A 61 6.253 -10.835 3.699 1.00 30.43 C ATOM 960 CG1 VAL A 61 6.198 -10.538 2.191 1.00 51.32 C ATOM 961 CG2 VAL A 61 5.521 -12.142 4.024 1.00 11.33 C ATOM 0 H VAL A 61 7.011 -11.564 5.954 1.00 51.12 H new ATOM 0 HA VAL A 61 8.295 -11.391 3.376 1.00 5.23 H new ATOM 0 HB VAL A 61 5.737 -10.055 4.259 1.00 30.43 H new ATOM 0 HG11 VAL A 61 5.159 -10.519 1.862 1.00 51.32 H new ATOM 0 HG12 VAL A 61 6.659 -9.570 1.994 1.00 51.32 H new ATOM 0 HG13 VAL A 61 6.737 -11.314 1.647 1.00 51.32 H new ATOM 0 HG21 VAL A 61 4.485 -12.071 3.693 1.00 11.33 H new ATOM 0 HG22 VAL A 61 6.010 -12.970 3.511 1.00 11.33 H new ATOM 0 HG23 VAL A 61 5.547 -12.316 5.100 1.00 11.33 H new ATOM 971 N ARG A 62 8.871 -8.893 3.259 1.00 12.02 N ATOM 972 CA ARG A 62 9.326 -7.508 3.211 1.00 21.20 C ATOM 973 C ARG A 62 8.155 -6.527 3.341 1.00 60.01 C ATOM 974 O ARG A 62 8.021 -5.825 4.340 1.00 41.41 O ATOM 975 CB ARG A 62 10.093 -7.294 1.904 1.00 2.33 C ATOM 976 CG ARG A 62 11.255 -8.270 1.702 1.00 32.11 C ATOM 977 CD ARG A 62 12.155 -7.692 0.626 1.00 54.12 C ATOM 978 NE ARG A 62 13.184 -8.664 0.241 1.00 60.23 N ATOM 979 CZ ARG A 62 14.388 -8.315 -0.237 1.00 52.45 C ATOM 980 NH1 ARG A 62 14.869 -7.092 -0.031 1.00 44.15 N ATOM 981 NH2 ARG A 62 15.105 -9.164 -0.957 1.00 64.15 N ATOM 0 H ARG A 62 9.092 -9.420 2.414 1.00 12.02 H new ATOM 0 HA ARG A 62 9.986 -7.313 4.056 1.00 21.20 H new ATOM 0 HB2 ARG A 62 9.401 -7.390 1.068 1.00 2.33 H new ATOM 0 HB3 ARG A 62 10.479 -6.275 1.883 1.00 2.33 H new ATOM 0 HG2 ARG A 62 11.808 -8.406 2.632 1.00 32.11 H new ATOM 0 HG3 ARG A 62 10.884 -9.251 1.405 1.00 32.11 H new ATOM 0 HD2 ARG A 62 11.560 -7.418 -0.246 1.00 54.12 H new ATOM 0 HD3 ARG A 62 12.626 -6.779 0.990 1.00 54.12 H new ATOM 0 HE ARG A 62 12.973 -9.657 0.342 1.00 60.23 H new ATOM 0 HH11 ARG A 62 14.321 -6.410 0.494 1.00 44.15 H new ATOM 0 HH12 ARG A 62 15.785 -6.836 -0.398 1.00 44.15 H new ATOM 0 HH21 ARG A 62 14.743 -10.097 -1.155 1.00 64.15 H new ATOM 0 HH22 ARG A 62 16.019 -8.885 -1.314 1.00 64.15 H new ATOM 995 N CYS A 63 7.290 -6.506 2.323 1.00 71.42 N ATOM 996 CA CYS A 63 6.203 -5.546 2.146 1.00 41.13 C ATOM 997 C CYS A 63 6.732 -4.112 1.982 1.00 40.30 C ATOM 998 O CYS A 63 7.921 -3.839 2.164 1.00 65.24 O ATOM 999 CB CYS A 63 5.194 -5.661 3.299 1.00 52.01 C ATOM 1000 SG CYS A 63 4.781 -7.403 3.616 1.00 13.53 S ATOM 0 H CYS A 63 7.333 -7.190 1.567 1.00 71.42 H new ATOM 0 HA CYS A 63 5.681 -5.789 1.221 1.00 41.13 H new ATOM 0 HB2 CYS A 63 5.610 -5.210 4.200 1.00 52.01 H new ATOM 0 HB3 CYS A 63 4.289 -5.106 3.054 1.00 52.01 H new ATOM 0 HG CYS A 63 3.780 -7.468 4.443 1.00 13.53 H new ATOM 1006 N LEU A 64 5.849 -3.182 1.615 1.00 34.00 N ATOM 1007 CA LEU A 64 6.176 -1.764 1.490 1.00 74.44 C ATOM 1008 C LEU A 64 4.964 -0.983 1.962 1.00 4.42 C ATOM 1009 O LEU A 64 3.846 -1.251 1.516 1.00 5.40 O ATOM 1010 CB LEU A 64 6.479 -1.385 0.033 1.00 23.24 C ATOM 1011 CG LEU A 64 7.882 -0.915 -0.312 1.00 74.40 C ATOM 1012 CD1 LEU A 64 7.901 -0.524 -1.785 1.00 61.01 C ATOM 1013 CD2 LEU A 64 8.398 0.232 0.551 1.00 72.11 C ATOM 0 H LEU A 64 4.877 -3.396 1.394 1.00 34.00 H new ATOM 0 HA LEU A 64 7.063 -1.539 2.083 1.00 74.44 H new ATOM 0 HB2 LEU A 64 6.256 -2.252 -0.589 1.00 23.24 H new ATOM 0 HB3 LEU A 64 5.784 -0.597 -0.257 1.00 23.24 H new ATOM 0 HG LEU A 64 8.560 -1.743 -0.106 1.00 74.40 H new ATOM 0 HD11 LEU A 64 8.899 -0.182 -2.058 1.00 61.01 H new ATOM 0 HD12 LEU A 64 7.634 -1.388 -2.394 1.00 61.01 H new ATOM 0 HD13 LEU A 64 7.183 0.278 -1.958 1.00 61.01 H new ATOM 0 HD21 LEU A 64 9.406 0.501 0.234 1.00 72.11 H new ATOM 0 HD22 LEU A 64 7.740 1.094 0.441 1.00 72.11 H new ATOM 0 HD23 LEU A 64 8.417 -0.079 1.596 1.00 72.11 H new ATOM 1025 N ALA A 65 5.193 -0.048 2.878 1.00 2.54 N ATOM 1026 CA ALA A 65 4.179 0.865 3.363 1.00 14.44 C ATOM 1027 C ALA A 65 4.040 1.990 2.345 1.00 34.23 C ATOM 1028 O ALA A 65 5.064 2.509 1.910 1.00 52.42 O ATOM 1029 CB ALA A 65 4.598 1.433 4.715 1.00 33.10 C ATOM 0 H ALA A 65 6.107 0.094 3.308 1.00 2.54 H new ATOM 0 HA ALA A 65 3.228 0.348 3.489 1.00 14.44 H new ATOM 0 HB1 ALA A 65 3.831 2.119 5.075 1.00 33.10 H new ATOM 0 HB2 ALA A 65 4.721 0.619 5.429 1.00 33.10 H new ATOM 0 HB3 ALA A 65 5.542 1.967 4.608 1.00 33.10 H new ATOM 1035 N VAL A 66 2.815 2.375 2.006 1.00 63.24 N ATOM 1036 CA VAL A 66 2.456 3.565 1.244 1.00 3.11 C ATOM 1037 C VAL A 66 1.856 4.499 2.315 1.00 74.44 C ATOM 1038 O VAL A 66 0.921 4.098 3.020 1.00 23.31 O ATOM 1039 CB VAL A 66 1.432 3.219 0.149 1.00 14.44 C ATOM 1040 CG1 VAL A 66 1.148 4.419 -0.767 1.00 43.40 C ATOM 1041 CG2 VAL A 66 1.914 2.035 -0.698 1.00 42.41 C ATOM 0 H VAL A 66 1.995 1.830 2.273 1.00 63.24 H new ATOM 0 HA VAL A 66 3.297 4.018 0.718 1.00 3.11 H new ATOM 0 HB VAL A 66 0.507 2.947 0.657 1.00 14.44 H new ATOM 0 HG11 VAL A 66 0.420 4.133 -1.526 1.00 43.40 H new ATOM 0 HG12 VAL A 66 0.750 5.243 -0.175 1.00 43.40 H new ATOM 0 HG13 VAL A 66 2.072 4.734 -1.251 1.00 43.40 H new ATOM 0 HG21 VAL A 66 1.172 1.810 -1.465 1.00 42.41 H new ATOM 0 HG22 VAL A 66 2.862 2.289 -1.173 1.00 42.41 H new ATOM 0 HG23 VAL A 66 2.051 1.163 -0.059 1.00 42.41 H new ATOM 1051 N ASP A 67 2.402 5.696 2.502 1.00 20.43 N ATOM 1052 CA ASP A 67 1.887 6.705 3.446 1.00 1.33 C ATOM 1053 C ASP A 67 0.643 7.375 2.865 1.00 62.15 C ATOM 1054 O ASP A 67 0.673 7.826 1.710 1.00 33.33 O ATOM 1055 CB ASP A 67 2.972 7.766 3.696 1.00 12.21 C ATOM 1056 CG ASP A 67 2.641 8.842 4.733 1.00 62.24 C ATOM 1057 OD1 ASP A 67 1.488 8.910 5.190 1.00 72.13 O ATOM 1058 OD2 ASP A 67 3.552 9.656 5.024 1.00 62.45 O ATOM 0 H ASP A 67 3.231 6.007 1.996 1.00 20.43 H new ATOM 0 HA ASP A 67 1.624 6.219 4.385 1.00 1.33 H new ATOM 0 HB2 ASP A 67 3.883 7.257 4.010 1.00 12.21 H new ATOM 0 HB3 ASP A 67 3.193 8.259 2.749 1.00 12.21 H new ATOM 1063 N LEU A 68 -0.444 7.462 3.644 1.00 41.05 N ATOM 1064 CA LEU A 68 -1.655 8.136 3.197 1.00 12.10 C ATOM 1065 C LEU A 68 -1.437 9.637 3.016 1.00 72.01 C ATOM 1066 O LEU A 68 -2.222 10.267 2.310 1.00 45.01 O ATOM 1067 CB LEU A 68 -2.833 7.917 4.166 1.00 53.15 C ATOM 1068 CG LEU A 68 -3.974 7.089 3.580 1.00 54.33 C ATOM 1069 CD1 LEU A 68 -5.113 7.060 4.600 1.00 72.04 C ATOM 1070 CD2 LEU A 68 -4.576 7.568 2.249 1.00 64.50 C ATOM 0 H LEU A 68 -0.502 7.072 4.585 1.00 41.05 H new ATOM 0 HA LEU A 68 -1.902 7.691 2.233 1.00 12.10 H new ATOM 0 HB2 LEU A 68 -2.464 7.423 5.065 1.00 53.15 H new ATOM 0 HB3 LEU A 68 -3.223 8.888 4.473 1.00 53.15 H new ATOM 0 HG LEU A 68 -3.523 6.120 3.365 1.00 54.33 H new ATOM 0 HD11 LEU A 68 -5.942 6.473 4.204 1.00 72.04 H new ATOM 0 HD12 LEU A 68 -4.760 6.609 5.527 1.00 72.04 H new ATOM 0 HD13 LEU A 68 -5.451 8.077 4.797 1.00 72.04 H new ATOM 0 HD21 LEU A 68 -5.375 6.891 1.947 1.00 64.50 H new ATOM 0 HD22 LEU A 68 -4.979 8.573 2.373 1.00 64.50 H new ATOM 0 HD23 LEU A 68 -3.801 7.580 1.483 1.00 64.50 H new ATOM 1082 N LYS A 69 -0.403 10.234 3.617 1.00 34.12 N ATOM 1083 CA LYS A 69 -0.099 11.655 3.443 1.00 31.13 C ATOM 1084 C LYS A 69 0.112 11.985 1.974 1.00 44.41 C ATOM 1085 O LYS A 69 -0.275 13.084 1.562 1.00 35.31 O ATOM 1086 CB LYS A 69 1.132 12.062 4.273 1.00 52.41 C ATOM 1087 CG LYS A 69 1.210 13.571 4.538 1.00 71.50 C ATOM 1088 CD LYS A 69 1.978 14.315 3.445 1.00 44.32 C ATOM 1089 CE LYS A 69 1.480 15.722 3.180 1.00 63.13 C ATOM 1090 NZ LYS A 69 0.055 15.812 2.822 1.00 72.23 N ATOM 0 H LYS A 69 0.244 9.746 4.236 1.00 34.12 H new ATOM 0 HA LYS A 69 -0.954 12.228 3.803 1.00 31.13 H new ATOM 0 HB2 LYS A 69 1.111 11.533 5.226 1.00 52.41 H new ATOM 0 HB3 LYS A 69 2.035 11.744 3.752 1.00 52.41 H new ATOM 0 HG2 LYS A 69 0.201 13.977 4.610 1.00 71.50 H new ATOM 0 HG3 LYS A 69 1.693 13.744 5.500 1.00 71.50 H new ATOM 0 HD2 LYS A 69 3.031 14.361 3.724 1.00 44.32 H new ATOM 0 HD3 LYS A 69 1.918 13.741 2.520 1.00 44.32 H new ATOM 0 HE2 LYS A 69 1.657 16.329 4.068 1.00 63.13 H new ATOM 0 HE3 LYS A 69 2.071 16.157 2.374 1.00 63.13 H new ATOM 0 HZ1 LYS A 69 -0.079 16.564 2.117 1.00 72.23 H new ATOM 0 HZ2 LYS A 69 -0.261 14.904 2.425 1.00 72.23 H new ATOM 0 HZ3 LYS A 69 -0.503 16.031 3.672 1.00 72.23 H new ATOM 1104 N LEU A 70 0.691 11.065 1.181 1.00 74.51 N ATOM 1105 CA LEU A 70 0.845 11.268 -0.259 1.00 32.30 C ATOM 1106 C LEU A 70 -0.518 11.610 -0.848 1.00 61.21 C ATOM 1107 O LEU A 70 -0.622 12.541 -1.631 1.00 11.52 O ATOM 1108 CB LEU A 70 1.456 10.050 -0.976 1.00 64.41 C ATOM 1109 CG LEU A 70 1.473 10.146 -2.529 1.00 12.54 C ATOM 1110 CD1 LEU A 70 0.113 10.022 -3.196 1.00 44.22 C ATOM 1111 CD2 LEU A 70 2.301 11.327 -3.027 1.00 74.32 C ATOM 0 H LEU A 70 1.058 10.176 1.520 1.00 74.51 H new ATOM 0 HA LEU A 70 1.546 12.088 -0.413 1.00 32.30 H new ATOM 0 HB2 LEU A 70 2.478 9.914 -0.623 1.00 64.41 H new ATOM 0 HB3 LEU A 70 0.898 9.159 -0.687 1.00 64.41 H new ATOM 0 HG LEU A 70 1.991 9.246 -2.861 1.00 12.54 H new ATOM 0 HD11 LEU A 70 0.229 10.101 -4.277 1.00 44.22 H new ATOM 0 HD12 LEU A 70 -0.327 9.056 -2.948 1.00 44.22 H new ATOM 0 HD13 LEU A 70 -0.540 10.820 -2.842 1.00 44.22 H new ATOM 0 HD21 LEU A 70 2.282 11.351 -4.117 1.00 74.32 H new ATOM 0 HD22 LEU A 70 1.883 12.255 -2.636 1.00 74.32 H new ATOM 0 HD23 LEU A 70 3.330 11.220 -2.684 1.00 74.32 H new ATOM 1123 N LYS A 71 -1.570 10.865 -0.497 1.00 52.40 N ATOM 1124 CA LYS A 71 -2.894 10.971 -1.118 1.00 74.33 C ATOM 1125 C LYS A 71 -3.491 12.378 -0.971 1.00 23.21 C ATOM 1126 O LYS A 71 -4.354 12.776 -1.747 1.00 22.32 O ATOM 1127 CB LYS A 71 -3.770 9.894 -0.462 1.00 13.30 C ATOM 1128 CG LYS A 71 -5.213 9.788 -0.964 1.00 10.44 C ATOM 1129 CD LYS A 71 -5.373 8.813 -2.131 1.00 43.03 C ATOM 1130 CE LYS A 71 -6.489 7.808 -1.852 1.00 75.54 C ATOM 1131 NZ LYS A 71 -6.180 6.951 -0.685 1.00 11.21 N ATOM 0 H LYS A 71 -1.525 10.160 0.239 1.00 52.40 H new ATOM 0 HA LYS A 71 -2.830 10.809 -2.194 1.00 74.33 H new ATOM 0 HB2 LYS A 71 -3.287 8.927 -0.605 1.00 13.30 H new ATOM 0 HB3 LYS A 71 -3.795 10.082 0.611 1.00 13.30 H new ATOM 0 HG2 LYS A 71 -5.855 9.470 -0.142 1.00 10.44 H new ATOM 0 HG3 LYS A 71 -5.557 10.775 -1.273 1.00 10.44 H new ATOM 0 HD2 LYS A 71 -5.595 9.365 -3.044 1.00 43.03 H new ATOM 0 HD3 LYS A 71 -4.435 8.284 -2.299 1.00 43.03 H new ATOM 0 HE2 LYS A 71 -7.422 8.342 -1.673 1.00 75.54 H new ATOM 0 HE3 LYS A 71 -6.643 7.183 -2.731 1.00 75.54 H new ATOM 0 HZ1 LYS A 71 -7.066 6.656 -0.227 1.00 11.21 H new ATOM 0 HZ2 LYS A 71 -5.657 6.110 -1.001 1.00 11.21 H new ATOM 0 HZ3 LYS A 71 -5.600 7.485 -0.006 1.00 11.21 H new ATOM 1145 N ASP A 72 -3.026 13.145 0.006 1.00 11.22 N ATOM 1146 CA ASP A 72 -3.454 14.521 0.211 1.00 12.51 C ATOM 1147 C ASP A 72 -2.799 15.456 -0.818 1.00 41.22 C ATOM 1148 O ASP A 72 -3.391 16.467 -1.186 1.00 72.42 O ATOM 1149 CB ASP A 72 -3.042 14.907 1.629 1.00 74.25 C ATOM 1150 CG ASP A 72 -3.835 16.066 2.226 1.00 62.54 C ATOM 1151 OD1 ASP A 72 -3.703 17.222 1.790 1.00 42.32 O ATOM 1152 OD2 ASP A 72 -4.478 15.834 3.275 1.00 51.03 O ATOM 0 H ASP A 72 -2.335 12.826 0.685 1.00 11.22 H new ATOM 0 HA ASP A 72 -4.532 14.613 0.082 1.00 12.51 H new ATOM 0 HB2 ASP A 72 -3.153 14.036 2.276 1.00 74.25 H new ATOM 0 HB3 ASP A 72 -1.984 15.170 1.627 1.00 74.25 H new ATOM 1157 N THR A 73 -1.606 15.100 -1.314 1.00 43.42 N ATOM 1158 CA THR A 73 -0.722 15.942 -2.115 1.00 14.05 C ATOM 1159 C THR A 73 -0.623 15.470 -3.589 1.00 5.25 C ATOM 1160 O THR A 73 -0.760 16.309 -4.481 1.00 4.11 O ATOM 1161 CB THR A 73 0.628 16.127 -1.362 1.00 45.20 C ATOM 1162 OG1 THR A 73 1.455 17.049 -2.033 1.00 22.35 O ATOM 1163 CG2 THR A 73 1.469 14.866 -1.170 1.00 10.45 C ATOM 0 H THR A 73 -1.217 14.170 -1.157 1.00 43.42 H new ATOM 0 HA THR A 73 -1.148 16.940 -2.222 1.00 14.05 H new ATOM 0 HB THR A 73 0.309 16.469 -0.377 1.00 45.20 H new ATOM 0 HG1 THR A 73 2.297 17.151 -1.542 1.00 22.35 H new ATOM 0 HG21 THR A 73 2.384 15.117 -0.634 1.00 10.45 H new ATOM 0 HG22 THR A 73 0.901 14.134 -0.595 1.00 10.45 H new ATOM 0 HG23 THR A 73 1.722 14.446 -2.143 1.00 10.45 H new ATOM 1171 N ASN A 74 -0.421 14.174 -3.897 1.00 34.23 N ATOM 1172 CA ASN A 74 -0.303 13.672 -5.286 1.00 64.33 C ATOM 1173 C ASN A 74 -0.988 12.312 -5.506 1.00 1.02 C ATOM 1174 O ASN A 74 -0.327 11.317 -5.818 1.00 41.22 O ATOM 1175 CB ASN A 74 1.173 13.533 -5.708 1.00 74.30 C ATOM 1176 CG ASN A 74 1.269 13.358 -7.227 1.00 61.42 C ATOM 1177 OD1 ASN A 74 0.702 14.128 -7.999 1.00 23.30 O ATOM 1178 ND2 ASN A 74 1.927 12.299 -7.673 1.00 60.12 N ATOM 0 H ASN A 74 -0.335 13.443 -3.191 1.00 34.23 H new ATOM 0 HA ASN A 74 -0.811 14.418 -5.897 1.00 64.33 H new ATOM 0 HB2 ASN A 74 1.733 14.416 -5.399 1.00 74.30 H new ATOM 0 HB3 ASN A 74 1.624 12.677 -5.206 1.00 74.30 H new ATOM 0 HD21 ASN A 74 1.970 12.110 -8.674 1.00 60.12 H new ATOM 0 HD22 ASN A 74 2.391 11.672 -7.015 1.00 60.12 H new ATOM 1185 N PRO A 75 -2.313 12.206 -5.366 1.00 22.02 N ATOM 1186 CA PRO A 75 -2.982 10.917 -5.162 1.00 11.35 C ATOM 1187 C PRO A 75 -2.949 9.965 -6.362 1.00 13.23 C ATOM 1188 O PRO A 75 -3.254 8.781 -6.216 1.00 53.32 O ATOM 1189 CB PRO A 75 -4.425 11.293 -4.820 1.00 74.34 C ATOM 1190 CG PRO A 75 -4.611 12.684 -5.429 1.00 70.25 C ATOM 1191 CD PRO A 75 -3.241 13.315 -5.259 1.00 12.00 C ATOM 0 HA PRO A 75 -2.464 10.357 -4.384 1.00 11.35 H new ATOM 0 HB2 PRO A 75 -5.132 10.578 -5.240 1.00 74.34 H new ATOM 0 HB3 PRO A 75 -4.587 11.306 -3.742 1.00 74.34 H new ATOM 0 HG2 PRO A 75 -4.904 12.630 -6.478 1.00 70.25 H new ATOM 0 HG3 PRO A 75 -5.384 13.252 -4.911 1.00 70.25 H new ATOM 0 HD2 PRO A 75 -3.052 14.066 -6.026 1.00 12.00 H new ATOM 0 HD3 PRO A 75 -3.152 13.815 -4.295 1.00 12.00 H new ATOM 1199 N GLU A 76 -2.538 10.463 -7.517 1.00 42.03 N ATOM 1200 CA GLU A 76 -2.213 9.736 -8.733 1.00 35.23 C ATOM 1201 C GLU A 76 -1.204 8.619 -8.448 1.00 5.20 C ATOM 1202 O GLU A 76 -1.424 7.471 -8.830 1.00 30.12 O ATOM 1203 CB GLU A 76 -1.633 10.795 -9.675 1.00 1.03 C ATOM 1204 CG GLU A 76 -1.424 10.332 -11.113 1.00 10.20 C ATOM 1205 CD GLU A 76 -0.672 11.413 -11.896 1.00 13.30 C ATOM 1206 OE1 GLU A 76 -1.054 12.600 -11.794 1.00 2.32 O ATOM 1207 OE2 GLU A 76 0.304 11.128 -12.631 1.00 72.25 O ATOM 0 H GLU A 76 -2.413 11.468 -7.638 1.00 42.03 H new ATOM 0 HA GLU A 76 -3.082 9.242 -9.168 1.00 35.23 H new ATOM 0 HB2 GLU A 76 -2.298 11.659 -9.680 1.00 1.03 H new ATOM 0 HB3 GLU A 76 -0.677 11.131 -9.275 1.00 1.03 H new ATOM 0 HG2 GLU A 76 -0.860 9.399 -11.127 1.00 10.20 H new ATOM 0 HG3 GLU A 76 -2.386 10.130 -11.584 1.00 10.20 H new ATOM 1214 N GLY A 77 -0.131 8.933 -7.715 1.00 43.42 N ATOM 1215 CA GLY A 77 0.887 7.958 -7.347 1.00 11.11 C ATOM 1216 C GLY A 77 0.283 6.847 -6.493 1.00 31.50 C ATOM 1217 O GLY A 77 0.518 5.669 -6.730 1.00 25.33 O ATOM 0 H GLY A 77 0.051 9.873 -7.362 1.00 43.42 H new ATOM 0 HA2 GLY A 77 1.332 7.532 -8.246 1.00 11.11 H new ATOM 0 HA3 GLY A 77 1.689 8.451 -6.798 1.00 11.11 H new ATOM 1221 N PHE A 78 -0.548 7.213 -5.517 1.00 21.33 N ATOM 1222 CA PHE A 78 -1.267 6.276 -4.656 1.00 14.04 C ATOM 1223 C PHE A 78 -2.165 5.352 -5.488 1.00 22.44 C ATOM 1224 O PHE A 78 -2.140 4.136 -5.308 1.00 40.44 O ATOM 1225 CB PHE A 78 -2.012 7.068 -3.589 1.00 22.34 C ATOM 1226 CG PHE A 78 -2.628 6.253 -2.476 1.00 1.14 C ATOM 1227 CD1 PHE A 78 -3.721 5.394 -2.709 1.00 11.52 C ATOM 1228 CD2 PHE A 78 -2.081 6.356 -1.185 1.00 21.24 C ATOM 1229 CE1 PHE A 78 -4.235 4.610 -1.664 1.00 42.42 C ATOM 1230 CE2 PHE A 78 -2.608 5.591 -0.141 1.00 71.42 C ATOM 1231 CZ PHE A 78 -3.672 4.713 -0.383 1.00 60.34 C ATOM 0 H PHE A 78 -0.744 8.190 -5.299 1.00 21.33 H new ATOM 0 HA PHE A 78 -0.573 5.611 -4.142 1.00 14.04 H new ATOM 0 HB2 PHE A 78 -1.321 7.787 -3.148 1.00 22.34 H new ATOM 0 HB3 PHE A 78 -2.802 7.641 -4.074 1.00 22.34 H new ATOM 0 HD1 PHE A 78 -4.164 5.339 -3.693 1.00 11.52 H new ATOM 0 HD2 PHE A 78 -1.254 7.026 -1.000 1.00 21.24 H new ATOM 0 HE1 PHE A 78 -5.057 3.933 -1.845 1.00 42.42 H new ATOM 0 HE2 PHE A 78 -2.195 5.677 0.853 1.00 71.42 H new ATOM 0 HZ PHE A 78 -4.062 4.110 0.423 1.00 60.34 H new ATOM 1241 N ASN A 79 -2.927 5.915 -6.426 1.00 72.10 N ATOM 1242 CA ASN A 79 -3.828 5.188 -7.323 1.00 43.20 C ATOM 1243 C ASN A 79 -3.062 4.149 -8.137 1.00 61.42 C ATOM 1244 O ASN A 79 -3.535 3.024 -8.323 1.00 42.35 O ATOM 1245 CB ASN A 79 -4.498 6.180 -8.288 1.00 63.34 C ATOM 1246 CG ASN A 79 -5.744 6.854 -7.765 1.00 42.14 C ATOM 1247 OD1 ASN A 79 -6.385 6.379 -6.835 1.00 13.01 O ATOM 1248 ND2 ASN A 79 -6.072 7.995 -8.328 1.00 14.45 N ATOM 0 H ASN A 79 -2.935 6.922 -6.588 1.00 72.10 H new ATOM 0 HA ASN A 79 -4.579 4.680 -6.718 1.00 43.20 H new ATOM 0 HB2 ASN A 79 -3.773 6.950 -8.552 1.00 63.34 H new ATOM 0 HB3 ASN A 79 -4.750 5.652 -9.207 1.00 63.34 H new ATOM 0 HD21 ASN A 79 -6.883 8.515 -7.992 1.00 14.45 H new ATOM 0 HD22 ASN A 79 -5.516 8.361 -9.101 1.00 14.45 H new ATOM 1255 N GLN A 80 -1.896 4.514 -8.669 1.00 10.42 N ATOM 1256 CA GLN A 80 -1.043 3.599 -9.415 1.00 62.14 C ATOM 1257 C GLN A 80 -0.458 2.537 -8.479 1.00 72.44 C ATOM 1258 O GLN A 80 -0.448 1.362 -8.841 1.00 52.13 O ATOM 1259 CB GLN A 80 0.027 4.404 -10.168 1.00 41.13 C ATOM 1260 CG GLN A 80 -0.625 5.169 -11.338 1.00 11.53 C ATOM 1261 CD GLN A 80 0.312 6.139 -12.046 1.00 44.14 C ATOM 1262 OE1 GLN A 80 1.532 6.032 -11.981 1.00 51.10 O ATOM 1263 NE2 GLN A 80 -0.231 7.100 -12.779 1.00 40.05 N ATOM 0 H GLN A 80 -1.518 5.458 -8.592 1.00 10.42 H new ATOM 0 HA GLN A 80 -1.624 3.058 -10.162 1.00 62.14 H new ATOM 0 HB2 GLN A 80 0.514 5.104 -9.489 1.00 41.13 H new ATOM 0 HB3 GLN A 80 0.801 3.735 -10.545 1.00 41.13 H new ATOM 0 HG2 GLN A 80 -1.001 4.449 -12.064 1.00 11.53 H new ATOM 0 HG3 GLN A 80 -1.486 5.722 -10.962 1.00 11.53 H new ATOM 0 HE21 GLN A 80 -1.246 7.189 -12.833 1.00 40.05 H new ATOM 0 HE22 GLN A 80 0.366 7.751 -13.289 1.00 40.05 H new ATOM 1272 N LEU A 81 -0.087 2.913 -7.251 1.00 53.24 N ATOM 1273 CA LEU A 81 0.411 1.998 -6.230 1.00 60.44 C ATOM 1274 C LEU A 81 -0.576 0.856 -5.971 1.00 61.44 C ATOM 1275 O LEU A 81 -0.185 -0.307 -5.860 1.00 61.22 O ATOM 1276 CB LEU A 81 0.716 2.759 -4.915 1.00 75.33 C ATOM 1277 CG LEU A 81 2.087 2.358 -4.350 1.00 55.13 C ATOM 1278 CD1 LEU A 81 2.059 0.882 -3.965 1.00 63.10 C ATOM 1279 CD2 LEU A 81 3.208 2.926 -5.208 1.00 35.21 C ATOM 0 H LEU A 81 -0.127 3.883 -6.937 1.00 53.24 H new ATOM 0 HA LEU A 81 1.337 1.561 -6.603 1.00 60.44 H new ATOM 0 HB2 LEU A 81 0.695 3.833 -5.099 1.00 75.33 H new ATOM 0 HB3 LEU A 81 -0.060 2.547 -4.180 1.00 75.33 H new ATOM 0 HG LEU A 81 2.332 2.826 -3.396 1.00 55.13 H new ATOM 0 HD11 LEU A 81 3.030 0.592 -3.563 1.00 63.10 H new ATOM 0 HD12 LEU A 81 1.290 0.717 -3.210 1.00 63.10 H new ATOM 0 HD13 LEU A 81 1.837 0.280 -4.846 1.00 63.10 H new ATOM 0 HD21 LEU A 81 4.171 2.631 -4.791 1.00 35.21 H new ATOM 0 HD22 LEU A 81 3.119 2.541 -6.224 1.00 35.21 H new ATOM 0 HD23 LEU A 81 3.138 4.014 -5.225 1.00 35.21 H new ATOM 1291 N MET A 82 -1.866 1.175 -5.862 1.00 51.40 N ATOM 1292 CA MET A 82 -2.883 0.159 -5.617 1.00 22.23 C ATOM 1293 C MET A 82 -3.006 -0.788 -6.817 1.00 55.40 C ATOM 1294 O MET A 82 -3.216 -1.990 -6.649 1.00 32.13 O ATOM 1295 CB MET A 82 -4.228 0.820 -5.270 1.00 4.24 C ATOM 1296 CG MET A 82 -4.131 1.666 -3.988 1.00 13.21 C ATOM 1297 SD MET A 82 -3.460 0.816 -2.535 1.00 22.44 S ATOM 1298 CE MET A 82 -4.947 -0.027 -1.951 1.00 32.52 C ATOM 0 H MET A 82 -2.228 2.126 -5.940 1.00 51.40 H new ATOM 0 HA MET A 82 -2.579 -0.442 -4.760 1.00 22.23 H new ATOM 0 HB2 MET A 82 -4.548 1.451 -6.099 1.00 4.24 H new ATOM 0 HB3 MET A 82 -4.990 0.051 -5.142 1.00 4.24 H new ATOM 0 HG2 MET A 82 -3.510 2.537 -4.196 1.00 13.21 H new ATOM 0 HG3 MET A 82 -5.127 2.036 -3.742 1.00 13.21 H new ATOM 0 HE1 MET A 82 -4.777 -0.408 -0.944 1.00 32.52 H new ATOM 0 HE2 MET A 82 -5.781 0.674 -1.938 1.00 32.52 H new ATOM 0 HE3 MET A 82 -5.181 -0.856 -2.618 1.00 32.52 H new ATOM 1308 N HIS A 83 -2.839 -0.273 -8.037 1.00 42.03 N ATOM 1309 CA HIS A 83 -2.893 -1.083 -9.244 1.00 61.45 C ATOM 1310 C HIS A 83 -1.701 -2.028 -9.340 1.00 52.24 C ATOM 1311 O HIS A 83 -1.881 -3.178 -9.732 1.00 13.22 O ATOM 1312 CB HIS A 83 -2.961 -0.177 -10.474 1.00 14.12 C ATOM 1313 CG HIS A 83 -3.308 -0.900 -11.754 1.00 11.22 C ATOM 1314 ND1 HIS A 83 -2.798 -0.628 -13.004 1.00 14.02 N ATOM 1315 CD2 HIS A 83 -4.176 -1.950 -11.887 1.00 73.14 C ATOM 1316 CE1 HIS A 83 -3.339 -1.506 -13.866 1.00 74.41 C ATOM 1317 NE2 HIS A 83 -4.216 -2.308 -13.239 1.00 34.53 N ATOM 0 H HIS A 83 -2.663 0.717 -8.210 1.00 42.03 H new ATOM 0 HA HIS A 83 -3.792 -1.697 -9.200 1.00 61.45 H new ATOM 0 HB2 HIS A 83 -3.702 0.603 -10.297 1.00 14.12 H new ATOM 0 HB3 HIS A 83 -1.999 0.320 -10.599 1.00 14.12 H new ATOM 0 HD2 HIS A 83 -4.732 -2.419 -11.089 1.00 73.14 H new ATOM 0 HE1 HIS A 83 -3.101 -1.560 -14.918 1.00 74.41 H new ATOM 0 HE2 HIS A 83 -4.795 -3.033 -13.664 1.00 34.53 H new ATOM 1325 N PHE A 84 -0.516 -1.567 -8.935 1.00 52.23 N ATOM 1326 CA PHE A 84 0.701 -2.366 -8.901 1.00 52.33 C ATOM 1327 C PHE A 84 0.479 -3.656 -8.114 1.00 54.53 C ATOM 1328 O PHE A 84 0.850 -4.735 -8.585 1.00 23.15 O ATOM 1329 CB PHE A 84 1.830 -1.524 -8.307 1.00 30.32 C ATOM 1330 CG PHE A 84 3.155 -2.238 -8.236 1.00 1.53 C ATOM 1331 CD1 PHE A 84 3.875 -2.492 -9.414 1.00 22.11 C ATOM 1332 CD2 PHE A 84 3.673 -2.635 -6.992 1.00 64.44 C ATOM 1333 CE1 PHE A 84 5.136 -3.110 -9.346 1.00 21.41 C ATOM 1334 CE2 PHE A 84 4.947 -3.216 -6.925 1.00 21.11 C ATOM 1335 CZ PHE A 84 5.676 -3.460 -8.095 1.00 33.12 C ATOM 0 H PHE A 84 -0.377 -0.608 -8.616 1.00 52.23 H new ATOM 0 HA PHE A 84 0.980 -2.659 -9.913 1.00 52.33 H new ATOM 0 HB2 PHE A 84 1.948 -0.620 -8.904 1.00 30.32 H new ATOM 0 HB3 PHE A 84 1.545 -1.208 -7.303 1.00 30.32 H new ATOM 0 HD1 PHE A 84 3.461 -2.213 -10.372 1.00 22.11 H new ATOM 0 HD2 PHE A 84 3.093 -2.493 -6.092 1.00 64.44 H new ATOM 0 HE1 PHE A 84 5.688 -3.315 -10.251 1.00 21.41 H new ATOM 0 HE2 PHE A 84 5.368 -3.477 -5.965 1.00 21.11 H new ATOM 0 HZ PHE A 84 6.653 -3.917 -8.037 1.00 33.12 H new ATOM 1345 N ALA A 85 -0.159 -3.553 -6.943 1.00 41.40 N ATOM 1346 CA ALA A 85 -0.543 -4.713 -6.154 1.00 44.00 C ATOM 1347 C ALA A 85 -1.409 -5.684 -6.958 1.00 23.44 C ATOM 1348 O ALA A 85 -1.032 -6.851 -7.090 1.00 15.34 O ATOM 1349 CB ALA A 85 -1.258 -4.274 -4.879 1.00 42.24 C ATOM 0 H ALA A 85 -0.420 -2.661 -6.522 1.00 41.40 H new ATOM 0 HA ALA A 85 0.368 -5.245 -5.879 1.00 44.00 H new ATOM 0 HB1 ALA A 85 -1.539 -5.153 -4.299 1.00 42.24 H new ATOM 0 HB2 ALA A 85 -0.593 -3.646 -4.287 1.00 42.24 H new ATOM 0 HB3 ALA A 85 -2.153 -3.710 -5.140 1.00 42.24 H new ATOM 1355 N THR A 86 -2.552 -5.223 -7.477 1.00 22.22 N ATOM 1356 CA THR A 86 -3.465 -6.053 -8.254 1.00 41.22 C ATOM 1357 C THR A 86 -2.727 -6.736 -9.405 1.00 22.51 C ATOM 1358 O THR A 86 -2.832 -7.954 -9.538 1.00 41.51 O ATOM 1359 CB THR A 86 -4.670 -5.213 -8.717 1.00 64.42 C ATOM 1360 OG1 THR A 86 -5.401 -4.828 -7.569 1.00 53.01 O ATOM 1361 CG2 THR A 86 -5.637 -5.972 -9.632 1.00 61.52 C ATOM 0 H THR A 86 -2.867 -4.259 -7.367 1.00 22.22 H new ATOM 0 HA THR A 86 -3.857 -6.855 -7.629 1.00 41.22 H new ATOM 0 HB THR A 86 -4.270 -4.371 -9.282 1.00 64.42 H new ATOM 0 HG1 THR A 86 -6.174 -4.289 -7.839 1.00 53.01 H new ATOM 0 HG21 THR A 86 -6.459 -5.316 -9.917 1.00 61.52 H new ATOM 0 HG22 THR A 86 -5.109 -6.301 -10.527 1.00 61.52 H new ATOM 0 HG23 THR A 86 -6.032 -6.840 -9.104 1.00 61.52 H new ATOM 1369 N GLU A 87 -1.951 -5.989 -10.191 1.00 30.31 N ATOM 1370 CA GLU A 87 -1.320 -6.472 -11.410 1.00 5.30 C ATOM 1371 C GLU A 87 -0.332 -7.605 -11.114 1.00 44.30 C ATOM 1372 O GLU A 87 -0.225 -8.567 -11.882 1.00 34.21 O ATOM 1373 CB GLU A 87 -0.612 -5.273 -12.057 1.00 24.34 C ATOM 1374 CG GLU A 87 -1.572 -4.383 -12.858 1.00 34.53 C ATOM 1375 CD GLU A 87 -1.847 -4.952 -14.249 1.00 23.14 C ATOM 1376 OE1 GLU A 87 -0.871 -5.169 -15.007 1.00 31.51 O ATOM 1377 OE2 GLU A 87 -3.007 -5.176 -14.633 1.00 4.41 O ATOM 0 H GLU A 87 -1.742 -5.011 -9.990 1.00 30.31 H new ATOM 0 HA GLU A 87 -2.067 -6.887 -12.087 1.00 5.30 H new ATOM 0 HB2 GLU A 87 -0.132 -4.677 -11.281 1.00 24.34 H new ATOM 0 HB3 GLU A 87 0.178 -5.634 -12.716 1.00 24.34 H new ATOM 0 HG2 GLU A 87 -2.512 -4.281 -12.315 1.00 34.53 H new ATOM 0 HG3 GLU A 87 -1.148 -3.383 -12.952 1.00 34.53 H new ATOM 1384 N ASN A 88 0.360 -7.523 -9.973 1.00 32.02 N ATOM 1385 CA ASN A 88 1.330 -8.531 -9.555 1.00 12.43 C ATOM 1386 C ASN A 88 0.670 -9.631 -8.715 1.00 5.15 C ATOM 1387 O ASN A 88 1.361 -10.518 -8.208 1.00 62.23 O ATOM 1388 CB ASN A 88 2.524 -7.871 -8.850 1.00 32.33 C ATOM 1389 CG ASN A 88 3.376 -7.077 -9.826 1.00 25.44 C ATOM 1390 OD1 ASN A 88 4.340 -7.593 -10.387 1.00 51.33 O ATOM 1391 ND2 ASN A 88 3.051 -5.818 -10.051 1.00 5.44 N ATOM 0 H ASN A 88 0.260 -6.751 -9.313 1.00 32.02 H new ATOM 0 HA ASN A 88 1.721 -9.027 -10.443 1.00 12.43 H new ATOM 0 HB2 ASN A 88 2.163 -7.212 -8.060 1.00 32.33 H new ATOM 0 HB3 ASN A 88 3.135 -8.637 -8.372 1.00 32.33 H new ATOM 0 HD21 ASN A 88 3.603 -5.257 -10.699 1.00 5.44 H new ATOM 0 HD22 ASN A 88 2.248 -5.406 -9.577 1.00 5.44 H new ATOM 1398 N GLN A 89 -0.662 -9.613 -8.590 1.00 24.02 N ATOM 1399 CA GLN A 89 -1.484 -10.520 -7.794 1.00 42.24 C ATOM 1400 C GLN A 89 -1.113 -10.480 -6.309 1.00 71.32 C ATOM 1401 O GLN A 89 -1.236 -11.494 -5.618 1.00 22.43 O ATOM 1402 CB GLN A 89 -1.441 -11.960 -8.337 1.00 35.11 C ATOM 1403 CG GLN A 89 -1.534 -12.098 -9.857 1.00 3.45 C ATOM 1404 CD GLN A 89 -2.746 -11.397 -10.462 1.00 34.30 C ATOM 1405 OE1 GLN A 89 -3.869 -11.743 -10.109 1.00 71.14 O ATOM 1406 NE2 GLN A 89 -2.551 -10.455 -11.370 1.00 15.41 N ATOM 0 H GLN A 89 -1.228 -8.917 -9.076 1.00 24.02 H new ATOM 0 HA GLN A 89 -2.511 -10.165 -7.883 1.00 42.24 H new ATOM 0 HB2 GLN A 89 -0.514 -12.427 -8.004 1.00 35.11 H new ATOM 0 HB3 GLN A 89 -2.260 -12.523 -7.889 1.00 35.11 H new ATOM 0 HG2 GLN A 89 -0.628 -11.691 -10.306 1.00 3.45 H new ATOM 0 HG3 GLN A 89 -1.571 -13.156 -10.116 1.00 3.45 H new ATOM 0 HE21 GLN A 89 -1.602 -10.194 -11.638 1.00 15.41 H new ATOM 0 HE22 GLN A 89 -3.349 -9.990 -11.802 1.00 15.41 H new ATOM 1415 N LEU A 90 -0.615 -9.346 -5.820 1.00 44.01 N ATOM 1416 CA LEU A 90 -0.156 -9.167 -4.450 1.00 23.44 C ATOM 1417 C LEU A 90 -1.332 -8.821 -3.544 1.00 32.51 C ATOM 1418 O LEU A 90 -2.363 -8.314 -3.994 1.00 41.31 O ATOM 1419 CB LEU A 90 0.926 -8.073 -4.384 1.00 60.15 C ATOM 1420 CG LEU A 90 2.185 -8.428 -5.199 1.00 44.21 C ATOM 1421 CD1 LEU A 90 3.162 -7.252 -5.284 1.00 54.51 C ATOM 1422 CD2 LEU A 90 2.927 -9.630 -4.605 1.00 21.34 C ATOM 0 H LEU A 90 -0.518 -8.503 -6.386 1.00 44.01 H new ATOM 0 HA LEU A 90 0.285 -10.101 -4.102 1.00 23.44 H new ATOM 0 HB2 LEU A 90 0.511 -7.136 -4.755 1.00 60.15 H new ATOM 0 HB3 LEU A 90 1.207 -7.908 -3.344 1.00 60.15 H new ATOM 0 HG LEU A 90 1.830 -8.677 -6.199 1.00 44.21 H new ATOM 0 HD11 LEU A 90 4.035 -7.546 -5.867 1.00 54.51 H new ATOM 0 HD12 LEU A 90 2.672 -6.406 -5.766 1.00 54.51 H new ATOM 0 HD13 LEU A 90 3.476 -6.966 -4.280 1.00 54.51 H new ATOM 0 HD21 LEU A 90 3.808 -9.848 -5.208 1.00 21.34 H new ATOM 0 HD22 LEU A 90 3.234 -9.400 -3.585 1.00 21.34 H new ATOM 0 HD23 LEU A 90 2.268 -10.498 -4.599 1.00 21.34 H new ATOM 1434 N ASN A 91 -1.165 -9.111 -2.257 1.00 61.11 N ATOM 1435 CA ASN A 91 -2.145 -8.837 -1.211 1.00 51.33 C ATOM 1436 C ASN A 91 -1.979 -7.394 -0.712 1.00 53.23 C ATOM 1437 O ASN A 91 -0.882 -6.836 -0.809 1.00 65.44 O ATOM 1438 CB ASN A 91 -1.897 -9.850 -0.086 1.00 15.40 C ATOM 1439 CG ASN A 91 -3.051 -10.007 0.885 1.00 74.33 C ATOM 1440 OD1 ASN A 91 -4.142 -9.486 0.693 1.00 73.20 O ATOM 1441 ND2 ASN A 91 -2.836 -10.790 1.922 1.00 64.31 N ATOM 0 H ASN A 91 -0.319 -9.556 -1.903 1.00 61.11 H new ATOM 0 HA ASN A 91 -3.165 -8.936 -1.581 1.00 51.33 H new ATOM 0 HB2 ASN A 91 -1.678 -10.821 -0.530 1.00 15.40 H new ATOM 0 HB3 ASN A 91 -1.010 -9.547 0.470 1.00 15.40 H new ATOM 0 HD21 ASN A 91 -3.587 -10.974 2.587 1.00 64.31 H new ATOM 0 HD22 ASN A 91 -1.918 -11.213 2.060 1.00 64.31 H new ATOM 1448 N ILE A 92 -3.028 -6.788 -0.151 1.00 62.24 N ATOM 1449 CA ILE A 92 -3.048 -5.391 0.291 1.00 34.51 C ATOM 1450 C ILE A 92 -3.428 -5.424 1.769 1.00 14.01 C ATOM 1451 O ILE A 92 -4.595 -5.634 2.095 1.00 60.03 O ATOM 1452 CB ILE A 92 -4.026 -4.559 -0.586 1.00 32.55 C ATOM 1453 CG1 ILE A 92 -3.559 -4.550 -2.061 1.00 2.45 C ATOM 1454 CG2 ILE A 92 -4.243 -3.113 -0.096 1.00 10.24 C ATOM 1455 CD1 ILE A 92 -4.498 -3.784 -3.002 1.00 11.25 C ATOM 0 H ILE A 92 -3.912 -7.269 0.013 1.00 62.24 H new ATOM 0 HA ILE A 92 -2.082 -4.899 0.176 1.00 34.51 H new ATOM 0 HB ILE A 92 -4.991 -5.058 -0.499 1.00 32.55 H new ATOM 0 HG12 ILE A 92 -2.565 -4.107 -2.115 1.00 2.45 H new ATOM 0 HG13 ILE A 92 -3.469 -5.579 -2.410 1.00 2.45 H new ATOM 0 HG21 ILE A 92 -4.938 -2.603 -0.763 1.00 10.24 H new ATOM 0 HG22 ILE A 92 -4.654 -3.129 0.913 1.00 10.24 H new ATOM 0 HG23 ILE A 92 -3.290 -2.584 -0.091 1.00 10.24 H new ATOM 0 HD11 ILE A 92 -4.105 -3.822 -4.018 1.00 11.25 H new ATOM 0 HD12 ILE A 92 -5.488 -4.240 -2.979 1.00 11.25 H new ATOM 0 HD13 ILE A 92 -4.569 -2.745 -2.679 1.00 11.25 H new ATOM 1467 N LEU A 93 -2.449 -5.263 2.661 1.00 54.22 N ATOM 1468 CA LEU A 93 -2.693 -5.171 4.099 1.00 55.02 C ATOM 1469 C LEU A 93 -2.874 -3.705 4.489 1.00 32.34 C ATOM 1470 O LEU A 93 -2.510 -2.803 3.735 1.00 23.33 O ATOM 1471 CB LEU A 93 -1.524 -5.790 4.882 1.00 22.52 C ATOM 1472 CG LEU A 93 -1.618 -7.307 5.120 1.00 50.31 C ATOM 1473 CD1 LEU A 93 -1.975 -8.136 3.886 1.00 53.43 C ATOM 1474 CD2 LEU A 93 -0.262 -7.780 5.652 1.00 73.10 C ATOM 0 H LEU A 93 -1.464 -5.193 2.405 1.00 54.22 H new ATOM 0 HA LEU A 93 -3.599 -5.724 4.345 1.00 55.02 H new ATOM 0 HB2 LEU A 93 -0.598 -5.580 4.346 1.00 22.52 H new ATOM 0 HB3 LEU A 93 -1.452 -5.292 5.849 1.00 22.52 H new ATOM 0 HG LEU A 93 -2.435 -7.462 5.824 1.00 50.31 H new ATOM 0 HD11 LEU A 93 -2.017 -9.191 4.156 1.00 53.43 H new ATOM 0 HD12 LEU A 93 -2.946 -7.820 3.504 1.00 53.43 H new ATOM 0 HD13 LEU A 93 -1.217 -7.988 3.117 1.00 53.43 H new ATOM 0 HD21 LEU A 93 -0.296 -8.855 5.831 1.00 73.10 H new ATOM 0 HD22 LEU A 93 0.514 -7.559 4.919 1.00 73.10 H new ATOM 0 HD23 LEU A 93 -0.037 -7.263 6.585 1.00 73.10 H new ATOM 1486 N ASP A 94 -3.402 -3.463 5.683 1.00 51.53 N ATOM 1487 CA ASP A 94 -3.439 -2.145 6.308 1.00 73.30 C ATOM 1488 C ASP A 94 -2.253 -1.979 7.266 1.00 35.42 C ATOM 1489 O ASP A 94 -1.350 -2.819 7.324 1.00 14.30 O ATOM 1490 CB ASP A 94 -4.766 -1.931 7.049 1.00 52.21 C ATOM 1491 CG ASP A 94 -4.744 -2.482 8.467 1.00 71.04 C ATOM 1492 OD1 ASP A 94 -4.356 -3.659 8.620 1.00 31.42 O ATOM 1493 OD2 ASP A 94 -4.917 -1.674 9.404 1.00 35.21 O ATOM 0 H ASP A 94 -3.825 -4.193 6.256 1.00 51.53 H new ATOM 0 HA ASP A 94 -3.363 -1.390 5.526 1.00 73.30 H new ATOM 0 HB2 ASP A 94 -4.991 -0.865 7.082 1.00 52.21 H new ATOM 0 HB3 ASP A 94 -5.570 -2.410 6.490 1.00 52.21 H new ATOM 1498 N ALA A 95 -2.278 -0.891 8.038 1.00 44.34 N ATOM 1499 CA ALA A 95 -1.342 -0.614 9.115 1.00 34.42 C ATOM 1500 C ALA A 95 -1.267 -1.762 10.131 1.00 1.44 C ATOM 1501 O ALA A 95 -0.164 -2.063 10.594 1.00 4.32 O ATOM 1502 CB ALA A 95 -1.730 0.690 9.822 1.00 23.14 C ATOM 0 H ALA A 95 -2.977 -0.157 7.922 1.00 44.34 H new ATOM 0 HA ALA A 95 -0.353 -0.511 8.669 1.00 34.42 H new ATOM 0 HB1 ALA A 95 -1.024 0.891 10.628 1.00 23.14 H new ATOM 0 HB2 ALA A 95 -1.708 1.512 9.107 1.00 23.14 H new ATOM 0 HB3 ALA A 95 -2.734 0.595 10.235 1.00 23.14 H new ATOM 1508 N GLU A 96 -2.386 -2.389 10.504 1.00 63.24 N ATOM 1509 CA GLU A 96 -2.409 -3.522 11.421 1.00 65.21 C ATOM 1510 C GLU A 96 -1.768 -4.753 10.798 1.00 32.42 C ATOM 1511 O GLU A 96 -1.155 -5.544 11.519 1.00 23.12 O ATOM 1512 CB GLU A 96 -3.834 -3.905 11.832 1.00 54.23 C ATOM 1513 CG GLU A 96 -4.626 -2.799 12.528 1.00 61.24 C ATOM 1514 CD GLU A 96 -5.528 -3.360 13.621 1.00 43.33 C ATOM 1515 OE1 GLU A 96 -6.133 -4.447 13.470 1.00 22.15 O ATOM 1516 OE2 GLU A 96 -5.546 -2.752 14.716 1.00 31.42 O ATOM 0 H GLU A 96 -3.311 -2.117 10.171 1.00 63.24 H new ATOM 0 HA GLU A 96 -1.847 -3.201 12.298 1.00 65.21 H new ATOM 0 HB2 GLU A 96 -4.381 -4.218 10.942 1.00 54.23 H new ATOM 0 HB3 GLU A 96 -3.785 -4.768 12.496 1.00 54.23 H new ATOM 0 HG2 GLU A 96 -3.937 -2.074 12.960 1.00 61.24 H new ATOM 0 HG3 GLU A 96 -5.230 -2.266 11.794 1.00 61.24 H new ATOM 1523 N GLY A 97 -1.915 -4.936 9.486 1.00 15.43 N ATOM 1524 CA GLY A 97 -1.576 -6.164 8.794 1.00 24.12 C ATOM 1525 C GLY A 97 -2.812 -7.002 8.475 1.00 74.12 C ATOM 1526 O GLY A 97 -2.705 -8.228 8.434 1.00 45.44 O ATOM 0 H GLY A 97 -2.282 -4.213 8.867 1.00 15.43 H new ATOM 0 HA2 GLY A 97 -1.051 -5.926 7.869 1.00 24.12 H new ATOM 0 HA3 GLY A 97 -0.891 -6.748 9.408 1.00 24.12 H new ATOM 1530 N ASN A 98 -3.972 -6.376 8.272 1.00 62.12 N ATOM 1531 CA ASN A 98 -5.233 -7.034 7.920 1.00 44.23 C ATOM 1532 C ASN A 98 -5.492 -6.813 6.426 1.00 52.01 C ATOM 1533 O ASN A 98 -5.338 -5.688 5.955 1.00 42.31 O ATOM 1534 CB ASN A 98 -6.389 -6.445 8.749 1.00 43.23 C ATOM 1535 CG ASN A 98 -6.128 -6.386 10.254 1.00 71.44 C ATOM 1536 OD1 ASN A 98 -5.293 -7.112 10.796 1.00 52.41 O ATOM 1537 ND2 ASN A 98 -6.826 -5.537 10.986 1.00 51.22 N ATOM 0 H ASN A 98 -4.064 -5.363 8.350 1.00 62.12 H new ATOM 0 HA ASN A 98 -5.168 -8.101 8.135 1.00 44.23 H new ATOM 0 HB2 ASN A 98 -6.599 -5.437 8.390 1.00 43.23 H new ATOM 0 HB3 ASN A 98 -7.285 -7.040 8.572 1.00 43.23 H new ATOM 0 HD21 ASN A 98 -6.672 -5.485 11.993 1.00 51.22 H new ATOM 0 HD22 ASN A 98 -7.519 -4.933 10.544 1.00 51.22 H new ATOM 1544 N SER A 99 -5.854 -7.849 5.663 1.00 61.34 N ATOM 1545 CA SER A 99 -6.021 -7.758 4.211 1.00 63.34 C ATOM 1546 C SER A 99 -7.312 -7.020 3.831 1.00 30.51 C ATOM 1547 O SER A 99 -8.409 -7.588 3.887 1.00 62.30 O ATOM 1548 CB SER A 99 -5.873 -9.125 3.516 1.00 14.53 C ATOM 1549 OG SER A 99 -6.504 -10.214 4.173 1.00 25.10 O ATOM 0 H SER A 99 -6.040 -8.779 6.038 1.00 61.34 H new ATOM 0 HA SER A 99 -5.201 -7.149 3.830 1.00 63.34 H new ATOM 0 HB2 SER A 99 -6.279 -9.047 2.507 1.00 14.53 H new ATOM 0 HB3 SER A 99 -4.811 -9.349 3.416 1.00 14.53 H new ATOM 0 HG SER A 99 -6.358 -11.035 3.659 1.00 25.10 H new ATOM 1555 N ILE A 100 -7.186 -5.760 3.418 1.00 11.23 N ATOM 1556 CA ILE A 100 -8.280 -4.864 3.050 1.00 53.20 C ATOM 1557 C ILE A 100 -8.449 -4.791 1.525 1.00 73.11 C ATOM 1558 O ILE A 100 -7.605 -5.270 0.764 1.00 32.02 O ATOM 1559 CB ILE A 100 -8.049 -3.470 3.679 1.00 25.25 C ATOM 1560 CG1 ILE A 100 -6.661 -2.885 3.328 1.00 14.02 C ATOM 1561 CG2 ILE A 100 -8.262 -3.553 5.201 1.00 31.12 C ATOM 1562 CD1 ILE A 100 -6.545 -1.398 3.671 1.00 11.20 C ATOM 0 H ILE A 100 -6.273 -5.315 3.327 1.00 11.23 H new ATOM 0 HA ILE A 100 -9.214 -5.262 3.446 1.00 53.20 H new ATOM 0 HB ILE A 100 -8.778 -2.780 3.254 1.00 25.25 H new ATOM 0 HG12 ILE A 100 -5.891 -3.439 3.865 1.00 14.02 H new ATOM 0 HG13 ILE A 100 -6.471 -3.025 2.264 1.00 14.02 H new ATOM 0 HG21 ILE A 100 -8.099 -2.571 5.645 1.00 31.12 H new ATOM 0 HG22 ILE A 100 -9.281 -3.881 5.408 1.00 31.12 H new ATOM 0 HG23 ILE A 100 -7.557 -4.266 5.629 1.00 31.12 H new ATOM 0 HD11 ILE A 100 -5.551 -1.039 3.404 1.00 11.20 H new ATOM 0 HD12 ILE A 100 -7.295 -0.837 3.114 1.00 11.20 H new ATOM 0 HD13 ILE A 100 -6.706 -1.257 4.740 1.00 11.20 H new ATOM 1574 N ASP A 101 -9.555 -4.192 1.079 1.00 3.52 N ATOM 1575 CA ASP A 101 -9.717 -3.700 -0.287 1.00 63.45 C ATOM 1576 C ASP A 101 -9.060 -2.340 -0.430 1.00 65.35 C ATOM 1577 O ASP A 101 -8.881 -1.626 0.553 1.00 23.40 O ATOM 1578 CB ASP A 101 -11.197 -3.518 -0.641 1.00 52.51 C ATOM 1579 CG ASP A 101 -11.813 -4.759 -1.257 1.00 34.44 C ATOM 1580 OD1 ASP A 101 -11.296 -5.215 -2.313 1.00 61.21 O ATOM 1581 OD2 ASP A 101 -12.803 -5.264 -0.710 1.00 41.34 O ATOM 0 H ASP A 101 -10.374 -4.034 1.666 1.00 3.52 H new ATOM 0 HA ASP A 101 -9.260 -4.436 -0.948 1.00 63.45 H new ATOM 0 HB2 ASP A 101 -11.751 -3.252 0.259 1.00 52.51 H new ATOM 0 HB3 ASP A 101 -11.299 -2.684 -1.336 1.00 52.51 H new ATOM 1586 N ALA A 102 -8.816 -1.939 -1.677 1.00 13.44 N ATOM 1587 CA ALA A 102 -8.417 -0.578 -2.008 1.00 32.12 C ATOM 1588 C ALA A 102 -9.607 0.373 -1.965 1.00 51.43 C ATOM 1589 O ALA A 102 -9.418 1.547 -1.668 1.00 3.21 O ATOM 1590 CB ALA A 102 -7.850 -0.551 -3.421 1.00 32.31 C ATOM 0 H ALA A 102 -8.891 -2.554 -2.487 1.00 13.44 H new ATOM 0 HA ALA A 102 -7.674 -0.260 -1.276 1.00 32.12 H new ATOM 0 HB1 ALA A 102 -7.550 0.466 -3.673 1.00 32.31 H new ATOM 0 HB2 ALA A 102 -6.983 -1.210 -3.478 1.00 32.31 H new ATOM 0 HB3 ALA A 102 -8.610 -0.890 -4.125 1.00 32.31 H new ATOM 1596 N ALA A 103 -10.821 -0.124 -2.238 1.00 32.11 N ATOM 1597 CA ALA A 103 -12.062 0.642 -2.145 1.00 52.05 C ATOM 1598 C ALA A 103 -12.172 1.307 -0.773 1.00 60.11 C ATOM 1599 O ALA A 103 -12.490 2.486 -0.665 1.00 43.12 O ATOM 1600 CB ALA A 103 -13.250 -0.297 -2.367 1.00 40.42 C ATOM 0 H ALA A 103 -10.966 -1.089 -2.535 1.00 32.11 H new ATOM 0 HA ALA A 103 -12.063 1.420 -2.908 1.00 52.05 H new ATOM 0 HB1 ALA A 103 -14.179 0.269 -2.299 1.00 40.42 H new ATOM 0 HB2 ALA A 103 -13.174 -0.752 -3.354 1.00 40.42 H new ATOM 0 HB3 ALA A 103 -13.244 -1.077 -1.606 1.00 40.42 H new ATOM 1606 N GLN A 104 -11.788 0.570 0.271 1.00 32.54 N ATOM 1607 CA GLN A 104 -11.763 1.020 1.655 1.00 44.11 C ATOM 1608 C GLN A 104 -10.654 2.049 1.934 1.00 64.05 C ATOM 1609 O GLN A 104 -10.458 2.401 3.100 1.00 12.13 O ATOM 1610 CB GLN A 104 -11.590 -0.204 2.568 1.00 21.42 C ATOM 1611 CG GLN A 104 -12.710 -1.246 2.417 1.00 33.23 C ATOM 1612 CD GLN A 104 -13.469 -1.444 3.721 1.00 70.24 C ATOM 1613 OE1 GLN A 104 -14.245 -0.598 4.154 1.00 74.33 O ATOM 1614 NE2 GLN A 104 -13.237 -2.566 4.370 1.00 4.35 N ATOM 0 H GLN A 104 -11.474 -0.395 0.166 1.00 32.54 H new ATOM 0 HA GLN A 104 -12.707 1.525 1.858 1.00 44.11 H new ATOM 0 HB2 GLN A 104 -10.633 -0.677 2.350 1.00 21.42 H new ATOM 0 HB3 GLN A 104 -11.552 0.129 3.605 1.00 21.42 H new ATOM 0 HG2 GLN A 104 -13.402 -0.927 1.637 1.00 33.23 H new ATOM 0 HG3 GLN A 104 -12.283 -2.196 2.096 1.00 33.23 H new ATOM 0 HE21 GLN A 104 -12.587 -3.252 3.986 1.00 4.35 H new ATOM 0 HE22 GLN A 104 -13.708 -2.749 5.256 1.00 4.35 H new ATOM 1623 N VAL A 105 -9.903 2.500 0.922 1.00 12.33 N ATOM 1624 CA VAL A 105 -8.804 3.445 1.073 1.00 73.22 C ATOM 1625 C VAL A 105 -8.847 4.591 0.064 1.00 2.30 C ATOM 1626 O VAL A 105 -8.449 5.715 0.390 1.00 24.55 O ATOM 1627 CB VAL A 105 -7.448 2.730 1.003 1.00 33.03 C ATOM 1628 CG1 VAL A 105 -6.425 3.694 1.608 1.00 45.24 C ATOM 1629 CG2 VAL A 105 -7.428 1.373 1.715 1.00 71.33 C ATOM 0 H VAL A 105 -10.051 2.208 -0.044 1.00 12.33 H new ATOM 0 HA VAL A 105 -8.928 3.889 2.061 1.00 73.22 H new ATOM 0 HB VAL A 105 -7.216 2.489 -0.034 1.00 33.03 H new ATOM 0 HG11 VAL A 105 -5.436 3.236 1.585 1.00 45.24 H new ATOM 0 HG12 VAL A 105 -6.411 4.619 1.031 1.00 45.24 H new ATOM 0 HG13 VAL A 105 -6.699 3.915 2.640 1.00 45.24 H new ATOM 0 HG21 VAL A 105 -6.437 0.928 1.623 1.00 71.33 H new ATOM 0 HG22 VAL A 105 -7.667 1.512 2.769 1.00 71.33 H new ATOM 0 HG23 VAL A 105 -8.166 0.712 1.260 1.00 71.33 H new ATOM 1639 N THR A 106 -9.217 4.345 -1.190 1.00 54.21 N ATOM 1640 CA THR A 106 -9.117 5.372 -2.218 1.00 20.23 C ATOM 1641 C THR A 106 -10.262 6.388 -2.168 1.00 14.32 C ATOM 1642 O THR A 106 -10.252 7.312 -2.970 1.00 75.14 O ATOM 1643 CB THR A 106 -8.914 4.745 -3.606 1.00 63.22 C ATOM 1644 OG1 THR A 106 -9.800 3.655 -3.811 1.00 24.55 O ATOM 1645 CG2 THR A 106 -7.458 4.298 -3.824 1.00 33.33 C ATOM 0 H THR A 106 -9.585 3.451 -1.515 1.00 54.21 H new ATOM 0 HA THR A 106 -8.224 5.959 -2.003 1.00 20.23 H new ATOM 0 HB THR A 106 -9.140 5.518 -4.340 1.00 63.22 H new ATOM 0 HG1 THR A 106 -9.651 3.275 -4.702 1.00 24.55 H new ATOM 0 HG21 THR A 106 -7.357 3.860 -4.817 1.00 33.33 H new ATOM 0 HG22 THR A 106 -6.796 5.160 -3.738 1.00 33.33 H new ATOM 0 HG23 THR A 106 -7.188 3.557 -3.071 1.00 33.33 H new