USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HE2:sc= -0.012 K(o=-0.012,f=-0.64) USER MOD Single : A 11 HIS : no HE2:sc= -0.43 K(o=-0.43,f=-1.4!) USER MOD Single : A 21 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.61) USER MOD Single : A 24 ASN : amide:sc= -2.31! K(o=-2.3!,f=-0.15) USER MOD Single : A 26 HIS : no HD1:sc= 0 K(o=0,f=-2) USER MOD Single : A 29 TYR OH : rot -46:sc= 0.657 USER MOD Single : A 33 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.2) USER MOD Single : A 34 ASN : amide:sc= -3.18! C(o=-3.2!,f=-8.5!) USER MOD Single : A 37 SER OG : rot -160:sc= 0 USER MOD Single : A 40 TYR OH : rot -157:sc= 0.17 USER MOD Single : A 42 HIS : no HE2:sc= 0.143 K(o=0.31,f=-1.9) USER MOD Single : A 45 MET CE :methyl -104:sc= -0.394 (180deg=-3.19!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 24:sc= 0.0851 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00568 USER MOD Single : A 67 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0566) USER MOD Single : A 79 HIS : no HD1:sc= -0.0646 X(o=-0.065,f=-0.025) USER MOD Single : A 95 TYR OH : rot 93:sc= 1.23 USER MOD Single : A 98 MET CE :methyl -175:sc= 0 (180deg=-0.00995) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.835 9.564 -2.684 1.00 0.00 N ATOM 63 CA PHE A 5 -3.634 9.172 -1.925 1.00 0.00 C ATOM 64 C PHE A 5 -3.360 10.204 -0.820 1.00 0.00 C ATOM 65 O PHE A 5 -3.523 11.412 -1.026 1.00 0.00 O ATOM 66 CB PHE A 5 -2.403 9.026 -2.856 1.00 0.00 C ATOM 67 CG PHE A 5 -1.110 8.629 -2.124 1.00 0.00 C ATOM 68 CD1 PHE A 5 -0.991 7.380 -1.513 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.022 9.496 -2.052 1.00 0.00 C ATOM 70 CE1 PHE A 5 0.164 7.022 -0.849 1.00 0.00 C ATOM 71 CE2 PHE A 5 1.131 9.137 -1.388 1.00 0.00 C ATOM 72 CZ PHE A 5 1.228 7.899 -0.793 1.00 0.00 C ATOM 0 HA PHE A 5 -3.816 8.199 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.622 8.277 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.239 9.970 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -1.815 6.684 -1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.083 10.465 -2.524 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.236 6.055 -0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.960 9.828 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.136 7.614 -0.283 1.00 0.00 H new ATOM 82 N GLU A 6 -2.934 9.700 0.338 1.00 0.00 N ATOM 83 CA GLU A 6 -2.616 10.493 1.530 1.00 0.00 C ATOM 84 C GLU A 6 -1.581 9.703 2.369 1.00 0.00 C ATOM 85 O GLU A 6 -1.478 8.474 2.207 1.00 0.00 O ATOM 86 CB GLU A 6 -3.925 10.769 2.330 1.00 0.00 C ATOM 87 CG GLU A 6 -4.615 9.499 2.861 1.00 0.00 C ATOM 88 CD GLU A 6 -6.015 9.740 3.438 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.121 10.204 4.593 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.019 9.455 2.740 1.00 0.00 O ATOM 0 H GLU A 6 -2.796 8.699 0.479 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.187 11.459 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.693 11.423 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.623 11.308 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.688 8.773 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.988 9.054 3.633 1.00 0.00 H new ATOM 97 N PRO A 7 -0.769 10.372 3.251 1.00 0.00 N ATOM 98 CA PRO A 7 0.197 9.663 4.117 1.00 0.00 C ATOM 99 C PRO A 7 -0.545 8.816 5.179 1.00 0.00 C ATOM 100 O PRO A 7 -0.895 9.300 6.260 1.00 0.00 O ATOM 101 CB PRO A 7 1.049 10.802 4.734 1.00 0.00 C ATOM 102 CG PRO A 7 0.154 12.005 4.696 1.00 0.00 C ATOM 103 CD PRO A 7 -0.712 11.847 3.461 1.00 0.00 C ATOM 0 HA PRO A 7 0.822 8.948 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.350 10.564 5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.962 10.969 4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.458 12.064 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.738 12.924 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.706 12.268 3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.278 12.357 2.601 1.00 0.00 H new ATOM 111 N GLY A 8 -0.835 7.559 4.813 1.00 0.00 N ATOM 112 CA GLY A 8 -1.540 6.620 5.685 1.00 0.00 C ATOM 113 C GLY A 8 -2.615 5.799 4.972 1.00 0.00 C ATOM 114 O GLY A 8 -3.082 4.798 5.530 1.00 0.00 O ATOM 0 H GLY A 8 -0.586 7.169 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.815 5.940 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.002 7.175 6.501 1.00 0.00 H new ATOM 118 N HIS A 9 -3.014 6.206 3.743 1.00 0.00 N ATOM 119 CA HIS A 9 -4.162 5.590 3.036 1.00 0.00 C ATOM 120 C HIS A 9 -4.178 5.954 1.526 1.00 0.00 C ATOM 121 O HIS A 9 -3.640 6.983 1.125 1.00 0.00 O ATOM 122 CB HIS A 9 -5.482 6.023 3.739 1.00 0.00 C ATOM 123 CG HIS A 9 -6.749 5.562 3.078 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.529 6.390 2.309 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.363 4.355 3.069 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.559 5.720 1.857 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.490 4.480 2.299 1.00 0.00 N ATOM 0 H HIS A 9 -2.559 6.956 3.222 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.064 4.506 3.087 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.469 5.646 4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.500 7.111 3.800 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.336 7.373 2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.027 3.461 3.574 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.339 6.119 1.225 1.00 0.00 H new ATOM 136 N LEU A 10 -4.775 5.070 0.699 1.00 0.00 N ATOM 137 CA LEU A 10 -4.983 5.281 -0.750 1.00 0.00 C ATOM 138 C LEU A 10 -6.356 4.660 -1.121 1.00 0.00 C ATOM 139 O LEU A 10 -6.652 3.540 -0.710 1.00 0.00 O ATOM 140 CB LEU A 10 -3.809 4.616 -1.557 1.00 0.00 C ATOM 141 CG LEU A 10 -3.545 5.111 -3.034 1.00 0.00 C ATOM 142 CD1 LEU A 10 -2.209 4.541 -3.575 1.00 0.00 C ATOM 143 CD2 LEU A 10 -4.698 4.770 -4.005 1.00 0.00 C ATOM 0 H LEU A 10 -5.133 4.172 1.026 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.986 6.342 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.890 4.760 -0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.996 3.543 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.483 6.198 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.048 4.895 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.388 4.875 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.250 3.452 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.455 5.137 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.837 3.689 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.617 5.243 -3.659 1.00 0.00 H new ATOM 155 N HIS A 11 -7.197 5.392 -1.874 1.00 0.00 N ATOM 156 CA HIS A 11 -8.503 4.885 -2.363 1.00 0.00 C ATOM 157 C HIS A 11 -8.477 4.783 -3.900 1.00 0.00 C ATOM 158 O HIS A 11 -8.025 5.711 -4.578 1.00 0.00 O ATOM 159 CB HIS A 11 -9.663 5.817 -1.898 1.00 0.00 C ATOM 160 CG HIS A 11 -11.069 5.260 -2.088 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.205 6.012 -1.886 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.519 4.006 -2.380 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.272 5.252 -2.040 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.885 4.030 -2.340 1.00 0.00 N ATOM 0 H HIS A 11 -6.996 6.349 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.677 3.894 -1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.521 6.045 -0.842 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.588 6.759 -2.440 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -12.219 7.005 -1.653 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.905 3.146 -2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.296 5.579 -1.937 1.00 0.00 H new ATOM 173 N LEU A 12 -8.963 3.646 -4.429 1.00 0.00 N ATOM 174 CA LEU A 12 -9.099 3.399 -5.878 1.00 0.00 C ATOM 175 C LEU A 12 -10.593 3.366 -6.218 1.00 0.00 C ATOM 176 O LEU A 12 -11.348 2.667 -5.534 1.00 0.00 O ATOM 177 CB LEU A 12 -8.441 2.038 -6.254 1.00 0.00 C ATOM 178 CG LEU A 12 -6.898 1.930 -6.024 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.395 0.487 -6.270 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.128 2.943 -6.910 1.00 0.00 C ATOM 0 H LEU A 12 -9.277 2.862 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.600 4.188 -6.440 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.929 1.251 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.645 1.838 -7.306 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.702 2.179 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.319 0.443 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.897 -0.195 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.614 0.195 -7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.058 2.845 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.338 2.741 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.446 3.956 -6.665 1.00 0.00 H new ATOM 192 N VAL A 13 -11.030 4.142 -7.235 1.00 0.00 N ATOM 193 CA VAL A 13 -12.442 4.147 -7.701 1.00 0.00 C ATOM 194 C VAL A 13 -12.499 4.108 -9.247 1.00 0.00 C ATOM 195 O VAL A 13 -12.422 5.144 -9.920 1.00 0.00 O ATOM 196 CB VAL A 13 -13.233 5.422 -7.187 1.00 0.00 C ATOM 197 CG1 VAL A 13 -14.712 5.435 -7.673 1.00 0.00 C ATOM 198 CG2 VAL A 13 -13.162 5.575 -5.649 1.00 0.00 C ATOM 0 H VAL A 13 -10.424 4.778 -7.754 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.917 3.258 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.732 6.283 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.211 6.327 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.737 5.439 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.225 4.548 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.718 6.462 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.596 4.695 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.121 5.676 -5.341 1.00 0.00 H new ATOM 307 N GLN A 21 -17.369 -3.051 -14.371 1.00 0.00 N ATOM 308 CA GLN A 21 -17.412 -3.692 -13.054 1.00 0.00 C ATOM 309 C GLN A 21 -17.040 -2.618 -12.026 1.00 0.00 C ATOM 310 O GLN A 21 -16.139 -1.800 -12.273 1.00 0.00 O ATOM 311 CB GLN A 21 -16.411 -4.868 -13.018 1.00 0.00 C ATOM 312 CG GLN A 21 -16.276 -5.605 -11.667 1.00 0.00 C ATOM 313 CD GLN A 21 -15.333 -6.815 -11.737 1.00 0.00 C ATOM 314 OE1 GLN A 21 -15.206 -7.468 -12.772 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.670 -7.123 -10.643 1.00 0.00 N ATOM 0 HA GLN A 21 -18.400 -4.097 -12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.706 -5.593 -13.776 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.429 -4.491 -13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.909 -4.908 -10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.261 -5.937 -11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.793 -6.565 -9.798 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.033 -7.919 -10.640 1.00 0.00 H new ATOM 324 N ASP A 22 -17.724 -2.621 -10.885 1.00 0.00 N ATOM 325 CA ASP A 22 -17.526 -1.598 -9.849 1.00 0.00 C ATOM 326 C ASP A 22 -16.419 -2.053 -8.902 1.00 0.00 C ATOM 327 O ASP A 22 -16.576 -3.050 -8.186 1.00 0.00 O ATOM 328 CB ASP A 22 -18.833 -1.345 -9.064 1.00 0.00 C ATOM 329 CG ASP A 22 -18.704 -0.217 -8.011 1.00 0.00 C ATOM 330 OD1 ASP A 22 -18.287 -0.478 -6.862 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.012 0.941 -8.325 1.00 0.00 O ATOM 0 H ASP A 22 -18.425 -3.323 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.238 -0.661 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.627 -1.089 -9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.134 -2.266 -8.565 1.00 0.00 H new ATOM 336 N ILE A 23 -15.286 -1.345 -8.931 1.00 0.00 N ATOM 337 CA ILE A 23 -14.206 -1.543 -7.961 1.00 0.00 C ATOM 338 C ILE A 23 -14.138 -0.301 -7.063 1.00 0.00 C ATOM 339 O ILE A 23 -14.297 0.839 -7.533 1.00 0.00 O ATOM 340 CB ILE A 23 -12.796 -1.869 -8.645 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.032 -0.595 -9.168 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.993 -2.889 -9.800 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.085 0.091 -8.177 1.00 0.00 C ATOM 0 H ILE A 23 -15.093 -0.622 -9.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.430 -2.425 -7.361 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.167 -2.298 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.456 -0.880 -10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.772 0.136 -9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.030 -3.107 -10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.422 -3.809 -9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.666 -2.468 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.620 0.953 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.648 0.420 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.312 -0.612 -7.866 1.00 0.00 H new ATOM 355 N ASN A 24 -13.941 -0.549 -5.780 1.00 0.00 N ATOM 356 CA ASN A 24 -13.535 0.475 -4.810 1.00 0.00 C ATOM 357 C ASN A 24 -12.756 -0.222 -3.700 1.00 0.00 C ATOM 358 O ASN A 24 -13.211 -1.237 -3.145 1.00 0.00 O ATOM 359 CB ASN A 24 -14.720 1.354 -4.286 1.00 0.00 C ATOM 360 CG ASN A 24 -15.833 0.626 -3.520 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.405 1.184 -2.587 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.210 -0.567 -3.937 1.00 0.00 N ATOM 0 H ASN A 24 -14.058 -1.475 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.893 1.204 -5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.309 2.126 -3.636 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.170 1.862 -5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.990 -1.043 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.722 -1.014 -4.713 1.00 0.00 H new ATOM 369 N ILE A 25 -11.547 0.301 -3.420 1.00 0.00 N ATOM 370 CA ILE A 25 -10.507 -0.408 -2.658 1.00 0.00 C ATOM 371 C ILE A 25 -9.849 0.563 -1.672 1.00 0.00 C ATOM 372 O ILE A 25 -9.419 1.656 -2.065 1.00 0.00 O ATOM 373 CB ILE A 25 -9.390 -0.991 -3.621 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.011 -1.912 -4.728 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.298 -1.759 -2.820 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.057 -2.334 -5.829 1.00 0.00 C ATOM 0 H ILE A 25 -11.265 1.234 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.979 -1.234 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.916 -0.143 -4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.409 -2.808 -4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.854 -1.390 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.547 -2.146 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.824 -1.082 -2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.757 -2.587 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.583 -2.968 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.677 -1.449 -6.340 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.225 -2.889 -5.396 1.00 0.00 H new ATOM 388 N HIS A 26 -9.774 0.160 -0.398 1.00 0.00 N ATOM 389 CA HIS A 26 -9.025 0.886 0.634 1.00 0.00 C ATOM 390 C HIS A 26 -7.626 0.262 0.701 1.00 0.00 C ATOM 391 O HIS A 26 -7.507 -0.966 0.758 1.00 0.00 O ATOM 392 CB HIS A 26 -9.699 0.771 2.043 1.00 0.00 C ATOM 393 CG HIS A 26 -11.206 0.804 2.058 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.964 0.000 2.877 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.089 1.553 1.373 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.237 0.254 2.693 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.344 1.195 1.787 1.00 0.00 N ATOM 0 H HIS A 26 -10.233 -0.683 -0.053 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.994 1.944 0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.371 -0.160 2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.331 1.585 2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.851 2.301 0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.058 -0.230 3.201 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.218 1.595 1.446 1.00 0.00 H new ATOM 406 N ILE A 27 -6.582 1.094 0.686 1.00 0.00 N ATOM 407 CA ILE A 27 -5.206 0.651 0.930 1.00 0.00 C ATOM 408 C ILE A 27 -4.721 1.433 2.151 1.00 0.00 C ATOM 409 O ILE A 27 -4.434 2.620 2.064 1.00 0.00 O ATOM 410 CB ILE A 27 -4.251 0.912 -0.311 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.808 0.217 -1.607 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.799 0.444 -0.008 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.967 0.410 -2.870 1.00 0.00 C ATOM 0 H ILE A 27 -6.666 2.094 0.504 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.184 -0.426 1.095 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.225 1.987 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.902 -0.852 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.812 0.596 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.167 0.635 -0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.412 0.992 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.799 -0.623 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.439 -0.109 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.893 1.473 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.969 0.003 -2.708 1.00 0.00 H new ATOM 425 N ARG A 28 -4.677 0.756 3.283 1.00 0.00 N ATOM 426 CA ARG A 28 -4.210 1.317 4.558 1.00 0.00 C ATOM 427 C ARG A 28 -2.714 1.025 4.679 1.00 0.00 C ATOM 428 O ARG A 28 -2.274 -0.055 4.281 1.00 0.00 O ATOM 429 CB ARG A 28 -4.976 0.663 5.748 1.00 0.00 C ATOM 430 CG ARG A 28 -6.523 0.621 5.599 1.00 0.00 C ATOM 431 CD ARG A 28 -7.208 -0.076 6.794 1.00 0.00 C ATOM 432 NE ARG A 28 -8.653 -0.279 6.585 1.00 0.00 N ATOM 433 CZ ARG A 28 -9.573 -0.416 7.559 1.00 0.00 C ATOM 434 NH1 ARG A 28 -9.252 -0.240 8.831 1.00 0.00 N ATOM 435 NH2 ARG A 28 -10.820 -0.712 7.249 1.00 0.00 N ATOM 0 H ARG A 28 -4.968 -0.219 3.354 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.393 2.391 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.612 -0.356 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.730 1.207 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.905 1.638 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.783 0.098 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.732 -1.041 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.056 0.521 7.693 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.984 -0.319 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.295 0.003 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.962 -0.348 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.087 -0.837 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.518 -0.816 7.986 1.00 0.00 H new ATOM 449 N TYR A 29 -1.934 1.984 5.188 1.00 0.00 N ATOM 450 CA TYR A 29 -0.521 1.748 5.500 1.00 0.00 C ATOM 451 C TYR A 29 -0.055 2.631 6.667 1.00 0.00 C ATOM 452 O TYR A 29 -0.410 3.812 6.756 1.00 0.00 O ATOM 453 CB TYR A 29 0.376 1.910 4.239 1.00 0.00 C ATOM 454 CG TYR A 29 0.612 3.334 3.704 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.277 3.934 2.807 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.746 4.068 4.078 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.046 5.206 2.317 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.975 5.336 3.591 1.00 0.00 C ATOM 459 CZ TYR A 29 1.084 5.900 2.712 1.00 0.00 C ATOM 460 OH TYR A 29 1.307 7.173 2.242 1.00 0.00 O ATOM 0 H TYR A 29 -2.257 2.930 5.392 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.418 0.713 5.825 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.348 1.470 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.065 1.319 3.436 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.158 3.395 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.456 3.630 4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.745 5.656 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.853 5.885 3.900 1.00 0.00 H new ATOM 0 HH TYR A 29 1.158 7.195 1.274 1.00 0.00 H new ATOM 470 N GLU A 30 0.728 2.027 7.572 1.00 0.00 N ATOM 471 CA GLU A 30 1.295 2.706 8.750 1.00 0.00 C ATOM 472 C GLU A 30 2.773 2.339 8.881 1.00 0.00 C ATOM 473 O GLU A 30 3.128 1.152 8.831 1.00 0.00 O ATOM 474 CB GLU A 30 0.544 2.299 10.048 1.00 0.00 C ATOM 475 CG GLU A 30 -0.928 2.741 10.101 1.00 0.00 C ATOM 476 CD GLU A 30 -1.626 2.313 11.396 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.572 3.068 12.391 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.210 1.207 11.431 1.00 0.00 O ATOM 0 H GLU A 30 0.989 1.043 7.508 1.00 0.00 H new ATOM 0 HA GLU A 30 1.185 3.782 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.588 1.215 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.068 2.724 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.981 3.825 10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.461 2.319 9.249 1.00 0.00 H new ATOM 485 N VAL A 31 3.624 3.357 9.054 1.00 0.00 N ATOM 486 CA VAL A 31 5.057 3.164 9.268 1.00 0.00 C ATOM 487 C VAL A 31 5.296 2.809 10.745 1.00 0.00 C ATOM 488 O VAL A 31 5.008 3.607 11.643 1.00 0.00 O ATOM 489 CB VAL A 31 5.874 4.447 8.867 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.400 4.230 9.036 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.523 4.876 7.422 1.00 0.00 C ATOM 0 H VAL A 31 3.336 4.335 9.049 1.00 0.00 H new ATOM 0 HA VAL A 31 5.404 2.349 8.633 1.00 0.00 H new ATOM 0 HB VAL A 31 5.591 5.253 9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.931 5.138 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.621 3.994 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.723 3.405 8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.095 5.765 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.768 4.068 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.458 5.098 7.357 1.00 0.00 H new ATOM 501 N ARG A 32 5.820 1.609 10.968 1.00 0.00 N ATOM 502 CA ARG A 32 6.093 1.049 12.301 1.00 0.00 C ATOM 503 C ARG A 32 7.514 0.459 12.291 1.00 0.00 C ATOM 504 O ARG A 32 8.110 0.320 11.220 1.00 0.00 O ATOM 505 CB ARG A 32 5.037 -0.044 12.617 1.00 0.00 C ATOM 506 CG ARG A 32 5.100 -0.639 14.050 1.00 0.00 C ATOM 507 CD ARG A 32 4.450 -2.022 14.128 1.00 0.00 C ATOM 508 NE ARG A 32 4.516 -2.615 15.471 1.00 0.00 N ATOM 509 CZ ARG A 32 4.439 -3.933 15.739 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.343 -4.831 14.762 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.474 -4.345 16.989 1.00 0.00 N ATOM 0 H ARG A 32 6.076 0.976 10.211 1.00 0.00 H new ATOM 0 HA ARG A 32 6.030 1.817 13.071 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.044 0.378 12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.154 -0.856 11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.140 -0.709 14.367 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.600 0.036 14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.407 -1.944 13.823 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.941 -2.688 13.419 1.00 0.00 H new ATOM 0 HE ARG A 32 4.629 -1.980 16.261 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.327 -4.526 13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.286 -5.824 14.986 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.559 -3.668 17.747 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.416 -5.341 17.199 1.00 0.00 H new ATOM 525 N GLN A 33 8.080 0.141 13.465 1.00 0.00 N ATOM 526 CA GLN A 33 9.427 -0.454 13.558 1.00 0.00 C ATOM 527 C GLN A 33 9.351 -1.957 13.922 1.00 0.00 C ATOM 528 O GLN A 33 8.678 -2.339 14.880 1.00 0.00 O ATOM 529 CB GLN A 33 10.292 0.315 14.597 1.00 0.00 C ATOM 530 CG GLN A 33 10.340 1.853 14.426 1.00 0.00 C ATOM 531 CD GLN A 33 10.905 2.316 13.084 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.111 2.486 12.930 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.036 2.559 12.118 1.00 0.00 N ATOM 0 H GLN A 33 7.626 0.285 14.367 1.00 0.00 H new ATOM 0 HA GLN A 33 9.900 -0.369 12.580 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.913 0.091 15.594 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.311 -0.069 14.549 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.332 2.252 14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.944 2.278 15.228 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.040 2.407 12.278 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.361 2.898 11.213 1.00 0.00 H new ATOM 542 N ASN A 34 10.026 -2.795 13.112 1.00 0.00 N ATOM 543 CA ASN A 34 10.254 -4.229 13.383 1.00 0.00 C ATOM 544 C ASN A 34 11.708 -4.414 13.870 1.00 0.00 C ATOM 545 O ASN A 34 12.608 -3.697 13.422 1.00 0.00 O ATOM 546 CB ASN A 34 9.984 -5.072 12.098 1.00 0.00 C ATOM 547 CG ASN A 34 11.012 -4.867 10.974 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.859 -5.708 10.736 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.979 -3.726 10.315 1.00 0.00 N ATOM 0 H ASN A 34 10.438 -2.488 12.231 1.00 0.00 H new ATOM 0 HA ASN A 34 9.568 -4.576 14.156 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.966 -6.128 12.368 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.993 -4.823 11.717 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.671 -3.535 9.591 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.261 -3.034 10.529 1.00 0.00 H new ATOM 556 N ALA A 35 11.938 -5.379 14.771 1.00 0.00 N ATOM 557 CA ALA A 35 13.276 -5.636 15.363 1.00 0.00 C ATOM 558 C ALA A 35 14.271 -6.267 14.351 1.00 0.00 C ATOM 559 O ALA A 35 15.481 -6.311 14.610 1.00 0.00 O ATOM 560 CB ALA A 35 13.125 -6.524 16.606 1.00 0.00 C ATOM 0 H ALA A 35 11.211 -6.006 15.115 1.00 0.00 H new ATOM 0 HA ALA A 35 13.701 -4.674 15.648 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.107 -6.712 17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.495 -6.020 17.339 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.666 -7.471 16.323 1.00 0.00 H new ATOM 566 N GLU A 36 13.747 -6.744 13.202 1.00 0.00 N ATOM 567 CA GLU A 36 14.542 -7.451 12.180 1.00 0.00 C ATOM 568 C GLU A 36 15.383 -6.478 11.326 1.00 0.00 C ATOM 569 O GLU A 36 16.610 -6.614 11.237 1.00 0.00 O ATOM 570 CB GLU A 36 13.590 -8.293 11.281 1.00 0.00 C ATOM 571 CG GLU A 36 14.249 -9.033 10.100 1.00 0.00 C ATOM 572 CD GLU A 36 15.262 -10.109 10.538 1.00 0.00 C ATOM 573 OE1 GLU A 36 14.859 -11.274 10.729 1.00 0.00 O ATOM 574 OE2 GLU A 36 16.464 -9.798 10.688 1.00 0.00 O ATOM 0 H GLU A 36 12.761 -6.649 12.958 1.00 0.00 H new ATOM 0 HA GLU A 36 15.245 -8.111 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.087 -9.029 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.819 -7.632 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.472 -9.501 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.754 -8.307 9.463 1.00 0.00 H new ATOM 581 N SER A 37 14.714 -5.486 10.737 1.00 0.00 N ATOM 582 CA SER A 37 15.305 -4.571 9.735 1.00 0.00 C ATOM 583 C SER A 37 15.392 -3.135 10.276 1.00 0.00 C ATOM 584 O SER A 37 16.230 -2.349 9.833 1.00 0.00 O ATOM 585 CB SER A 37 14.437 -4.608 8.452 1.00 0.00 C ATOM 586 OG SER A 37 14.925 -3.735 7.448 1.00 0.00 O ATOM 0 H SER A 37 13.734 -5.285 10.938 1.00 0.00 H new ATOM 0 HA SER A 37 16.320 -4.899 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.410 -5.626 8.063 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.412 -4.335 8.701 1.00 0.00 H new ATOM 0 HG SER A 37 14.210 -3.543 6.806 1.00 0.00 H new ATOM 592 N GLY A 38 14.549 -2.821 11.266 1.00 0.00 N ATOM 593 CA GLY A 38 14.352 -1.449 11.732 1.00 0.00 C ATOM 594 C GLY A 38 12.991 -0.930 11.302 1.00 0.00 C ATOM 595 O GLY A 38 11.984 -1.461 11.734 1.00 0.00 O ATOM 0 H GLY A 38 13.987 -3.511 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.435 -1.412 12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.136 -0.807 11.331 1.00 0.00 H new ATOM 599 N ALA A 39 12.964 0.108 10.460 1.00 0.00 N ATOM 600 CA ALA A 39 11.706 0.630 9.880 1.00 0.00 C ATOM 601 C ALA A 39 11.020 -0.414 8.966 1.00 0.00 C ATOM 602 O ALA A 39 11.685 -1.282 8.389 1.00 0.00 O ATOM 603 CB ALA A 39 11.962 1.944 9.121 1.00 0.00 C ATOM 0 H ALA A 39 13.799 0.610 10.159 1.00 0.00 H new ATOM 0 HA ALA A 39 11.023 0.836 10.704 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.025 2.311 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.369 2.687 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.674 1.766 8.315 1.00 0.00 H new ATOM 609 N TYR A 40 9.685 -0.348 8.906 1.00 0.00 N ATOM 610 CA TYR A 40 8.864 -1.066 7.902 1.00 0.00 C ATOM 611 C TYR A 40 7.500 -0.385 7.785 1.00 0.00 C ATOM 612 O TYR A 40 7.197 0.542 8.544 1.00 0.00 O ATOM 613 CB TYR A 40 8.704 -2.590 8.233 1.00 0.00 C ATOM 614 CG TYR A 40 7.591 -3.007 9.217 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.704 -2.769 10.585 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.445 -3.691 8.775 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.726 -3.180 11.468 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.468 -4.089 9.656 1.00 0.00 C ATOM 619 CZ TYR A 40 5.614 -3.842 11.001 1.00 0.00 C ATOM 620 OH TYR A 40 4.644 -4.266 11.882 1.00 0.00 O ATOM 0 H TYR A 40 9.131 0.209 9.556 1.00 0.00 H new ATOM 0 HA TYR A 40 9.383 -1.016 6.945 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.535 -3.119 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.653 -2.946 8.633 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.574 -2.253 10.962 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.330 -3.908 7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.834 -2.982 12.524 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.586 -4.595 9.292 1.00 0.00 H new ATOM 0 HH TYR A 40 4.141 -5.007 11.483 1.00 0.00 H new ATOM 630 N VAL A 41 6.681 -0.834 6.823 1.00 0.00 N ATOM 631 CA VAL A 41 5.300 -0.357 6.678 1.00 0.00 C ATOM 632 C VAL A 41 4.346 -1.569 6.685 1.00 0.00 C ATOM 633 O VAL A 41 4.531 -2.522 5.912 1.00 0.00 O ATOM 634 CB VAL A 41 5.088 0.489 5.368 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.721 1.200 5.389 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.224 1.513 5.138 1.00 0.00 C ATOM 0 H VAL A 41 6.954 -1.531 6.130 1.00 0.00 H new ATOM 0 HA VAL A 41 5.084 0.303 7.518 1.00 0.00 H new ATOM 0 HB VAL A 41 5.109 -0.212 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.598 1.778 4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.926 0.458 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.671 1.868 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.031 2.071 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.268 2.203 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.175 0.988 5.049 1.00 0.00 H new ATOM 646 N HIS A 42 3.368 -1.542 7.605 1.00 0.00 N ATOM 647 CA HIS A 42 2.287 -2.534 7.676 1.00 0.00 C ATOM 648 C HIS A 42 1.140 -2.069 6.764 1.00 0.00 C ATOM 649 O HIS A 42 0.618 -0.968 6.954 1.00 0.00 O ATOM 650 CB HIS A 42 1.795 -2.671 9.149 1.00 0.00 C ATOM 651 CG HIS A 42 0.693 -3.696 9.376 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.858 -4.830 10.139 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.592 -3.739 8.946 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.266 -5.518 10.157 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.159 -4.877 9.442 1.00 0.00 N ATOM 0 H HIS A 42 3.307 -0.823 8.326 1.00 0.00 H new ATOM 0 HA HIS A 42 2.644 -3.509 7.344 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.647 -2.934 9.776 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.438 -1.698 9.487 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.719 -5.097 10.617 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.080 -3.004 8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.425 -6.453 10.674 1.00 0.00 H new ATOM 664 N PHE A 43 0.749 -2.906 5.792 1.00 0.00 N ATOM 665 CA PHE A 43 -0.344 -2.603 4.846 1.00 0.00 C ATOM 666 C PHE A 43 -1.582 -3.471 5.166 1.00 0.00 C ATOM 667 O PHE A 43 -1.443 -4.661 5.480 1.00 0.00 O ATOM 668 CB PHE A 43 0.124 -2.880 3.388 1.00 0.00 C ATOM 669 CG PHE A 43 1.459 -2.224 3.024 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.515 -0.893 2.626 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.656 -2.946 3.077 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.720 -0.303 2.292 1.00 0.00 C ATOM 673 CE2 PHE A 43 3.854 -2.356 2.746 1.00 0.00 C ATOM 674 CZ PHE A 43 3.889 -1.036 2.355 1.00 0.00 C ATOM 0 H PHE A 43 1.181 -3.817 5.636 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.611 -1.551 4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.210 -3.957 3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.642 -2.526 2.698 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.606 -0.313 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.639 -3.982 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.747 0.731 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.768 -2.929 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.831 -0.574 2.098 1.00 0.00 H new ATOM 684 N ASP A 44 -2.779 -2.863 5.098 1.00 0.00 N ATOM 685 CA ASP A 44 -4.079 -3.564 5.205 1.00 0.00 C ATOM 686 C ASP A 44 -4.965 -3.113 4.036 1.00 0.00 C ATOM 687 O ASP A 44 -5.259 -1.936 3.925 1.00 0.00 O ATOM 688 CB ASP A 44 -4.804 -3.231 6.546 1.00 0.00 C ATOM 689 CG ASP A 44 -4.026 -3.659 7.799 1.00 0.00 C ATOM 690 OD1 ASP A 44 -3.871 -4.879 8.031 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.570 -2.782 8.566 1.00 0.00 O ATOM 0 H ASP A 44 -2.876 -1.856 4.965 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.899 -4.639 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.985 -2.157 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.779 -3.719 6.551 1.00 0.00 H new ATOM 696 N MET A 45 -5.406 -4.034 3.183 1.00 0.00 N ATOM 697 CA MET A 45 -6.284 -3.713 2.036 1.00 0.00 C ATOM 698 C MET A 45 -7.641 -4.403 2.215 1.00 0.00 C ATOM 699 O MET A 45 -7.702 -5.609 2.470 1.00 0.00 O ATOM 700 CB MET A 45 -5.632 -4.160 0.699 1.00 0.00 C ATOM 701 CG MET A 45 -4.355 -3.395 0.314 1.00 0.00 C ATOM 702 SD MET A 45 -3.700 -3.881 -1.299 1.00 0.00 S ATOM 703 CE MET A 45 -5.080 -3.519 -2.386 1.00 0.00 C ATOM 0 H MET A 45 -5.172 -5.024 3.258 1.00 0.00 H new ATOM 0 HA MET A 45 -6.429 -2.633 2.001 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.396 -5.222 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.363 -4.044 -0.101 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.567 -2.326 0.307 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.593 -3.564 1.075 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.577 -4.448 -2.665 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.788 -2.869 -1.871 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.715 -3.019 -3.283 1.00 0.00 H new ATOM 713 N ASP A 46 -8.720 -3.627 2.052 1.00 0.00 N ATOM 714 CA ASP A 46 -10.101 -4.098 2.266 1.00 0.00 C ATOM 715 C ASP A 46 -11.066 -3.228 1.451 1.00 0.00 C ATOM 716 O ASP A 46 -10.702 -2.147 1.017 1.00 0.00 O ATOM 717 CB ASP A 46 -10.461 -4.065 3.788 1.00 0.00 C ATOM 718 CG ASP A 46 -10.534 -2.640 4.387 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.540 -1.893 4.305 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.597 -2.247 4.922 1.00 0.00 O ATOM 0 H ASP A 46 -8.663 -2.649 1.767 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.189 -5.131 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.421 -4.559 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.718 -4.642 4.339 1.00 0.00 H new ATOM 725 N GLY A 47 -12.279 -3.724 1.226 1.00 0.00 N ATOM 726 CA GLY A 47 -13.324 -2.983 0.499 1.00 0.00 C ATOM 727 C GLY A 47 -14.361 -3.939 -0.026 1.00 0.00 C ATOM 728 O GLY A 47 -14.550 -5.001 0.571 1.00 0.00 O ATOM 0 H GLY A 47 -12.573 -4.649 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.791 -2.254 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.880 -2.426 -0.326 1.00 0.00 H new ATOM 732 N GLU A 48 -15.022 -3.600 -1.148 1.00 0.00 N ATOM 733 CA GLU A 48 -15.973 -4.507 -1.798 1.00 0.00 C ATOM 734 C GLU A 48 -15.971 -4.286 -3.320 1.00 0.00 C ATOM 735 O GLU A 48 -16.374 -3.244 -3.830 1.00 0.00 O ATOM 736 CB GLU A 48 -17.411 -4.369 -1.220 1.00 0.00 C ATOM 737 CG GLU A 48 -18.042 -2.955 -1.264 1.00 0.00 C ATOM 738 CD GLU A 48 -17.406 -1.952 -0.284 1.00 0.00 C ATOM 739 OE1 GLU A 48 -17.760 -1.964 0.913 1.00 0.00 O ATOM 740 OE2 GLU A 48 -16.547 -1.157 -0.705 1.00 0.00 O ATOM 0 H GLU A 48 -14.912 -2.703 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.645 -5.525 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.064 -5.051 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.395 -4.703 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.955 -2.562 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -19.106 -3.037 -1.044 1.00 0.00 H new ATOM 747 N ILE A 49 -15.426 -5.275 -4.022 1.00 0.00 N ATOM 748 CA ILE A 49 -15.440 -5.283 -5.505 1.00 0.00 C ATOM 749 C ILE A 49 -16.558 -6.178 -6.041 1.00 0.00 C ATOM 750 O ILE A 49 -16.606 -7.365 -5.717 1.00 0.00 O ATOM 751 CB ILE A 49 -14.063 -5.744 -6.087 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.908 -4.808 -5.597 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.122 -5.792 -7.631 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.510 -5.224 -6.029 1.00 0.00 C ATOM 0 H ILE A 49 -14.968 -6.084 -3.602 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.626 -4.259 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.852 -6.749 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.099 -3.799 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.936 -4.762 -4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.157 -6.114 -8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.894 -6.495 -7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.357 -4.800 -8.017 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.782 -4.512 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.290 -6.218 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.455 -5.240 -7.118 1.00 0.00 H new ATOM 766 N ASP A 50 -17.434 -5.574 -6.884 1.00 0.00 N ATOM 767 CA ASP A 50 -18.659 -6.205 -7.424 1.00 0.00 C ATOM 768 C ASP A 50 -19.644 -6.535 -6.267 1.00 0.00 C ATOM 769 O ASP A 50 -20.541 -7.366 -6.393 1.00 0.00 O ATOM 770 CB ASP A 50 -18.300 -7.451 -8.309 1.00 0.00 C ATOM 771 CG ASP A 50 -19.490 -8.009 -9.113 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.953 -7.320 -10.048 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.969 -9.128 -8.817 1.00 0.00 O ATOM 0 H ASP A 50 -17.303 -4.617 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.171 -5.504 -8.084 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.504 -7.176 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.906 -8.239 -7.667 1.00 0.00 H new ATOM 778 N GLY A 51 -19.479 -5.806 -5.144 1.00 0.00 N ATOM 779 CA GLY A 51 -20.269 -6.007 -3.935 1.00 0.00 C ATOM 780 C GLY A 51 -19.704 -7.081 -3.022 1.00 0.00 C ATOM 781 O GLY A 51 -20.327 -7.410 -2.008 1.00 0.00 O ATOM 0 H GLY A 51 -18.788 -5.060 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.327 -5.067 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.287 -6.276 -4.215 1.00 0.00 H new ATOM 785 N LYS A 52 -18.528 -7.647 -3.386 1.00 0.00 N ATOM 786 CA LYS A 52 -17.874 -8.725 -2.622 1.00 0.00 C ATOM 787 C LYS A 52 -16.862 -8.143 -1.614 1.00 0.00 C ATOM 788 O LYS A 52 -15.797 -7.664 -2.036 1.00 0.00 O ATOM 789 CB LYS A 52 -17.148 -9.688 -3.603 1.00 0.00 C ATOM 790 CG LYS A 52 -18.030 -10.229 -4.754 1.00 0.00 C ATOM 791 CD LYS A 52 -17.234 -11.106 -5.755 1.00 0.00 C ATOM 792 CE LYS A 52 -18.062 -11.520 -6.987 1.00 0.00 C ATOM 793 NZ LYS A 52 -19.261 -12.322 -6.627 1.00 0.00 N ATOM 0 H LYS A 52 -18.010 -7.366 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.635 -9.273 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.292 -9.168 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.756 -10.533 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.848 -10.814 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.478 -9.391 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.351 -10.559 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.882 -12.002 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.376 -10.626 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.434 -12.097 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.782 -12.574 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.964 -13.189 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.877 -11.764 -6.002 1.00 0.00 H new ATOM 807 N PRO A 53 -17.164 -8.183 -0.272 1.00 0.00 N ATOM 808 CA PRO A 53 -16.247 -7.667 0.762 1.00 0.00 C ATOM 809 C PRO A 53 -15.023 -8.591 0.941 1.00 0.00 C ATOM 810 O PRO A 53 -15.165 -9.808 1.124 1.00 0.00 O ATOM 811 CB PRO A 53 -17.139 -7.584 2.029 1.00 0.00 C ATOM 812 CG PRO A 53 -18.181 -8.643 1.832 1.00 0.00 C ATOM 813 CD PRO A 53 -18.422 -8.715 0.334 1.00 0.00 C ATOM 0 HA PRO A 53 -15.811 -6.700 0.512 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.559 -7.763 2.934 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.591 -6.598 2.131 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.840 -9.603 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.099 -8.392 2.364 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.616 -9.738 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.287 -8.119 0.042 1.00 0.00 H new ATOM 821 N PHE A 54 -13.821 -8.000 0.880 1.00 0.00 N ATOM 822 CA PHE A 54 -12.549 -8.751 0.873 1.00 0.00 C ATOM 823 C PHE A 54 -11.583 -8.150 1.901 1.00 0.00 C ATOM 824 O PHE A 54 -11.644 -6.948 2.180 1.00 0.00 O ATOM 825 CB PHE A 54 -11.913 -8.757 -0.555 1.00 0.00 C ATOM 826 CG PHE A 54 -11.397 -7.396 -1.061 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.251 -6.482 -1.674 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.047 -7.039 -0.922 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.777 -5.263 -2.130 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.579 -5.822 -1.377 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.445 -4.933 -1.980 1.00 0.00 C ATOM 0 H PHE A 54 -13.699 -6.988 0.834 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.752 -9.786 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.084 -9.464 -0.561 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.655 -9.130 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.296 -6.727 -1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.362 -7.728 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.453 -4.567 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.536 -5.566 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.081 -3.980 -2.334 1.00 0.00 H new ATOM 841 N SER A 55 -10.705 -8.995 2.462 1.00 0.00 N ATOM 842 CA SER A 55 -9.641 -8.555 3.375 1.00 0.00 C ATOM 843 C SER A 55 -8.337 -9.315 3.080 1.00 0.00 C ATOM 844 O SER A 55 -8.312 -10.551 3.044 1.00 0.00 O ATOM 845 CB SER A 55 -10.075 -8.751 4.848 1.00 0.00 C ATOM 846 OG SER A 55 -10.409 -10.103 5.125 1.00 0.00 O ATOM 0 H SER A 55 -10.713 -10.001 2.295 1.00 0.00 H new ATOM 0 HA SER A 55 -9.460 -7.492 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.269 -8.433 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.933 -8.114 5.062 1.00 0.00 H new ATOM 0 HG SER A 55 -9.949 -10.690 4.489 1.00 0.00 H new ATOM 852 N ASP A 56 -7.271 -8.547 2.851 1.00 0.00 N ATOM 853 CA ASP A 56 -5.898 -9.044 2.666 1.00 0.00 C ATOM 854 C ASP A 56 -4.957 -8.052 3.363 1.00 0.00 C ATOM 855 O ASP A 56 -5.253 -6.866 3.413 1.00 0.00 O ATOM 856 CB ASP A 56 -5.566 -9.169 1.151 1.00 0.00 C ATOM 857 CG ASP A 56 -4.172 -9.769 0.857 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.158 -9.042 0.948 1.00 0.00 O ATOM 859 OD2 ASP A 56 -4.080 -10.977 0.534 1.00 0.00 O ATOM 0 H ASP A 56 -7.336 -7.531 2.786 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.781 -10.037 3.099 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.325 -9.790 0.674 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.628 -8.181 0.694 1.00 0.00 H new ATOM 864 N SER A 57 -3.840 -8.535 3.910 1.00 0.00 N ATOM 865 CA SER A 57 -2.865 -7.683 4.615 1.00 0.00 C ATOM 866 C SER A 57 -1.456 -8.251 4.438 1.00 0.00 C ATOM 867 O SER A 57 -1.265 -9.469 4.486 1.00 0.00 O ATOM 868 CB SER A 57 -3.238 -7.557 6.113 1.00 0.00 C ATOM 869 OG SER A 57 -3.354 -8.827 6.733 1.00 0.00 O ATOM 0 H SER A 57 -3.581 -9.521 3.880 1.00 0.00 H new ATOM 0 HA SER A 57 -2.887 -6.682 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.479 -6.968 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.180 -7.018 6.209 1.00 0.00 H new ATOM 0 HG SER A 57 -3.588 -8.710 7.677 1.00 0.00 H new ATOM 875 N PHE A 58 -0.479 -7.361 4.239 1.00 0.00 N ATOM 876 CA PHE A 58 0.922 -7.731 3.989 1.00 0.00 C ATOM 877 C PHE A 58 1.858 -6.688 4.614 1.00 0.00 C ATOM 878 O PHE A 58 1.489 -5.527 4.765 1.00 0.00 O ATOM 879 CB PHE A 58 1.177 -7.906 2.462 1.00 0.00 C ATOM 880 CG PHE A 58 0.790 -6.707 1.575 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.541 -6.492 1.204 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.756 -5.826 1.083 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.891 -5.428 0.393 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.405 -4.766 0.268 1.00 0.00 C ATOM 885 CZ PHE A 58 0.084 -4.571 -0.084 1.00 0.00 C ATOM 0 H PHE A 58 -0.637 -6.353 4.247 1.00 0.00 H new ATOM 0 HA PHE A 58 1.132 -8.691 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.236 -8.118 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.625 -8.781 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.307 -7.167 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.793 -5.975 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.926 -5.266 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.165 -4.089 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.187 -3.750 -0.731 1.00 0.00 H new ATOM 895 N GLU A 59 3.061 -7.126 5.006 1.00 0.00 N ATOM 896 CA GLU A 59 4.070 -6.276 5.671 1.00 0.00 C ATOM 897 C GLU A 59 5.388 -6.370 4.910 1.00 0.00 C ATOM 898 O GLU A 59 5.857 -7.472 4.601 1.00 0.00 O ATOM 899 CB GLU A 59 4.280 -6.722 7.140 1.00 0.00 C ATOM 900 CG GLU A 59 3.032 -6.585 8.029 1.00 0.00 C ATOM 901 CD GLU A 59 3.214 -7.190 9.428 1.00 0.00 C ATOM 902 OE1 GLU A 59 3.277 -8.432 9.545 1.00 0.00 O ATOM 903 OE2 GLU A 59 3.282 -6.436 10.417 1.00 0.00 O ATOM 0 H GLU A 59 3.369 -8.089 4.871 1.00 0.00 H new ATOM 0 HA GLU A 59 3.717 -5.245 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.605 -7.762 7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.087 -6.132 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.779 -5.529 8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.189 -7.071 7.537 1.00 0.00 H new ATOM 910 N LEU A 60 5.984 -5.219 4.623 1.00 0.00 N ATOM 911 CA LEU A 60 7.242 -5.127 3.882 1.00 0.00 C ATOM 912 C LEU A 60 8.222 -4.271 4.687 1.00 0.00 C ATOM 913 O LEU A 60 7.869 -3.144 5.068 1.00 0.00 O ATOM 914 CB LEU A 60 6.989 -4.520 2.474 1.00 0.00 C ATOM 915 CG LEU A 60 6.124 -5.390 1.501 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.771 -4.615 0.210 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.836 -6.726 1.172 1.00 0.00 C ATOM 0 H LEU A 60 5.606 -4.313 4.900 1.00 0.00 H new ATOM 0 HA LEU A 60 7.670 -6.120 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.500 -3.554 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.953 -4.331 2.002 1.00 0.00 H new ATOM 0 HG LEU A 60 5.188 -5.622 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.170 -5.249 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.206 -3.719 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.688 -4.330 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.215 -7.312 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.795 -6.520 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.999 -7.287 2.092 1.00 0.00 H new ATOM 929 N PRO A 61 9.464 -4.795 4.988 1.00 0.00 N ATOM 930 CA PRO A 61 10.542 -3.999 5.625 1.00 0.00 C ATOM 931 C PRO A 61 10.927 -2.786 4.763 1.00 0.00 C ATOM 932 O PRO A 61 10.650 -2.778 3.578 1.00 0.00 O ATOM 933 CB PRO A 61 11.711 -5.010 5.772 1.00 0.00 C ATOM 934 CG PRO A 61 11.416 -6.078 4.766 1.00 0.00 C ATOM 935 CD PRO A 61 9.911 -6.196 4.739 1.00 0.00 C ATOM 0 HA PRO A 61 10.246 -3.572 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.672 -4.535 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.757 -5.418 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.807 -5.812 3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.880 -7.023 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.552 -6.571 3.780 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.545 -6.879 5.505 1.00 0.00 H new ATOM 943 N ARG A 62 11.514 -1.752 5.394 1.00 0.00 N ATOM 944 CA ARG A 62 12.018 -0.525 4.708 1.00 0.00 C ATOM 945 C ARG A 62 12.825 -0.807 3.411 1.00 0.00 C ATOM 946 O ARG A 62 12.854 0.025 2.501 1.00 0.00 O ATOM 947 CB ARG A 62 12.886 0.292 5.694 1.00 0.00 C ATOM 948 CG ARG A 62 14.091 -0.482 6.272 1.00 0.00 C ATOM 949 CD ARG A 62 14.946 0.376 7.211 1.00 0.00 C ATOM 950 NE ARG A 62 16.087 -0.374 7.765 1.00 0.00 N ATOM 951 CZ ARG A 62 17.308 0.133 8.007 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.627 1.368 7.640 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.217 -0.612 8.608 1.00 0.00 N ATOM 0 H ARG A 62 11.658 -1.735 6.404 1.00 0.00 H new ATOM 0 HA ARG A 62 11.138 0.038 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.252 1.183 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.258 0.631 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.731 -1.357 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.711 -0.846 5.453 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.314 1.247 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.326 0.747 8.027 1.00 0.00 H new ATOM 0 HE ARG A 62 15.938 -1.359 7.983 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.939 1.952 7.164 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.560 1.733 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.991 -1.567 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.145 -0.233 8.794 1.00 0.00 H new ATOM 967 N ASP A 63 13.443 -1.996 3.343 1.00 0.00 N ATOM 968 CA ASP A 63 14.283 -2.414 2.211 1.00 0.00 C ATOM 969 C ASP A 63 13.426 -2.746 0.961 1.00 0.00 C ATOM 970 O ASP A 63 13.881 -2.579 -0.172 1.00 0.00 O ATOM 971 CB ASP A 63 15.131 -3.642 2.641 1.00 0.00 C ATOM 972 CG ASP A 63 16.123 -4.126 1.565 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.177 -3.484 1.384 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.853 -5.138 0.891 1.00 0.00 O ATOM 0 H ASP A 63 13.373 -2.700 4.078 1.00 0.00 H new ATOM 0 HA ASP A 63 14.943 -1.591 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.686 -3.389 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.460 -4.462 2.898 1.00 0.00 H new ATOM 979 N THR A 64 12.173 -3.191 1.188 1.00 0.00 N ATOM 980 CA THR A 64 11.257 -3.687 0.131 1.00 0.00 C ATOM 981 C THR A 64 9.855 -3.034 0.255 1.00 0.00 C ATOM 982 O THR A 64 8.923 -3.430 -0.445 1.00 0.00 O ATOM 983 CB THR A 64 11.120 -5.247 0.210 1.00 0.00 C ATOM 984 OG1 THR A 64 10.665 -5.624 1.517 1.00 0.00 O ATOM 985 CG2 THR A 64 12.451 -5.970 -0.091 1.00 0.00 C ATOM 0 H THR A 64 11.761 -3.218 2.120 1.00 0.00 H new ATOM 0 HA THR A 64 11.685 -3.413 -0.833 1.00 0.00 H new ATOM 0 HB THR A 64 10.399 -5.548 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.578 -6.599 1.565 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.303 -7.048 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.786 -5.712 -1.096 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.205 -5.661 0.633 1.00 0.00 H new ATOM 993 N ALA A 65 9.727 -2.040 1.167 1.00 0.00 N ATOM 994 CA ALA A 65 8.468 -1.287 1.404 1.00 0.00 C ATOM 995 C ALA A 65 8.010 -0.550 0.139 1.00 0.00 C ATOM 996 O ALA A 65 6.823 -0.390 -0.103 1.00 0.00 O ATOM 997 CB ALA A 65 8.642 -0.298 2.570 1.00 0.00 C ATOM 0 H ALA A 65 10.497 -1.735 1.763 1.00 0.00 H new ATOM 0 HA ALA A 65 7.694 -2.008 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.710 0.245 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.902 -0.846 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.437 0.409 2.332 1.00 0.00 H new ATOM 1003 N PHE A 66 9.004 -0.124 -0.649 1.00 0.00 N ATOM 1004 CA PHE A 66 8.810 0.572 -1.933 1.00 0.00 C ATOM 1005 C PHE A 66 8.269 -0.350 -3.045 1.00 0.00 C ATOM 1006 O PHE A 66 7.866 0.137 -4.105 1.00 0.00 O ATOM 1007 CB PHE A 66 10.145 1.218 -2.357 1.00 0.00 C ATOM 1008 CG PHE A 66 10.693 2.165 -1.294 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.092 3.402 -1.076 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.771 1.800 -0.483 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.559 4.246 -0.097 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.231 2.649 0.504 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.625 3.871 0.697 1.00 0.00 C ATOM 0 H PHE A 66 9.987 -0.255 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 66 8.049 1.339 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.878 0.436 -2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.002 1.765 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.250 3.701 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.250 0.843 -0.630 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.090 5.207 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.065 2.355 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.983 4.536 1.469 1.00 0.00 H new ATOM 1023 N ASN A 67 8.204 -1.666 -2.775 1.00 0.00 N ATOM 1024 CA ASN A 67 7.677 -2.671 -3.721 1.00 0.00 C ATOM 1025 C ASN A 67 6.158 -2.861 -3.501 1.00 0.00 C ATOM 1026 O ASN A 67 5.527 -3.676 -4.191 1.00 0.00 O ATOM 1027 CB ASN A 67 8.416 -4.035 -3.549 1.00 0.00 C ATOM 1028 CG ASN A 67 9.934 -3.979 -3.784 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.594 -2.975 -3.504 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.497 -5.057 -4.312 1.00 0.00 N ATOM 0 H ASN A 67 8.517 -2.066 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 67 7.850 -2.311 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.232 -4.408 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.982 -4.757 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.500 -5.070 -4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.927 -5.873 -4.534 1.00 0.00 H new ATOM 1037 N PHE A 68 5.599 -2.096 -2.527 1.00 0.00 N ATOM 1038 CA PHE A 68 4.183 -2.165 -2.124 1.00 0.00 C ATOM 1039 C PHE A 68 3.227 -2.013 -3.312 1.00 0.00 C ATOM 1040 O PHE A 68 2.266 -2.756 -3.406 1.00 0.00 O ATOM 1041 CB PHE A 68 3.866 -1.086 -1.047 1.00 0.00 C ATOM 1042 CG PHE A 68 3.760 0.363 -1.562 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.878 1.035 -2.063 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.531 1.027 -1.584 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.772 2.316 -2.566 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.428 2.308 -2.080 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.547 2.951 -2.575 1.00 0.00 C ATOM 0 H PHE A 68 6.133 -1.407 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 68 4.025 -3.157 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.926 -1.349 -0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.641 -1.124 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.840 0.544 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.650 0.529 -1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.646 2.820 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.472 2.810 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.462 3.953 -2.970 1.00 0.00 H new ATOM 1057 N ALA A 69 3.518 -1.049 -4.213 1.00 0.00 N ATOM 1058 CA ALA A 69 2.666 -0.730 -5.370 1.00 0.00 C ATOM 1059 C ALA A 69 2.441 -1.939 -6.288 1.00 0.00 C ATOM 1060 O ALA A 69 1.382 -2.054 -6.898 1.00 0.00 O ATOM 1061 CB ALA A 69 3.282 0.448 -6.144 1.00 0.00 C ATOM 0 H ALA A 69 4.356 -0.470 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 69 1.681 -0.448 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.654 0.688 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.350 1.317 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.279 0.175 -6.489 1.00 0.00 H new ATOM 1067 N SER A 70 3.428 -2.850 -6.348 1.00 0.00 N ATOM 1068 CA SER A 70 3.341 -4.065 -7.162 1.00 0.00 C ATOM 1069 C SER A 70 2.362 -5.064 -6.510 1.00 0.00 C ATOM 1070 O SER A 70 1.446 -5.567 -7.170 1.00 0.00 O ATOM 1071 CB SER A 70 4.751 -4.681 -7.327 1.00 0.00 C ATOM 1072 OG SER A 70 4.726 -5.870 -8.104 1.00 0.00 O ATOM 0 H SER A 70 4.304 -2.761 -5.833 1.00 0.00 H new ATOM 0 HA SER A 70 2.959 -3.819 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.411 -3.953 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.168 -4.899 -6.344 1.00 0.00 H new ATOM 0 HG SER A 70 5.635 -6.226 -8.186 1.00 0.00 H new ATOM 1078 N ASP A 71 2.560 -5.326 -5.200 1.00 0.00 N ATOM 1079 CA ASP A 71 1.759 -6.316 -4.450 1.00 0.00 C ATOM 1080 C ASP A 71 0.315 -5.830 -4.211 1.00 0.00 C ATOM 1081 O ASP A 71 -0.615 -6.603 -4.331 1.00 0.00 O ATOM 1082 CB ASP A 71 2.433 -6.664 -3.104 1.00 0.00 C ATOM 1083 CG ASP A 71 1.830 -7.929 -2.462 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.249 -9.046 -2.836 1.00 0.00 O ATOM 1085 OD2 ASP A 71 0.943 -7.819 -1.598 1.00 0.00 O ATOM 0 H ASP A 71 3.273 -4.862 -4.637 1.00 0.00 H new ATOM 0 HA ASP A 71 1.709 -7.215 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.501 -6.812 -3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.326 -5.824 -2.418 1.00 0.00 H new ATOM 1090 N ALA A 72 0.171 -4.568 -3.790 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.139 -3.866 -3.717 1.00 0.00 C ATOM 1092 C ALA A 72 -1.990 -4.042 -5.005 1.00 0.00 C ATOM 1093 O ALA A 72 -3.212 -4.211 -4.933 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.921 -2.379 -3.402 1.00 0.00 C ATOM 0 H ALA A 72 0.957 -3.993 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.709 -4.326 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.885 -1.873 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.408 -2.281 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.315 -1.926 -4.187 1.00 0.00 H new ATOM 1100 N THR A 73 -1.324 -4.013 -6.175 1.00 0.00 N ATOM 1101 CA THR A 73 -1.981 -4.278 -7.473 1.00 0.00 C ATOM 1102 C THR A 73 -2.333 -5.783 -7.616 1.00 0.00 C ATOM 1103 O THR A 73 -3.399 -6.119 -8.141 1.00 0.00 O ATOM 1104 CB THR A 73 -1.095 -3.805 -8.670 1.00 0.00 C ATOM 1105 OG1 THR A 73 -0.795 -2.412 -8.511 1.00 0.00 O ATOM 1106 CG2 THR A 73 -1.774 -4.010 -10.041 1.00 0.00 C ATOM 0 H THR A 73 -0.328 -3.808 -6.250 1.00 0.00 H new ATOM 0 HA THR A 73 -2.907 -3.703 -7.496 1.00 0.00 H new ATOM 0 HB THR A 73 -0.190 -4.413 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.057 -2.313 -8.037 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.109 -3.662 -10.832 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.988 -5.069 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.705 -3.444 -10.074 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.432 -6.672 -7.126 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.647 -8.144 -7.102 1.00 0.00 C ATOM 1116 C ARG A 74 -2.928 -8.502 -6.318 1.00 0.00 C ATOM 1117 O ARG A 74 -3.757 -9.275 -6.799 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.398 -8.849 -6.483 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.615 -10.295 -5.969 1.00 0.00 C ATOM 1120 CD ARG A 74 0.619 -10.864 -5.249 1.00 0.00 C ATOM 1121 NE ARG A 74 0.343 -12.163 -4.595 1.00 0.00 N ATOM 1122 CZ ARG A 74 0.392 -12.393 -3.265 1.00 0.00 C ATOM 1123 NH1 ARG A 74 0.668 -11.417 -2.410 1.00 0.00 N ATOM 1124 NH2 ARG A 74 0.158 -13.610 -2.797 1.00 0.00 N ATOM 0 H ARG A 74 -0.533 -6.389 -6.735 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.779 -8.497 -8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.393 -8.867 -7.233 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.037 -8.241 -5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.466 -10.310 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.869 -10.940 -6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.430 -10.987 -5.967 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.961 -10.149 -4.501 1.00 0.00 H new ATOM 0 HE ARG A 74 0.096 -12.948 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.848 -10.474 -2.754 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.701 -11.610 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.059 -14.371 -3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.194 -13.786 -1.793 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.064 -7.922 -5.117 1.00 0.00 N ATOM 1139 CA VAL A 75 -4.233 -8.109 -4.244 1.00 0.00 C ATOM 1140 C VAL A 75 -5.518 -7.675 -4.970 1.00 0.00 C ATOM 1141 O VAL A 75 -6.498 -8.422 -5.042 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.080 -7.274 -2.915 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -5.323 -7.412 -2.003 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -2.792 -7.659 -2.151 1.00 0.00 C ATOM 0 H VAL A 75 -2.358 -7.303 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.297 -9.168 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.999 -6.227 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.178 -6.822 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.205 -7.052 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.463 -8.459 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.718 -7.065 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.825 -8.717 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.924 -7.467 -2.781 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.451 -6.480 -5.563 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.599 -5.804 -6.172 1.00 0.00 C ATOM 1156 C ALA A 76 -7.122 -6.554 -7.416 1.00 0.00 C ATOM 1157 O ALA A 76 -8.338 -6.705 -7.590 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.180 -4.374 -6.524 1.00 0.00 C ATOM 0 H ALA A 76 -4.584 -5.947 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.424 -5.789 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.020 -3.850 -6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.875 -3.851 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.346 -4.401 -7.225 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.184 -7.044 -8.255 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.509 -7.706 -9.536 1.00 0.00 C ATOM 1166 C GLN A 77 -7.114 -9.103 -9.297 1.00 0.00 C ATOM 1167 O GLN A 77 -8.023 -9.516 -10.028 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.256 -7.787 -10.456 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.140 -8.731 -9.954 1.00 0.00 C ATOM 1170 CD GLN A 77 -2.857 -8.676 -10.779 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.512 -7.649 -11.347 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -2.133 -9.779 -10.842 1.00 0.00 N ATOM 0 H GLN A 77 -5.183 -6.992 -8.064 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.258 -7.101 -10.046 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.571 -8.115 -11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.841 -6.785 -10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.905 -8.480 -8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.516 -9.754 -9.956 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.444 -10.622 -10.359 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.263 -9.788 -11.374 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.614 -9.810 -8.253 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.142 -11.130 -7.840 1.00 0.00 C ATOM 1183 C LYS A 78 -8.593 -11.021 -7.340 1.00 0.00 C ATOM 1184 O LYS A 78 -9.360 -11.977 -7.446 1.00 0.00 O ATOM 1185 CB LYS A 78 -6.249 -11.774 -6.746 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.857 -12.216 -7.245 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.002 -12.866 -6.133 1.00 0.00 C ATOM 1188 CE LYS A 78 -2.635 -13.347 -6.641 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.743 -14.410 -7.680 1.00 0.00 N ATOM 0 H LYS A 78 -5.838 -9.482 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.129 -11.772 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.121 -11.061 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.767 -12.640 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.978 -12.924 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.328 -11.351 -7.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.853 -12.147 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.545 -13.711 -5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.087 -12.499 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.053 -13.725 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.797 -14.790 -7.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.355 -15.175 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.152 -14.007 -8.547 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.959 -9.844 -6.804 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.323 -9.584 -6.297 1.00 0.00 C ATOM 1205 C HIS A 79 -11.180 -8.835 -7.331 1.00 0.00 C ATOM 1206 O HIS A 79 -12.323 -8.466 -7.032 1.00 0.00 O ATOM 1207 CB HIS A 79 -10.263 -8.821 -4.947 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.657 -9.641 -3.839 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -10.180 -10.850 -3.439 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -8.554 -9.448 -3.076 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.427 -11.358 -2.489 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.434 -10.528 -2.248 1.00 0.00 N ATOM 0 H HIS A 79 -8.326 -9.050 -6.709 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.807 -10.545 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.682 -7.908 -5.077 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -11.270 -8.520 -4.660 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.891 -8.596 -3.115 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.595 -12.300 -1.989 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.697 -10.668 -1.557 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.648 -8.665 -8.564 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.394 -8.069 -9.671 1.00 0.00 C ATOM 1223 C GLY A 80 -11.010 -6.627 -9.923 1.00 0.00 C ATOM 1224 O GLY A 80 -11.558 -5.726 -9.306 1.00 0.00 O ATOM 0 H GLY A 80 -9.696 -8.938 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.220 -8.651 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.461 -8.125 -9.457 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.057 -6.395 -10.828 1.00 0.00 N ATOM 1229 CA LEU A 81 -9.637 -5.028 -11.188 1.00 0.00 C ATOM 1230 C LEU A 81 -9.319 -4.936 -12.681 1.00 0.00 C ATOM 1231 O LEU A 81 -8.819 -5.895 -13.283 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.405 -4.606 -10.341 1.00 0.00 C ATOM 1233 CG LEU A 81 -7.853 -3.162 -10.571 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -8.910 -2.094 -10.243 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -6.555 -2.923 -9.769 1.00 0.00 C ATOM 0 H LEU A 81 -9.559 -7.131 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.459 -4.345 -10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.667 -4.706 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.599 -5.313 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.612 -3.072 -11.630 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.491 -1.103 -10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.781 -2.235 -10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.208 -2.186 -9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.197 -1.910 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.756 -3.052 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.796 -3.638 -10.084 1.00 0.00 H new ATOM 1466 N TYR A 95 4.235 6.131 -9.599 1.00 0.00 N ATOM 1467 CA TYR A 95 5.032 5.260 -8.718 1.00 0.00 C ATOM 1468 C TYR A 95 6.029 6.100 -7.905 1.00 0.00 C ATOM 1469 O TYR A 95 6.177 5.905 -6.701 1.00 0.00 O ATOM 1470 CB TYR A 95 5.790 4.224 -9.597 1.00 0.00 C ATOM 1471 CG TYR A 95 6.513 3.100 -8.825 1.00 0.00 C ATOM 1472 CD1 TYR A 95 7.829 3.252 -8.365 1.00 0.00 C ATOM 1473 CD2 TYR A 95 5.882 1.879 -8.569 1.00 0.00 C ATOM 1474 CE1 TYR A 95 8.475 2.239 -7.685 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.530 0.867 -7.885 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.823 1.051 -7.450 1.00 0.00 C ATOM 1477 OH TYR A 95 8.465 0.036 -6.777 1.00 0.00 O ATOM 0 HA TYR A 95 4.376 4.740 -8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.079 3.768 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.524 4.755 -10.203 1.00 0.00 H new ATOM 0 HD1 TYR A 95 8.348 4.181 -8.547 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.870 1.723 -8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.488 2.379 -7.339 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.022 -0.067 -7.692 1.00 0.00 H new ATOM 0 HH TYR A 95 8.269 0.103 -5.819 1.00 0.00 H new ATOM 1487 N ASP A 96 6.666 7.053 -8.608 1.00 0.00 N ATOM 1488 CA ASP A 96 7.705 7.941 -8.061 1.00 0.00 C ATOM 1489 C ASP A 96 7.190 8.838 -6.930 1.00 0.00 C ATOM 1490 O ASP A 96 7.942 9.151 -6.007 1.00 0.00 O ATOM 1491 CB ASP A 96 8.296 8.820 -9.191 1.00 0.00 C ATOM 1492 CG ASP A 96 8.927 7.982 -10.312 1.00 0.00 C ATOM 1493 OD1 ASP A 96 10.105 7.587 -10.180 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.236 7.685 -11.311 1.00 0.00 O ATOM 0 H ASP A 96 6.468 7.230 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 96 8.477 7.299 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.509 9.448 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.049 9.488 -8.772 1.00 0.00 H new ATOM 1499 N ALA A 97 5.914 9.252 -7.014 1.00 0.00 N ATOM 1500 CA ALA A 97 5.320 10.196 -6.051 1.00 0.00 C ATOM 1501 C ALA A 97 5.115 9.526 -4.685 1.00 0.00 C ATOM 1502 O ALA A 97 5.549 10.045 -3.649 1.00 0.00 O ATOM 1503 CB ALA A 97 3.992 10.742 -6.613 1.00 0.00 C ATOM 0 H ALA A 97 5.271 8.945 -7.744 1.00 0.00 H new ATOM 0 HA ALA A 97 6.004 11.032 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.554 11.440 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.180 11.257 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.302 9.916 -6.782 1.00 0.00 H new ATOM 1509 N MET A 98 4.442 8.368 -4.720 1.00 0.00 N ATOM 1510 CA MET A 98 4.243 7.489 -3.551 1.00 0.00 C ATOM 1511 C MET A 98 5.587 6.965 -2.991 1.00 0.00 C ATOM 1512 O MET A 98 5.725 6.773 -1.781 1.00 0.00 O ATOM 1513 CB MET A 98 3.319 6.306 -3.941 1.00 0.00 C ATOM 1514 CG MET A 98 1.867 6.691 -4.299 1.00 0.00 C ATOM 1515 SD MET A 98 1.740 7.846 -5.688 1.00 0.00 S ATOM 1516 CE MET A 98 -0.032 8.052 -5.854 1.00 0.00 C ATOM 0 H MET A 98 4.013 8.007 -5.572 1.00 0.00 H new ATOM 0 HA MET A 98 3.771 8.075 -2.762 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.760 5.788 -4.792 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.296 5.597 -3.113 1.00 0.00 H new ATOM 0 HG2 MET A 98 1.309 5.786 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.392 7.135 -3.424 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.246 8.667 -6.728 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.502 7.076 -5.973 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.427 8.538 -4.962 1.00 0.00 H new ATOM 1526 N PHE A 99 6.548 6.735 -3.905 1.00 0.00 N ATOM 1527 CA PHE A 99 7.911 6.265 -3.564 1.00 0.00 C ATOM 1528 C PHE A 99 8.622 7.299 -2.662 1.00 0.00 C ATOM 1529 O PHE A 99 9.099 6.968 -1.571 1.00 0.00 O ATOM 1530 CB PHE A 99 8.724 6.024 -4.869 1.00 0.00 C ATOM 1531 CG PHE A 99 10.088 5.329 -4.702 1.00 0.00 C ATOM 1532 CD1 PHE A 99 11.215 6.028 -4.249 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.245 3.977 -5.011 1.00 0.00 C ATOM 1534 CE1 PHE A 99 12.437 5.400 -4.116 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.472 3.354 -4.875 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.564 4.065 -4.424 1.00 0.00 C ATOM 0 H PHE A 99 6.404 6.869 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 99 7.840 5.325 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.115 5.425 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.887 6.987 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.126 7.075 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.396 3.409 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.295 5.957 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.575 2.308 -5.123 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.519 3.574 -4.312 1.00 0.00 H new ATOM 1546 N GLU A 100 8.677 8.552 -3.152 1.00 0.00 N ATOM 1547 CA GLU A 100 9.343 9.670 -2.461 1.00 0.00 C ATOM 1548 C GLU A 100 8.583 10.107 -1.196 1.00 0.00 C ATOM 1549 O GLU A 100 9.188 10.641 -0.257 1.00 0.00 O ATOM 1550 CB GLU A 100 9.580 10.857 -3.426 1.00 0.00 C ATOM 1551 CG GLU A 100 10.546 10.525 -4.587 1.00 0.00 C ATOM 1552 CD GLU A 100 10.805 11.719 -5.523 1.00 0.00 C ATOM 1553 OE1 GLU A 100 11.701 12.547 -5.223 1.00 0.00 O ATOM 1554 OE2 GLU A 100 10.144 11.819 -6.577 1.00 0.00 O ATOM 0 H GLU A 100 8.258 8.817 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 100 10.317 9.311 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.623 11.175 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.979 11.700 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.495 10.183 -4.174 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.135 9.699 -5.168 1.00 0.00 H new ATOM 1561 N ASP A 101 7.261 9.888 -1.187 1.00 0.00 N ATOM 1562 CA ASP A 101 6.409 10.169 -0.017 1.00 0.00 C ATOM 1563 C ASP A 101 6.809 9.258 1.164 1.00 0.00 C ATOM 1564 O ASP A 101 7.168 9.733 2.256 1.00 0.00 O ATOM 1565 CB ASP A 101 4.917 9.970 -0.403 1.00 0.00 C ATOM 1566 CG ASP A 101 3.939 10.308 0.734 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.688 11.513 0.964 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.421 9.383 1.402 1.00 0.00 O ATOM 0 H ASP A 101 6.751 9.512 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 101 6.549 11.203 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.687 10.594 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.764 8.935 -0.708 1.00 0.00 H new ATOM 1573 N ILE A 102 6.725 7.944 0.907 1.00 0.00 N ATOM 1574 CA ILE A 102 7.100 6.890 1.863 1.00 0.00 C ATOM 1575 C ILE A 102 8.590 6.963 2.301 1.00 0.00 C ATOM 1576 O ILE A 102 8.866 6.763 3.479 1.00 0.00 O ATOM 1577 CB ILE A 102 6.715 5.466 1.286 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.151 5.348 1.184 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.304 4.293 2.121 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.626 4.009 0.702 1.00 0.00 C ATOM 0 H ILE A 102 6.390 7.578 0.016 1.00 0.00 H new ATOM 0 HA ILE A 102 6.527 7.059 2.775 1.00 0.00 H new ATOM 0 HB ILE A 102 7.158 5.383 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.724 5.554 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.789 6.124 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.006 3.344 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.392 4.363 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.928 4.349 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.537 4.036 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.015 3.803 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.949 3.224 1.386 1.00 0.00 H new ATOM 1592 N ARG A 103 9.539 7.300 1.383 1.00 0.00 N ATOM 1593 CA ARG A 103 10.997 7.357 1.740 1.00 0.00 C ATOM 1594 C ARG A 103 11.270 8.451 2.783 1.00 0.00 C ATOM 1595 O ARG A 103 12.136 8.297 3.656 1.00 0.00 O ATOM 1596 CB ARG A 103 11.923 7.501 0.480 1.00 0.00 C ATOM 1597 CG ARG A 103 11.934 8.856 -0.263 1.00 0.00 C ATOM 1598 CD ARG A 103 12.881 9.915 0.335 1.00 0.00 C ATOM 1599 NE ARG A 103 14.303 9.571 0.165 1.00 0.00 N ATOM 1600 CZ ARG A 103 15.320 10.114 0.855 1.00 0.00 C ATOM 1601 NH1 ARG A 103 15.099 10.949 1.867 1.00 0.00 N ATOM 1602 NH2 ARG A 103 16.563 9.783 0.545 1.00 0.00 N ATOM 0 H ARG A 103 9.334 7.532 0.411 1.00 0.00 H new ATOM 0 HA ARG A 103 11.251 6.398 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.945 7.282 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.635 6.731 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.216 8.682 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.921 9.258 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.686 10.878 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.665 10.031 1.397 1.00 0.00 H new ATOM 0 HE ARG A 103 14.534 8.864 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.143 11.188 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.885 11.350 2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.741 9.122 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.343 10.189 1.062 1.00 0.00 H new ATOM 1616 N ALA A 104 10.506 9.554 2.677 1.00 0.00 N ATOM 1617 CA ALA A 104 10.655 10.718 3.550 1.00 0.00 C ATOM 1618 C ALA A 104 10.109 10.404 4.951 1.00 0.00 C ATOM 1619 O ALA A 104 10.756 10.713 5.959 1.00 0.00 O ATOM 1620 CB ALA A 104 9.954 11.932 2.922 1.00 0.00 C ATOM 0 H ALA A 104 9.768 9.657 1.980 1.00 0.00 H new ATOM 0 HA ALA A 104 11.712 10.961 3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.068 12.796 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.402 12.149 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.894 11.713 2.791 1.00 0.00 H new ATOM 1626 N LYS A 105 8.899 9.803 4.989 1.00 0.00 N ATOM 1627 CA LYS A 105 8.253 9.316 6.229 1.00 0.00 C ATOM 1628 C LYS A 105 9.135 8.288 6.974 1.00 0.00 C ATOM 1629 O LYS A 105 9.231 8.312 8.205 1.00 0.00 O ATOM 1630 CB LYS A 105 6.868 8.680 5.884 1.00 0.00 C ATOM 1631 CG LYS A 105 5.840 8.590 7.063 1.00 0.00 C ATOM 1632 CD LYS A 105 4.863 9.809 7.133 1.00 0.00 C ATOM 1633 CE LYS A 105 5.545 11.156 7.458 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.819 11.322 8.901 1.00 0.00 N ATOM 0 H LYS A 105 8.338 9.641 4.153 1.00 0.00 H new ATOM 0 HA LYS A 105 8.114 10.170 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.416 9.258 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.038 7.674 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.259 7.674 6.958 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.384 8.516 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.345 9.899 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.104 9.608 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.481 11.228 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.909 11.973 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.277 12.242 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.925 11.281 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.448 10.560 9.225 1.00 0.00 H new ATOM 1648 N LEU A 106 9.757 7.379 6.200 1.00 0.00 N ATOM 1649 CA LEU A 106 10.650 6.329 6.740 1.00 0.00 C ATOM 1650 C LEU A 106 11.911 6.929 7.392 1.00 0.00 C ATOM 1651 O LEU A 106 12.388 6.411 8.406 1.00 0.00 O ATOM 1652 CB LEU A 106 11.033 5.286 5.631 1.00 0.00 C ATOM 1653 CG LEU A 106 10.149 3.991 5.552 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.647 4.325 5.524 1.00 0.00 C ATOM 1655 CD2 LEU A 106 10.542 3.116 4.331 1.00 0.00 C ATOM 0 H LEU A 106 9.657 7.349 5.185 1.00 0.00 H new ATOM 0 HA LEU A 106 10.097 5.806 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.992 5.786 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.068 4.983 5.790 1.00 0.00 H new ATOM 0 HG LEU A 106 10.341 3.416 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.070 3.402 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.378 4.868 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.428 4.942 4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.913 2.227 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.403 3.688 3.414 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.587 2.818 4.418 1.00 0.00 H new ATOM 1667 N HIS A 107 12.457 7.997 6.786 1.00 0.00 N ATOM 1668 CA HIS A 107 13.616 8.723 7.350 1.00 0.00 C ATOM 1669 C HIS A 107 13.202 9.556 8.590 1.00 0.00 C ATOM 1670 O HIS A 107 14.012 9.774 9.500 1.00 0.00 O ATOM 1671 CB HIS A 107 14.262 9.618 6.261 1.00 0.00 C ATOM 1672 CG HIS A 107 15.593 10.211 6.655 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.784 9.526 6.537 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.915 11.416 7.186 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.771 10.278 6.980 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.268 11.427 7.379 1.00 0.00 N ATOM 0 H HIS A 107 12.116 8.380 5.904 1.00 0.00 H new ATOM 0 HA HIS A 107 14.356 7.995 7.681 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.394 9.028 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.574 10.428 6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.229 12.219 7.414 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.814 9.999 7.011 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.803 12.202 7.770 1.00 0.00 H new ATOM 1685 N ALA A 108 11.933 10.032 8.579 1.00 0.00 N ATOM 1686 CA ALA A 108 11.261 10.712 9.718 1.00 0.00 C ATOM 1687 C ALA A 108 11.863 12.090 10.072 1.00 0.00 C ATOM 1688 O ALA A 108 11.481 12.693 11.079 1.00 0.00 O ATOM 1689 CB ALA A 108 11.224 9.785 10.953 1.00 0.00 C ATOM 0 H ALA A 108 11.332 9.953 7.759 1.00 0.00 H new ATOM 0 HA ALA A 108 10.242 10.918 9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.729 10.297 11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.675 8.876 10.709 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.242 9.527 11.245 1.00 0.00 H new ATOM 1727 N GLY A 111 15.106 15.469 5.174 1.00 0.00 N ATOM 1728 CA GLY A 111 16.165 14.919 4.324 1.00 0.00 C ATOM 1729 C GLY A 111 15.607 14.439 2.994 1.00 0.00 C ATOM 1730 O GLY A 111 16.147 13.519 2.374 1.00 0.00 O ATOM 0 HA2 GLY A 111 16.926 15.679 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 111 16.654 14.091 4.837 1.00 0.00 H new ATOM 1734 N GLU A 112 14.516 15.093 2.557 1.00 0.00 N ATOM 1735 CA GLU A 112 13.761 14.726 1.346 1.00 0.00 C ATOM 1736 C GLU A 112 14.436 15.311 0.077 1.00 0.00 C ATOM 1737 O GLU A 112 15.058 16.384 0.142 1.00 0.00 O ATOM 1738 CB GLU A 112 12.291 15.219 1.476 1.00 0.00 C ATOM 1739 CG GLU A 112 12.129 16.742 1.678 1.00 0.00 C ATOM 1740 CD GLU A 112 10.670 17.158 1.912 1.00 0.00 C ATOM 1741 OE1 GLU A 112 9.935 17.364 0.922 1.00 0.00 O ATOM 1742 OE2 GLU A 112 10.241 17.252 3.085 1.00 0.00 O ATOM 0 H GLU A 112 14.129 15.902 3.042 1.00 0.00 H new ATOM 0 HA GLU A 112 13.758 13.641 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.745 14.926 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 112 11.824 14.705 2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.733 17.058 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 112 12.515 17.263 0.802 1.00 0.00 H new ATOM 1749 N PRO A 113 14.362 14.593 -1.089 1.00 0.00 N ATOM 1750 CA PRO A 113 14.880 15.090 -2.387 1.00 0.00 C ATOM 1751 C PRO A 113 13.817 15.909 -3.156 1.00 0.00 C ATOM 1752 O PRO A 113 12.785 16.295 -2.592 1.00 0.00 O ATOM 1753 CB PRO A 113 15.227 13.765 -3.101 1.00 0.00 C ATOM 1754 CG PRO A 113 14.148 12.820 -2.660 1.00 0.00 C ATOM 1755 CD PRO A 113 13.782 13.223 -1.242 1.00 0.00 C ATOM 0 HA PRO A 113 15.721 15.777 -2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.233 13.885 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 113 16.215 13.404 -2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.282 12.884 -3.318 1.00 0.00 H new ATOM 0 HG3 PRO A 113 14.497 11.788 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.702 13.229 -1.096 1.00 0.00 H new ATOM 0 HD3 PRO A 113 14.199 12.530 -0.511 1.00 0.00 H new ATOM 1763 N VAL A 114 14.086 16.188 -4.442 1.00 0.00 N ATOM 1764 CA VAL A 114 13.133 16.860 -5.340 1.00 0.00 C ATOM 1765 C VAL A 114 12.819 15.945 -6.545 1.00 0.00 C ATOM 1766 O VAL A 114 13.686 15.204 -7.031 1.00 0.00 O ATOM 1767 CB VAL A 114 13.670 18.275 -5.793 1.00 0.00 C ATOM 1768 CG1 VAL A 114 15.000 18.179 -6.585 1.00 0.00 C ATOM 1769 CG2 VAL A 114 12.592 19.057 -6.581 1.00 0.00 C ATOM 0 H VAL A 114 14.972 15.953 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 114 12.204 17.041 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 114 13.892 18.835 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.325 19.179 -6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.763 17.715 -5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 114 14.848 17.576 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 114 12.991 20.027 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 114 12.309 18.492 -7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.715 19.204 -5.950 1.00 0.00 H new ATOM 1779 N ASP A 115 11.567 16.010 -7.004 1.00 0.00 N ATOM 1780 CA ASP A 115 11.002 15.093 -8.012 1.00 0.00 C ATOM 1781 C ASP A 115 11.307 15.517 -9.463 1.00 0.00 C ATOM 1782 O ASP A 115 10.958 14.781 -10.389 1.00 0.00 O ATOM 1783 CB ASP A 115 9.469 14.985 -7.806 1.00 0.00 C ATOM 1784 CG ASP A 115 8.738 16.328 -7.987 1.00 0.00 C ATOM 1785 OD1 ASP A 115 8.837 17.188 -7.082 1.00 0.00 O ATOM 1786 OD2 ASP A 115 8.082 16.540 -9.028 1.00 0.00 O ATOM 0 H ASP A 115 10.901 16.712 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 115 11.480 14.124 -7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.064 14.260 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.269 14.602 -6.805 1.00 0.00 H new ATOM 1791 N LEU A 116 11.945 16.695 -9.673 1.00 0.00 N ATOM 1792 CA LEU A 116 12.289 17.177 -11.037 1.00 0.00 C ATOM 1793 C LEU A 116 13.322 16.255 -11.714 1.00 0.00 C ATOM 1794 O LEU A 116 13.275 16.031 -12.931 1.00 0.00 O ATOM 1795 CB LEU A 116 12.738 18.682 -11.012 1.00 0.00 C ATOM 1796 CG LEU A 116 13.953 19.099 -10.091 1.00 0.00 C ATOM 1797 CD1 LEU A 116 15.337 18.756 -10.705 1.00 0.00 C ATOM 1798 CD2 LEU A 116 13.885 20.605 -9.734 1.00 0.00 C ATOM 0 H LEU A 116 12.230 17.325 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 116 11.389 17.133 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 116 12.985 18.970 -12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.876 19.278 -10.712 1.00 0.00 H new ATOM 0 HG LEU A 116 13.857 18.506 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 116 16.126 19.069 -10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.405 17.681 -10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.453 19.277 -11.655 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.732 20.867 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.919 21.198 -10.648 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.956 20.811 -9.203 1.00 0.00 H new ATOM 1810 N GLU A 117 14.217 15.675 -10.892 1.00 0.00 N ATOM 1811 CA GLU A 117 15.298 14.784 -11.362 1.00 0.00 C ATOM 1812 C GLU A 117 14.794 13.324 -11.499 1.00 0.00 C ATOM 1813 O GLU A 117 15.524 12.437 -11.950 1.00 0.00 O ATOM 1814 CB GLU A 117 16.495 14.891 -10.372 1.00 0.00 C ATOM 1815 CG GLU A 117 17.818 14.258 -10.865 1.00 0.00 C ATOM 1816 CD GLU A 117 18.972 14.422 -9.864 1.00 0.00 C ATOM 1817 OE1 GLU A 117 19.557 15.525 -9.787 1.00 0.00 O ATOM 1818 OE2 GLU A 117 19.278 13.463 -9.129 1.00 0.00 O ATOM 0 H GLU A 117 14.212 15.811 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 117 15.628 15.093 -12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 117 16.674 15.944 -10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 117 16.212 14.416 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 117 17.658 13.197 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 117 18.100 14.713 -11.814 1.00 0.00 H new ATOM 1825 N ARG A 118 13.516 13.096 -11.136 1.00 0.00 N ATOM 1826 CA ARG A 118 12.902 11.756 -11.138 1.00 0.00 C ATOM 1827 C ARG A 118 12.337 11.418 -12.530 1.00 0.00 C ATOM 1828 O ARG A 118 12.111 10.247 -12.849 1.00 0.00 O ATOM 1829 CB ARG A 118 11.795 11.683 -10.041 1.00 0.00 C ATOM 1830 CG ARG A 118 11.739 10.357 -9.264 1.00 0.00 C ATOM 1831 CD ARG A 118 13.023 10.111 -8.462 1.00 0.00 C ATOM 1832 NE ARG A 118 13.291 11.211 -7.521 1.00 0.00 N ATOM 1833 CZ ARG A 118 14.487 11.544 -7.022 1.00 0.00 C ATOM 1834 NH1 ARG A 118 15.594 10.910 -7.394 1.00 0.00 N ATOM 1835 NH2 ARG A 118 14.565 12.541 -6.160 1.00 0.00 N ATOM 0 H ARG A 118 12.882 13.836 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 118 13.665 11.013 -10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.952 12.496 -9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.826 11.853 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 118 10.885 10.368 -8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 118 11.583 9.534 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.936 9.174 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 118 13.865 10.002 -9.146 1.00 0.00 H new ATOM 0 HE ARG A 118 12.492 11.770 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.543 10.151 -8.074 1.00 0.00 H new ATOM 0 HH12 ARG A 118 16.494 11.182 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.722 13.044 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 118 15.469 12.808 -5.770 1.00 0.00 H new ATOM 1849 N ILE A 119 12.093 12.460 -13.343 1.00 0.00 N ATOM 1850 CA ILE A 119 11.705 12.296 -14.749 1.00 0.00 C ATOM 1851 C ILE A 119 12.983 12.045 -15.564 1.00 0.00 C ATOM 1852 O ILE A 119 13.136 10.995 -16.184 1.00 0.00 O ATOM 1853 CB ILE A 119 10.914 13.546 -15.329 1.00 0.00 C ATOM 1854 CG1 ILE A 119 9.530 13.763 -14.613 1.00 0.00 C ATOM 1855 CG2 ILE A 119 10.704 13.420 -16.863 1.00 0.00 C ATOM 1856 CD1 ILE A 119 9.602 14.334 -13.210 1.00 0.00 C ATOM 0 H ILE A 119 12.159 13.433 -13.044 1.00 0.00 H new ATOM 0 HA ILE A 119 11.018 11.452 -14.821 1.00 0.00 H new ATOM 0 HB ILE A 119 11.533 14.420 -15.129 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.924 14.429 -15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 119 9.009 12.807 -14.571 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.160 14.291 -17.228 1.00 0.00 H new ATOM 0 HG22 ILE A 119 11.673 13.363 -17.359 1.00 0.00 H new ATOM 0 HG23 ILE A 119 10.132 12.518 -17.079 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.594 14.443 -12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 119 10.175 13.661 -12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 119 10.089 15.309 -13.238 1.00 0.00 H new ATOM 1868 N ILE A 120 13.908 13.022 -15.517 1.00 0.00 N ATOM 1869 CA ILE A 120 15.190 12.958 -16.235 1.00 0.00 C ATOM 1870 C ILE A 120 16.286 12.515 -15.243 1.00 0.00 C ATOM 1871 O ILE A 120 16.826 13.343 -14.492 1.00 0.00 O ATOM 1872 CB ILE A 120 15.550 14.356 -16.881 1.00 0.00 C ATOM 1873 CG1 ILE A 120 14.357 14.917 -17.734 1.00 0.00 C ATOM 1874 CG2 ILE A 120 16.842 14.272 -17.732 1.00 0.00 C ATOM 1875 CD1 ILE A 120 13.967 14.077 -18.951 1.00 0.00 C ATOM 0 H ILE A 120 13.785 13.879 -14.978 1.00 0.00 H new ATOM 0 HA ILE A 120 15.115 12.237 -17.049 1.00 0.00 H new ATOM 0 HB ILE A 120 15.734 15.051 -16.062 1.00 0.00 H new ATOM 0 HG12 ILE A 120 13.485 15.015 -17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 120 14.616 15.920 -18.074 1.00 0.00 H new ATOM 0 HG21 ILE A 120 17.060 15.250 -18.161 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.674 13.959 -17.101 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.703 13.547 -18.534 1.00 0.00 H new ATOM 0 HD11 ILE A 120 13.134 14.552 -19.469 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.818 13.999 -19.627 1.00 0.00 H new ATOM 0 HD13 ILE A 120 13.670 13.080 -18.625 1.00 0.00 H new ATOM 1887 N ARG A 121 16.566 11.197 -15.209 1.00 0.00 N ATOM 1888 CA ARG A 121 17.553 10.616 -14.278 1.00 0.00 C ATOM 1889 C ARG A 121 18.973 10.783 -14.852 1.00 0.00 C ATOM 1890 O ARG A 121 19.771 11.560 -14.321 1.00 0.00 O ATOM 1891 CB ARG A 121 17.251 9.113 -13.978 1.00 0.00 C ATOM 1892 CG ARG A 121 15.895 8.826 -13.278 1.00 0.00 C ATOM 1893 CD ARG A 121 14.685 8.829 -14.226 1.00 0.00 C ATOM 1894 NE ARG A 121 14.726 7.720 -15.198 1.00 0.00 N ATOM 1895 CZ ARG A 121 13.771 7.447 -16.106 1.00 0.00 C ATOM 1896 NH1 ARG A 121 12.679 8.197 -16.208 1.00 0.00 N ATOM 1897 NH2 ARG A 121 13.914 6.407 -16.911 1.00 0.00 N ATOM 0 H ARG A 121 16.120 10.512 -15.819 1.00 0.00 H new ATOM 0 HA ARG A 121 17.483 11.153 -13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 121 17.278 8.561 -14.918 1.00 0.00 H new ATOM 0 HB3 ARG A 121 18.052 8.718 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 121 15.952 7.857 -12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 121 15.735 9.572 -12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 121 13.768 8.761 -13.640 1.00 0.00 H new ATOM 0 HD3 ARG A 121 14.650 9.777 -14.763 1.00 0.00 H new ATOM 0 HE ARG A 121 15.544 7.111 -15.180 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.551 8.999 -15.590 1.00 0.00 H new ATOM 0 HH12 ARG A 121 11.968 7.971 -16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 121 14.744 5.818 -16.841 1.00 0.00 H new ATOM 0 HH22 ARG A 121 13.194 6.194 -17.602 1.00 0.00 H new