USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -148:sc=-0.00247 (180deg=-0.137) USER MOD Set 2.1: A 8 TYR OH : rot -113:sc= 0.727 USER MOD Set 2.2: A 50 SER OG : rot -85:sc= 0.708 USER MOD Set 3.1: A 27 SER OG : rot 98:sc= 0.905 USER MOD Set 3.2: A 75 ASN : amide:sc= -1.77 X(o=-0.87,f=-1.1) USER MOD Set 4.1: A 18 GLN : amide:sc= -0.815 K(o=-2.2,f=-4!) USER MOD Set 4.2: A 19 SER OG : rot 90:sc= -1.41 USER MOD Single : A 7 SER OG : rot 16:sc= -0.604 USER MOD Single : A 13 THR OG1 : rot 102:sc= 1.09 USER MOD Single : A 14 MET CE :methyl -166:sc= 0 (180deg=-0.0722) USER MOD Single : A 21 GLN : amide:sc=-0.000975 X(o=-0.00098,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= 0.169 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -0:sc= 0.875! USER MOD Single : A 30 CYS SG : rot -93:sc= 0.247 USER MOD Single : A 34 SER OG : rot -58:sc= 0.258 USER MOD Single : A 35 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.2) USER MOD Single : A 39 TYR OH : rot 138:sc= 0.527 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.62 K(o=-1.6,f=-6.8!) USER MOD Single : A 49 ASN : amide:sc= -3.01! C(o=-3!,f=-7.5!) USER MOD Single : A 53 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 54 ASN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD Single : A 58 ASN : amide:sc= -8.75! C(o=-8.7!,f=-11!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.96! K(o=-5!,f=-1.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 82 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00278 USER MOD Single : A 86 MET CE :methyl -170:sc= -1.17 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -6.605 11.550 -2.458 1.00 0.00 N ATOM 89 CA SER A 7 -7.641 12.358 -1.838 1.00 0.00 C ATOM 90 C SER A 7 -8.968 11.596 -1.836 1.00 0.00 C ATOM 91 O SER A 7 -9.584 11.413 -2.884 1.00 0.00 O ATOM 92 CB SER A 7 -7.799 13.698 -2.558 1.00 0.00 C ATOM 93 OG SER A 7 -8.357 13.542 -3.860 1.00 0.00 O ATOM 0 HA SER A 7 -7.345 12.562 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.437 14.354 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.827 14.184 -2.636 1.00 0.00 H new ATOM 0 HG SER A 7 -8.765 12.654 -3.937 1.00 0.00 H new ATOM 99 N TYR A 8 -9.368 11.173 -0.646 1.00 0.00 N ATOM 100 CA TYR A 8 -10.611 10.435 -0.494 1.00 0.00 C ATOM 101 C TYR A 8 -11.778 11.187 -1.137 1.00 0.00 C ATOM 102 O TYR A 8 -12.723 10.572 -1.626 1.00 0.00 O ATOM 103 CB TYR A 8 -10.856 10.329 1.013 1.00 0.00 C ATOM 104 CG TYR A 8 -10.135 9.156 1.680 1.00 0.00 C ATOM 105 CD1 TYR A 8 -8.757 9.079 1.638 1.00 0.00 C ATOM 106 CD2 TYR A 8 -10.861 8.175 2.323 1.00 0.00 C ATOM 107 CE1 TYR A 8 -8.078 7.976 2.266 1.00 0.00 C ATOM 108 CE2 TYR A 8 -10.182 7.071 2.951 1.00 0.00 C ATOM 109 CZ TYR A 8 -8.824 7.026 2.891 1.00 0.00 C ATOM 110 OH TYR A 8 -8.182 5.983 3.484 1.00 0.00 O ATOM 0 H TYR A 8 -8.854 11.327 0.222 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.540 9.460 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.537 11.256 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.927 10.232 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.189 9.847 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.939 8.235 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.001 7.904 2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.738 6.297 3.458 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.396 5.154 3.007 1.00 0.00 H new ATOM 120 N ILE A 9 -11.673 12.508 -1.114 1.00 0.00 N ATOM 121 CA ILE A 9 -12.707 13.351 -1.689 1.00 0.00 C ATOM 122 C ILE A 9 -12.870 13.011 -3.172 1.00 0.00 C ATOM 123 O ILE A 9 -13.982 13.029 -3.698 1.00 0.00 O ATOM 124 CB ILE A 9 -12.403 14.827 -1.426 1.00 0.00 C ATOM 125 CG1 ILE A 9 -11.275 15.324 -2.331 1.00 0.00 C ATOM 126 CG2 ILE A 9 -12.100 15.069 0.054 1.00 0.00 C ATOM 127 CD1 ILE A 9 -11.833 16.083 -3.537 1.00 0.00 C ATOM 0 H ILE A 9 -10.887 13.015 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.667 13.157 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.292 15.408 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.609 15.974 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.679 14.478 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.887 16.126 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.962 14.778 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.235 14.476 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.010 16.425 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.479 15.423 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.408 16.942 -3.192 1.00 0.00 H new ATOM 139 N ALA A 10 -11.746 12.709 -3.804 1.00 0.00 N ATOM 140 CA ALA A 10 -11.750 12.366 -5.216 1.00 0.00 C ATOM 141 C ALA A 10 -12.436 11.012 -5.405 1.00 0.00 C ATOM 142 O ALA A 10 -13.463 10.920 -6.077 1.00 0.00 O ATOM 143 CB ALA A 10 -10.316 12.373 -5.747 1.00 0.00 C ATOM 0 H ALA A 10 -10.826 12.695 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.313 13.103 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.319 12.116 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.884 13.365 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.721 11.643 -5.198 1.00 0.00 H new ATOM 149 N LEU A 11 -11.841 9.994 -4.801 1.00 0.00 N ATOM 150 CA LEU A 11 -12.382 8.648 -4.894 1.00 0.00 C ATOM 151 C LEU A 11 -13.879 8.682 -4.581 1.00 0.00 C ATOM 152 O LEU A 11 -14.671 8.016 -5.245 1.00 0.00 O ATOM 153 CB LEU A 11 -11.589 7.689 -4.004 1.00 0.00 C ATOM 154 CG LEU A 11 -10.269 7.174 -4.582 1.00 0.00 C ATOM 155 CD1 LEU A 11 -10.388 6.931 -6.088 1.00 0.00 C ATOM 156 CD2 LEU A 11 -9.116 8.121 -4.244 1.00 0.00 C ATOM 0 H LEU A 11 -10.989 10.074 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.277 8.264 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.378 8.192 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.221 6.831 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.044 6.214 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.436 6.565 -6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.165 6.190 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.648 7.864 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.190 7.732 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.320 9.106 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.016 8.201 -3.162 1.00 0.00 H new ATOM 168 N ILE A 12 -14.222 9.465 -3.568 1.00 0.00 N ATOM 169 CA ILE A 12 -15.610 9.594 -3.158 1.00 0.00 C ATOM 170 C ILE A 12 -16.410 10.254 -4.283 1.00 0.00 C ATOM 171 O ILE A 12 -17.472 9.765 -4.664 1.00 0.00 O ATOM 172 CB ILE A 12 -15.707 10.331 -1.821 1.00 0.00 C ATOM 173 CG1 ILE A 12 -15.626 9.351 -0.648 1.00 0.00 C ATOM 174 CG2 ILE A 12 -16.969 11.194 -1.761 1.00 0.00 C ATOM 175 CD1 ILE A 12 -14.212 8.787 -0.502 1.00 0.00 C ATOM 0 H ILE A 12 -13.562 10.016 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.050 8.611 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.853 11.003 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -15.917 9.856 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -16.333 8.535 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -17.014 11.707 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -16.945 11.930 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -17.849 10.561 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.182 8.094 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.934 8.262 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.511 9.603 -0.325 1.00 0.00 H new ATOM 187 N THR A 13 -15.869 11.355 -4.784 1.00 0.00 N ATOM 188 CA THR A 13 -16.519 12.087 -5.857 1.00 0.00 C ATOM 189 C THR A 13 -16.900 11.138 -6.995 1.00 0.00 C ATOM 190 O THR A 13 -17.950 11.297 -7.616 1.00 0.00 O ATOM 191 CB THR A 13 -15.583 13.215 -6.295 1.00 0.00 C ATOM 192 OG1 THR A 13 -15.590 14.119 -5.194 1.00 0.00 O ATOM 193 CG2 THR A 13 -16.154 14.034 -7.454 1.00 0.00 C ATOM 0 H THR A 13 -14.987 11.758 -4.466 1.00 0.00 H new ATOM 0 HA THR A 13 -17.455 12.534 -5.521 1.00 0.00 H new ATOM 0 HB THR A 13 -14.621 12.795 -6.588 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.770 14.003 -4.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.450 14.821 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.319 13.383 -8.313 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.100 14.482 -7.151 1.00 0.00 H new ATOM 201 N MET A 14 -16.025 10.172 -7.235 1.00 0.00 N ATOM 202 CA MET A 14 -16.257 9.197 -8.287 1.00 0.00 C ATOM 203 C MET A 14 -17.227 8.108 -7.823 1.00 0.00 C ATOM 204 O MET A 14 -17.940 7.520 -8.634 1.00 0.00 O ATOM 205 CB MET A 14 -14.928 8.557 -8.693 1.00 0.00 C ATOM 206 CG MET A 14 -15.102 7.662 -9.921 1.00 0.00 C ATOM 207 SD MET A 14 -13.632 6.683 -10.177 1.00 0.00 S ATOM 208 CE MET A 14 -14.175 5.125 -9.495 1.00 0.00 C ATOM 0 H MET A 14 -15.155 10.044 -6.719 1.00 0.00 H new ATOM 0 HA MET A 14 -16.699 9.711 -9.141 1.00 0.00 H new ATOM 0 HB2 MET A 14 -14.196 9.336 -8.907 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.535 7.969 -7.863 1.00 0.00 H new ATOM 0 HG2 MET A 14 -15.964 7.009 -9.786 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.300 8.273 -10.802 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.314 4.474 -9.345 1.00 0.00 H new ATOM 0 HE2 MET A 14 -14.670 5.299 -8.539 1.00 0.00 H new ATOM 0 HE3 MET A 14 -14.873 4.650 -10.184 1.00 0.00 H new ATOM 218 N ALA A 15 -17.222 7.874 -6.519 1.00 0.00 N ATOM 219 CA ALA A 15 -18.093 6.866 -5.936 1.00 0.00 C ATOM 220 C ALA A 15 -19.536 7.373 -5.956 1.00 0.00 C ATOM 221 O ALA A 15 -20.475 6.582 -6.030 1.00 0.00 O ATOM 222 CB ALA A 15 -17.611 6.531 -4.523 1.00 0.00 C ATOM 0 H ALA A 15 -16.629 8.364 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.059 5.945 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -18.264 5.775 -4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.591 6.148 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.634 7.431 -3.908 1.00 0.00 H new ATOM 228 N ILE A 16 -19.668 8.690 -5.888 1.00 0.00 N ATOM 229 CA ILE A 16 -20.982 9.311 -5.896 1.00 0.00 C ATOM 230 C ILE A 16 -21.420 9.547 -7.343 1.00 0.00 C ATOM 231 O ILE A 16 -22.608 9.479 -7.654 1.00 0.00 O ATOM 232 CB ILE A 16 -20.980 10.579 -5.040 1.00 0.00 C ATOM 233 CG1 ILE A 16 -22.392 10.915 -4.555 1.00 0.00 C ATOM 234 CG2 ILE A 16 -20.339 11.748 -5.792 1.00 0.00 C ATOM 235 CD1 ILE A 16 -22.674 10.266 -3.199 1.00 0.00 C ATOM 0 H ILE A 16 -18.887 9.344 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 16 -21.720 8.649 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 16 -20.371 10.393 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -22.506 11.996 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -23.123 10.571 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -20.351 12.637 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.309 11.496 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.900 11.944 -6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -23.684 10.520 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -22.583 9.183 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.956 10.631 -2.465 1.00 0.00 H new ATOM 247 N LEU A 17 -20.437 9.819 -8.189 1.00 0.00 N ATOM 248 CA LEU A 17 -20.707 10.066 -9.595 1.00 0.00 C ATOM 249 C LEU A 17 -21.000 8.736 -10.294 1.00 0.00 C ATOM 250 O LEU A 17 -21.818 8.680 -11.211 1.00 0.00 O ATOM 251 CB LEU A 17 -19.560 10.854 -10.230 1.00 0.00 C ATOM 252 CG LEU A 17 -19.772 12.364 -10.355 1.00 0.00 C ATOM 253 CD1 LEU A 17 -21.226 12.686 -10.707 1.00 0.00 C ATOM 254 CD2 LEU A 17 -19.316 13.089 -9.087 1.00 0.00 C ATOM 0 H LEU A 17 -19.453 9.874 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 17 -21.594 10.690 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -18.658 10.681 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -19.375 10.450 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 17 -19.153 12.729 -11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -21.350 13.766 -10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.483 12.217 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.883 12.305 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -19.478 14.161 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -19.889 12.725 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -18.256 12.898 -8.920 1.00 0.00 H new ATOM 266 N GLN A 18 -20.316 7.699 -9.834 1.00 0.00 N ATOM 267 CA GLN A 18 -20.493 6.374 -10.404 1.00 0.00 C ATOM 268 C GLN A 18 -21.977 6.001 -10.428 1.00 0.00 C ATOM 269 O GLN A 18 -22.446 5.368 -11.373 1.00 0.00 O ATOM 270 CB GLN A 18 -19.678 5.333 -9.634 1.00 0.00 C ATOM 271 CG GLN A 18 -20.262 5.102 -8.238 1.00 0.00 C ATOM 272 CD GLN A 18 -21.192 3.888 -8.227 1.00 0.00 C ATOM 273 OE1 GLN A 18 -21.380 3.208 -9.222 1.00 0.00 O ATOM 274 NE2 GLN A 18 -21.762 3.654 -7.048 1.00 0.00 N ATOM 0 H GLN A 18 -19.638 7.749 -9.073 1.00 0.00 H new ATOM 0 HA GLN A 18 -20.125 6.388 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.666 4.394 -10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.644 5.666 -9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.454 4.952 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.811 5.988 -7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.561 4.263 -6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -22.400 2.866 -6.937 1.00 0.00 H new ATOM 283 N SER A 19 -22.674 6.408 -9.377 1.00 0.00 N ATOM 284 CA SER A 19 -24.094 6.124 -9.266 1.00 0.00 C ATOM 285 C SER A 19 -24.884 7.022 -10.220 1.00 0.00 C ATOM 286 O SER A 19 -24.965 8.232 -10.015 1.00 0.00 O ATOM 287 CB SER A 19 -24.584 6.316 -7.829 1.00 0.00 C ATOM 288 OG SER A 19 -23.636 5.845 -6.875 1.00 0.00 O ATOM 0 H SER A 19 -22.281 6.932 -8.595 1.00 0.00 H new ATOM 0 HA SER A 19 -24.256 5.082 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 19 -24.782 7.373 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 19 -25.528 5.787 -7.694 1.00 0.00 H new ATOM 0 HG SER A 19 -23.025 6.572 -6.635 1.00 0.00 H new ATOM 294 N PRO A 20 -25.460 6.379 -11.271 1.00 0.00 N ATOM 295 CA PRO A 20 -26.240 7.106 -12.257 1.00 0.00 C ATOM 296 C PRO A 20 -27.611 7.492 -11.697 1.00 0.00 C ATOM 297 O PRO A 20 -28.388 8.175 -12.362 1.00 0.00 O ATOM 298 CB PRO A 20 -26.329 6.174 -13.454 1.00 0.00 C ATOM 299 CG PRO A 20 -25.998 4.787 -12.927 1.00 0.00 C ATOM 300 CD PRO A 20 -25.385 4.947 -11.546 1.00 0.00 C ATOM 0 HA PRO A 20 -25.781 8.053 -12.540 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -27.326 6.197 -13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -25.629 6.473 -14.235 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -26.897 4.173 -12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -25.303 4.280 -13.597 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -25.933 4.371 -10.800 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -24.354 4.594 -11.527 1.00 0.00 H new ATOM 308 N GLN A 21 -27.866 7.037 -10.478 1.00 0.00 N ATOM 309 CA GLN A 21 -29.129 7.326 -9.821 1.00 0.00 C ATOM 310 C GLN A 21 -28.887 8.096 -8.521 1.00 0.00 C ATOM 311 O GLN A 21 -29.667 7.988 -7.577 1.00 0.00 O ATOM 312 CB GLN A 21 -29.916 6.041 -9.558 1.00 0.00 C ATOM 313 CG GLN A 21 -31.227 6.030 -10.348 1.00 0.00 C ATOM 314 CD GLN A 21 -32.407 5.662 -9.446 1.00 0.00 C ATOM 315 OE1 GLN A 21 -32.480 4.582 -8.884 1.00 0.00 O ATOM 316 NE2 GLN A 21 -33.325 6.619 -9.340 1.00 0.00 N ATOM 0 H GLN A 21 -27.219 6.471 -9.929 1.00 0.00 H new ATOM 0 HA GLN A 21 -29.727 7.951 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -29.312 5.177 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -30.128 5.952 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -31.396 7.011 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -31.155 5.316 -11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -33.202 7.501 -9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -34.152 6.471 -8.761 1.00 0.00 H new ATOM 325 N LYS A 22 -27.802 8.857 -8.515 1.00 0.00 N ATOM 326 CA LYS A 22 -27.447 9.645 -7.347 1.00 0.00 C ATOM 327 C LYS A 22 -27.841 8.880 -6.082 1.00 0.00 C ATOM 328 O LYS A 22 -28.649 9.360 -5.288 1.00 0.00 O ATOM 329 CB LYS A 22 -28.063 11.043 -7.437 1.00 0.00 C ATOM 330 CG LYS A 22 -27.196 11.970 -8.292 1.00 0.00 C ATOM 331 CD LYS A 22 -27.567 11.855 -9.772 1.00 0.00 C ATOM 332 CE LYS A 22 -28.672 12.848 -10.139 1.00 0.00 C ATOM 333 NZ LYS A 22 -29.291 12.479 -11.432 1.00 0.00 N ATOM 0 H LYS A 22 -27.157 8.944 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 22 -26.369 9.799 -7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -29.063 10.977 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -28.172 11.461 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -27.322 13.001 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -26.144 11.718 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -26.687 12.042 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -27.898 10.840 -9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -29.431 12.862 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -28.259 13.855 -10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -30.039 13.163 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -28.567 12.488 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -29.703 11.527 -11.361 1.00 0.00 H new ATOM 347 N LYS A 23 -27.251 7.703 -5.933 1.00 0.00 N ATOM 348 CA LYS A 23 -27.530 6.867 -4.778 1.00 0.00 C ATOM 349 C LYS A 23 -26.473 5.764 -4.685 1.00 0.00 C ATOM 350 O LYS A 23 -26.107 5.163 -5.694 1.00 0.00 O ATOM 351 CB LYS A 23 -28.966 6.339 -4.833 1.00 0.00 C ATOM 352 CG LYS A 23 -29.362 5.690 -3.505 1.00 0.00 C ATOM 353 CD LYS A 23 -30.881 5.701 -3.322 1.00 0.00 C ATOM 354 CE LYS A 23 -31.424 4.280 -3.158 1.00 0.00 C ATOM 355 NZ LYS A 23 -32.585 4.271 -2.240 1.00 0.00 N ATOM 0 H LYS A 23 -26.581 7.309 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 23 -27.464 7.451 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -29.650 7.157 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -29.059 5.612 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -28.996 4.664 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -28.889 6.223 -2.680 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -31.141 6.297 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -31.351 6.177 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -31.718 3.882 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -30.641 3.628 -2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -32.320 3.803 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -32.880 5.249 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -33.372 3.754 -2.681 1.00 0.00 H new ATOM 369 N LEU A 24 -26.013 5.533 -3.464 1.00 0.00 N ATOM 370 CA LEU A 24 -25.005 4.513 -3.226 1.00 0.00 C ATOM 371 C LEU A 24 -25.001 4.144 -1.741 1.00 0.00 C ATOM 372 O LEU A 24 -25.669 4.790 -0.935 1.00 0.00 O ATOM 373 CB LEU A 24 -23.643 4.974 -3.749 1.00 0.00 C ATOM 374 CG LEU A 24 -23.079 6.250 -3.120 1.00 0.00 C ATOM 375 CD1 LEU A 24 -21.576 6.370 -3.376 1.00 0.00 C ATOM 376 CD2 LEU A 24 -23.844 7.484 -3.604 1.00 0.00 C ATOM 0 H LEU A 24 -26.319 6.034 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 24 -25.243 3.605 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -22.925 4.169 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -23.722 5.128 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 24 -23.217 6.189 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -21.201 7.285 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -21.063 5.511 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -21.391 6.399 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -23.423 8.377 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -23.760 7.562 -4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -24.894 7.393 -3.327 1.00 0.00 H new ATOM 388 N THR A 25 -24.240 3.107 -1.424 1.00 0.00 N ATOM 389 CA THR A 25 -24.140 2.644 -0.051 1.00 0.00 C ATOM 390 C THR A 25 -22.684 2.677 0.419 1.00 0.00 C ATOM 391 O THR A 25 -21.813 2.073 -0.205 1.00 0.00 O ATOM 392 CB THR A 25 -24.772 1.252 0.026 1.00 0.00 C ATOM 393 OG1 THR A 25 -23.825 0.405 -0.619 1.00 0.00 O ATOM 394 CG2 THR A 25 -26.029 1.131 -0.837 1.00 0.00 C ATOM 0 H THR A 25 -23.687 2.574 -2.095 1.00 0.00 H new ATOM 0 HA THR A 25 -24.683 3.301 0.628 1.00 0.00 H new ATOM 0 HB THR A 25 -25.020 1.023 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 25 -23.064 0.940 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 25 -26.437 0.124 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 25 -26.771 1.855 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 25 -25.775 1.327 -1.879 1.00 0.00 H new ATOM 402 N LEU A 26 -22.465 3.389 1.514 1.00 0.00 N ATOM 403 CA LEU A 26 -21.130 3.509 2.075 1.00 0.00 C ATOM 404 C LEU A 26 -20.470 2.129 2.107 1.00 0.00 C ATOM 405 O LEU A 26 -19.289 1.994 1.787 1.00 0.00 O ATOM 406 CB LEU A 26 -21.182 4.198 3.440 1.00 0.00 C ATOM 407 CG LEU A 26 -21.332 3.277 4.651 1.00 0.00 C ATOM 408 CD1 LEU A 26 -19.983 3.044 5.334 1.00 0.00 C ATOM 409 CD2 LEU A 26 -22.381 3.818 5.625 1.00 0.00 C ATOM 0 H LEU A 26 -23.190 3.889 2.028 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.508 4.146 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -20.271 4.783 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.015 4.901 3.438 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.687 2.308 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.119 2.386 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.293 2.583 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.575 3.998 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -22.468 3.144 6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.079 4.806 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -23.344 3.890 5.120 1.00 0.00 H new ATOM 421 N SER A 27 -21.259 1.139 2.497 1.00 0.00 N ATOM 422 CA SER A 27 -20.766 -0.225 2.576 1.00 0.00 C ATOM 423 C SER A 27 -20.412 -0.735 1.177 1.00 0.00 C ATOM 424 O SER A 27 -19.280 -1.147 0.931 1.00 0.00 O ATOM 425 CB SER A 27 -21.796 -1.146 3.232 1.00 0.00 C ATOM 426 OG SER A 27 -22.373 -0.560 4.395 1.00 0.00 O ATOM 0 H SER A 27 -22.237 1.255 2.762 1.00 0.00 H new ATOM 0 HA SER A 27 -19.869 -0.229 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 27 -22.583 -1.378 2.515 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.320 -2.089 3.500 1.00 0.00 H new ATOM 0 HG SER A 27 -23.235 -0.156 4.164 1.00 0.00 H new ATOM 432 N GLY A 28 -21.402 -0.691 0.298 1.00 0.00 N ATOM 433 CA GLY A 28 -21.210 -1.144 -1.069 1.00 0.00 C ATOM 434 C GLY A 28 -20.017 -0.438 -1.718 1.00 0.00 C ATOM 435 O GLY A 28 -19.302 -1.033 -2.523 1.00 0.00 O ATOM 0 H GLY A 28 -22.340 -0.348 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -21.049 -2.222 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -22.112 -0.951 -1.650 1.00 0.00 H new ATOM 439 N ILE A 29 -19.839 0.820 -1.342 1.00 0.00 N ATOM 440 CA ILE A 29 -18.745 1.613 -1.876 1.00 0.00 C ATOM 441 C ILE A 29 -17.419 1.074 -1.336 1.00 0.00 C ATOM 442 O ILE A 29 -16.463 0.897 -2.090 1.00 0.00 O ATOM 443 CB ILE A 29 -18.969 3.098 -1.587 1.00 0.00 C ATOM 444 CG1 ILE A 29 -19.558 3.812 -2.806 1.00 0.00 C ATOM 445 CG2 ILE A 29 -17.678 3.763 -1.103 1.00 0.00 C ATOM 446 CD1 ILE A 29 -20.813 3.095 -3.307 1.00 0.00 C ATOM 0 H ILE A 29 -20.434 1.310 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 29 -18.706 1.526 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 29 -19.698 3.182 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.802 4.842 -2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.815 3.852 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -17.865 4.818 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -17.339 3.276 -0.189 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -16.910 3.668 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -21.212 3.622 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -20.560 2.073 -3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -21.563 3.078 -2.516 1.00 0.00 H new ATOM 458 N CYS A 30 -17.403 0.828 -0.034 1.00 0.00 N ATOM 459 CA CYS A 30 -16.210 0.313 0.616 1.00 0.00 C ATOM 460 C CYS A 30 -15.751 -0.935 -0.141 1.00 0.00 C ATOM 461 O CYS A 30 -14.553 -1.176 -0.281 1.00 0.00 O ATOM 462 CB CYS A 30 -16.453 0.024 2.098 1.00 0.00 C ATOM 463 SG CYS A 30 -15.214 0.902 3.119 1.00 0.00 S ATOM 0 H CYS A 30 -18.198 0.976 0.588 1.00 0.00 H new ATOM 0 HA CYS A 30 -15.422 1.066 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -17.458 0.341 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -16.394 -1.049 2.282 1.00 0.00 H new ATOM 0 HG CYS A 30 -14.205 0.115 3.350 1.00 0.00 H new ATOM 469 N GLU A 31 -16.729 -1.697 -0.610 1.00 0.00 N ATOM 470 CA GLU A 31 -16.441 -2.914 -1.349 1.00 0.00 C ATOM 471 C GLU A 31 -15.988 -2.577 -2.771 1.00 0.00 C ATOM 472 O GLU A 31 -15.053 -3.186 -3.289 1.00 0.00 O ATOM 473 CB GLU A 31 -17.655 -3.845 -1.366 1.00 0.00 C ATOM 474 CG GLU A 31 -17.305 -5.190 -2.007 1.00 0.00 C ATOM 475 CD GLU A 31 -17.719 -6.353 -1.103 1.00 0.00 C ATOM 476 OE1 GLU A 31 -17.354 -6.300 0.091 1.00 0.00 O ATOM 477 OE2 GLU A 31 -18.390 -7.268 -1.626 1.00 0.00 O ATOM 0 H GLU A 31 -17.722 -1.495 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.629 -3.439 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -18.010 -4.005 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -18.470 -3.376 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.805 -5.278 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.233 -5.238 -2.199 1.00 0.00 H new ATOM 484 N PHE A 32 -16.672 -1.609 -3.362 1.00 0.00 N ATOM 485 CA PHE A 32 -16.352 -1.184 -4.714 1.00 0.00 C ATOM 486 C PHE A 32 -14.912 -0.673 -4.801 1.00 0.00 C ATOM 487 O PHE A 32 -14.278 -0.770 -5.851 1.00 0.00 O ATOM 488 CB PHE A 32 -17.308 -0.041 -5.062 1.00 0.00 C ATOM 489 CG PHE A 32 -16.605 1.251 -5.484 1.00 0.00 C ATOM 490 CD1 PHE A 32 -15.983 1.324 -6.691 1.00 0.00 C ATOM 491 CD2 PHE A 32 -16.602 2.327 -4.651 1.00 0.00 C ATOM 492 CE1 PHE A 32 -15.331 2.523 -7.083 1.00 0.00 C ATOM 493 CE2 PHE A 32 -15.950 3.526 -5.043 1.00 0.00 C ATOM 494 CZ PHE A 32 -15.328 3.599 -6.250 1.00 0.00 C ATOM 0 H PHE A 32 -17.447 -1.106 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 32 -16.454 -2.023 -5.402 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -17.966 -0.364 -5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -17.940 0.166 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -15.985 0.470 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -17.095 2.269 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -14.838 2.581 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -15.948 4.380 -4.382 1.00 0.00 H new ATOM 0 HZ PHE A 32 -14.832 4.511 -6.547 1.00 0.00 H new ATOM 504 N ILE A 33 -14.438 -0.141 -3.685 1.00 0.00 N ATOM 505 CA ILE A 33 -13.085 0.385 -3.622 1.00 0.00 C ATOM 506 C ILE A 33 -12.106 -0.766 -3.377 1.00 0.00 C ATOM 507 O ILE A 33 -11.162 -0.956 -4.142 1.00 0.00 O ATOM 508 CB ILE A 33 -12.992 1.503 -2.582 1.00 0.00 C ATOM 509 CG1 ILE A 33 -13.403 2.848 -3.185 1.00 0.00 C ATOM 510 CG2 ILE A 33 -11.596 1.557 -1.958 1.00 0.00 C ATOM 511 CD1 ILE A 33 -14.125 3.714 -2.152 1.00 0.00 C ATOM 0 H ILE A 33 -14.967 -0.063 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 33 -12.810 0.842 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 33 -13.695 1.282 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -12.520 3.372 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.053 2.682 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.557 2.360 -1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.379 0.607 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.856 1.742 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -14.406 4.664 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.021 3.198 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.463 3.898 -1.306 1.00 0.00 H new ATOM 523 N SER A 34 -12.366 -1.503 -2.307 1.00 0.00 N ATOM 524 CA SER A 34 -11.519 -2.630 -1.951 1.00 0.00 C ATOM 525 C SER A 34 -11.209 -3.464 -3.196 1.00 0.00 C ATOM 526 O SER A 34 -10.126 -4.037 -3.309 1.00 0.00 O ATOM 527 CB SER A 34 -12.181 -3.499 -0.880 1.00 0.00 C ATOM 528 OG SER A 34 -12.962 -4.546 -1.450 1.00 0.00 O ATOM 0 H SER A 34 -13.150 -1.342 -1.675 1.00 0.00 H new ATOM 0 HA SER A 34 -10.587 -2.242 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.413 -3.929 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.815 -2.876 -0.249 1.00 0.00 H new ATOM 0 HG SER A 34 -13.652 -4.161 -2.029 1.00 0.00 H new ATOM 534 N ASN A 35 -12.179 -3.507 -4.097 1.00 0.00 N ATOM 535 CA ASN A 35 -12.023 -4.262 -5.329 1.00 0.00 C ATOM 536 C ASN A 35 -10.922 -3.624 -6.178 1.00 0.00 C ATOM 537 O ASN A 35 -10.042 -4.318 -6.685 1.00 0.00 O ATOM 538 CB ASN A 35 -13.316 -4.254 -6.147 1.00 0.00 C ATOM 539 CG ASN A 35 -14.013 -5.615 -6.085 1.00 0.00 C ATOM 540 OD1 ASN A 35 -13.430 -6.653 -6.355 1.00 0.00 O ATOM 541 ND2 ASN A 35 -15.289 -5.553 -5.715 1.00 0.00 N ATOM 0 H ASN A 35 -13.076 -3.031 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.769 -5.289 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.985 -3.481 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.093 -4.003 -7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.841 -6.408 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.715 -4.651 -5.503 1.00 0.00 H new ATOM 548 N ARG A 36 -11.007 -2.308 -6.306 1.00 0.00 N ATOM 549 CA ARG A 36 -10.028 -1.568 -7.085 1.00 0.00 C ATOM 550 C ARG A 36 -8.657 -1.627 -6.409 1.00 0.00 C ATOM 551 O ARG A 36 -7.682 -2.073 -7.013 1.00 0.00 O ATOM 552 CB ARG A 36 -10.446 -0.105 -7.248 1.00 0.00 C ATOM 553 CG ARG A 36 -11.797 0.004 -7.958 1.00 0.00 C ATOM 554 CD ARG A 36 -11.761 -0.698 -9.317 1.00 0.00 C ATOM 555 NE ARG A 36 -12.993 -0.392 -10.078 1.00 0.00 N ATOM 556 CZ ARG A 36 -13.428 -1.110 -11.122 1.00 0.00 C ATOM 557 NH1 ARG A 36 -12.734 -2.179 -11.536 1.00 0.00 N ATOM 558 NH2 ARG A 36 -14.557 -0.758 -11.753 1.00 0.00 N ATOM 0 H ARG A 36 -11.738 -1.735 -5.884 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.971 -2.030 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.506 0.371 -6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.688 0.432 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.575 -0.439 -7.336 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.057 1.054 -8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.886 -0.373 -9.880 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.668 -1.775 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.545 0.416 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.874 -2.446 -11.056 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.065 -2.726 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.085 0.056 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.889 -1.304 -12.548 1.00 0.00 H new ATOM 572 N PHE A 37 -8.625 -1.171 -5.166 1.00 0.00 N ATOM 573 CA PHE A 37 -7.390 -1.166 -4.402 1.00 0.00 C ATOM 574 C PHE A 37 -7.363 -2.319 -3.396 1.00 0.00 C ATOM 575 O PHE A 37 -8.112 -2.313 -2.420 1.00 0.00 O ATOM 576 CB PHE A 37 -7.339 0.160 -3.641 1.00 0.00 C ATOM 577 CG PHE A 37 -7.952 1.338 -4.401 1.00 0.00 C ATOM 578 CD1 PHE A 37 -9.292 1.564 -4.338 1.00 0.00 C ATOM 579 CD2 PHE A 37 -7.158 2.158 -5.140 1.00 0.00 C ATOM 580 CE1 PHE A 37 -9.861 2.657 -5.044 1.00 0.00 C ATOM 581 CE2 PHE A 37 -7.727 3.250 -5.846 1.00 0.00 C ATOM 582 CZ PHE A 37 -9.067 3.477 -5.783 1.00 0.00 C ATOM 0 H PHE A 37 -9.435 -0.802 -4.669 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.538 -1.283 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.861 0.042 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.300 0.393 -3.407 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.923 0.913 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.094 1.978 -5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.925 2.837 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.096 3.901 -6.433 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.500 4.308 -6.320 1.00 0.00 H new ATOM 592 N PRO A 38 -6.470 -3.305 -3.676 1.00 0.00 N ATOM 593 CA PRO A 38 -6.335 -4.462 -2.807 1.00 0.00 C ATOM 594 C PRO A 38 -5.586 -4.100 -1.523 1.00 0.00 C ATOM 595 O PRO A 38 -6.043 -4.410 -0.424 1.00 0.00 O ATOM 596 CB PRO A 38 -5.610 -5.502 -3.645 1.00 0.00 C ATOM 597 CG PRO A 38 -4.955 -4.736 -4.784 1.00 0.00 C ATOM 598 CD PRO A 38 -5.567 -3.345 -4.822 1.00 0.00 C ATOM 0 HA PRO A 38 -7.297 -4.845 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.865 -6.032 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.305 -6.250 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.877 -4.675 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.116 -5.250 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.801 -2.573 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.104 -3.174 -5.755 1.00 0.00 H new ATOM 606 N TYR A 39 -4.446 -3.449 -1.705 1.00 0.00 N ATOM 607 CA TYR A 39 -3.629 -3.041 -0.575 1.00 0.00 C ATOM 608 C TYR A 39 -4.448 -2.227 0.429 1.00 0.00 C ATOM 609 O TYR A 39 -4.211 -2.301 1.633 1.00 0.00 O ATOM 610 CB TYR A 39 -2.524 -2.153 -1.153 1.00 0.00 C ATOM 611 CG TYR A 39 -3.036 -0.870 -1.809 1.00 0.00 C ATOM 612 CD1 TYR A 39 -3.453 -0.886 -3.124 1.00 0.00 C ATOM 613 CD2 TYR A 39 -3.081 0.305 -1.085 1.00 0.00 C ATOM 614 CE1 TYR A 39 -3.936 0.322 -3.742 1.00 0.00 C ATOM 615 CE2 TYR A 39 -3.563 1.513 -1.703 1.00 0.00 C ATOM 616 CZ TYR A 39 -3.966 1.462 -3.001 1.00 0.00 C ATOM 617 OH TYR A 39 -4.422 2.603 -3.584 1.00 0.00 O ATOM 0 H TYR A 39 -4.069 -3.194 -2.618 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.235 -3.912 -0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.830 -1.889 -0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.960 -2.725 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.417 -1.805 -3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.755 0.318 -0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.267 0.322 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.604 2.439 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.005 3.080 -2.957 1.00 0.00 H new ATOM 627 N TYR A 40 -5.394 -1.469 -0.105 1.00 0.00 N ATOM 628 CA TYR A 40 -6.250 -0.642 0.729 1.00 0.00 C ATOM 629 C TYR A 40 -7.054 -1.499 1.709 1.00 0.00 C ATOM 630 O TYR A 40 -7.228 -1.126 2.868 1.00 0.00 O ATOM 631 CB TYR A 40 -7.216 0.063 -0.225 1.00 0.00 C ATOM 632 CG TYR A 40 -6.829 1.508 -0.546 1.00 0.00 C ATOM 633 CD1 TYR A 40 -5.735 2.082 0.068 1.00 0.00 C ATOM 634 CD2 TYR A 40 -7.575 2.237 -1.450 1.00 0.00 C ATOM 635 CE1 TYR A 40 -5.372 3.443 -0.234 1.00 0.00 C ATOM 636 CE2 TYR A 40 -7.211 3.597 -1.752 1.00 0.00 C ATOM 637 CZ TYR A 40 -6.128 4.133 -1.130 1.00 0.00 C ATOM 638 OH TYR A 40 -5.784 5.417 -1.415 1.00 0.00 O ATOM 0 H TYR A 40 -5.587 -1.410 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.654 0.059 1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.270 -0.503 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.214 0.054 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.151 1.511 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.431 1.788 -1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.519 3.905 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.786 4.178 -2.457 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.411 5.786 -2.072 1.00 0.00 H new ATOM 648 N ARG A 41 -7.524 -2.632 1.207 1.00 0.00 N ATOM 649 CA ARG A 41 -8.306 -3.545 2.023 1.00 0.00 C ATOM 650 C ARG A 41 -7.393 -4.315 2.981 1.00 0.00 C ATOM 651 O ARG A 41 -7.861 -4.889 3.963 1.00 0.00 O ATOM 652 CB ARG A 41 -9.076 -4.540 1.153 1.00 0.00 C ATOM 653 CG ARG A 41 -8.154 -5.647 0.639 1.00 0.00 C ATOM 654 CD ARG A 41 -8.675 -7.027 1.046 1.00 0.00 C ATOM 655 NE ARG A 41 -9.085 -7.788 -0.156 1.00 0.00 N ATOM 656 CZ ARG A 41 -9.895 -8.855 -0.129 1.00 0.00 C ATOM 657 NH1 ARG A 41 -10.386 -9.294 1.037 1.00 0.00 N ATOM 658 NH2 ARG A 41 -10.213 -9.483 -1.269 1.00 0.00 N ATOM 0 H ARG A 41 -7.378 -2.938 0.245 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.020 -2.951 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.890 -4.979 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.528 -4.018 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.079 -5.588 -0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.149 -5.502 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.901 -7.573 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.521 -6.920 1.725 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.729 -7.481 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.143 -8.816 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.003 -10.106 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.838 -9.149 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.830 -10.295 -1.249 1.00 0.00 H new ATOM 672 N GLU A 42 -6.108 -4.302 2.661 1.00 0.00 N ATOM 673 CA GLU A 42 -5.126 -4.992 3.480 1.00 0.00 C ATOM 674 C GLU A 42 -4.906 -4.238 4.793 1.00 0.00 C ATOM 675 O GLU A 42 -4.966 -4.829 5.870 1.00 0.00 O ATOM 676 CB GLU A 42 -3.808 -5.171 2.723 1.00 0.00 C ATOM 677 CG GLU A 42 -3.800 -6.485 1.940 1.00 0.00 C ATOM 678 CD GLU A 42 -3.793 -7.688 2.886 1.00 0.00 C ATOM 679 OE1 GLU A 42 -4.904 -8.132 3.247 1.00 0.00 O ATOM 680 OE2 GLU A 42 -2.677 -8.135 3.227 1.00 0.00 O ATOM 0 H GLU A 42 -5.724 -3.825 1.846 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.510 -5.985 3.714 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.661 -4.335 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.976 -5.158 3.427 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.676 -6.532 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.923 -6.522 1.293 1.00 0.00 H new ATOM 687 N LYS A 43 -4.655 -2.944 4.660 1.00 0.00 N ATOM 688 CA LYS A 43 -4.426 -2.103 5.822 1.00 0.00 C ATOM 689 C LYS A 43 -5.764 -1.799 6.499 1.00 0.00 C ATOM 690 O LYS A 43 -5.906 -1.971 7.708 1.00 0.00 O ATOM 691 CB LYS A 43 -3.636 -0.852 5.431 1.00 0.00 C ATOM 692 CG LYS A 43 -2.189 -0.941 5.922 1.00 0.00 C ATOM 693 CD LYS A 43 -1.864 0.205 6.881 1.00 0.00 C ATOM 694 CE LYS A 43 -0.807 1.136 6.283 1.00 0.00 C ATOM 695 NZ LYS A 43 -1.451 2.247 5.547 1.00 0.00 N ATOM 0 H LYS A 43 -4.605 -2.457 3.765 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.810 -2.625 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.649 -0.733 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.114 0.031 5.855 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.029 -1.896 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.510 -0.911 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.770 0.770 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.505 -0.199 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.175 1.536 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.158 0.575 5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.719 2.869 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.035 1.861 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.052 2.792 6.198 1.00 0.00 H new ATOM 709 N PHE A 44 -6.712 -1.351 5.688 1.00 0.00 N ATOM 710 CA PHE A 44 -8.034 -1.022 6.193 1.00 0.00 C ATOM 711 C PHE A 44 -8.016 -0.865 7.715 1.00 0.00 C ATOM 712 O PHE A 44 -8.654 -1.636 8.430 1.00 0.00 O ATOM 713 CB PHE A 44 -8.957 -2.184 5.823 1.00 0.00 C ATOM 714 CG PHE A 44 -10.405 -1.769 5.558 1.00 0.00 C ATOM 715 CD1 PHE A 44 -11.291 -1.698 6.587 1.00 0.00 C ATOM 716 CD2 PHE A 44 -10.807 -1.471 4.293 1.00 0.00 C ATOM 717 CE1 PHE A 44 -12.636 -1.312 6.341 1.00 0.00 C ATOM 718 CE2 PHE A 44 -12.151 -1.085 4.047 1.00 0.00 C ATOM 719 CZ PHE A 44 -13.037 -1.014 5.077 1.00 0.00 C ATOM 0 H PHE A 44 -6.591 -1.208 4.685 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.373 -0.080 5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.563 -2.678 4.935 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.942 -2.917 6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.972 -1.935 7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.104 -1.528 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -13.340 -1.255 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -12.470 -0.848 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.059 -0.721 4.890 1.00 0.00 H new ATOM 729 N PRO A 45 -7.259 0.166 8.178 1.00 0.00 N ATOM 730 CA PRO A 45 -7.150 0.434 9.601 1.00 0.00 C ATOM 731 C PRO A 45 -8.426 1.087 10.136 1.00 0.00 C ATOM 732 O PRO A 45 -8.653 1.116 11.344 1.00 0.00 O ATOM 733 CB PRO A 45 -5.925 1.323 9.741 1.00 0.00 C ATOM 734 CG PRO A 45 -5.667 1.898 8.358 1.00 0.00 C ATOM 735 CD PRO A 45 -6.489 1.100 7.360 1.00 0.00 C ATOM 0 HA PRO A 45 -7.037 -0.475 10.192 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.099 2.117 10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.066 0.752 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.944 2.952 8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.607 1.840 8.112 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.143 1.748 6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.850 0.573 6.652 1.00 0.00 H new ATOM 743 N ALA A 46 -9.226 1.594 9.209 1.00 0.00 N ATOM 744 CA ALA A 46 -10.473 2.244 9.572 1.00 0.00 C ATOM 745 C ALA A 46 -11.054 2.946 8.343 1.00 0.00 C ATOM 746 O ALA A 46 -11.280 4.155 8.363 1.00 0.00 O ATOM 747 CB ALA A 46 -10.227 3.210 10.733 1.00 0.00 C ATOM 0 H ALA A 46 -9.034 1.568 8.208 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.204 1.509 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.163 3.698 11.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.843 2.658 11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.500 3.964 10.431 1.00 0.00 H new ATOM 753 N TRP A 47 -11.279 2.158 7.302 1.00 0.00 N ATOM 754 CA TRP A 47 -11.829 2.688 6.066 1.00 0.00 C ATOM 755 C TRP A 47 -13.330 2.900 6.270 1.00 0.00 C ATOM 756 O TRP A 47 -14.047 3.230 5.326 1.00 0.00 O ATOM 757 CB TRP A 47 -11.509 1.770 4.885 1.00 0.00 C ATOM 758 CG TRP A 47 -10.237 2.154 4.125 1.00 0.00 C ATOM 759 CD1 TRP A 47 -8.967 2.065 4.544 1.00 0.00 C ATOM 760 CD2 TRP A 47 -10.164 2.693 2.789 1.00 0.00 C ATOM 761 NE1 TRP A 47 -8.085 2.506 3.579 1.00 0.00 N ATOM 762 CE2 TRP A 47 -8.836 2.900 2.478 1.00 0.00 C ATOM 763 CE3 TRP A 47 -11.187 2.996 1.873 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -8.408 3.419 1.250 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -10.742 3.513 0.650 1.00 0.00 C ATOM 766 CH2 TRP A 47 -9.409 3.728 0.322 1.00 0.00 C ATOM 0 H TRP A 47 -11.090 1.156 7.289 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.372 3.647 5.820 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -11.407 0.748 5.250 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -12.351 1.779 4.192 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.671 1.695 5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.069 2.537 3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -12.233 2.842 2.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.362 3.573 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -11.488 3.762 -0.091 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -9.147 4.132 -0.645 1.00 0.00 H new ATOM 777 N GLN A 48 -13.761 2.701 7.507 1.00 0.00 N ATOM 778 CA GLN A 48 -15.165 2.866 7.846 1.00 0.00 C ATOM 779 C GLN A 48 -15.503 4.351 7.996 1.00 0.00 C ATOM 780 O GLN A 48 -16.120 4.943 7.112 1.00 0.00 O ATOM 781 CB GLN A 48 -15.516 2.092 9.117 1.00 0.00 C ATOM 782 CG GLN A 48 -16.914 2.463 9.617 1.00 0.00 C ATOM 783 CD GLN A 48 -16.892 2.796 11.110 1.00 0.00 C ATOM 784 OE1 GLN A 48 -16.494 3.871 11.527 1.00 0.00 O ATOM 785 NE2 GLN A 48 -17.341 1.816 11.889 1.00 0.00 N ATOM 0 H GLN A 48 -13.163 2.427 8.287 1.00 0.00 H new ATOM 0 HA GLN A 48 -15.766 2.457 7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -15.469 1.021 8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.780 2.306 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -17.290 3.318 9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -17.600 1.636 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -17.660 0.940 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.367 1.940 12.901 1.00 0.00 H new ATOM 794 N ASN A 49 -15.085 4.909 9.122 1.00 0.00 N ATOM 795 CA ASN A 49 -15.337 6.313 9.400 1.00 0.00 C ATOM 796 C ASN A 49 -14.397 7.172 8.553 1.00 0.00 C ATOM 797 O ASN A 49 -14.718 8.314 8.226 1.00 0.00 O ATOM 798 CB ASN A 49 -15.077 6.638 10.872 1.00 0.00 C ATOM 799 CG ASN A 49 -13.602 6.440 11.225 1.00 0.00 C ATOM 800 OD1 ASN A 49 -12.709 6.995 10.606 1.00 0.00 O ATOM 801 ND2 ASN A 49 -13.397 5.621 12.253 1.00 0.00 N ATOM 0 H ASN A 49 -14.573 4.415 9.853 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.380 6.522 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.369 7.668 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.695 6.000 11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.447 5.425 12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.190 5.189 12.727 1.00 0.00 H new ATOM 808 N SER A 50 -13.253 6.591 8.221 1.00 0.00 N ATOM 809 CA SER A 50 -12.264 7.289 7.418 1.00 0.00 C ATOM 810 C SER A 50 -12.914 7.834 6.144 1.00 0.00 C ATOM 811 O SER A 50 -12.881 9.037 5.892 1.00 0.00 O ATOM 812 CB SER A 50 -11.093 6.370 7.065 1.00 0.00 C ATOM 813 OG SER A 50 -10.235 6.950 6.086 1.00 0.00 O ATOM 0 H SER A 50 -12.989 5.644 8.494 1.00 0.00 H new ATOM 0 HA SER A 50 -11.874 8.121 8.004 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.519 6.151 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.477 5.420 6.693 1.00 0.00 H new ATOM 0 HG SER A 50 -10.588 6.765 5.191 1.00 0.00 H new ATOM 819 N ILE A 51 -13.489 6.921 5.375 1.00 0.00 N ATOM 820 CA ILE A 51 -14.145 7.295 4.133 1.00 0.00 C ATOM 821 C ILE A 51 -15.450 8.028 4.452 1.00 0.00 C ATOM 822 O ILE A 51 -15.727 9.085 3.886 1.00 0.00 O ATOM 823 CB ILE A 51 -14.332 6.071 3.236 1.00 0.00 C ATOM 824 CG1 ILE A 51 -15.581 5.283 3.635 1.00 0.00 C ATOM 825 CG2 ILE A 51 -13.077 5.195 3.236 1.00 0.00 C ATOM 826 CD1 ILE A 51 -16.022 4.346 2.509 1.00 0.00 C ATOM 0 H ILE A 51 -13.514 5.924 5.588 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.521 7.985 3.565 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.484 6.417 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.377 4.704 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -16.389 5.973 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.236 4.331 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.230 5.773 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.870 4.856 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.912 3.798 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.248 4.930 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.221 3.641 2.287 1.00 0.00 H new ATOM 838 N ARG A 52 -16.217 7.439 5.357 1.00 0.00 N ATOM 839 CA ARG A 52 -17.486 8.022 5.758 1.00 0.00 C ATOM 840 C ARG A 52 -17.311 9.510 6.069 1.00 0.00 C ATOM 841 O ARG A 52 -18.201 10.314 5.796 1.00 0.00 O ATOM 842 CB ARG A 52 -18.053 7.315 6.990 1.00 0.00 C ATOM 843 CG ARG A 52 -19.212 6.392 6.607 1.00 0.00 C ATOM 844 CD ARG A 52 -20.242 6.308 7.736 1.00 0.00 C ATOM 845 NE ARG A 52 -20.410 4.901 8.163 1.00 0.00 N ATOM 846 CZ ARG A 52 -19.723 4.332 9.163 1.00 0.00 C ATOM 847 NH1 ARG A 52 -18.817 5.046 9.845 1.00 0.00 N ATOM 848 NH2 ARG A 52 -19.942 3.049 9.481 1.00 0.00 N ATOM 0 H ARG A 52 -15.984 6.563 5.825 1.00 0.00 H new ATOM 0 HA ARG A 52 -18.184 7.899 4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.267 6.736 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -18.396 8.055 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -19.691 6.761 5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -18.830 5.396 6.384 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -19.919 6.917 8.580 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -21.197 6.711 7.399 1.00 0.00 H new ATOM 0 HE ARG A 52 -21.091 4.328 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.650 6.023 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.294 4.613 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.632 2.505 8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.419 2.616 10.242 1.00 0.00 H new ATOM 862 N HIS A 53 -16.157 9.832 6.635 1.00 0.00 N ATOM 863 CA HIS A 53 -15.854 11.210 6.985 1.00 0.00 C ATOM 864 C HIS A 53 -15.570 12.012 5.714 1.00 0.00 C ATOM 865 O HIS A 53 -16.202 13.039 5.469 1.00 0.00 O ATOM 866 CB HIS A 53 -14.707 11.273 7.995 1.00 0.00 C ATOM 867 CG HIS A 53 -13.916 12.559 7.946 1.00 0.00 C ATOM 868 ND1 HIS A 53 -14.048 13.557 8.895 1.00 0.00 N ATOM 869 CD2 HIS A 53 -12.982 12.997 7.053 1.00 0.00 C ATOM 870 CE1 HIS A 53 -13.227 14.548 8.577 1.00 0.00 C ATOM 871 NE2 HIS A 53 -12.568 14.199 7.435 1.00 0.00 N ATOM 0 H HIS A 53 -15.421 9.163 6.860 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.717 11.664 7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.113 11.146 8.999 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.032 10.436 7.816 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.638 12.457 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.102 15.470 9.126 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.872 14.768 6.954 1.00 0.00 H new ATOM 879 N ASN A 54 -14.619 11.514 4.938 1.00 0.00 N ATOM 880 CA ASN A 54 -14.244 12.171 3.698 1.00 0.00 C ATOM 881 C ASN A 54 -15.421 12.120 2.722 1.00 0.00 C ATOM 882 O ASN A 54 -15.403 12.784 1.687 1.00 0.00 O ATOM 883 CB ASN A 54 -13.053 11.470 3.041 1.00 0.00 C ATOM 884 CG ASN A 54 -11.730 12.055 3.537 1.00 0.00 C ATOM 885 OD1 ASN A 54 -11.096 11.541 4.444 1.00 0.00 O ATOM 886 ND2 ASN A 54 -11.349 13.155 2.894 1.00 0.00 N ATOM 0 H ASN A 54 -14.097 10.663 5.144 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.972 13.201 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.088 10.403 3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.117 11.574 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -10.479 13.621 3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.927 13.533 2.143 1.00 0.00 H new ATOM 893 N LEU A 55 -16.416 11.324 3.086 1.00 0.00 N ATOM 894 CA LEU A 55 -17.599 11.177 2.255 1.00 0.00 C ATOM 895 C LEU A 55 -18.561 12.332 2.537 1.00 0.00 C ATOM 896 O LEU A 55 -18.897 13.100 1.636 1.00 0.00 O ATOM 897 CB LEU A 55 -18.223 9.794 2.451 1.00 0.00 C ATOM 898 CG LEU A 55 -18.449 8.973 1.180 1.00 0.00 C ATOM 899 CD1 LEU A 55 -19.118 7.636 1.503 1.00 0.00 C ATOM 900 CD2 LEU A 55 -19.238 9.775 0.143 1.00 0.00 C ATOM 0 H LEU A 55 -16.427 10.774 3.945 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.333 11.234 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.583 9.220 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.182 9.918 2.955 1.00 0.00 H new ATOM 0 HG LEU A 55 -17.477 8.748 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -19.267 7.072 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.482 7.065 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.082 7.817 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -19.385 9.169 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.207 10.051 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.684 10.677 -0.117 1.00 0.00 H new ATOM 912 N SER A 56 -18.979 12.420 3.791 1.00 0.00 N ATOM 913 CA SER A 56 -19.896 13.468 4.203 1.00 0.00 C ATOM 914 C SER A 56 -19.149 14.797 4.330 1.00 0.00 C ATOM 915 O SER A 56 -19.580 15.811 3.782 1.00 0.00 O ATOM 916 CB SER A 56 -20.579 13.114 5.526 1.00 0.00 C ATOM 917 OG SER A 56 -21.156 14.257 6.152 1.00 0.00 O ATOM 0 H SER A 56 -18.699 11.782 4.536 1.00 0.00 H new ATOM 0 HA SER A 56 -20.669 13.565 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.354 12.369 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.852 12.660 6.199 1.00 0.00 H new ATOM 0 HG SER A 56 -21.583 13.989 6.992 1.00 0.00 H new ATOM 923 N LEU A 57 -18.042 14.750 5.056 1.00 0.00 N ATOM 924 CA LEU A 57 -17.231 15.938 5.262 1.00 0.00 C ATOM 925 C LEU A 57 -16.464 16.256 3.977 1.00 0.00 C ATOM 926 O LEU A 57 -15.278 15.951 3.866 1.00 0.00 O ATOM 927 CB LEU A 57 -16.332 15.767 6.488 1.00 0.00 C ATOM 928 CG LEU A 57 -17.049 15.644 7.834 1.00 0.00 C ATOM 929 CD1 LEU A 57 -17.245 14.176 8.219 1.00 0.00 C ATOM 930 CD2 LEU A 57 -16.312 16.429 8.922 1.00 0.00 C ATOM 0 H LEU A 57 -17.687 13.908 5.509 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.864 16.799 5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.719 14.878 6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -15.653 16.618 6.537 1.00 0.00 H new ATOM 0 HG LEU A 57 -18.041 16.086 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.757 14.117 9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.844 13.677 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.274 13.687 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.843 16.325 9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.299 16.040 9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -16.268 17.482 8.645 1.00 0.00 H new ATOM 942 N ASN A 58 -17.174 16.864 3.038 1.00 0.00 N ATOM 943 CA ASN A 58 -16.575 17.226 1.764 1.00 0.00 C ATOM 944 C ASN A 58 -17.675 17.369 0.711 1.00 0.00 C ATOM 945 O ASN A 58 -17.754 18.388 0.025 1.00 0.00 O ATOM 946 CB ASN A 58 -15.601 16.147 1.287 1.00 0.00 C ATOM 947 CG ASN A 58 -14.164 16.489 1.687 1.00 0.00 C ATOM 948 OD1 ASN A 58 -13.458 15.703 2.296 1.00 0.00 O ATOM 949 ND2 ASN A 58 -13.773 17.704 1.313 1.00 0.00 N ATOM 0 H ASN A 58 -18.158 17.115 3.134 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.036 18.164 1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -15.882 15.184 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.666 16.046 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.831 18.027 1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.415 18.312 0.805 1.00 0.00 H new ATOM 956 N ASP A 59 -18.497 16.334 0.615 1.00 0.00 N ATOM 957 CA ASP A 59 -19.589 16.332 -0.344 1.00 0.00 C ATOM 958 C ASP A 59 -20.689 17.279 0.141 1.00 0.00 C ATOM 959 O ASP A 59 -21.011 18.257 -0.532 1.00 0.00 O ATOM 960 CB ASP A 59 -20.196 14.935 -0.484 1.00 0.00 C ATOM 961 CG ASP A 59 -19.432 13.989 -1.414 1.00 0.00 C ATOM 962 OD1 ASP A 59 -18.218 13.814 -1.173 1.00 0.00 O ATOM 963 OD2 ASP A 59 -20.080 13.462 -2.343 1.00 0.00 O ATOM 0 H ASP A 59 -18.429 15.491 1.185 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.192 16.651 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.255 14.480 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.218 15.034 -0.850 1.00 0.00 H new ATOM 968 N CYS A 60 -21.234 16.955 1.304 1.00 0.00 N ATOM 969 CA CYS A 60 -22.291 17.764 1.886 1.00 0.00 C ATOM 970 C CYS A 60 -23.637 17.187 1.444 1.00 0.00 C ATOM 971 O CYS A 60 -24.486 17.909 0.923 1.00 0.00 O ATOM 972 CB CYS A 60 -22.150 19.239 1.504 1.00 0.00 C ATOM 973 SG CYS A 60 -22.736 20.300 2.875 1.00 0.00 S ATOM 0 H CYS A 60 -20.963 16.143 1.859 1.00 0.00 H new ATOM 0 HA CYS A 60 -22.221 17.729 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -21.108 19.466 1.277 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -22.725 19.446 0.602 1.00 0.00 H new ATOM 0 HG CYS A 60 -22.610 21.550 2.541 1.00 0.00 H new ATOM 979 N PHE A 61 -23.791 15.890 1.669 1.00 0.00 N ATOM 980 CA PHE A 61 -25.019 15.207 1.300 1.00 0.00 C ATOM 981 C PHE A 61 -25.671 14.554 2.521 1.00 0.00 C ATOM 982 O PHE A 61 -25.268 14.809 3.655 1.00 0.00 O ATOM 983 CB PHE A 61 -24.641 14.118 0.294 1.00 0.00 C ATOM 984 CG PHE A 61 -23.424 13.288 0.704 1.00 0.00 C ATOM 985 CD1 PHE A 61 -23.340 12.778 1.963 1.00 0.00 C ATOM 986 CD2 PHE A 61 -22.424 13.059 -0.189 1.00 0.00 C ATOM 987 CE1 PHE A 61 -22.210 12.008 2.344 1.00 0.00 C ATOM 988 CE2 PHE A 61 -21.294 12.288 0.192 1.00 0.00 C ATOM 989 CZ PHE A 61 -21.211 11.779 1.450 1.00 0.00 C ATOM 0 H PHE A 61 -23.085 15.294 2.102 1.00 0.00 H new ATOM 0 HA PHE A 61 -25.729 15.919 0.880 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -25.493 13.452 0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -24.442 14.583 -0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -24.134 12.959 2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -22.489 13.464 -1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -22.144 11.604 3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -20.500 12.106 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 61 -20.351 11.193 1.739 1.00 0.00 H new ATOM 999 N VAL A 62 -26.666 13.723 2.247 1.00 0.00 N ATOM 1000 CA VAL A 62 -27.377 13.031 3.308 1.00 0.00 C ATOM 1001 C VAL A 62 -27.242 11.520 3.106 1.00 0.00 C ATOM 1002 O VAL A 62 -27.181 11.045 1.973 1.00 0.00 O ATOM 1003 CB VAL A 62 -28.832 13.500 3.356 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -28.914 15.027 3.411 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -29.625 12.951 2.168 1.00 0.00 C ATOM 0 H VAL A 62 -26.997 13.513 1.305 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.941 13.269 4.278 1.00 0.00 H new ATOM 0 HB VAL A 62 -29.281 13.107 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -29.959 15.334 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -28.401 15.387 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -28.440 15.449 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -30.656 13.300 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -29.176 13.300 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -29.608 11.861 2.192 1.00 0.00 H new ATOM 1015 N LYS A 63 -27.200 10.807 4.222 1.00 0.00 N ATOM 1016 CA LYS A 63 -27.074 9.360 4.181 1.00 0.00 C ATOM 1017 C LYS A 63 -28.201 8.731 5.002 1.00 0.00 C ATOM 1018 O LYS A 63 -29.040 9.440 5.557 1.00 0.00 O ATOM 1019 CB LYS A 63 -25.675 8.932 4.627 1.00 0.00 C ATOM 1020 CG LYS A 63 -24.675 10.079 4.473 1.00 0.00 C ATOM 1021 CD LYS A 63 -24.559 10.884 5.770 1.00 0.00 C ATOM 1022 CE LYS A 63 -23.407 10.368 6.634 1.00 0.00 C ATOM 1023 NZ LYS A 63 -22.924 11.433 7.542 1.00 0.00 N ATOM 0 H LYS A 63 -27.251 11.204 5.160 1.00 0.00 H new ATOM 0 HA LYS A 63 -27.183 8.996 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -25.704 8.608 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -25.347 8.077 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.698 9.680 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.990 10.734 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.400 11.937 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.494 10.819 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.738 9.508 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -22.591 10.027 5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.904 11.314 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.100 12.363 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.429 11.371 8.449 1.00 0.00 H new ATOM 1037 N ILE A 64 -28.185 7.407 5.054 1.00 0.00 N ATOM 1038 CA ILE A 64 -29.195 6.675 5.798 1.00 0.00 C ATOM 1039 C ILE A 64 -28.518 5.858 6.900 1.00 0.00 C ATOM 1040 O ILE A 64 -27.691 4.992 6.618 1.00 0.00 O ATOM 1041 CB ILE A 64 -30.055 5.836 4.851 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -31.369 6.549 4.526 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -30.288 4.434 5.419 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -32.261 5.678 3.639 1.00 0.00 C ATOM 0 H ILE A 64 -27.488 6.822 4.593 1.00 0.00 H new ATOM 0 HA ILE A 64 -29.882 7.365 6.288 1.00 0.00 H new ATOM 0 HB ILE A 64 -29.513 5.717 3.913 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -31.894 6.790 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -31.160 7.493 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -30.902 3.858 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -29.330 3.933 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -30.798 4.511 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -33.188 6.208 3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -31.743 5.459 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -32.488 4.746 4.156 1.00 0.00 H new ATOM 1056 N PRO A 65 -28.904 6.170 8.166 1.00 0.00 N ATOM 1057 CA PRO A 65 -28.344 5.475 9.313 1.00 0.00 C ATOM 1058 C PRO A 65 -28.932 4.068 9.443 1.00 0.00 C ATOM 1059 O PRO A 65 -29.774 3.667 8.640 1.00 0.00 O ATOM 1060 CB PRO A 65 -28.659 6.363 10.505 1.00 0.00 C ATOM 1061 CG PRO A 65 -29.781 7.284 10.053 1.00 0.00 C ATOM 1062 CD PRO A 65 -29.881 7.189 8.539 1.00 0.00 C ATOM 0 HA PRO A 65 -27.269 5.317 9.225 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -28.965 5.768 11.365 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -27.782 6.935 10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -30.724 6.993 10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -29.579 8.311 10.359 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -30.886 6.907 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -29.656 8.145 8.067 1.00 0.00 H new ATOM 1070 N ARG A 66 -28.467 3.358 10.460 1.00 0.00 N ATOM 1071 CA ARG A 66 -28.937 2.006 10.705 1.00 0.00 C ATOM 1072 C ARG A 66 -30.442 1.911 10.445 1.00 0.00 C ATOM 1073 O ARG A 66 -31.247 2.294 11.292 1.00 0.00 O ATOM 1074 CB ARG A 66 -28.647 1.574 12.144 1.00 0.00 C ATOM 1075 CG ARG A 66 -28.527 0.053 12.247 1.00 0.00 C ATOM 1076 CD ARG A 66 -29.906 -0.599 12.372 1.00 0.00 C ATOM 1077 NE ARG A 66 -29.887 -1.944 11.755 1.00 0.00 N ATOM 1078 CZ ARG A 66 -29.529 -3.062 12.401 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -29.157 -3.003 13.687 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -29.543 -4.239 11.761 1.00 0.00 N ATOM 0 H ARG A 66 -27.769 3.694 11.124 1.00 0.00 H new ATOM 0 HA ARG A 66 -28.405 1.342 10.024 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -27.723 2.039 12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -29.444 1.925 12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -28.016 -0.335 11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -27.917 -0.210 13.111 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -30.187 -0.675 13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -30.657 0.023 11.885 1.00 0.00 H new ATOM 0 HE ARG A 66 -30.164 -2.025 10.777 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -29.146 -2.107 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -28.885 -3.854 14.179 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -29.826 -4.284 10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -29.270 -5.090 12.253 1.00 0.00 H new ATOM 1094 N GLU A 67 -30.776 1.398 9.270 1.00 0.00 N ATOM 1095 CA GLU A 67 -32.169 1.248 8.888 1.00 0.00 C ATOM 1096 C GLU A 67 -32.468 -0.209 8.530 1.00 0.00 C ATOM 1097 O GLU A 67 -31.551 -0.994 8.295 1.00 0.00 O ATOM 1098 CB GLU A 67 -32.523 2.181 7.728 1.00 0.00 C ATOM 1099 CG GLU A 67 -33.621 3.167 8.133 1.00 0.00 C ATOM 1100 CD GLU A 67 -33.077 4.595 8.203 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -33.130 5.275 7.156 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -32.620 4.975 9.303 1.00 0.00 O ATOM 0 H GLU A 67 -30.105 1.081 8.570 1.00 0.00 H new ATOM 0 HA GLU A 67 -32.790 1.527 9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -31.635 2.729 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -32.855 1.593 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -34.439 3.121 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -34.031 2.882 9.102 1.00 0.00 H new ATOM 1109 N PRO A 68 -33.788 -0.534 8.499 1.00 0.00 N ATOM 1110 CA PRO A 68 -34.219 -1.883 8.174 1.00 0.00 C ATOM 1111 C PRO A 68 -34.081 -2.157 6.675 1.00 0.00 C ATOM 1112 O PRO A 68 -35.058 -2.497 6.010 1.00 0.00 O ATOM 1113 CB PRO A 68 -35.656 -1.966 8.663 1.00 0.00 C ATOM 1114 CG PRO A 68 -36.126 -0.529 8.820 1.00 0.00 C ATOM 1115 CD PRO A 68 -34.901 0.370 8.772 1.00 0.00 C ATOM 0 HA PRO A 68 -33.605 -2.647 8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -36.280 -2.506 7.951 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -35.716 -2.502 9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -36.824 -0.266 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -36.656 -0.402 9.764 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -34.996 1.127 7.994 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -34.760 0.898 9.715 1.00 0.00 H new ATOM 1123 N GLY A 69 -32.860 -1.997 6.186 1.00 0.00 N ATOM 1124 CA GLY A 69 -32.581 -2.222 4.778 1.00 0.00 C ATOM 1125 C GLY A 69 -32.124 -3.662 4.533 1.00 0.00 C ATOM 1126 O GLY A 69 -32.890 -4.484 4.033 1.00 0.00 O ATOM 0 H GLY A 69 -32.052 -1.714 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -33.474 -2.015 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -31.810 -1.530 4.441 1.00 0.00 H new ATOM 1130 N ASN A 70 -30.877 -3.922 4.896 1.00 0.00 N ATOM 1131 CA ASN A 70 -30.308 -5.248 4.722 1.00 0.00 C ATOM 1132 C ASN A 70 -29.538 -5.638 5.985 1.00 0.00 C ATOM 1133 O ASN A 70 -28.840 -4.811 6.571 1.00 0.00 O ATOM 1134 CB ASN A 70 -29.332 -5.278 3.544 1.00 0.00 C ATOM 1135 CG ASN A 70 -29.940 -4.608 2.311 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -30.127 -5.216 1.270 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -30.237 -3.323 2.485 1.00 0.00 N ATOM 0 H ASN A 70 -30.244 -3.237 5.310 1.00 0.00 H new ATOM 0 HA ASN A 70 -31.125 -5.943 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.408 -4.770 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -29.071 -6.310 3.310 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -30.647 -2.786 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -30.055 -2.874 3.383 1.00 0.00 H new ATOM 1144 N PRO A 71 -29.693 -6.931 6.377 1.00 0.00 N ATOM 1145 CA PRO A 71 -29.021 -7.440 7.560 1.00 0.00 C ATOM 1146 C PRO A 71 -27.532 -7.666 7.289 1.00 0.00 C ATOM 1147 O PRO A 71 -27.153 -8.655 6.665 1.00 0.00 O ATOM 1148 CB PRO A 71 -29.760 -8.720 7.913 1.00 0.00 C ATOM 1149 CG PRO A 71 -30.515 -9.125 6.657 1.00 0.00 C ATOM 1150 CD PRO A 71 -30.511 -7.938 5.708 1.00 0.00 C ATOM 0 HA PRO A 71 -29.047 -6.738 8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -29.064 -9.501 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -30.445 -8.559 8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -30.043 -9.989 6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -31.537 -9.414 6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -30.092 -8.208 4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -31.522 -7.571 5.528 1.00 0.00 H new ATOM 1158 N GLY A 72 -26.727 -6.731 7.773 1.00 0.00 N ATOM 1159 CA GLY A 72 -25.288 -6.815 7.591 1.00 0.00 C ATOM 1160 C GLY A 72 -24.687 -5.433 7.323 1.00 0.00 C ATOM 1161 O GLY A 72 -24.146 -4.801 8.229 1.00 0.00 O ATOM 0 H GLY A 72 -27.044 -5.912 8.291 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.830 -7.248 8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.061 -7.482 6.759 1.00 0.00 H new ATOM 1165 N LYS A 73 -24.803 -5.005 6.074 1.00 0.00 N ATOM 1166 CA LYS A 73 -24.279 -3.710 5.676 1.00 0.00 C ATOM 1167 C LYS A 73 -25.256 -3.046 4.704 1.00 0.00 C ATOM 1168 O LYS A 73 -24.868 -2.634 3.612 1.00 0.00 O ATOM 1169 CB LYS A 73 -22.861 -3.854 5.119 1.00 0.00 C ATOM 1170 CG LYS A 73 -22.868 -4.615 3.792 1.00 0.00 C ATOM 1171 CD LYS A 73 -21.825 -5.734 3.795 1.00 0.00 C ATOM 1172 CE LYS A 73 -21.084 -5.798 2.458 1.00 0.00 C ATOM 1173 NZ LYS A 73 -20.652 -7.184 2.171 1.00 0.00 N ATOM 0 H LYS A 73 -25.252 -5.532 5.325 1.00 0.00 H new ATOM 0 HA LYS A 73 -24.192 -3.052 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -22.421 -2.867 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -22.235 -4.379 5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -23.858 -5.036 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -22.664 -3.926 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.112 -5.569 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -22.312 -6.689 3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.733 -5.440 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.217 -5.138 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.151 -7.210 1.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.016 -7.513 2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -21.485 -7.805 2.125 1.00 0.00 H new ATOM 1187 N GLY A 74 -26.506 -2.962 5.136 1.00 0.00 N ATOM 1188 CA GLY A 74 -27.542 -2.355 4.318 1.00 0.00 C ATOM 1189 C GLY A 74 -27.745 -0.886 4.693 1.00 0.00 C ATOM 1190 O GLY A 74 -28.103 -0.574 5.828 1.00 0.00 O ATOM 0 H GLY A 74 -26.825 -3.304 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -27.271 -2.431 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -28.477 -2.900 4.446 1.00 0.00 H new ATOM 1194 N ASN A 75 -27.508 -0.021 3.717 1.00 0.00 N ATOM 1195 CA ASN A 75 -27.661 1.408 3.930 1.00 0.00 C ATOM 1196 C ASN A 75 -27.698 2.120 2.576 1.00 0.00 C ATOM 1197 O ASN A 75 -27.289 1.555 1.563 1.00 0.00 O ATOM 1198 CB ASN A 75 -26.486 1.975 4.730 1.00 0.00 C ATOM 1199 CG ASN A 75 -25.151 1.586 4.092 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -24.734 0.439 4.113 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -24.505 2.601 3.526 1.00 0.00 N ATOM 0 H ASN A 75 -27.211 -0.283 2.777 1.00 0.00 H new ATOM 0 HA ASN A 75 -28.586 1.569 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -26.566 3.061 4.781 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -26.526 1.604 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -23.604 2.444 3.074 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -24.910 3.537 3.544 1.00 0.00 H new ATOM 1208 N TYR A 76 -28.192 3.349 2.603 1.00 0.00 N ATOM 1209 CA TYR A 76 -28.289 4.144 1.390 1.00 0.00 C ATOM 1210 C TYR A 76 -27.678 5.532 1.595 1.00 0.00 C ATOM 1211 O TYR A 76 -27.719 6.075 2.697 1.00 0.00 O ATOM 1212 CB TYR A 76 -29.784 4.295 1.103 1.00 0.00 C ATOM 1213 CG TYR A 76 -30.560 2.977 1.135 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -31.019 2.476 2.336 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -30.801 2.289 -0.037 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -31.749 1.235 2.367 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -31.531 1.048 -0.006 1.00 0.00 C ATOM 1218 CZ TYR A 76 -31.970 0.583 1.194 1.00 0.00 C ATOM 1219 OH TYR A 76 -32.660 -0.589 1.223 1.00 0.00 O ATOM 0 H TYR A 76 -28.530 3.814 3.446 1.00 0.00 H new ATOM 0 HA TYR A 76 -27.753 3.663 0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -30.217 4.977 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -29.911 4.756 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -30.831 3.015 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -30.442 2.681 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -32.113 0.831 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -31.725 0.499 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 76 -32.743 -0.942 0.313 1.00 0.00 H new ATOM 1229 N TRP A 77 -27.126 6.065 0.515 1.00 0.00 N ATOM 1230 CA TRP A 77 -26.508 7.379 0.562 1.00 0.00 C ATOM 1231 C TRP A 77 -26.984 8.169 -0.659 1.00 0.00 C ATOM 1232 O TRP A 77 -26.913 7.681 -1.785 1.00 0.00 O ATOM 1233 CB TRP A 77 -24.984 7.265 0.643 1.00 0.00 C ATOM 1234 CG TRP A 77 -24.459 6.934 2.042 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -24.866 5.961 2.867 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -23.404 7.621 2.749 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -24.155 5.970 4.050 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -23.238 7.012 3.976 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -22.618 8.721 2.365 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -22.291 7.431 4.918 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -21.676 9.128 3.317 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -21.496 8.525 4.557 1.00 0.00 C ATOM 0 H TRP A 77 -27.094 5.611 -0.398 1.00 0.00 H new ATOM 0 HA TRP A 77 -26.808 7.915 1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -24.650 6.494 -0.051 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -24.541 8.205 0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -25.652 5.257 2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -24.280 5.330 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -22.732 9.213 1.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -22.180 6.937 5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -21.045 9.969 3.071 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -20.746 8.899 5.238 1.00 0.00 H new ATOM 1253 N THR A 78 -27.458 9.378 -0.393 1.00 0.00 N ATOM 1254 CA THR A 78 -27.946 10.240 -1.456 1.00 0.00 C ATOM 1255 C THR A 78 -27.225 11.590 -1.420 1.00 0.00 C ATOM 1256 O THR A 78 -27.092 12.198 -0.360 1.00 0.00 O ATOM 1257 CB THR A 78 -29.464 10.358 -1.310 1.00 0.00 C ATOM 1258 OG1 THR A 78 -29.650 10.810 0.028 1.00 0.00 O ATOM 1259 CG2 THR A 78 -30.163 8.997 -1.345 1.00 0.00 C ATOM 0 H THR A 78 -27.514 9.780 0.543 1.00 0.00 H new ATOM 0 HA THR A 78 -27.732 9.818 -2.438 1.00 0.00 H new ATOM 0 HB THR A 78 -29.857 10.988 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 78 -30.608 10.915 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 78 -31.239 9.137 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 78 -29.955 8.505 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 78 -29.794 8.378 -0.527 1.00 0.00 H new ATOM 1267 N LEU A 79 -26.780 12.018 -2.592 1.00 0.00 N ATOM 1268 CA LEU A 79 -26.077 13.284 -2.709 1.00 0.00 C ATOM 1269 C LEU A 79 -26.892 14.237 -3.585 1.00 0.00 C ATOM 1270 O LEU A 79 -27.707 13.797 -4.395 1.00 0.00 O ATOM 1271 CB LEU A 79 -24.648 13.060 -3.208 1.00 0.00 C ATOM 1272 CG LEU A 79 -23.937 14.288 -3.780 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -22.472 14.328 -3.339 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -24.079 14.344 -5.302 1.00 0.00 C ATOM 0 H LEU A 79 -26.893 11.510 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 79 -25.978 13.756 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -24.052 12.672 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -24.670 12.287 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 79 -24.419 15.180 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -21.990 15.210 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -22.421 14.370 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -21.961 13.432 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -23.565 15.226 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -23.639 13.449 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.135 14.397 -5.567 1.00 0.00 H new ATOM 1286 N ASP A 80 -26.645 15.524 -3.394 1.00 0.00 N ATOM 1287 CA ASP A 80 -27.346 16.543 -4.157 1.00 0.00 C ATOM 1288 C ASP A 80 -26.933 16.446 -5.627 1.00 0.00 C ATOM 1289 O ASP A 80 -25.792 16.108 -5.935 1.00 0.00 O ATOM 1290 CB ASP A 80 -26.993 17.945 -3.658 1.00 0.00 C ATOM 1291 CG ASP A 80 -28.191 18.818 -3.279 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -28.986 18.354 -2.433 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -28.286 19.928 -3.845 1.00 0.00 O ATOM 0 H ASP A 80 -25.969 15.885 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 80 -28.417 16.377 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -26.342 17.852 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -26.421 18.456 -4.432 1.00 0.00 H new ATOM 1298 N PRO A 81 -27.911 16.758 -6.520 1.00 0.00 N ATOM 1299 CA PRO A 81 -27.661 16.709 -7.951 1.00 0.00 C ATOM 1300 C PRO A 81 -26.821 17.906 -8.401 1.00 0.00 C ATOM 1301 O PRO A 81 -27.349 18.864 -8.964 1.00 0.00 O ATOM 1302 CB PRO A 81 -29.040 16.678 -8.590 1.00 0.00 C ATOM 1303 CG PRO A 81 -30.004 17.177 -7.526 1.00 0.00 C ATOM 1304 CD PRO A 81 -29.275 17.163 -6.192 1.00 0.00 C ATOM 0 HA PRO A 81 -27.079 15.836 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.074 17.312 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -29.300 15.669 -8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -30.346 18.184 -7.763 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -30.889 16.541 -7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -29.294 18.145 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -29.739 16.465 -5.495 1.00 0.00 H new ATOM 1312 N GLN A 82 -25.526 17.812 -8.137 1.00 0.00 N ATOM 1313 CA GLN A 82 -24.607 18.874 -8.508 1.00 0.00 C ATOM 1314 C GLN A 82 -23.190 18.538 -8.041 1.00 0.00 C ATOM 1315 O GLN A 82 -22.433 19.426 -7.652 1.00 0.00 O ATOM 1316 CB GLN A 82 -25.066 20.219 -7.941 1.00 0.00 C ATOM 1317 CG GLN A 82 -25.319 21.229 -9.063 1.00 0.00 C ATOM 1318 CD GLN A 82 -25.466 22.645 -8.502 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -25.191 22.914 -7.344 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -25.913 23.533 -9.386 1.00 0.00 N ATOM 0 H GLN A 82 -25.091 17.016 -7.670 1.00 0.00 H new ATOM 0 HA GLN A 82 -24.600 18.958 -9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -25.977 20.081 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -24.309 20.608 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -24.495 21.200 -9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -26.222 20.954 -9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -26.124 23.241 -10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -26.044 24.506 -9.110 1.00 0.00 H new ATOM 1329 N SER A 83 -22.873 17.252 -8.094 1.00 0.00 N ATOM 1330 CA SER A 83 -21.560 16.787 -7.680 1.00 0.00 C ATOM 1331 C SER A 83 -20.552 16.990 -8.814 1.00 0.00 C ATOM 1332 O SER A 83 -19.382 17.277 -8.566 1.00 0.00 O ATOM 1333 CB SER A 83 -21.602 15.316 -7.265 1.00 0.00 C ATOM 1334 OG SER A 83 -22.278 14.509 -8.225 1.00 0.00 O ATOM 0 H SER A 83 -23.503 16.518 -8.417 1.00 0.00 H new ATOM 0 HA SER A 83 -21.247 17.371 -6.815 1.00 0.00 H new ATOM 0 HB2 SER A 83 -20.585 14.947 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.101 15.226 -6.300 1.00 0.00 H new ATOM 0 HG SER A 83 -22.282 13.576 -7.924 1.00 0.00 H new ATOM 1340 N GLU A 84 -21.044 16.832 -10.035 1.00 0.00 N ATOM 1341 CA GLU A 84 -20.201 16.994 -11.207 1.00 0.00 C ATOM 1342 C GLU A 84 -19.733 18.446 -11.328 1.00 0.00 C ATOM 1343 O GLU A 84 -18.539 18.708 -11.461 1.00 0.00 O ATOM 1344 CB GLU A 84 -20.933 16.546 -12.474 1.00 0.00 C ATOM 1345 CG GLU A 84 -20.003 15.749 -13.391 1.00 0.00 C ATOM 1346 CD GLU A 84 -20.387 15.938 -14.860 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -21.545 15.602 -15.191 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -19.515 16.415 -15.618 1.00 0.00 O ATOM 0 H GLU A 84 -22.015 16.594 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.323 16.359 -11.090 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -21.794 15.935 -12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.314 17.418 -13.006 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.973 16.069 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.050 14.691 -13.132 1.00 0.00 H new ATOM 1355 N ASP A 85 -20.699 19.352 -11.278 1.00 0.00 N ATOM 1356 CA ASP A 85 -20.401 20.770 -11.381 1.00 0.00 C ATOM 1357 C ASP A 85 -19.403 21.157 -10.288 1.00 0.00 C ATOM 1358 O ASP A 85 -18.585 22.055 -10.479 1.00 0.00 O ATOM 1359 CB ASP A 85 -21.663 21.613 -11.189 1.00 0.00 C ATOM 1360 CG ASP A 85 -21.649 22.969 -11.897 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -20.537 23.521 -12.044 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -22.750 23.423 -12.277 1.00 0.00 O ATOM 0 H ASP A 85 -21.689 19.131 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 85 -19.990 20.957 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.520 21.043 -11.546 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -21.812 21.779 -10.122 1.00 0.00 H new ATOM 1367 N MET A 86 -19.504 20.461 -9.165 1.00 0.00 N ATOM 1368 CA MET A 86 -18.620 20.721 -8.041 1.00 0.00 C ATOM 1369 C MET A 86 -17.170 20.388 -8.396 1.00 0.00 C ATOM 1370 O MET A 86 -16.268 21.186 -8.148 1.00 0.00 O ATOM 1371 CB MET A 86 -19.059 19.879 -6.842 1.00 0.00 C ATOM 1372 CG MET A 86 -19.563 20.768 -5.703 1.00 0.00 C ATOM 1373 SD MET A 86 -20.991 20.023 -4.934 1.00 0.00 S ATOM 1374 CE MET A 86 -20.302 18.445 -4.462 1.00 0.00 C ATOM 0 H MET A 86 -20.184 19.717 -9.009 1.00 0.00 H new ATOM 0 HA MET A 86 -18.679 21.781 -7.793 1.00 0.00 H new ATOM 0 HB2 MET A 86 -19.847 19.190 -7.146 1.00 0.00 H new ATOM 0 HB3 MET A 86 -18.223 19.273 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 86 -18.774 20.909 -4.964 1.00 0.00 H new ATOM 0 HG3 MET A 86 -19.820 21.755 -6.087 1.00 0.00 H new ATOM 0 HE1 MET A 86 -21.102 17.784 -4.128 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.796 17.998 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 86 -19.587 18.588 -3.652 1.00 0.00 H new ATOM 1384 N PHE A 87 -16.990 19.208 -8.971 1.00 0.00 N ATOM 1385 CA PHE A 87 -15.665 18.759 -9.362 1.00 0.00 C ATOM 1386 C PHE A 87 -15.115 19.610 -10.509 1.00 0.00 C ATOM 1387 O PHE A 87 -14.014 20.150 -10.413 1.00 0.00 O ATOM 1388 CB PHE A 87 -15.804 17.312 -9.838 1.00 0.00 C ATOM 1389 CG PHE A 87 -14.724 16.372 -9.298 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -14.288 16.503 -8.016 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -14.201 15.407 -10.099 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -13.285 15.631 -7.515 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -13.198 14.535 -9.598 1.00 0.00 C ATOM 1394 CZ PHE A 87 -12.762 14.666 -8.317 1.00 0.00 C ATOM 0 H PHE A 87 -17.741 18.549 -9.176 1.00 0.00 H new ATOM 0 HA PHE A 87 -14.979 18.845 -8.519 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -16.782 16.935 -9.539 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.775 17.294 -10.927 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -14.704 17.270 -7.379 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.548 15.303 -11.116 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -12.938 15.735 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.782 13.768 -10.234 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.999 14.003 -7.936 1.00 0.00 H new