USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 804 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 ASN : amide:sc=-0.00617 X(o=-0.0062,f=-0.34) USER MOD Single : A 17 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.29) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -40:sc= 0.77 USER MOD Single : A 31 TYR OH : rot -63:sc= -0.583 USER MOD Single : A 35 MET CE :methyl 153:sc= -5.52! (180deg=-6.23!) USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.138 USER MOD Single : A 38 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -145:sc= -0.367 USER MOD Single : A 53 TYR OH : rot 165:sc= -0.105 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -146:sc= 0.375 (180deg=0.0991) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.87) USER MOD Single : A 109 ASN : amide:sc= 1.01 K(o=1,f=-0.92) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-4.6!) USER MOD Single : A 118 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.77) USER MOD Single : A 119 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 122 CYS SG : rot 180:sc= -0.5 USER MOD Single : A 124 HIS :FLIP+bothHN:sc= -8.99! C(o=-9.6!,f=-9!) USER MOD Single : A 125 MET CE :methyl -150:sc= -0.066 (180deg=-0.893) USER MOD Single : A 128 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -21.167 -11.132 -12.489 1.00 0.00 N ATOM 78 CA ASN A 9 -20.786 -10.690 -11.158 1.00 0.00 C ATOM 79 C ASN A 9 -19.372 -10.110 -11.203 1.00 0.00 C ATOM 80 O ASN A 9 -18.491 -10.661 -11.862 1.00 0.00 O ATOM 81 CB ASN A 9 -20.787 -11.858 -10.169 1.00 0.00 C ATOM 82 CG ASN A 9 -20.489 -13.179 -10.880 1.00 0.00 C ATOM 83 OD1 ASN A 9 -21.343 -13.782 -11.508 1.00 0.00 O ATOM 84 ND2 ASN A 9 -19.232 -13.593 -10.747 1.00 0.00 N ATOM 0 HA ASN A 9 -21.507 -9.940 -10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.042 -11.683 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.756 -11.918 -9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.933 -14.464 -11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.567 -13.039 -10.207 1.00 0.00 H new ATOM 91 N PHE A 10 -19.197 -9.005 -10.494 1.00 0.00 N ATOM 92 CA PHE A 10 -17.904 -8.343 -10.444 1.00 0.00 C ATOM 93 C PHE A 10 -17.711 -7.615 -9.113 1.00 0.00 C ATOM 94 O PHE A 10 -18.528 -6.776 -8.736 1.00 0.00 O ATOM 95 CB PHE A 10 -17.882 -7.319 -11.581 1.00 0.00 C ATOM 96 CG PHE A 10 -18.568 -5.995 -11.238 1.00 0.00 C ATOM 97 CD1 PHE A 10 -17.888 -5.033 -10.558 1.00 0.00 C ATOM 98 CD2 PHE A 10 -19.857 -5.780 -11.614 1.00 0.00 C ATOM 99 CE1 PHE A 10 -18.525 -3.804 -10.241 1.00 0.00 C ATOM 100 CE2 PHE A 10 -20.494 -4.552 -11.296 1.00 0.00 C ATOM 101 CZ PHE A 10 -19.815 -3.589 -10.616 1.00 0.00 C ATOM 0 H PHE A 10 -19.930 -8.551 -9.949 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.105 -9.078 -10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -16.847 -7.119 -11.857 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -18.367 -7.752 -12.456 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.864 -5.204 -10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -20.396 -6.544 -12.155 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.985 -3.040 -9.702 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -21.518 -4.382 -11.594 1.00 0.00 H new ATOM 0 HZ PHE A 10 -20.300 -2.655 -10.374 1.00 0.00 H new ATOM 111 N LEU A 11 -16.626 -7.961 -8.437 1.00 0.00 N ATOM 112 CA LEU A 11 -16.315 -7.351 -7.155 1.00 0.00 C ATOM 113 C LEU A 11 -14.946 -6.673 -7.237 1.00 0.00 C ATOM 114 O LEU A 11 -13.914 -7.342 -7.184 1.00 0.00 O ATOM 115 CB LEU A 11 -16.426 -8.381 -6.030 1.00 0.00 C ATOM 116 CG LEU A 11 -15.835 -7.967 -4.681 1.00 0.00 C ATOM 117 CD1 LEU A 11 -16.846 -7.157 -3.866 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.322 -9.185 -3.909 1.00 0.00 C ATOM 0 H LEU A 11 -15.950 -8.657 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.042 -6.574 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.480 -8.619 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.934 -9.298 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.978 -7.320 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.401 -6.875 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.121 -6.258 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.736 -7.760 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.907 -8.862 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.146 -9.877 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.547 -9.685 -4.491 1.00 0.00 H new ATOM 130 N GLU A 12 -14.980 -5.355 -7.364 1.00 0.00 N ATOM 131 CA GLU A 12 -13.754 -4.580 -7.453 1.00 0.00 C ATOM 132 C GLU A 12 -13.840 -3.345 -6.553 1.00 0.00 C ATOM 133 O GLU A 12 -14.932 -2.921 -6.178 1.00 0.00 O ATOM 134 CB GLU A 12 -13.460 -4.183 -8.901 1.00 0.00 C ATOM 135 CG GLU A 12 -13.433 -5.413 -9.811 1.00 0.00 C ATOM 136 CD GLU A 12 -12.166 -5.433 -10.669 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.981 -4.459 -11.430 1.00 0.00 O ATOM 138 OE2 GLU A 12 -11.412 -6.421 -10.544 1.00 0.00 O ATOM 0 H GLU A 12 -15.837 -4.804 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.929 -5.202 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.219 -3.483 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.502 -3.666 -8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.481 -6.318 -9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.313 -5.413 -10.455 1.00 0.00 H new ATOM 145 N ILE A 13 -12.674 -2.803 -6.233 1.00 0.00 N ATOM 146 CA ILE A 13 -12.604 -1.625 -5.385 1.00 0.00 C ATOM 147 C ILE A 13 -11.790 -0.540 -6.092 1.00 0.00 C ATOM 148 O ILE A 13 -10.932 -0.843 -6.920 1.00 0.00 O ATOM 149 CB ILE A 13 -12.067 -1.994 -4.000 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.033 -2.927 -3.268 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.752 -0.740 -3.183 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.369 -4.270 -2.958 1.00 0.00 C ATOM 0 H ILE A 13 -11.770 -3.158 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.600 -1.216 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.131 -2.538 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.365 -2.459 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.921 -3.089 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.372 -1.030 -2.203 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.000 -0.147 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.659 -0.149 -3.060 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.077 -4.915 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.061 -4.747 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.495 -4.107 -2.327 1.00 0.00 H new ATOM 164 N ASP A 14 -12.087 0.702 -5.739 1.00 0.00 N ATOM 165 CA ASP A 14 -11.393 1.834 -6.330 1.00 0.00 C ATOM 166 C ASP A 14 -10.652 2.601 -5.233 1.00 0.00 C ATOM 167 O ASP A 14 -11.174 2.775 -4.132 1.00 0.00 O ATOM 168 CB ASP A 14 -12.377 2.796 -6.998 1.00 0.00 C ATOM 169 CG ASP A 14 -13.101 2.232 -8.223 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.079 0.992 -8.374 1.00 0.00 O ATOM 171 OD2 ASP A 14 -13.660 3.055 -8.980 1.00 0.00 O ATOM 0 H ASP A 14 -12.799 0.949 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.699 1.451 -7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.122 3.099 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.838 3.695 -7.295 1.00 0.00 H new ATOM 176 N ILE A 15 -9.449 3.040 -5.571 1.00 0.00 N ATOM 177 CA ILE A 15 -8.632 3.785 -4.628 1.00 0.00 C ATOM 178 C ILE A 15 -8.159 5.083 -5.284 1.00 0.00 C ATOM 179 O ILE A 15 -7.194 5.081 -6.048 1.00 0.00 O ATOM 180 CB ILE A 15 -7.491 2.911 -4.100 1.00 0.00 C ATOM 181 CG1 ILE A 15 -8.012 1.548 -3.641 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.716 3.631 -2.995 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.306 1.551 -2.139 1.00 0.00 C ATOM 0 H ILE A 15 -9.020 2.894 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.219 4.065 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.793 2.730 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.918 1.297 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.276 0.777 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.911 2.989 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.294 4.556 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.389 3.863 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.675 0.570 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.392 1.779 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.060 2.306 -1.917 1.00 0.00 H new ATOM 195 N PHE A 16 -8.860 6.161 -4.963 1.00 0.00 N ATOM 196 CA PHE A 16 -8.523 7.463 -5.512 1.00 0.00 C ATOM 197 C PHE A 16 -8.964 8.586 -4.570 1.00 0.00 C ATOM 198 O PHE A 16 -9.430 8.324 -3.462 1.00 0.00 O ATOM 199 CB PHE A 16 -9.278 7.599 -6.836 1.00 0.00 C ATOM 200 CG PHE A 16 -10.795 7.723 -6.678 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.362 8.946 -6.496 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.576 6.611 -6.719 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.769 9.061 -6.349 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.984 6.726 -6.572 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.551 7.948 -6.390 1.00 0.00 C ATOM 0 H PHE A 16 -9.660 6.159 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.444 7.541 -5.648 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.906 8.475 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.058 6.732 -7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.742 9.829 -6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.126 5.640 -6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.219 10.032 -6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.604 5.842 -6.605 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.622 8.036 -6.278 1.00 0.00 H new ATOM 215 N ASN A 17 -8.801 9.812 -5.046 1.00 0.00 N ATOM 216 CA ASN A 17 -9.176 10.975 -4.260 1.00 0.00 C ATOM 217 C ASN A 17 -8.224 11.109 -3.069 1.00 0.00 C ATOM 218 O ASN A 17 -8.644 10.998 -1.919 1.00 0.00 O ATOM 219 CB ASN A 17 -10.598 10.836 -3.714 1.00 0.00 C ATOM 220 CG ASN A 17 -11.512 11.924 -4.281 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.739 12.019 -5.476 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.022 12.736 -3.360 1.00 0.00 N ATOM 0 H ASN A 17 -8.415 10.025 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.122 11.850 -4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.995 9.853 -3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.582 10.900 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.645 13.495 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.791 12.600 -2.376 1.00 0.00 H new ATOM 229 N PRO A 18 -6.926 11.353 -3.396 1.00 0.00 N ATOM 230 CA PRO A 18 -5.912 11.504 -2.367 1.00 0.00 C ATOM 231 C PRO A 18 -6.030 12.864 -1.675 1.00 0.00 C ATOM 232 O PRO A 18 -5.450 13.848 -2.132 1.00 0.00 O ATOM 233 CB PRO A 18 -4.588 11.318 -3.090 1.00 0.00 C ATOM 234 CG PRO A 18 -4.885 11.533 -4.565 1.00 0.00 C ATOM 235 CD PRO A 18 -6.393 11.491 -4.748 1.00 0.00 C ATOM 0 HA PRO A 18 -6.017 10.776 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.845 12.031 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.184 10.321 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.487 12.491 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.406 10.761 -5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.759 12.399 -5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.692 10.654 -5.379 1.00 0.00 H new ATOM 243 N GLN A 19 -6.783 12.874 -0.586 1.00 0.00 N ATOM 244 CA GLN A 19 -6.985 14.097 0.173 1.00 0.00 C ATOM 245 C GLN A 19 -6.000 14.164 1.342 1.00 0.00 C ATOM 246 O GLN A 19 -5.687 13.145 1.955 1.00 0.00 O ATOM 247 CB GLN A 19 -8.429 14.205 0.666 1.00 0.00 C ATOM 248 CG GLN A 19 -8.982 15.613 0.438 1.00 0.00 C ATOM 249 CD GLN A 19 -10.483 15.666 0.732 1.00 0.00 C ATOM 250 OE1 GLN A 19 -11.175 14.662 0.747 1.00 0.00 O ATOM 251 NE2 GLN A 19 -10.946 16.891 0.964 1.00 0.00 N ATOM 0 H GLN A 19 -7.261 12.055 -0.210 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.797 14.945 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.051 13.477 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.474 13.960 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.457 16.322 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.798 15.917 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.312 17.690 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.935 17.032 1.170 1.00 0.00 H new ATOM 260 N THR A 20 -5.538 15.376 1.616 1.00 0.00 N ATOM 261 CA THR A 20 -4.595 15.590 2.700 1.00 0.00 C ATOM 262 C THR A 20 -5.033 16.776 3.562 1.00 0.00 C ATOM 263 O THR A 20 -5.204 17.884 3.057 1.00 0.00 O ATOM 264 CB THR A 20 -3.203 15.764 2.089 1.00 0.00 C ATOM 265 OG1 THR A 20 -2.843 14.451 1.667 1.00 0.00 O ATOM 266 CG2 THR A 20 -2.145 16.122 3.135 1.00 0.00 C ATOM 0 H THR A 20 -5.800 16.219 1.106 1.00 0.00 H new ATOM 0 HA THR A 20 -4.565 14.733 3.373 1.00 0.00 H new ATOM 0 HB THR A 20 -3.236 16.541 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.953 14.472 1.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.176 16.234 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.417 17.058 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.087 15.329 3.880 1.00 0.00 H new ATOM 412 N THR A 30 -5.217 10.129 3.103 1.00 0.00 N ATOM 413 CA THR A 30 -6.137 9.005 3.066 1.00 0.00 C ATOM 414 C THR A 30 -6.810 8.911 1.695 1.00 0.00 C ATOM 415 O THR A 30 -7.190 9.928 1.116 1.00 0.00 O ATOM 416 CB THR A 30 -7.129 9.167 4.220 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.311 10.577 4.326 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.528 8.767 5.569 1.00 0.00 C ATOM 0 HA THR A 30 -5.611 8.060 3.201 1.00 0.00 H new ATOM 0 HB THR A 30 -8.015 8.564 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.452 11.029 4.191 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.273 8.901 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.221 7.722 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.661 9.393 5.781 1.00 0.00 H new ATOM 426 N TYR A 31 -6.938 7.683 1.217 1.00 0.00 N ATOM 427 CA TYR A 31 -7.558 7.443 -0.075 1.00 0.00 C ATOM 428 C TYR A 31 -9.016 7.009 0.089 1.00 0.00 C ATOM 429 O TYR A 31 -9.363 6.341 1.062 1.00 0.00 O ATOM 430 CB TYR A 31 -6.768 6.301 -0.717 1.00 0.00 C ATOM 431 CG TYR A 31 -5.314 6.654 -1.037 1.00 0.00 C ATOM 432 CD1 TYR A 31 -5.017 7.412 -2.151 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.300 6.213 -0.211 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.648 7.744 -2.452 1.00 0.00 C ATOM 435 CE2 TYR A 31 -2.931 6.545 -0.512 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.673 7.294 -1.618 1.00 0.00 C ATOM 437 OH TYR A 31 -1.380 7.607 -1.902 1.00 0.00 O ATOM 0 H TYR A 31 -6.623 6.842 1.701 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.548 8.350 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.784 5.441 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.269 5.998 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.811 7.756 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.533 5.619 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.402 8.337 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.128 6.207 0.126 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.126 7.204 -2.759 1.00 0.00 H new ATOM 447 N GLU A 32 -9.831 7.406 -0.877 1.00 0.00 N ATOM 448 CA GLU A 32 -11.243 7.067 -0.852 1.00 0.00 C ATOM 449 C GLU A 32 -11.448 5.613 -1.284 1.00 0.00 C ATOM 450 O GLU A 32 -11.490 5.316 -2.477 1.00 0.00 O ATOM 451 CB GLU A 32 -12.052 8.020 -1.735 1.00 0.00 C ATOM 452 CG GLU A 32 -12.454 9.276 -0.960 1.00 0.00 C ATOM 453 CD GLU A 32 -13.944 9.576 -1.137 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.734 8.613 -1.031 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.260 10.762 -1.375 1.00 0.00 O ATOM 0 H GLU A 32 -9.540 7.960 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.604 7.177 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.463 8.300 -2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.945 7.513 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.230 9.142 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.865 10.125 -1.306 1.00 0.00 H new ATOM 462 N VAL A 33 -11.569 4.746 -0.290 1.00 0.00 N ATOM 463 CA VAL A 33 -11.768 3.330 -0.552 1.00 0.00 C ATOM 464 C VAL A 33 -13.226 3.089 -0.945 1.00 0.00 C ATOM 465 O VAL A 33 -14.075 2.862 -0.084 1.00 0.00 O ATOM 466 CB VAL A 33 -11.331 2.507 0.662 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.461 1.008 0.383 1.00 0.00 C ATOM 468 CG2 VAL A 33 -9.905 2.865 1.082 1.00 0.00 C ATOM 0 H VAL A 33 -11.533 4.996 0.698 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.149 3.005 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.995 2.752 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.144 0.446 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.500 0.769 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.832 0.740 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.619 2.266 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.221 2.662 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.857 3.923 1.341 1.00 0.00 H new ATOM 478 N ARG A 34 -13.473 3.146 -2.246 1.00 0.00 N ATOM 479 CA ARG A 34 -14.814 2.936 -2.763 1.00 0.00 C ATOM 480 C ARG A 34 -14.915 1.567 -3.438 1.00 0.00 C ATOM 481 O ARG A 34 -14.168 1.274 -4.370 1.00 0.00 O ATOM 482 CB ARG A 34 -15.192 4.023 -3.771 1.00 0.00 C ATOM 483 CG ARG A 34 -16.692 3.998 -4.069 1.00 0.00 C ATOM 484 CD ARG A 34 -17.076 5.106 -5.051 1.00 0.00 C ATOM 485 NE ARG A 34 -17.285 4.537 -6.401 1.00 0.00 N ATOM 486 CZ ARG A 34 -17.235 5.250 -7.533 1.00 0.00 C ATOM 487 NH1 ARG A 34 -16.982 6.566 -7.486 1.00 0.00 N ATOM 488 NH2 ARG A 34 -17.438 4.649 -8.714 1.00 0.00 N ATOM 0 H ARG A 34 -12.767 3.335 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.504 2.981 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.912 5.001 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.632 3.878 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.968 3.028 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.252 4.119 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.985 5.604 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.292 5.862 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.479 3.538 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.828 7.024 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.944 7.109 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.631 3.648 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.400 5.193 -9.576 1.00 0.00 H new ATOM 502 N MET A 35 -15.844 0.764 -2.941 1.00 0.00 N ATOM 503 CA MET A 35 -16.052 -0.567 -3.485 1.00 0.00 C ATOM 504 C MET A 35 -17.354 -0.635 -4.286 1.00 0.00 C ATOM 505 O MET A 35 -18.288 0.122 -4.026 1.00 0.00 O ATOM 506 CB MET A 35 -16.103 -1.583 -2.342 1.00 0.00 C ATOM 507 CG MET A 35 -16.546 -2.957 -2.849 1.00 0.00 C ATOM 508 SD MET A 35 -18.328 -3.066 -2.836 1.00 0.00 S ATOM 509 CE MET A 35 -18.558 -4.214 -1.489 1.00 0.00 C ATOM 0 H MET A 35 -16.461 1.010 -2.167 1.00 0.00 H new ATOM 0 HA MET A 35 -15.223 -0.799 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.120 -1.662 -1.877 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.792 -1.236 -1.572 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.171 -3.119 -3.859 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.121 -3.740 -2.221 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.532 -4.045 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.508 -5.235 -1.868 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.775 -4.065 -0.746 1.00 0.00 H new ATOM 519 N ARG A 36 -17.374 -1.550 -5.245 1.00 0.00 N ATOM 520 CA ARG A 36 -18.546 -1.727 -6.086 1.00 0.00 C ATOM 521 C ARG A 36 -18.758 -3.210 -6.394 1.00 0.00 C ATOM 522 O ARG A 36 -17.979 -3.812 -7.131 1.00 0.00 O ATOM 523 CB ARG A 36 -18.402 -0.955 -7.399 1.00 0.00 C ATOM 524 CG ARG A 36 -19.277 0.300 -7.395 1.00 0.00 C ATOM 525 CD ARG A 36 -19.493 0.822 -8.817 1.00 0.00 C ATOM 526 NE ARG A 36 -20.789 0.337 -9.343 1.00 0.00 N ATOM 527 CZ ARG A 36 -21.188 0.485 -10.613 1.00 0.00 C ATOM 528 NH1 ARG A 36 -20.393 1.105 -11.497 1.00 0.00 N ATOM 529 NH2 ARG A 36 -22.380 0.013 -11.001 1.00 0.00 N ATOM 0 H ARG A 36 -16.598 -2.176 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.407 -1.339 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -17.359 -0.675 -7.548 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -18.683 -1.596 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.240 0.075 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -18.807 1.073 -6.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.475 1.912 -8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.681 0.488 -9.463 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.418 -0.140 -8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.485 1.464 -11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.696 1.218 -12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.985 -0.460 -10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.683 0.126 -11.968 1.00 0.00 H new ATOM 543 N THR A 37 -19.818 -3.756 -5.815 1.00 0.00 N ATOM 544 CA THR A 37 -20.143 -5.158 -6.019 1.00 0.00 C ATOM 545 C THR A 37 -21.634 -5.321 -6.320 1.00 0.00 C ATOM 546 O THR A 37 -22.397 -4.360 -6.232 1.00 0.00 O ATOM 547 CB THR A 37 -19.684 -5.934 -4.784 1.00 0.00 C ATOM 548 OG1 THR A 37 -19.799 -7.301 -5.170 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.656 -5.795 -3.610 1.00 0.00 C ATOM 0 H THR A 37 -20.462 -3.253 -5.205 1.00 0.00 H new ATOM 0 HA THR A 37 -19.622 -5.563 -6.887 1.00 0.00 H new ATOM 0 HB THR A 37 -18.697 -5.583 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.835 -7.865 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.283 -6.365 -2.759 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.744 -4.745 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.635 -6.176 -3.901 1.00 0.00 H new ATOM 557 N ASN A 38 -22.004 -6.544 -6.670 1.00 0.00 N ATOM 558 CA ASN A 38 -23.390 -6.845 -6.984 1.00 0.00 C ATOM 559 C ASN A 38 -23.779 -8.174 -6.332 1.00 0.00 C ATOM 560 O ASN A 38 -24.791 -8.773 -6.693 1.00 0.00 O ATOM 561 CB ASN A 38 -23.595 -6.982 -8.494 1.00 0.00 C ATOM 562 CG ASN A 38 -22.995 -8.291 -9.013 1.00 0.00 C ATOM 563 OD1 ASN A 38 -21.920 -8.711 -8.617 1.00 0.00 O ATOM 564 ND2 ASN A 38 -23.747 -8.910 -9.918 1.00 0.00 N ATOM 0 H ASN A 38 -21.368 -7.338 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.006 -6.028 -6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.660 -6.950 -8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.132 -6.138 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.434 -9.791 -10.325 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -24.637 -8.504 -10.206 1.00 0.00 H new ATOM 571 N LEU A 39 -22.956 -8.594 -5.383 1.00 0.00 N ATOM 572 CA LEU A 39 -23.202 -9.840 -4.677 1.00 0.00 C ATOM 573 C LEU A 39 -24.061 -9.561 -3.442 1.00 0.00 C ATOM 574 O LEU A 39 -24.086 -8.438 -2.940 1.00 0.00 O ATOM 575 CB LEU A 39 -21.882 -10.546 -4.361 1.00 0.00 C ATOM 576 CG LEU A 39 -20.927 -10.744 -5.540 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.559 -11.233 -5.062 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.537 -11.679 -6.587 1.00 0.00 C ATOM 0 H LEU A 39 -22.118 -8.094 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.764 -10.530 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.363 -9.975 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.109 -11.523 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.772 -9.778 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.900 -11.366 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.127 -10.498 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.674 -12.184 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.839 -11.803 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.740 -12.650 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.468 -11.251 -6.959 1.00 0.00 H new ATOM 590 N PRO A 40 -24.762 -10.629 -2.976 1.00 0.00 N ATOM 591 CA PRO A 40 -25.620 -10.510 -1.810 1.00 0.00 C ATOM 592 C PRO A 40 -24.792 -10.448 -0.524 1.00 0.00 C ATOM 593 O PRO A 40 -25.132 -9.713 0.402 1.00 0.00 O ATOM 594 CB PRO A 40 -26.535 -11.722 -1.869 1.00 0.00 C ATOM 595 CG PRO A 40 -25.855 -12.713 -2.799 1.00 0.00 C ATOM 596 CD PRO A 40 -24.756 -11.973 -3.545 1.00 0.00 C ATOM 0 HA PRO A 40 -26.202 -9.588 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.678 -12.152 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.522 -11.449 -2.243 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.438 -13.545 -2.231 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.575 -13.135 -3.500 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.789 -12.457 -3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.951 -11.950 -4.617 1.00 0.00 H new ATOM 604 N ILE A 41 -23.723 -11.230 -0.509 1.00 0.00 N ATOM 605 CA ILE A 41 -22.844 -11.274 0.647 1.00 0.00 C ATOM 606 C ILE A 41 -22.700 -9.865 1.227 1.00 0.00 C ATOM 607 O ILE A 41 -22.772 -9.678 2.440 1.00 0.00 O ATOM 608 CB ILE A 41 -21.510 -11.927 0.282 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.596 -10.940 -0.445 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.730 -13.208 -0.526 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.187 -11.513 -0.606 1.00 0.00 C ATOM 0 H ILE A 41 -23.445 -11.838 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.275 -11.899 1.429 1.00 0.00 H new ATOM 0 HB ILE A 41 -21.005 -12.211 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.012 -10.708 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.550 -10.004 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.766 -13.653 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.315 -13.914 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.266 -12.971 -1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.558 -10.791 -1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.764 -11.721 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.233 -12.436 -1.184 1.00 0.00 H new ATOM 623 N PHE A 42 -22.500 -8.909 0.331 1.00 0.00 N ATOM 624 CA PHE A 42 -22.346 -7.523 0.738 1.00 0.00 C ATOM 625 C PHE A 42 -23.708 -6.848 0.915 1.00 0.00 C ATOM 626 O PHE A 42 -24.545 -6.887 0.015 1.00 0.00 O ATOM 627 CB PHE A 42 -21.579 -6.811 -0.379 1.00 0.00 C ATOM 628 CG PHE A 42 -20.103 -7.205 -0.469 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.734 -8.298 -1.190 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.161 -6.463 0.172 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.365 -8.663 -1.274 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.791 -6.829 0.088 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.422 -7.921 -0.633 1.00 0.00 C ATOM 0 H PHE A 42 -22.441 -9.067 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.819 -7.472 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.061 -7.028 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.648 -5.734 -0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.482 -8.888 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.454 -5.596 0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.072 -9.530 -1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.042 -6.240 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.380 -8.199 -0.697 1.00 0.00 H new ATOM 643 N LYS A 43 -23.887 -6.246 2.082 1.00 0.00 N ATOM 644 CA LYS A 43 -25.132 -5.564 2.388 1.00 0.00 C ATOM 645 C LYS A 43 -25.198 -4.253 1.602 1.00 0.00 C ATOM 646 O LYS A 43 -26.233 -3.923 1.024 1.00 0.00 O ATOM 647 CB LYS A 43 -25.286 -5.382 3.900 1.00 0.00 C ATOM 648 CG LYS A 43 -26.716 -4.975 4.261 1.00 0.00 C ATOM 649 CD LYS A 43 -26.972 -5.143 5.760 1.00 0.00 C ATOM 650 CE LYS A 43 -28.465 -5.321 6.044 1.00 0.00 C ATOM 651 NZ LYS A 43 -28.806 -4.780 7.379 1.00 0.00 N ATOM 0 H LYS A 43 -23.190 -6.217 2.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.983 -6.168 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.029 -6.311 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.588 -4.622 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.886 -3.937 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.424 -5.582 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.422 -6.007 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -26.597 -4.271 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -29.050 -4.812 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.727 -6.378 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.823 -4.909 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -28.261 -5.284 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -28.574 -3.767 7.413 1.00 0.00 H new ATOM 665 N LEU A 44 -24.081 -3.541 1.605 1.00 0.00 N ATOM 666 CA LEU A 44 -23.999 -2.274 0.899 1.00 0.00 C ATOM 667 C LEU A 44 -23.479 -2.518 -0.520 1.00 0.00 C ATOM 668 O LEU A 44 -22.574 -3.325 -0.723 1.00 0.00 O ATOM 669 CB LEU A 44 -23.163 -1.270 1.695 1.00 0.00 C ATOM 670 CG LEU A 44 -23.338 -1.307 3.215 1.00 0.00 C ATOM 671 CD1 LEU A 44 -22.597 -0.146 3.881 1.00 0.00 C ATOM 672 CD2 LEU A 44 -24.820 -1.335 3.595 1.00 0.00 C ATOM 0 H LEU A 44 -23.225 -3.818 2.085 1.00 0.00 H new ATOM 0 HA LEU A 44 -24.988 -1.826 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.111 -1.441 1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -23.406 -0.267 1.345 1.00 0.00 H new ATOM 0 HG LEU A 44 -22.892 -2.229 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -22.738 -0.196 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -21.534 -0.213 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -22.991 0.799 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -24.917 -1.361 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.312 -0.442 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.289 -2.221 3.168 1.00 0.00 H new ATOM 684 N LYS A 45 -24.076 -1.806 -1.465 1.00 0.00 N ATOM 685 CA LYS A 45 -23.685 -1.935 -2.858 1.00 0.00 C ATOM 686 C LYS A 45 -22.362 -1.199 -3.083 1.00 0.00 C ATOM 687 O LYS A 45 -21.547 -1.617 -3.903 1.00 0.00 O ATOM 688 CB LYS A 45 -24.814 -1.465 -3.777 1.00 0.00 C ATOM 689 CG LYS A 45 -26.082 -2.293 -3.556 1.00 0.00 C ATOM 690 CD LYS A 45 -26.014 -3.615 -4.323 1.00 0.00 C ATOM 691 CE LYS A 45 -26.979 -3.609 -5.511 1.00 0.00 C ATOM 692 NZ LYS A 45 -26.474 -2.724 -6.584 1.00 0.00 N ATOM 0 H LYS A 45 -24.827 -1.138 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.515 -2.982 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.026 -0.412 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.499 -1.547 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.210 -2.492 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.953 -1.724 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.997 -3.783 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.259 -4.441 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.100 -4.622 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.963 -3.271 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.140 -2.731 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -26.381 -1.754 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.545 -3.063 -6.905 1.00 0.00 H new ATOM 706 N GLU A 46 -22.191 -0.116 -2.339 1.00 0.00 N ATOM 707 CA GLU A 46 -20.982 0.682 -2.447 1.00 0.00 C ATOM 708 C GLU A 46 -20.902 1.683 -1.292 1.00 0.00 C ATOM 709 O GLU A 46 -21.919 2.229 -0.868 1.00 0.00 O ATOM 710 CB GLU A 46 -20.915 1.396 -3.798 1.00 0.00 C ATOM 711 CG GLU A 46 -19.778 2.420 -3.821 1.00 0.00 C ATOM 712 CD GLU A 46 -20.316 3.842 -3.650 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.066 4.277 -4.551 1.00 0.00 O ATOM 714 OE2 GLU A 46 -19.965 4.462 -2.623 1.00 0.00 O ATOM 0 H GLU A 46 -22.870 0.227 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.122 0.015 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.767 0.665 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -21.863 1.895 -3.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.068 2.198 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -19.235 2.344 -4.763 1.00 0.00 H new ATOM 721 N SER A 47 -19.683 1.893 -0.816 1.00 0.00 N ATOM 722 CA SER A 47 -19.457 2.818 0.281 1.00 0.00 C ATOM 723 C SER A 47 -18.028 3.361 0.221 1.00 0.00 C ATOM 724 O SER A 47 -17.211 2.883 -0.564 1.00 0.00 O ATOM 725 CB SER A 47 -19.714 2.145 1.631 1.00 0.00 C ATOM 726 OG SER A 47 -20.175 3.072 2.610 1.00 0.00 O ATOM 0 H SER A 47 -18.842 1.438 -1.170 1.00 0.00 H new ATOM 0 HA SER A 47 -20.158 3.647 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.452 1.352 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 47 -18.796 1.674 1.982 1.00 0.00 H new ATOM 0 HG SER A 47 -20.329 2.604 3.457 1.00 0.00 H new ATOM 732 N CYS A 48 -17.770 4.352 1.062 1.00 0.00 N ATOM 733 CA CYS A 48 -16.454 4.965 1.115 1.00 0.00 C ATOM 734 C CYS A 48 -16.018 5.042 2.580 1.00 0.00 C ATOM 735 O CYS A 48 -16.844 5.254 3.466 1.00 0.00 O ATOM 736 CB CYS A 48 -16.442 6.340 0.444 1.00 0.00 C ATOM 737 SG CYS A 48 -16.561 6.150 -1.373 1.00 0.00 S ATOM 0 H CYS A 48 -18.450 4.746 1.712 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.744 4.355 0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.275 6.940 0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.527 6.873 0.703 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.864 7.081 -1.953 1.00 0.00 H new ATOM 743 N VAL A 49 -14.722 4.864 2.789 1.00 0.00 N ATOM 744 CA VAL A 49 -14.167 4.911 4.130 1.00 0.00 C ATOM 745 C VAL A 49 -12.759 5.509 4.075 1.00 0.00 C ATOM 746 O VAL A 49 -12.158 5.591 3.005 1.00 0.00 O ATOM 747 CB VAL A 49 -14.200 3.516 4.759 1.00 0.00 C ATOM 748 CG1 VAL A 49 -15.635 3.091 5.076 1.00 0.00 C ATOM 749 CG2 VAL A 49 -13.511 2.492 3.856 1.00 0.00 C ATOM 0 H VAL A 49 -14.040 4.687 2.051 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.769 5.556 4.770 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.649 3.559 5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -15.630 2.096 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.078 3.800 5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.221 3.073 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.548 1.509 4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.022 2.454 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.471 2.782 3.704 1.00 0.00 H new ATOM 759 N ARG A 50 -12.275 5.911 5.241 1.00 0.00 N ATOM 760 CA ARG A 50 -10.950 6.498 5.339 1.00 0.00 C ATOM 761 C ARG A 50 -9.975 5.506 5.977 1.00 0.00 C ATOM 762 O ARG A 50 -10.078 5.207 7.165 1.00 0.00 O ATOM 763 CB ARG A 50 -10.977 7.783 6.170 1.00 0.00 C ATOM 764 CG ARG A 50 -9.591 8.100 6.734 1.00 0.00 C ATOM 765 CD ARG A 50 -9.599 9.427 7.496 1.00 0.00 C ATOM 766 NE ARG A 50 -9.587 9.174 8.954 1.00 0.00 N ATOM 767 CZ ARG A 50 -9.787 10.120 9.882 1.00 0.00 C ATOM 768 NH1 ARG A 50 -10.015 11.387 9.509 1.00 0.00 N ATOM 769 NH2 ARG A 50 -9.759 9.799 11.182 1.00 0.00 N ATOM 0 H ARG A 50 -12.777 5.842 6.126 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.619 6.739 4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.321 8.613 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.691 7.677 6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.273 7.297 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.866 8.148 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.730 10.022 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.483 10.005 7.226 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.416 8.220 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.036 11.631 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.167 12.107 10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.585 8.835 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.911 10.519 11.888 1.00 0.00 H new ATOM 783 N ARG A 51 -9.051 5.025 5.158 1.00 0.00 N ATOM 784 CA ARG A 51 -8.059 4.073 5.628 1.00 0.00 C ATOM 785 C ARG A 51 -6.748 4.249 4.858 1.00 0.00 C ATOM 786 O ARG A 51 -6.756 4.393 3.636 1.00 0.00 O ATOM 787 CB ARG A 51 -8.552 2.634 5.459 1.00 0.00 C ATOM 788 CG ARG A 51 -9.864 2.412 6.214 1.00 0.00 C ATOM 789 CD ARG A 51 -9.642 2.472 7.727 1.00 0.00 C ATOM 790 NE ARG A 51 -8.817 1.323 8.163 1.00 0.00 N ATOM 791 CZ ARG A 51 -8.435 1.111 9.430 1.00 0.00 C ATOM 792 NH1 ARG A 51 -8.801 1.967 10.393 1.00 0.00 N ATOM 793 NH2 ARG A 51 -7.686 0.041 9.733 1.00 0.00 N ATOM 0 H ARG A 51 -8.969 5.276 4.173 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.891 4.265 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.696 2.417 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.795 1.941 5.826 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.590 3.169 5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.285 1.444 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.149 3.407 7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.601 2.459 8.245 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.521 0.651 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.371 2.781 10.162 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.510 1.805 11.357 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.407 -0.611 9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.395 -0.121 10.697 1.00 0.00 H new ATOM 807 N ARG A 52 -5.654 4.233 5.604 1.00 0.00 N ATOM 808 CA ARG A 52 -4.338 4.389 5.007 1.00 0.00 C ATOM 809 C ARG A 52 -3.774 3.026 4.603 1.00 0.00 C ATOM 810 O ARG A 52 -4.425 1.999 4.791 1.00 0.00 O ATOM 811 CB ARG A 52 -3.370 5.067 5.979 1.00 0.00 C ATOM 812 CG ARG A 52 -3.632 6.573 6.052 1.00 0.00 C ATOM 813 CD ARG A 52 -3.683 7.050 7.505 1.00 0.00 C ATOM 814 NE ARG A 52 -4.816 6.408 8.209 1.00 0.00 N ATOM 815 CZ ARG A 52 -5.375 6.888 9.328 1.00 0.00 C ATOM 816 NH1 ARG A 52 -4.909 8.018 9.878 1.00 0.00 N ATOM 817 NH2 ARG A 52 -6.399 6.239 9.898 1.00 0.00 N ATOM 0 H ARG A 52 -5.651 4.114 6.617 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.447 5.017 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.477 4.627 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.343 4.888 5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.848 7.109 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.574 6.807 5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.747 6.808 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.792 8.134 7.537 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.195 5.546 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.129 8.512 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.334 8.384 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.754 5.379 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.824 6.605 10.750 1.00 0.00 H new ATOM 831 N TYR A 53 -2.568 3.059 4.055 1.00 0.00 N ATOM 832 CA TYR A 53 -1.908 1.839 3.623 1.00 0.00 C ATOM 833 C TYR A 53 -1.665 0.898 4.805 1.00 0.00 C ATOM 834 O TYR A 53 -1.773 -0.319 4.666 1.00 0.00 O ATOM 835 CB TYR A 53 -0.559 2.271 3.045 1.00 0.00 C ATOM 836 CG TYR A 53 0.482 1.151 2.989 1.00 0.00 C ATOM 837 CD1 TYR A 53 1.148 0.770 4.136 1.00 0.00 C ATOM 838 CD2 TYR A 53 0.754 0.521 1.792 1.00 0.00 C ATOM 839 CE1 TYR A 53 2.128 -0.284 4.083 1.00 0.00 C ATOM 840 CE2 TYR A 53 1.733 -0.533 1.739 1.00 0.00 C ATOM 841 CZ TYR A 53 2.372 -0.884 2.887 1.00 0.00 C ATOM 842 OH TYR A 53 3.297 -1.880 2.837 1.00 0.00 O ATOM 0 H TYR A 53 -2.031 3.912 3.900 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.523 1.307 2.897 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.714 2.659 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.164 3.091 3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.934 1.262 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.232 0.819 0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.657 -0.591 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.955 -1.034 0.808 1.00 0.00 H new ATOM 0 HH TYR A 53 3.201 -2.374 1.996 1.00 0.00 H new ATOM 852 N SER A 54 -1.342 1.499 5.941 1.00 0.00 N ATOM 853 CA SER A 54 -1.083 0.730 7.147 1.00 0.00 C ATOM 854 C SER A 54 -2.295 -0.142 7.481 1.00 0.00 C ATOM 855 O SER A 54 -2.144 -1.303 7.859 1.00 0.00 O ATOM 856 CB SER A 54 -0.748 1.648 8.324 1.00 0.00 C ATOM 857 OG SER A 54 0.636 1.602 8.660 1.00 0.00 O ATOM 0 H SER A 54 -1.254 2.509 6.052 1.00 0.00 H new ATOM 0 HA SER A 54 -0.221 0.088 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.027 2.672 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.341 1.357 9.191 1.00 0.00 H new ATOM 0 HG SER A 54 0.810 2.203 9.415 1.00 0.00 H new ATOM 863 N ASP A 55 -3.470 0.451 7.330 1.00 0.00 N ATOM 864 CA ASP A 55 -4.707 -0.258 7.611 1.00 0.00 C ATOM 865 C ASP A 55 -4.681 -1.619 6.913 1.00 0.00 C ATOM 866 O ASP A 55 -4.776 -2.657 7.566 1.00 0.00 O ATOM 867 CB ASP A 55 -5.918 0.519 7.089 1.00 0.00 C ATOM 868 CG ASP A 55 -6.835 -0.269 6.151 1.00 0.00 C ATOM 869 OD1 ASP A 55 -7.761 -0.921 6.680 1.00 0.00 O ATOM 870 OD2 ASP A 55 -6.590 -0.201 4.928 1.00 0.00 O ATOM 0 H ASP A 55 -3.592 1.414 7.017 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.791 -0.373 8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.504 0.864 7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.563 1.407 6.565 1.00 0.00 H new ATOM 875 N PHE A 56 -4.552 -1.570 5.596 1.00 0.00 N ATOM 876 CA PHE A 56 -4.511 -2.786 4.802 1.00 0.00 C ATOM 877 C PHE A 56 -3.644 -3.852 5.474 1.00 0.00 C ATOM 878 O PHE A 56 -4.046 -5.009 5.579 1.00 0.00 O ATOM 879 CB PHE A 56 -3.892 -2.419 3.452 1.00 0.00 C ATOM 880 CG PHE A 56 -4.838 -1.660 2.519 1.00 0.00 C ATOM 881 CD1 PHE A 56 -4.954 -0.309 2.621 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.562 -2.337 1.587 1.00 0.00 C ATOM 883 CE1 PHE A 56 -5.832 0.395 1.755 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.439 -1.632 0.721 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.556 -0.281 0.823 1.00 0.00 C ATOM 0 H PHE A 56 -4.474 -0.707 5.058 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.517 -3.191 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.004 -1.811 3.624 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.563 -3.331 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.379 0.228 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.470 -3.410 1.506 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.925 1.468 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.014 -2.169 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.223 0.255 0.164 1.00 0.00 H new ATOM 895 N GLU A 57 -2.470 -3.423 5.914 1.00 0.00 N ATOM 896 CA GLU A 57 -1.542 -4.325 6.574 1.00 0.00 C ATOM 897 C GLU A 57 -2.239 -5.053 7.726 1.00 0.00 C ATOM 898 O GLU A 57 -2.054 -6.255 7.907 1.00 0.00 O ATOM 899 CB GLU A 57 -0.304 -3.575 7.068 1.00 0.00 C ATOM 900 CG GLU A 57 0.922 -3.922 6.221 1.00 0.00 C ATOM 901 CD GLU A 57 2.163 -4.094 7.099 1.00 0.00 C ATOM 902 OE1 GLU A 57 2.272 -3.333 8.084 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.976 -4.983 6.764 1.00 0.00 O ATOM 0 H GLU A 57 -2.140 -2.462 5.826 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.209 -5.067 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.485 -2.501 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.113 -3.828 8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.736 -4.840 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.097 -3.135 5.488 1.00 0.00 H new ATOM 910 N TRP A 58 -3.025 -4.293 8.474 1.00 0.00 N ATOM 911 CA TRP A 58 -3.750 -4.850 9.603 1.00 0.00 C ATOM 912 C TRP A 58 -4.774 -5.849 9.061 1.00 0.00 C ATOM 913 O TRP A 58 -4.923 -6.945 9.601 1.00 0.00 O ATOM 914 CB TRP A 58 -4.384 -3.744 10.448 1.00 0.00 C ATOM 915 CG TRP A 58 -5.363 -4.253 11.507 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.140 -4.443 12.815 1.00 0.00 C ATOM 917 CD2 TRP A 58 -6.740 -4.632 11.294 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.266 -4.915 13.457 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.270 -5.033 12.503 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.510 -4.635 10.118 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.593 -5.467 12.653 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -8.830 -5.072 10.285 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.379 -5.479 11.495 1.00 0.00 C ATOM 0 H TRP A 58 -3.176 -3.296 8.320 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.072 -5.376 10.275 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.593 -3.179 10.941 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.906 -3.051 9.788 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.197 -4.251 13.305 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.347 -5.137 14.449 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.115 -4.325 9.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -8.986 -5.776 13.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.466 -5.094 9.412 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.408 -5.803 11.542 1.00 0.00 H new ATOM 934 N LEU A 59 -5.453 -5.436 8.001 1.00 0.00 N ATOM 935 CA LEU A 59 -6.458 -6.281 7.380 1.00 0.00 C ATOM 936 C LEU A 59 -5.810 -7.593 6.933 1.00 0.00 C ATOM 937 O LEU A 59 -6.300 -8.674 7.259 1.00 0.00 O ATOM 938 CB LEU A 59 -7.167 -5.530 6.252 1.00 0.00 C ATOM 939 CG LEU A 59 -7.407 -6.322 4.965 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.562 -7.311 5.137 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.628 -5.384 3.777 1.00 0.00 C ATOM 0 H LEU A 59 -5.327 -4.527 7.556 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.236 -6.538 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.130 -5.180 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.580 -4.645 6.006 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.512 -6.906 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.712 -7.861 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.326 -8.011 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.473 -6.767 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.796 -5.973 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.497 -4.755 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.748 -4.755 3.641 1.00 0.00 H new ATOM 953 N LYS A 60 -4.719 -7.455 6.194 1.00 0.00 N ATOM 954 CA LYS A 60 -4.000 -8.616 5.699 1.00 0.00 C ATOM 955 C LYS A 60 -3.746 -9.585 6.855 1.00 0.00 C ATOM 956 O LYS A 60 -4.268 -10.699 6.863 1.00 0.00 O ATOM 957 CB LYS A 60 -2.727 -8.186 4.967 1.00 0.00 C ATOM 958 CG LYS A 60 -1.650 -9.269 5.056 1.00 0.00 C ATOM 959 CD LYS A 60 -0.409 -8.875 4.252 1.00 0.00 C ATOM 960 CE LYS A 60 0.061 -10.031 3.367 1.00 0.00 C ATOM 961 NZ LYS A 60 1.045 -10.869 4.088 1.00 0.00 N ATOM 0 H LYS A 60 -4.316 -6.557 5.926 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.600 -9.149 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.956 -7.981 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.351 -7.258 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.376 -9.430 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.046 -10.213 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.633 -8.006 3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.392 -8.584 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.793 -10.639 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.508 -9.639 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.748 -11.236 3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.525 -10.296 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.555 -11.664 4.545 1.00 0.00 H new ATOM 975 N ASN A 61 -2.944 -9.126 7.805 1.00 0.00 N ATOM 976 CA ASN A 61 -2.614 -9.938 8.964 1.00 0.00 C ATOM 977 C ASN A 61 -3.893 -10.565 9.522 1.00 0.00 C ATOM 978 O ASN A 61 -3.955 -11.775 9.733 1.00 0.00 O ATOM 979 CB ASN A 61 -1.982 -9.089 10.069 1.00 0.00 C ATOM 980 CG ASN A 61 -0.979 -9.909 10.884 1.00 0.00 C ATOM 981 OD1 ASN A 61 -0.029 -10.471 10.364 1.00 0.00 O ATOM 982 ND2 ASN A 61 -1.243 -9.946 12.187 1.00 0.00 N ATOM 0 H ASN A 61 -2.513 -8.202 7.796 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.906 -10.705 8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.480 -8.227 9.629 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.761 -8.703 10.726 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.633 -10.468 12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.056 -9.453 12.557 1.00 0.00 H new ATOM 989 N GLU A 62 -4.883 -9.713 9.746 1.00 0.00 N ATOM 990 CA GLU A 62 -6.157 -10.168 10.276 1.00 0.00 C ATOM 991 C GLU A 62 -6.567 -11.485 9.614 1.00 0.00 C ATOM 992 O GLU A 62 -7.252 -12.304 10.225 1.00 0.00 O ATOM 993 CB GLU A 62 -7.239 -9.102 10.094 1.00 0.00 C ATOM 994 CG GLU A 62 -7.538 -8.392 11.416 1.00 0.00 C ATOM 995 CD GLU A 62 -7.922 -9.397 12.503 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.756 -10.275 12.195 1.00 0.00 O ATOM 997 OE2 GLU A 62 -7.373 -9.263 13.619 1.00 0.00 O ATOM 0 H GLU A 62 -4.828 -8.710 9.570 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.042 -10.342 11.346 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.915 -8.373 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.149 -9.564 9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.664 -7.824 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.348 -7.677 11.274 1.00 0.00 H new ATOM 1004 N LEU A 63 -6.130 -11.648 8.374 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.444 -12.851 7.623 1.00 0.00 C ATOM 1006 C LEU A 63 -5.458 -13.957 8.004 1.00 0.00 C ATOM 1007 O LEU A 63 -5.859 -15.091 8.259 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.481 -12.552 6.123 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.516 -11.519 5.670 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.181 -10.981 4.278 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.931 -12.096 5.737 1.00 0.00 C ATOM 0 H LEU A 63 -5.561 -10.967 7.871 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.441 -13.209 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.494 -12.206 5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.671 -13.484 5.591 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.480 -10.674 6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.932 -10.249 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.200 -10.507 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.172 -11.803 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.647 -11.342 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.000 -12.968 5.086 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.156 -12.390 6.762 1.00 0.00 H new ATOM 1023 N GLU A 64 -4.185 -13.588 8.032 1.00 0.00 N ATOM 1024 CA GLU A 64 -3.139 -14.534 8.379 1.00 0.00 C ATOM 1025 C GLU A 64 -3.309 -15.009 9.823 1.00 0.00 C ATOM 1026 O GLU A 64 -3.048 -16.170 10.134 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.753 -13.923 8.163 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.519 -13.604 6.684 1.00 0.00 C ATOM 1029 CD GLU A 64 -0.175 -14.161 6.210 1.00 0.00 C ATOM 1030 OE1 GLU A 64 0.008 -15.390 6.341 1.00 0.00 O ATOM 1031 OE2 GLU A 64 0.639 -13.344 5.727 1.00 0.00 O ATOM 0 H GLU A 64 -3.855 -12.646 7.820 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.226 -15.398 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.657 -13.013 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.988 -14.615 8.515 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.325 -14.028 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.543 -12.525 6.533 1.00 0.00 H new ATOM 1107 N ILE A 69 -6.085 -18.147 4.305 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.414 -17.398 3.104 1.00 0.00 C ATOM 1109 C ILE A 69 -5.124 -16.890 2.455 1.00 0.00 C ATOM 1110 O ILE A 69 -4.152 -16.594 3.148 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.419 -16.289 3.422 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.778 -16.876 3.809 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.532 -15.300 2.260 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.871 -15.806 3.764 1.00 0.00 C ATOM 0 HA ILE A 69 -6.906 -18.043 2.376 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.051 -15.732 4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.033 -17.690 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.722 -17.302 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.253 -14.522 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.559 -14.846 2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.865 -15.826 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.827 -16.250 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.625 -15.005 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.941 -15.400 2.755 1.00 0.00 H new ATOM 1126 N VAL A 70 -5.158 -16.807 1.134 1.00 0.00 N ATOM 1127 CA VAL A 70 -4.004 -16.340 0.384 1.00 0.00 C ATOM 1128 C VAL A 70 -4.091 -14.822 0.213 1.00 0.00 C ATOM 1129 O VAL A 70 -4.819 -14.332 -0.648 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.908 -17.087 -0.948 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.791 -16.512 -1.820 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.711 -18.587 -0.723 1.00 0.00 C ATOM 0 H VAL A 70 -5.966 -17.055 0.563 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.084 -16.553 0.928 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.851 -16.949 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.744 -17.061 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.993 -15.460 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.838 -16.604 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.646 -19.094 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.791 -18.753 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.556 -18.984 -0.160 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.338 -14.121 1.048 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.321 -12.669 1.000 1.00 0.00 C ATOM 1144 C VAL A 71 -2.173 -12.206 0.101 1.00 0.00 C ATOM 1145 O VAL A 71 -1.058 -12.715 0.199 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.236 -12.100 2.418 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.547 -10.602 2.427 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -4.163 -12.858 3.370 1.00 0.00 C ATOM 0 H VAL A 71 -2.735 -14.531 1.761 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.247 -12.290 0.566 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.213 -12.232 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.480 -10.223 3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.829 -10.078 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.554 -10.437 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.083 -12.433 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.192 -12.773 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.875 -13.909 3.398 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.495 -11.220 -0.779 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.504 -10.682 -1.696 1.00 0.00 C ATOM 1160 C PRO A 72 -0.525 -9.760 -0.966 1.00 0.00 C ATOM 1161 O PRO A 72 -0.800 -9.312 0.146 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.308 -9.966 -2.769 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.685 -9.730 -2.170 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.805 -10.593 -0.924 1.00 0.00 C ATOM 0 HA PRO A 72 -0.876 -11.456 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.836 -9.024 -3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.374 -10.569 -3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.817 -8.677 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.463 -9.987 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.056 -9.993 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.591 -11.340 -1.034 1.00 0.00 H new ATOM 1172 N PRO A 73 0.626 -9.495 -1.639 1.00 0.00 N ATOM 1173 CA PRO A 73 1.647 -8.634 -1.067 1.00 0.00 C ATOM 1174 C PRO A 73 1.227 -7.164 -1.138 1.00 0.00 C ATOM 1175 O PRO A 73 0.557 -6.751 -2.083 1.00 0.00 O ATOM 1176 CB PRO A 73 2.906 -8.931 -1.865 1.00 0.00 C ATOM 1177 CG PRO A 73 2.437 -9.599 -3.148 1.00 0.00 C ATOM 1178 CD PRO A 73 0.986 -10.007 -2.958 1.00 0.00 C ATOM 0 HA PRO A 73 1.811 -8.824 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.457 -8.016 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.577 -9.584 -1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.534 -8.916 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.052 -10.470 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.350 -9.582 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.869 -11.090 -3.008 1.00 0.00 H new ATOM 1186 N LEU A 74 1.639 -6.415 -0.126 1.00 0.00 N ATOM 1187 CA LEU A 74 1.314 -5.000 -0.061 1.00 0.00 C ATOM 1188 C LEU A 74 2.453 -4.191 -0.686 1.00 0.00 C ATOM 1189 O LEU A 74 3.606 -4.619 -0.669 1.00 0.00 O ATOM 1190 CB LEU A 74 0.985 -4.591 1.376 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.412 -4.963 1.876 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.441 -5.056 3.402 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.464 -3.989 1.340 1.00 0.00 C ATOM 0 H LEU A 74 2.195 -6.761 0.656 1.00 0.00 H new ATOM 0 HA LEU A 74 0.416 -4.788 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.720 -5.046 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.104 -3.511 1.462 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.662 -5.951 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.446 -5.322 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.263 -5.819 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.161 -4.094 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.448 -4.276 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.230 -2.979 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.464 -4.017 0.250 1.00 0.00 H new ATOM 1205 N PRO A 75 2.080 -3.005 -1.237 1.00 0.00 N ATOM 1206 CA PRO A 75 3.057 -2.132 -1.865 1.00 0.00 C ATOM 1207 C PRO A 75 3.909 -1.416 -0.815 1.00 0.00 C ATOM 1208 O PRO A 75 3.642 -0.265 -0.474 1.00 0.00 O ATOM 1209 CB PRO A 75 2.239 -1.176 -2.719 1.00 0.00 C ATOM 1210 CG PRO A 75 0.819 -1.247 -2.179 1.00 0.00 C ATOM 1211 CD PRO A 75 0.724 -2.465 -1.276 1.00 0.00 C ATOM 0 HA PRO A 75 3.775 -2.677 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.631 -0.161 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.272 -1.464 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.576 -0.341 -1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.103 -1.322 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.378 -2.193 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.018 -3.196 -1.670 1.00 0.00 H new ATOM 1219 N GLY A 76 4.917 -2.127 -0.332 1.00 0.00 N ATOM 1220 CA GLY A 76 5.809 -1.574 0.672 1.00 0.00 C ATOM 1221 C GLY A 76 7.243 -2.067 0.463 1.00 0.00 C ATOM 1222 O GLY A 76 7.577 -3.191 0.834 1.00 0.00 O ATOM 0 H GLY A 76 5.136 -3.081 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.785 -0.485 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.464 -1.858 1.666 1.00 0.00 H new ATOM 1512 N GLU A 94 3.824 12.460 -6.335 1.00 0.00 N ATOM 1513 CA GLU A 94 2.710 11.911 -7.090 1.00 0.00 C ATOM 1514 C GLU A 94 2.923 10.417 -7.340 1.00 0.00 C ATOM 1515 O GLU A 94 2.044 9.604 -7.056 1.00 0.00 O ATOM 1516 CB GLU A 94 2.514 12.665 -8.406 1.00 0.00 C ATOM 1517 CG GLU A 94 1.677 13.929 -8.196 1.00 0.00 C ATOM 1518 CD GLU A 94 1.618 14.767 -9.474 1.00 0.00 C ATOM 1519 OE1 GLU A 94 0.867 14.357 -10.386 1.00 0.00 O ATOM 1520 OE2 GLU A 94 2.324 15.797 -9.511 1.00 0.00 O ATOM 0 HA GLU A 94 1.802 12.035 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.485 12.933 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.023 12.016 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.667 13.654 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.104 14.522 -7.388 1.00 0.00 H new ATOM 1527 N SER A 95 4.096 10.100 -7.869 1.00 0.00 N ATOM 1528 CA SER A 95 4.436 8.718 -8.161 1.00 0.00 C ATOM 1529 C SER A 95 4.178 7.844 -6.931 1.00 0.00 C ATOM 1530 O SER A 95 3.387 6.904 -6.988 1.00 0.00 O ATOM 1531 CB SER A 95 5.895 8.591 -8.605 1.00 0.00 C ATOM 1532 OG SER A 95 6.005 8.146 -9.954 1.00 0.00 O ATOM 0 H SER A 95 4.823 10.777 -8.103 1.00 0.00 H new ATOM 0 HA SER A 95 3.804 8.377 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.391 9.556 -8.500 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.414 7.892 -7.949 1.00 0.00 H new ATOM 0 HG SER A 95 6.951 8.079 -10.200 1.00 0.00 H new ATOM 1538 N PHE A 96 4.861 8.187 -5.848 1.00 0.00 N ATOM 1539 CA PHE A 96 4.716 7.446 -4.607 1.00 0.00 C ATOM 1540 C PHE A 96 3.240 7.246 -4.257 1.00 0.00 C ATOM 1541 O PHE A 96 2.835 6.155 -3.859 1.00 0.00 O ATOM 1542 CB PHE A 96 5.380 8.278 -3.509 1.00 0.00 C ATOM 1543 CG PHE A 96 5.245 7.680 -2.107 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.742 6.442 -1.845 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.628 8.387 -1.123 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.617 5.887 -0.544 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.502 7.832 0.179 1.00 0.00 C ATOM 1548 CZ PHE A 96 5.000 6.594 0.440 1.00 0.00 C ATOM 0 H PHE A 96 5.516 8.968 -5.805 1.00 0.00 H new ATOM 0 HA PHE A 96 5.175 6.462 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.438 8.392 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.944 9.277 -3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.232 5.880 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.234 9.371 -1.331 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.012 4.904 -0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.011 8.393 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.905 6.172 1.430 1.00 0.00 H new ATOM 1558 N ILE A 97 2.477 8.317 -4.418 1.00 0.00 N ATOM 1559 CA ILE A 97 1.054 8.273 -4.124 1.00 0.00 C ATOM 1560 C ILE A 97 0.384 7.233 -5.024 1.00 0.00 C ATOM 1561 O ILE A 97 -0.211 6.274 -4.534 1.00 0.00 O ATOM 1562 CB ILE A 97 0.441 9.670 -4.236 1.00 0.00 C ATOM 1563 CG1 ILE A 97 0.774 10.515 -3.005 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -1.067 9.588 -4.484 1.00 0.00 C ATOM 1565 CD1 ILE A 97 0.714 12.008 -3.333 1.00 0.00 C ATOM 0 H ILE A 97 2.817 9.220 -4.748 1.00 0.00 H new ATOM 0 HA ILE A 97 0.887 7.958 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 97 0.883 10.169 -5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.073 10.287 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.769 10.258 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.479 10.594 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.254 9.049 -5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.544 9.062 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.955 12.586 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.433 12.237 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.289 12.266 -3.673 1.00 0.00 H new ATOM 1577 N GLU A 98 0.502 7.457 -6.324 1.00 0.00 N ATOM 1578 CA GLU A 98 -0.085 6.552 -7.297 1.00 0.00 C ATOM 1579 C GLU A 98 0.334 5.110 -7.000 1.00 0.00 C ATOM 1580 O GLU A 98 -0.510 4.220 -6.914 1.00 0.00 O ATOM 1581 CB GLU A 98 0.301 6.952 -8.722 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.930 7.003 -9.629 1.00 0.00 C ATOM 1583 CD GLU A 98 -0.920 8.262 -10.498 1.00 0.00 C ATOM 1584 OE1 GLU A 98 0.171 8.586 -11.015 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -2.003 8.873 -10.624 1.00 0.00 O ATOM 0 H GLU A 98 0.996 8.253 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.170 6.619 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.789 7.926 -8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.022 6.239 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.954 6.118 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.835 6.984 -9.021 1.00 0.00 H new ATOM 1592 N GLU A 99 1.638 4.925 -6.853 1.00 0.00 N ATOM 1593 CA GLU A 99 2.179 3.607 -6.568 1.00 0.00 C ATOM 1594 C GLU A 99 1.343 2.911 -5.491 1.00 0.00 C ATOM 1595 O GLU A 99 0.750 1.863 -5.741 1.00 0.00 O ATOM 1596 CB GLU A 99 3.648 3.696 -6.149 1.00 0.00 C ATOM 1597 CG GLU A 99 4.513 2.746 -6.980 1.00 0.00 C ATOM 1598 CD GLU A 99 5.296 1.788 -6.079 1.00 0.00 C ATOM 1599 OE1 GLU A 99 4.640 0.907 -5.483 1.00 0.00 O ATOM 1600 OE2 GLU A 99 6.532 1.960 -6.006 1.00 0.00 O ATOM 0 H GLU A 99 2.335 5.666 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 99 2.131 3.011 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.004 4.719 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.744 3.450 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.882 2.176 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.206 3.322 -7.594 1.00 0.00 H new ATOM 1607 N ARG A 100 1.323 3.523 -4.316 1.00 0.00 N ATOM 1608 CA ARG A 100 0.569 2.976 -3.201 1.00 0.00 C ATOM 1609 C ARG A 100 -0.917 2.889 -3.555 1.00 0.00 C ATOM 1610 O ARG A 100 -1.592 1.929 -3.186 1.00 0.00 O ATOM 1611 CB ARG A 100 0.738 3.836 -1.947 1.00 0.00 C ATOM 1612 CG ARG A 100 0.943 2.964 -0.707 1.00 0.00 C ATOM 1613 CD ARG A 100 1.717 3.721 0.374 1.00 0.00 C ATOM 1614 NE ARG A 100 2.579 2.785 1.130 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.317 3.134 2.192 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.304 4.400 2.631 1.00 0.00 N ATOM 1617 NH2 ARG A 100 4.069 2.217 2.816 1.00 0.00 N ATOM 0 H ARG A 100 1.817 4.392 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 100 0.956 1.977 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.591 4.503 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.142 4.465 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.024 2.651 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.485 2.058 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.326 4.501 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.021 4.216 1.052 1.00 0.00 H new ATOM 0 HE ARG A 100 2.613 1.813 0.823 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.732 5.098 2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.866 4.665 3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.079 1.253 2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 100 4.631 2.483 3.625 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.383 3.905 -4.266 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.776 3.956 -4.675 1.00 0.00 C ATOM 1633 C ARG A 101 -3.141 2.703 -5.473 1.00 0.00 C ATOM 1634 O ARG A 101 -3.887 1.852 -4.992 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.055 5.195 -5.528 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.233 5.994 -4.965 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.171 7.454 -5.419 1.00 0.00 C ATOM 1638 NE ARG A 101 -4.547 7.557 -6.846 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.215 8.585 -7.639 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -3.498 9.605 -7.147 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -4.600 8.594 -8.922 1.00 0.00 N ATOM 0 H ARG A 101 -0.820 4.700 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.385 4.006 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.166 5.825 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.272 4.894 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.171 5.547 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.222 5.947 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -4.843 8.061 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.165 7.847 -5.270 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.094 6.798 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.206 9.598 -6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.245 10.388 -7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.146 7.818 -9.296 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.347 9.377 -9.525 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.599 2.630 -6.679 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.858 1.495 -7.549 1.00 0.00 C ATOM 1657 C GLN A 102 -2.497 0.189 -6.839 1.00 0.00 C ATOM 1658 O GLN A 102 -3.267 -0.770 -6.866 1.00 0.00 O ATOM 1659 CB GLN A 102 -2.097 1.630 -8.869 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.756 2.670 -9.778 1.00 0.00 C ATOM 1661 CD GLN A 102 -2.287 2.508 -11.226 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.780 1.682 -11.976 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -1.311 3.341 -11.574 1.00 0.00 N ATOM 0 H GLN A 102 -1.981 3.338 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.923 1.477 -7.782 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -1.065 1.918 -8.670 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.067 0.666 -9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.840 2.566 -9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.515 3.672 -9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.944 4.008 -10.896 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.929 3.313 -12.519 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.326 0.193 -6.220 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.853 -0.979 -5.504 1.00 0.00 C ATOM 1674 C GLY A 103 -1.953 -1.558 -4.612 1.00 0.00 C ATOM 1675 O GLY A 103 -2.351 -2.710 -4.779 1.00 0.00 O ATOM 0 H GLY A 103 -0.690 0.990 -6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.522 -1.735 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.011 -0.713 -4.895 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.414 -0.732 -3.685 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.461 -1.147 -2.766 1.00 0.00 C ATOM 1681 C LEU A 104 -4.658 -1.667 -3.565 1.00 0.00 C ATOM 1682 O LEU A 104 -5.029 -2.834 -3.446 1.00 0.00 O ATOM 1683 CB LEU A 104 -3.811 -0.011 -1.804 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.717 0.390 -0.813 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.075 1.695 -0.100 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.430 -0.743 0.175 1.00 0.00 C ATOM 0 H LEU A 104 -2.082 0.223 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.114 -1.969 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.080 0.866 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.697 -0.300 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.799 0.570 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.281 1.958 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.190 2.492 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.010 1.567 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.649 -0.432 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.337 -0.978 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.100 -1.627 -0.371 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.229 -0.776 -4.363 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.376 -1.130 -5.181 1.00 0.00 C ATOM 1700 C GLU A 105 -6.210 -2.544 -5.744 1.00 0.00 C ATOM 1701 O GLU A 105 -7.122 -3.364 -5.648 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.582 -0.114 -6.306 1.00 0.00 C ATOM 1703 CG GLU A 105 -8.067 0.047 -6.635 1.00 0.00 C ATOM 1704 CD GLU A 105 -8.278 0.250 -8.136 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -8.190 -0.762 -8.864 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.521 1.414 -8.523 1.00 0.00 O ATOM 0 H GLU A 105 -4.918 0.191 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.266 -1.112 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.165 0.849 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.042 -0.437 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.614 -0.836 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.474 0.898 -6.089 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.041 -2.785 -6.318 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.744 -4.085 -6.895 1.00 0.00 C ATOM 1715 C GLN A 106 -4.862 -5.178 -5.831 1.00 0.00 C ATOM 1716 O GLN A 106 -5.624 -6.129 -5.995 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.357 -4.095 -7.541 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.462 -4.069 -9.067 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.465 -5.042 -9.701 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.221 -6.130 -9.207 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -1.906 -4.590 -10.820 1.00 0.00 N ATOM 0 H GLN A 106 -4.288 -2.102 -6.396 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.474 -4.288 -7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.786 -3.232 -7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.812 -4.984 -7.226 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.475 -4.332 -9.370 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.272 -3.059 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.156 -3.668 -11.179 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.227 -5.165 -11.319 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.096 -5.005 -4.764 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.105 -5.965 -3.673 1.00 0.00 C ATOM 1732 C PHE A 107 -5.537 -6.320 -3.267 1.00 0.00 C ATOM 1733 O PHE A 107 -5.922 -7.488 -3.294 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.401 -5.301 -2.488 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.785 -5.888 -1.128 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.859 -5.395 -0.453 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.053 -6.902 -0.594 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.215 -5.940 0.809 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.410 -7.447 0.668 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.483 -6.955 1.343 1.00 0.00 C ATOM 0 H PHE A 107 -3.465 -4.215 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.605 -6.883 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.323 -5.393 -2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.633 -4.236 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.440 -4.590 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.200 -7.293 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.067 -5.549 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.829 -8.253 1.092 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.754 -7.370 2.303 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.287 -5.291 -2.901 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.667 -5.480 -2.490 1.00 0.00 C ATOM 1752 C ILE A 108 -8.464 -6.078 -3.651 1.00 0.00 C ATOM 1753 O ILE A 108 -9.304 -6.953 -3.447 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.251 -4.171 -1.954 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.586 -4.414 -1.248 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.373 -3.129 -3.067 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.370 -4.793 0.219 1.00 0.00 C ATOM 0 H ILE A 108 -5.965 -4.324 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.724 -6.190 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.562 -3.769 -1.211 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.202 -3.517 -1.309 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.131 -5.210 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.791 -2.208 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.387 -2.926 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.028 -3.509 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.335 -4.960 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.774 -5.704 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.847 -3.985 0.730 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.171 -5.583 -4.845 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.849 -6.057 -6.039 1.00 0.00 C ATOM 1771 C ASN A 109 -8.766 -7.584 -6.094 1.00 0.00 C ATOM 1772 O ASN A 109 -9.758 -8.253 -6.380 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.190 -5.502 -7.304 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.088 -4.462 -7.977 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.824 -4.749 -8.907 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -8.985 -3.242 -7.459 1.00 0.00 N ATOM 0 H ASN A 109 -7.473 -4.858 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.885 -5.721 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.231 -5.051 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.986 -6.316 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.542 -2.477 -7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.349 -3.071 -6.680 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.574 -8.091 -5.817 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.349 -9.526 -5.831 1.00 0.00 C ATOM 1785 C LYS A 110 -7.878 -10.134 -4.531 1.00 0.00 C ATOM 1786 O LYS A 110 -8.461 -11.217 -4.540 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.874 -9.835 -6.099 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.687 -10.458 -7.484 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.900 -11.767 -7.394 1.00 0.00 C ATOM 1790 CE LYS A 110 -4.209 -12.084 -8.721 1.00 0.00 C ATOM 1791 NZ LYS A 110 -5.017 -13.041 -9.511 1.00 0.00 N ATOM 0 H LYS A 110 -6.753 -7.533 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.902 -9.990 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.288 -8.919 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.497 -10.516 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.661 -10.645 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.162 -9.758 -8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.156 -11.694 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.572 -12.582 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.063 -11.166 -9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.221 -12.503 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.533 -13.245 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.135 -13.923 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.951 -12.628 -9.707 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.657 -9.411 -3.444 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.104 -9.865 -2.138 1.00 0.00 C ATOM 1807 C ILE A 111 -9.616 -10.096 -2.174 1.00 0.00 C ATOM 1808 O ILE A 111 -10.095 -11.160 -1.785 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.656 -8.889 -1.048 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.854 -9.609 0.037 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.851 -8.129 -0.469 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.749 -9.991 1.218 1.00 0.00 C ATOM 0 H ILE A 111 -7.174 -8.513 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.641 -10.819 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.994 -8.151 -1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.394 -10.505 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.044 -8.966 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.506 -7.442 0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.343 -7.566 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.557 -8.837 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.154 -10.502 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.188 -9.091 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.543 -10.653 0.873 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.326 -9.081 -2.644 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.774 -9.160 -2.735 1.00 0.00 C ATOM 1826 C ALA A 112 -12.164 -10.420 -3.509 1.00 0.00 C ATOM 1827 O ALA A 112 -12.941 -11.239 -3.019 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.315 -7.885 -3.387 1.00 0.00 C ATOM 0 H ALA A 112 -9.926 -8.200 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.217 -9.232 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.401 -7.944 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.036 -7.021 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.894 -7.781 -4.387 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.608 -10.538 -4.706 1.00 0.00 N ATOM 1835 CA GLY A 113 -11.887 -11.685 -5.552 1.00 0.00 C ATOM 1836 C GLY A 113 -11.924 -12.976 -4.731 1.00 0.00 C ATOM 1837 O GLY A 113 -12.752 -13.851 -4.981 1.00 0.00 O ATOM 0 H GLY A 113 -10.965 -9.857 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.842 -11.544 -6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.124 -11.764 -6.327 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.018 -13.053 -3.768 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.936 -14.222 -2.909 1.00 0.00 C ATOM 1843 C HIS A 114 -12.325 -14.550 -2.356 1.00 0.00 C ATOM 1844 O HIS A 114 -13.042 -13.660 -1.902 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.893 -14.017 -1.809 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.185 -15.283 -1.389 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.699 -16.149 -0.440 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -8.001 -15.820 -1.800 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.853 -17.158 -0.293 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.801 -16.952 -1.136 1.00 0.00 N ATOM 0 H HIS A 114 -10.334 -12.325 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.601 -15.082 -3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.152 -13.296 -2.155 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.380 -13.579 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.338 -15.396 -2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.975 -17.996 0.377 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.993 -17.567 -1.239 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.670 -15.864 -2.412 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.959 -16.321 -1.922 1.00 0.00 C ATOM 1860 C PRO A 115 -13.988 -16.344 -0.393 1.00 0.00 C ATOM 1861 O PRO A 115 -14.953 -15.892 0.221 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.151 -17.696 -2.541 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.768 -18.154 -2.975 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.845 -16.946 -2.942 1.00 0.00 C ATOM 0 HA PRO A 115 -14.775 -15.655 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.585 -18.391 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.832 -17.650 -3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.399 -18.935 -2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.804 -18.580 -3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.977 -17.128 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.470 -16.707 -3.937 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.917 -16.875 0.179 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.807 -16.963 1.625 1.00 0.00 C ATOM 1874 C LEU A 116 -12.928 -15.562 2.228 1.00 0.00 C ATOM 1875 O LEU A 116 -13.531 -15.387 3.286 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.523 -17.694 2.022 1.00 0.00 C ATOM 1877 CG LEU A 116 -11.269 -19.031 1.322 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -10.292 -19.892 2.124 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.583 -19.762 1.043 1.00 0.00 C ATOM 0 H LEU A 116 -12.118 -17.249 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.624 -17.558 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.677 -17.036 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.545 -17.868 3.098 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.803 -18.829 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.129 -20.836 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.343 -19.366 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.707 -20.088 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.374 -20.709 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.100 -19.953 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.213 -19.146 0.401 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.346 -14.599 1.528 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.381 -13.219 1.980 1.00 0.00 C ATOM 1893 C ALA A 117 -13.806 -12.679 1.846 1.00 0.00 C ATOM 1894 O ALA A 117 -14.330 -12.062 2.772 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.368 -12.395 1.184 1.00 0.00 C ATOM 0 H ALA A 117 -11.847 -14.748 0.651 1.00 0.00 H new ATOM 0 HA ALA A 117 -12.101 -13.152 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.394 -11.359 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.368 -12.801 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.618 -12.436 0.124 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.393 -12.930 0.685 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.747 -12.477 0.417 1.00 0.00 C ATOM 1903 C GLN A 118 -16.664 -12.821 1.593 1.00 0.00 C ATOM 1904 O GLN A 118 -17.695 -12.178 1.790 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.279 -13.076 -0.886 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.757 -12.302 -2.098 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.115 -13.019 -3.402 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -16.877 -13.971 -3.428 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.526 -12.508 -4.479 1.00 0.00 N ATOM 0 H GLN A 118 -13.955 -13.442 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.730 -11.394 0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.978 -14.121 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.369 -13.058 -0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.181 -11.298 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.675 -12.191 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.898 -11.709 -4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.702 -12.915 -5.398 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.256 -13.833 2.344 1.00 0.00 N ATOM 1919 CA ASN A 119 -17.028 -14.270 3.495 1.00 0.00 C ATOM 1920 C ASN A 119 -16.536 -13.535 4.743 1.00 0.00 C ATOM 1921 O ASN A 119 -17.333 -13.156 5.599 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.860 -15.772 3.733 1.00 0.00 C ATOM 1923 CG ASN A 119 -18.029 -16.557 3.135 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.226 -16.608 1.932 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -18.792 -17.163 4.040 1.00 0.00 N ATOM 0 H ASN A 119 -15.401 -14.363 2.178 1.00 0.00 H new ATOM 0 HA ASN A 119 -18.078 -14.051 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.924 -16.112 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.795 -15.969 4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.599 -17.712 3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -18.571 -17.079 5.032 1.00 0.00 H new ATOM 1932 N GLU A 120 -15.224 -13.356 4.806 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.616 -12.673 5.935 1.00 0.00 C ATOM 1934 C GLU A 120 -15.328 -11.345 6.199 1.00 0.00 C ATOM 1935 O GLU A 120 -15.686 -10.632 5.262 1.00 0.00 O ATOM 1936 CB GLU A 120 -13.119 -12.457 5.703 1.00 0.00 C ATOM 1937 CG GLU A 120 -12.338 -13.755 5.913 1.00 0.00 C ATOM 1938 CD GLU A 120 -12.593 -14.329 7.308 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.901 -13.874 8.245 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -13.475 -15.209 7.407 1.00 0.00 O ATOM 0 H GLU A 120 -14.566 -13.672 4.094 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.726 -13.303 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.954 -12.089 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.749 -11.691 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.628 -14.485 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -11.272 -13.568 5.782 1.00 0.00 H new ATOM 1947 N ARG A 121 -15.513 -11.053 7.478 1.00 0.00 N ATOM 1948 CA ARG A 121 -16.176 -9.823 7.876 1.00 0.00 C ATOM 1949 C ARG A 121 -15.164 -8.679 7.962 1.00 0.00 C ATOM 1950 O ARG A 121 -15.428 -7.575 7.488 1.00 0.00 O ATOM 1951 CB ARG A 121 -16.869 -9.985 9.231 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.686 -8.740 9.581 1.00 0.00 C ATOM 1953 CD ARG A 121 -19.155 -8.922 9.197 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.995 -7.948 9.931 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.043 -6.639 9.652 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -19.300 -6.138 8.655 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -20.833 -5.829 10.371 1.00 0.00 N ATOM 0 H ARG A 121 -15.215 -11.647 8.252 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.928 -9.592 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.521 -10.858 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.124 -10.165 10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.608 -8.538 10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.276 -7.874 9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.278 -8.784 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.476 -9.938 9.427 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.573 -8.296 10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -18.698 -6.754 8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -19.337 -5.141 8.443 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -21.397 -6.210 11.131 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -20.870 -4.832 10.159 1.00 0.00 H new ATOM 1971 N CYS A 122 -14.027 -8.981 8.571 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.974 -7.991 8.726 1.00 0.00 C ATOM 1973 C CYS A 122 -12.834 -7.230 7.406 1.00 0.00 C ATOM 1974 O CYS A 122 -12.612 -6.020 7.405 1.00 0.00 O ATOM 1975 CB CYS A 122 -11.654 -8.632 9.158 1.00 0.00 C ATOM 1976 SG CYS A 122 -11.167 -9.930 7.963 1.00 0.00 S ATOM 0 H CYS A 122 -13.811 -9.898 8.963 1.00 0.00 H new ATOM 0 HA CYS A 122 -13.240 -7.294 9.521 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.875 -7.872 9.220 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -11.758 -9.063 10.153 1.00 0.00 H new ATOM 0 HG CYS A 122 -10.044 -10.466 8.338 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.968 -7.969 6.315 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.859 -7.379 4.993 1.00 0.00 C ATOM 1984 C LEU A 123 -13.922 -6.289 4.836 1.00 0.00 C ATOM 1985 O LEU A 123 -13.594 -5.123 4.620 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.927 -8.462 3.915 1.00 0.00 C ATOM 1987 CG LEU A 123 -13.229 -7.979 2.495 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.961 -7.465 1.809 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.920 -9.073 1.678 1.00 0.00 C ATOM 0 H LEU A 123 -13.151 -8.972 6.320 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.888 -6.899 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.975 -8.993 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.691 -9.184 4.202 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.922 -7.140 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -12.204 -7.128 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.550 -6.633 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.225 -8.268 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -14.123 -8.703 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.272 -9.947 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.858 -9.349 2.160 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.174 -6.707 4.951 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.286 -5.781 4.826 1.00 0.00 C ATOM 2003 C HIS A 124 -16.069 -4.588 5.758 1.00 0.00 C ATOM 2004 O HIS A 124 -16.103 -3.439 5.321 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.617 -6.494 5.075 1.00 0.00 C ATOM 2006 CG HIS A 124 -17.914 -7.601 4.092 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -17.868 -8.957 4.236 1.00 0.00 N flip ATOM 2008 CD2 HIS A 124 -18.310 -7.360 2.788 1.00 0.00 C flip ATOM 2009 CE1 HIS A 124 -18.218 -9.514 3.083 1.00 0.00 C flip ATOM 2010 NE2 HIS A 124 -18.492 -8.525 2.184 1.00 0.00 N flip ATOM 0 H HIS A 124 -15.443 -7.675 5.129 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.331 -5.397 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.612 -6.909 6.083 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.423 -5.761 5.036 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -17.609 -9.458 5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -18.447 -6.387 2.339 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -18.276 -10.575 2.889 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -18.786 -8.659 1.216 1.00 0.00 H new ATOM 2018 N MET A 125 -15.852 -4.902 7.027 1.00 0.00 N ATOM 2019 CA MET A 125 -15.629 -3.870 8.026 1.00 0.00 C ATOM 2020 C MET A 125 -14.643 -2.817 7.516 1.00 0.00 C ATOM 2021 O MET A 125 -14.966 -1.631 7.466 1.00 0.00 O ATOM 2022 CB MET A 125 -15.081 -4.506 9.304 1.00 0.00 C ATOM 2023 CG MET A 125 -15.622 -3.795 10.546 1.00 0.00 C ATOM 2024 SD MET A 125 -14.279 -3.384 11.648 1.00 0.00 S ATOM 2025 CE MET A 125 -13.583 -5.008 11.908 1.00 0.00 C ATOM 0 H MET A 125 -15.826 -5.856 7.386 1.00 0.00 H new ATOM 0 HA MET A 125 -16.580 -3.380 8.233 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.355 -5.561 9.336 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.992 -4.460 9.299 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.154 -2.889 10.254 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.340 -4.435 11.058 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.133 -5.057 12.900 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.370 -5.758 11.830 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.820 -5.202 11.154 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.460 -3.288 7.150 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.425 -2.402 6.645 1.00 0.00 C ATOM 2037 C PHE A 126 -12.961 -1.519 5.517 1.00 0.00 C ATOM 2038 O PHE A 126 -12.591 -0.351 5.409 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.306 -3.289 6.095 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.364 -2.572 5.125 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.931 -1.314 5.403 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -9.959 -3.195 3.986 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -9.057 -0.648 4.504 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.085 -2.529 3.086 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.652 -1.271 3.364 1.00 0.00 C ATOM 0 H PHE A 126 -13.195 -4.272 7.193 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.072 -1.750 7.444 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -10.723 -3.680 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -11.751 -4.145 5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -10.252 -0.821 6.308 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.302 -4.195 3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -8.714 0.352 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -8.764 -3.022 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.986 -0.766 2.680 1.00 0.00 H new ATOM 2055 N LEU A 127 -13.825 -2.110 4.705 1.00 0.00 N ATOM 2056 CA LEU A 127 -14.416 -1.392 3.589 1.00 0.00 C ATOM 2057 C LEU A 127 -15.620 -0.589 4.085 1.00 0.00 C ATOM 2058 O LEU A 127 -15.481 0.571 4.471 1.00 0.00 O ATOM 2059 CB LEU A 127 -14.747 -2.354 2.447 1.00 0.00 C ATOM 2060 CG LEU A 127 -13.565 -3.124 1.854 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.047 -4.274 0.969 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -12.618 -2.183 1.106 1.00 0.00 C ATOM 0 H LEU A 127 -14.130 -3.079 4.798 1.00 0.00 H new ATOM 0 HA LEU A 127 -13.704 -0.678 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -15.481 -3.075 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.223 -1.787 1.647 1.00 0.00 H new ATOM 0 HG LEU A 127 -12.999 -3.566 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.187 -4.804 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.649 -4.962 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.649 -3.877 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -11.787 -2.755 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.157 -1.693 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.234 -1.430 1.794 1.00 0.00 H new ATOM 2074 N GLN A 128 -16.775 -1.238 4.060 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.002 -0.599 4.502 1.00 0.00 C ATOM 2076 C GLN A 128 -17.725 0.312 5.699 1.00 0.00 C ATOM 2077 O GLN A 128 -17.666 1.533 5.554 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.071 -1.640 4.842 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.548 -2.368 3.584 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.478 -3.529 3.941 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.957 -3.654 5.055 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.705 -4.369 2.935 1.00 0.00 N ATOM 0 H GLN A 128 -16.886 -2.200 3.740 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.384 0.013 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -18.668 -2.361 5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -19.917 -1.153 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -20.069 -1.668 2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.688 -2.744 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.272 -4.205 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.313 -5.177 3.072 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.561 -0.315 6.855 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.291 0.425 8.076 1.00 0.00 C ATOM 2093 C GLU A 129 -15.995 1.226 7.936 1.00 0.00 C ATOM 2094 O GLU A 129 -15.047 0.773 7.297 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.227 -0.514 9.283 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.631 -0.884 9.765 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.847 -0.442 11.213 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -18.209 -1.056 12.095 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.646 0.500 11.406 1.00 0.00 O ATOM 0 H GLU A 129 -17.610 -1.327 6.972 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.111 1.124 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.680 -1.418 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.675 -0.035 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.376 -0.414 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.775 -1.961 9.684 1.00 0.00 H new ATOM 2106 N GLU A 130 -15.997 2.404 8.543 1.00 0.00 N ATOM 2107 CA GLU A 130 -14.833 3.273 8.493 1.00 0.00 C ATOM 2108 C GLU A 130 -13.796 2.830 9.527 1.00 0.00 C ATOM 2109 O GLU A 130 -12.770 2.251 9.173 1.00 0.00 O ATOM 2110 CB GLU A 130 -15.231 4.735 8.707 1.00 0.00 C ATOM 2111 CG GLU A 130 -14.020 5.580 9.109 1.00 0.00 C ATOM 2112 CD GLU A 130 -14.133 7.000 8.550 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -14.428 7.112 7.340 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -13.922 7.941 9.345 1.00 0.00 O ATOM 0 H GLU A 130 -16.786 2.777 9.072 1.00 0.00 H new ATOM 0 HA GLU A 130 -14.386 3.194 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.670 5.134 7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -15.996 4.798 9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -13.943 5.618 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -13.107 5.112 8.741 1.00 0.00 H new ATOM 2121 N ALA A 131 -14.098 3.120 10.784 1.00 0.00 N ATOM 2122 CA ALA A 131 -13.205 2.759 11.871 1.00 0.00 C ATOM 2123 C ALA A 131 -13.248 1.244 12.079 1.00 0.00 C ATOM 2124 O ALA A 131 -14.317 0.673 12.289 1.00 0.00 O ATOM 2125 CB ALA A 131 -13.596 3.532 13.132 1.00 0.00 C ATOM 0 H ALA A 131 -14.949 3.601 11.074 1.00 0.00 H new ATOM 0 HA ALA A 131 -12.177 3.029 11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.926 3.261 13.948 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -13.520 4.602 12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.621 3.284 13.407 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.073 0.636 12.013 1.00 0.00 N ATOM 2132 CA ILE A 132 -11.963 -0.802 12.192 1.00 0.00 C ATOM 2133 C ILE A 132 -11.883 -1.121 13.686 1.00 0.00 C ATOM 2134 O ILE A 132 -10.882 -0.822 14.336 1.00 0.00 O ATOM 2135 CB ILE A 132 -10.788 -1.354 11.382 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -11.207 -1.648 9.940 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -10.181 -2.582 12.064 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -9.985 -1.890 9.052 1.00 0.00 C ATOM 0 H ILE A 132 -11.188 1.113 11.838 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.851 -1.303 11.806 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.011 -0.590 11.343 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -11.856 -2.523 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -11.786 -0.812 9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.348 -2.955 11.468 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -9.823 -2.307 13.056 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.939 -3.360 12.154 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.311 -2.097 8.033 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -9.350 -1.004 9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -9.422 -2.742 9.432 1.00 0.00 H new ATOM 2150 N ASP A 133 -12.951 -1.724 14.188 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.014 -2.087 15.593 1.00 0.00 C ATOM 2152 C ASP A 133 -12.055 -3.249 15.859 1.00 0.00 C ATOM 2153 O ASP A 133 -12.240 -4.345 15.331 1.00 0.00 O ATOM 2154 CB ASP A 133 -14.424 -2.539 15.982 1.00 0.00 C ATOM 2155 CG ASP A 133 -14.587 -2.961 17.444 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -13.714 -2.569 18.248 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -15.581 -3.665 17.723 1.00 0.00 O ATOM 0 H ASP A 133 -13.780 -1.970 13.646 1.00 0.00 H new ATOM 0 HA ASP A 133 -12.741 -1.210 16.180 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.120 -1.726 15.774 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.710 -3.375 15.344 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.051 -2.970 16.678 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.063 -3.979 17.020 1.00 0.00 C ATOM 2164 C ARG A 134 -10.594 -4.886 18.131 1.00 0.00 C ATOM 2165 O ARG A 134 -9.857 -5.714 18.666 1.00 0.00 O ATOM 2166 CB ARG A 134 -8.754 -3.333 17.480 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.085 -2.573 16.333 1.00 0.00 C ATOM 2168 CD ARG A 134 -7.731 -1.145 16.754 1.00 0.00 C ATOM 2169 NE ARG A 134 -7.222 -0.385 15.591 1.00 0.00 N ATOM 2170 CZ ARG A 134 -5.975 -0.491 15.112 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -5.102 -1.326 15.694 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -5.600 0.237 14.052 1.00 0.00 N ATOM 0 H ARG A 134 -10.901 -2.060 17.114 1.00 0.00 H new ATOM 0 HA ARG A 134 -9.869 -4.571 16.125 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -8.952 -2.651 18.307 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.078 -4.101 17.856 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.182 -3.098 16.022 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -8.752 -2.547 15.471 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.611 -0.650 17.165 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.979 -1.166 17.543 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.860 0.260 15.125 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.387 -1.880 16.501 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.153 -1.407 15.329 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.264 0.872 13.609 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -4.651 0.156 13.688 1.00 0.00 H new