USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 HIS : no HE2:sc= 0.155 K(o=0.16,f=-2.1) USER MOD Single : A 11 HIS : no HE2:sc= -0.993 K(o=-0.99,f=-2.1!) USER MOD Single : A 21 GLN : amide:sc= -0.714 K(o=-0.71,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.0792 K(o=0.079,f=-4.1!) USER MOD Single : A 26 HIS : no HE2:sc= 0.143 K(o=0.14,f=-0.75) USER MOD Single : A 29 TYR OH : rot -169:sc= 0.525 USER MOD Single : A 33 GLN : amide:sc= -0.895 X(o=-0.89,f=-0.81) USER MOD Single : A 34 ASN : amide:sc= -5.21! C(o=-5.2!,f=-2.5!) USER MOD Single : A 37 SER OG : rot -140:sc= 0.0678 USER MOD Single : A 40 TYR OH : rot -171:sc= -0.52 USER MOD Single : A 42 HIS : no HE2:sc= 0.261 K(o=0.28,f=-1.1) USER MOD Single : A 45 MET CE :methyl -117:sc= -2.51 (180deg=-2.76!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 37:sc= 0.248 USER MOD Single : A 57 SER OG : rot -93:sc= 0.416 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 67 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.0018) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 103:sc= 0.942 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0793) USER MOD Single : A 79 HIS : no HE2:sc= -0.871 K(o=-0.87,f=-1.4) USER MOD Single : A 95 TYR OH : rot 19:sc= 0.416 USER MOD Single : A 98 MET CE :methyl -176:sc= -1.17 (180deg=-1.33) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0647) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -5.433 9.516 -4.065 1.00 0.00 N ATOM 63 CA PHE A 5 -4.301 9.282 -3.146 1.00 0.00 C ATOM 64 C PHE A 5 -4.200 10.420 -2.115 1.00 0.00 C ATOM 65 O PHE A 5 -4.460 11.585 -2.429 1.00 0.00 O ATOM 66 CB PHE A 5 -2.967 9.120 -3.922 1.00 0.00 C ATOM 67 CG PHE A 5 -1.758 8.898 -3.007 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.565 7.672 -2.371 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.842 9.922 -2.753 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.498 7.478 -1.521 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.225 9.721 -1.904 1.00 0.00 C ATOM 72 CZ PHE A 5 0.397 8.504 -1.290 1.00 0.00 C ATOM 0 HA PHE A 5 -4.488 8.349 -2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.054 8.278 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.797 10.010 -4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.260 6.865 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.972 10.883 -3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.362 6.523 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.927 10.521 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.234 8.349 -0.625 1.00 0.00 H new ATOM 82 N GLU A 6 -3.805 10.041 -0.892 1.00 0.00 N ATOM 83 CA GLU A 6 -3.536 10.948 0.233 1.00 0.00 C ATOM 84 C GLU A 6 -2.341 10.368 1.040 1.00 0.00 C ATOM 85 O GLU A 6 -2.117 9.149 0.999 1.00 0.00 O ATOM 86 CB GLU A 6 -4.817 11.085 1.111 1.00 0.00 C ATOM 87 CG GLU A 6 -5.351 9.748 1.667 1.00 0.00 C ATOM 88 CD GLU A 6 -6.688 9.856 2.418 1.00 0.00 C ATOM 89 OE1 GLU A 6 -6.683 10.255 3.601 1.00 0.00 O ATOM 90 OE2 GLU A 6 -7.741 9.501 1.842 1.00 0.00 O ATOM 0 H GLU A 6 -3.659 9.061 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.275 11.946 -0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.602 11.752 1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.601 11.558 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.469 9.047 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.605 9.325 2.339 1.00 0.00 H new ATOM 97 N PRO A 7 -1.524 11.209 1.755 1.00 0.00 N ATOM 98 CA PRO A 7 -0.374 10.698 2.544 1.00 0.00 C ATOM 99 C PRO A 7 -0.850 9.805 3.722 1.00 0.00 C ATOM 100 O PRO A 7 -1.278 10.304 4.769 1.00 0.00 O ATOM 101 CB PRO A 7 0.357 11.990 3.010 1.00 0.00 C ATOM 102 CG PRO A 7 -0.693 13.067 2.965 1.00 0.00 C ATOM 103 CD PRO A 7 -1.639 12.691 1.839 1.00 0.00 C ATOM 0 HA PRO A 7 0.289 10.048 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.761 11.874 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.195 12.228 2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.225 13.132 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.242 14.043 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.661 13.001 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.354 13.168 0.901 1.00 0.00 H new ATOM 111 N GLY A 8 -0.828 8.476 3.495 1.00 0.00 N ATOM 112 CA GLY A 8 -1.248 7.480 4.493 1.00 0.00 C ATOM 113 C GLY A 8 -2.274 6.471 3.961 1.00 0.00 C ATOM 114 O GLY A 8 -2.481 5.419 4.582 1.00 0.00 O ATOM 0 H GLY A 8 -0.518 8.066 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.370 6.940 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.672 7.997 5.354 1.00 0.00 H new ATOM 118 N HIS A 9 -2.906 6.777 2.799 1.00 0.00 N ATOM 119 CA HIS A 9 -4.036 5.976 2.252 1.00 0.00 C ATOM 120 C HIS A 9 -4.258 6.233 0.734 1.00 0.00 C ATOM 121 O HIS A 9 -3.912 7.285 0.219 1.00 0.00 O ATOM 122 CB HIS A 9 -5.320 6.285 3.075 1.00 0.00 C ATOM 123 CG HIS A 9 -6.600 5.708 2.529 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.504 6.454 1.813 1.00 0.00 N ATOM 125 CD2 HIS A 9 -7.111 4.456 2.576 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.507 5.700 1.449 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.304 4.476 1.894 1.00 0.00 N ATOM 0 H HIS A 9 -2.652 7.577 2.219 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.791 4.918 2.345 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.178 5.911 4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.432 7.367 3.147 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -7.407 7.446 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.664 3.600 3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.363 6.026 0.877 1.00 0.00 H new ATOM 136 N LEU A 10 -4.830 5.233 0.035 1.00 0.00 N ATOM 137 CA LEU A 10 -5.185 5.300 -1.392 1.00 0.00 C ATOM 138 C LEU A 10 -6.605 4.693 -1.551 1.00 0.00 C ATOM 139 O LEU A 10 -6.861 3.572 -1.112 1.00 0.00 O ATOM 140 CB LEU A 10 -4.118 4.513 -2.232 1.00 0.00 C ATOM 141 CG LEU A 10 -3.964 4.864 -3.759 1.00 0.00 C ATOM 142 CD1 LEU A 10 -2.752 4.129 -4.371 1.00 0.00 C ATOM 143 CD2 LEU A 10 -5.232 4.548 -4.578 1.00 0.00 C ATOM 0 H LEU A 10 -5.063 4.335 0.460 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.192 6.328 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.148 4.659 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.353 3.451 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.803 5.941 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.665 4.387 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.843 4.428 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.891 3.053 -4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.065 4.811 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.458 3.484 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.070 5.125 -4.188 1.00 0.00 H new ATOM 155 N HIS A 11 -7.521 5.455 -2.162 1.00 0.00 N ATOM 156 CA HIS A 11 -8.909 5.023 -2.451 1.00 0.00 C ATOM 157 C HIS A 11 -9.022 4.538 -3.915 1.00 0.00 C ATOM 158 O HIS A 11 -8.440 5.144 -4.808 1.00 0.00 O ATOM 159 CB HIS A 11 -9.859 6.222 -2.187 1.00 0.00 C ATOM 160 CG HIS A 11 -11.311 6.011 -2.554 1.00 0.00 C ATOM 161 ND1 HIS A 11 -12.115 7.025 -3.033 1.00 0.00 N ATOM 162 CD2 HIS A 11 -12.106 4.912 -2.473 1.00 0.00 C ATOM 163 CE1 HIS A 11 -13.331 6.558 -3.230 1.00 0.00 C ATOM 164 NE2 HIS A 11 -13.352 5.285 -2.896 1.00 0.00 N ATOM 0 H HIS A 11 -7.323 6.405 -2.477 1.00 0.00 H new ATOM 0 HA HIS A 11 -9.188 4.190 -1.805 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.806 6.476 -1.128 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.486 7.084 -2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -11.815 7.984 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.810 3.929 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.171 7.125 -3.603 1.00 0.00 H new ATOM 173 N LEU A 12 -9.781 3.446 -4.141 1.00 0.00 N ATOM 174 CA LEU A 12 -9.995 2.857 -5.482 1.00 0.00 C ATOM 175 C LEU A 12 -11.490 2.576 -5.724 1.00 0.00 C ATOM 176 O LEU A 12 -12.110 1.830 -4.975 1.00 0.00 O ATOM 177 CB LEU A 12 -9.193 1.535 -5.642 1.00 0.00 C ATOM 178 CG LEU A 12 -7.639 1.670 -5.707 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.956 0.282 -5.754 1.00 0.00 C ATOM 180 CD2 LEU A 12 -7.218 2.547 -6.912 1.00 0.00 C ATOM 0 H LEU A 12 -10.265 2.945 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.642 3.580 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.445 0.880 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.531 1.038 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.304 2.165 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.874 0.410 -5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.218 -0.283 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.294 -0.260 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.131 2.629 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.571 2.089 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.654 3.540 -6.809 1.00 0.00 H new ATOM 192 N VAL A 13 -12.051 3.244 -6.737 1.00 0.00 N ATOM 193 CA VAL A 13 -13.336 2.894 -7.399 1.00 0.00 C ATOM 194 C VAL A 13 -13.076 3.039 -8.916 1.00 0.00 C ATOM 195 O VAL A 13 -12.109 3.725 -9.296 1.00 0.00 O ATOM 196 CB VAL A 13 -14.527 3.828 -6.930 1.00 0.00 C ATOM 197 CG1 VAL A 13 -15.858 3.513 -7.660 1.00 0.00 C ATOM 198 CG2 VAL A 13 -14.735 3.741 -5.402 1.00 0.00 C ATOM 0 H VAL A 13 -11.617 4.074 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.645 1.883 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.238 4.845 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.638 4.183 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.727 3.654 -8.733 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.146 2.481 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.559 4.392 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.969 2.713 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.824 4.056 -4.892 1.00 0.00 H new ATOM 307 N GLN A 21 -18.229 -1.843 -13.323 1.00 0.00 N ATOM 308 CA GLN A 21 -18.253 -2.971 -12.386 1.00 0.00 C ATOM 309 C GLN A 21 -18.057 -2.406 -10.977 1.00 0.00 C ATOM 310 O GLN A 21 -17.362 -1.389 -10.806 1.00 0.00 O ATOM 311 CB GLN A 21 -17.137 -3.996 -12.730 1.00 0.00 C ATOM 312 CG GLN A 21 -17.169 -5.302 -11.906 1.00 0.00 C ATOM 313 CD GLN A 21 -16.076 -6.297 -12.307 1.00 0.00 C ATOM 314 OE1 GLN A 21 -16.263 -7.107 -13.214 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.933 -6.255 -11.635 1.00 0.00 N ATOM 0 HA GLN A 21 -19.204 -3.499 -12.452 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -17.212 -4.250 -13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -16.169 -3.517 -12.585 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.060 -5.059 -10.849 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -18.144 -5.775 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.806 -5.573 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.182 -6.905 -11.866 1.00 0.00 H new ATOM 324 N ASP A 22 -18.655 -3.067 -9.977 1.00 0.00 N ATOM 325 CA ASP A 22 -18.577 -2.626 -8.576 1.00 0.00 C ATOM 326 C ASP A 22 -17.223 -3.037 -7.987 1.00 0.00 C ATOM 327 O ASP A 22 -17.087 -4.115 -7.404 1.00 0.00 O ATOM 328 CB ASP A 22 -19.759 -3.213 -7.751 1.00 0.00 C ATOM 329 CG ASP A 22 -19.741 -2.828 -6.254 1.00 0.00 C ATOM 330 OD1 ASP A 22 -19.891 -1.624 -5.945 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.571 -3.714 -5.384 1.00 0.00 O ATOM 0 H ASP A 22 -19.203 -3.916 -10.113 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.658 -1.540 -8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.697 -2.874 -8.190 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.742 -4.300 -7.835 1.00 0.00 H new ATOM 336 N ILE A 23 -16.190 -2.218 -8.247 1.00 0.00 N ATOM 337 CA ILE A 23 -14.882 -2.380 -7.609 1.00 0.00 C ATOM 338 C ILE A 23 -14.695 -1.215 -6.635 1.00 0.00 C ATOM 339 O ILE A 23 -14.928 -0.050 -6.983 1.00 0.00 O ATOM 340 CB ILE A 23 -13.684 -2.511 -8.656 1.00 0.00 C ATOM 341 CG1 ILE A 23 -13.206 -1.140 -9.277 1.00 0.00 C ATOM 342 CG2 ILE A 23 -14.069 -3.505 -9.777 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.995 -0.499 -8.596 1.00 0.00 C ATOM 0 H ILE A 23 -16.241 -1.435 -8.899 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.857 -3.324 -7.065 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.832 -2.887 -8.091 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.968 -1.300 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.037 -0.435 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.246 -3.589 -10.487 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.274 -4.483 -9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.959 -3.144 -10.293 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.748 0.437 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.229 -0.299 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.144 -1.177 -8.654 1.00 0.00 H new ATOM 355 N ASN A 24 -14.353 -1.554 -5.398 1.00 0.00 N ATOM 356 CA ASN A 24 -14.068 -0.582 -4.346 1.00 0.00 C ATOM 357 C ASN A 24 -13.066 -1.203 -3.375 1.00 0.00 C ATOM 358 O ASN A 24 -13.285 -2.299 -2.847 1.00 0.00 O ATOM 359 CB ASN A 24 -15.359 -0.070 -3.644 1.00 0.00 C ATOM 360 CG ASN A 24 -16.286 -1.164 -3.116 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.199 -1.563 -1.958 1.00 0.00 O ATOM 362 ND2 ASN A 24 -17.171 -1.666 -3.973 1.00 0.00 N ATOM 0 H ASN A 24 -14.264 -2.523 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.625 0.311 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -15.071 0.574 -2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.916 0.548 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.806 -2.407 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.215 -1.310 -4.928 1.00 0.00 H new ATOM 369 N ILE A 25 -11.938 -0.500 -3.196 1.00 0.00 N ATOM 370 CA ILE A 25 -10.764 -0.971 -2.451 1.00 0.00 C ATOM 371 C ILE A 25 -10.221 0.217 -1.653 1.00 0.00 C ATOM 372 O ILE A 25 -10.222 1.356 -2.139 1.00 0.00 O ATOM 373 CB ILE A 25 -9.608 -1.495 -3.399 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.131 -2.536 -4.436 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.430 -2.089 -2.576 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.111 -2.967 -5.474 1.00 0.00 C ATOM 0 H ILE A 25 -11.815 0.438 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.073 -1.802 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.239 -0.633 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.479 -3.419 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.995 -2.114 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.653 -2.440 -3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.020 -1.320 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.791 -2.924 -1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.564 -3.691 -6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.780 -2.097 -6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.255 -3.423 -4.976 1.00 0.00 H new ATOM 388 N HIS A 26 -9.790 -0.046 -0.427 1.00 0.00 N ATOM 389 CA HIS A 26 -9.086 0.923 0.411 1.00 0.00 C ATOM 390 C HIS A 26 -7.667 0.375 0.593 1.00 0.00 C ATOM 391 O HIS A 26 -7.521 -0.815 0.856 1.00 0.00 O ATOM 392 CB HIS A 26 -9.795 1.066 1.797 1.00 0.00 C ATOM 393 CG HIS A 26 -11.306 1.197 1.770 1.00 0.00 C ATOM 394 ND1 HIS A 26 -12.106 0.832 2.833 1.00 0.00 N ATOM 395 CD2 HIS A 26 -12.158 1.660 0.818 1.00 0.00 C ATOM 396 CE1 HIS A 26 -13.369 1.063 2.538 1.00 0.00 C ATOM 397 NE2 HIS A 26 -13.425 1.566 1.323 1.00 0.00 N ATOM 0 H HIS A 26 -9.920 -0.952 0.023 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.077 1.911 -0.049 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.538 0.198 2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.385 1.941 2.302 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.770 0.442 3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.885 2.033 -0.158 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -14.214 0.872 3.183 1.00 0.00 H new ATOM 406 N ILE A 27 -6.632 1.213 0.442 1.00 0.00 N ATOM 407 CA ILE A 27 -5.231 0.800 0.655 1.00 0.00 C ATOM 408 C ILE A 27 -4.631 1.734 1.713 1.00 0.00 C ATOM 409 O ILE A 27 -4.342 2.889 1.438 1.00 0.00 O ATOM 410 CB ILE A 27 -4.367 0.863 -0.670 1.00 0.00 C ATOM 411 CG1 ILE A 27 -5.003 -0.016 -1.805 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.892 0.432 -0.400 1.00 0.00 C ATOM 413 CD1 ILE A 27 -4.245 -0.003 -3.128 1.00 0.00 C ATOM 0 H ILE A 27 -6.737 2.191 0.171 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.217 -0.240 0.981 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.361 1.899 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.071 -1.045 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.022 0.328 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.322 0.485 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.447 1.100 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.875 -0.590 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.760 -0.638 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.199 1.017 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.234 -0.378 -2.972 1.00 0.00 H new ATOM 425 N ARG A 28 -4.461 1.212 2.912 1.00 0.00 N ATOM 426 CA ARG A 28 -3.893 1.936 4.051 1.00 0.00 C ATOM 427 C ARG A 28 -2.453 1.471 4.225 1.00 0.00 C ATOM 428 O ARG A 28 -2.190 0.273 4.173 1.00 0.00 O ATOM 429 CB ARG A 28 -4.735 1.635 5.320 1.00 0.00 C ATOM 430 CG ARG A 28 -4.268 2.331 6.615 1.00 0.00 C ATOM 431 CD ARG A 28 -5.196 2.012 7.802 1.00 0.00 C ATOM 432 NE ARG A 28 -4.780 2.692 9.038 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.565 2.918 10.102 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.853 2.609 10.074 1.00 0.00 N ATOM 435 NH2 ARG A 28 -5.055 3.463 11.194 1.00 0.00 N ATOM 0 H ARG A 28 -4.718 0.250 3.135 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.909 3.013 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.767 1.926 5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.733 0.558 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.252 2.014 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.237 3.409 6.457 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.215 2.308 7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.209 0.935 7.970 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.815 3.019 9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.260 2.194 9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.438 2.786 10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.066 3.711 11.226 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.651 3.635 12.004 1.00 0.00 H new ATOM 449 N TYR A 29 -1.520 2.408 4.386 1.00 0.00 N ATOM 450 CA TYR A 29 -0.120 2.079 4.660 1.00 0.00 C ATOM 451 C TYR A 29 0.343 2.884 5.878 1.00 0.00 C ATOM 452 O TYR A 29 0.193 4.113 5.923 1.00 0.00 O ATOM 453 CB TYR A 29 0.775 2.295 3.402 1.00 0.00 C ATOM 454 CG TYR A 29 0.919 3.736 2.880 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.010 4.289 1.996 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.995 4.543 3.276 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.131 5.583 1.527 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.132 5.833 2.814 1.00 0.00 C ATOM 459 CZ TYR A 29 1.200 6.351 1.944 1.00 0.00 C ATOM 460 OH TYR A 29 1.331 7.643 1.500 1.00 0.00 O ATOM 0 H TYR A 29 -1.710 3.409 4.331 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.025 1.019 4.897 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.772 1.916 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.376 1.681 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.853 3.696 1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.732 4.145 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.593 5.991 0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.969 6.437 3.134 1.00 0.00 H new ATOM 0 HH TYR A 29 2.217 7.984 1.743 1.00 0.00 H new ATOM 470 N GLU A 30 0.830 2.161 6.889 1.00 0.00 N ATOM 471 CA GLU A 30 1.320 2.727 8.146 1.00 0.00 C ATOM 472 C GLU A 30 2.724 2.190 8.394 1.00 0.00 C ATOM 473 O GLU A 30 2.901 0.979 8.560 1.00 0.00 O ATOM 474 CB GLU A 30 0.393 2.334 9.327 1.00 0.00 C ATOM 475 CG GLU A 30 -1.074 2.767 9.177 1.00 0.00 C ATOM 476 CD GLU A 30 -1.896 2.506 10.444 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.382 1.374 10.628 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.071 3.435 11.258 1.00 0.00 O ATOM 0 H GLU A 30 0.896 1.144 6.855 1.00 0.00 H new ATOM 0 HA GLU A 30 1.332 3.815 8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.425 1.251 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.792 2.770 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.113 3.829 8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.523 2.233 8.340 1.00 0.00 H new ATOM 485 N VAL A 31 3.716 3.081 8.411 1.00 0.00 N ATOM 486 CA VAL A 31 5.100 2.694 8.661 1.00 0.00 C ATOM 487 C VAL A 31 5.310 2.491 10.166 1.00 0.00 C ATOM 488 O VAL A 31 5.168 3.426 10.963 1.00 0.00 O ATOM 489 CB VAL A 31 6.101 3.756 8.089 1.00 0.00 C ATOM 490 CG1 VAL A 31 7.579 3.365 8.368 1.00 0.00 C ATOM 491 CG2 VAL A 31 5.846 3.944 6.576 1.00 0.00 C ATOM 0 H VAL A 31 3.583 4.080 8.253 1.00 0.00 H new ATOM 0 HA VAL A 31 5.301 1.755 8.145 1.00 0.00 H new ATOM 0 HB VAL A 31 5.928 4.704 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.241 4.127 7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.739 3.289 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.796 2.404 7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.542 4.683 6.179 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.992 2.994 6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.824 4.288 6.419 1.00 0.00 H new ATOM 501 N ARG A 32 5.643 1.256 10.526 1.00 0.00 N ATOM 502 CA ARG A 32 5.896 0.833 11.906 1.00 0.00 C ATOM 503 C ARG A 32 7.346 0.340 11.980 1.00 0.00 C ATOM 504 O ARG A 32 7.948 0.008 10.952 1.00 0.00 O ATOM 505 CB ARG A 32 4.916 -0.307 12.304 1.00 0.00 C ATOM 506 CG ARG A 32 4.998 -0.761 13.789 1.00 0.00 C ATOM 507 CD ARG A 32 4.409 -2.152 14.004 1.00 0.00 C ATOM 508 NE ARG A 32 4.377 -2.570 15.419 1.00 0.00 N ATOM 509 CZ ARG A 32 4.117 -3.823 15.844 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.940 -4.810 14.972 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.059 -4.089 17.142 1.00 0.00 N ATOM 0 H ARG A 32 5.748 0.499 9.851 1.00 0.00 H new ATOM 0 HA ARG A 32 5.741 1.662 12.596 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.898 0.022 12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.108 -1.169 11.666 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.039 -0.756 14.111 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.468 -0.044 14.415 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.395 -2.173 13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.991 -2.876 13.434 1.00 0.00 H new ATOM 0 HE ARG A 32 4.565 -1.860 16.127 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.000 -4.623 13.971 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.744 -5.754 15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.211 -3.345 17.822 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.862 -5.038 17.460 1.00 0.00 H new ATOM 525 N GLN A 33 7.916 0.305 13.183 1.00 0.00 N ATOM 526 CA GLN A 33 9.278 -0.182 13.398 1.00 0.00 C ATOM 527 C GLN A 33 9.241 -1.548 14.104 1.00 0.00 C ATOM 528 O GLN A 33 8.695 -1.668 15.199 1.00 0.00 O ATOM 529 CB GLN A 33 10.112 0.837 14.227 1.00 0.00 C ATOM 530 CG GLN A 33 10.094 2.295 13.722 1.00 0.00 C ATOM 531 CD GLN A 33 10.625 2.478 12.299 1.00 0.00 C ATOM 532 OE1 GLN A 33 11.831 2.616 12.086 1.00 0.00 O ATOM 533 NE2 GLN A 33 9.728 2.539 11.320 1.00 0.00 N ATOM 0 H GLN A 33 7.448 0.613 14.035 1.00 0.00 H new ATOM 0 HA GLN A 33 9.760 -0.297 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.747 0.825 15.254 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.147 0.495 14.252 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.071 2.669 13.766 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.687 2.909 14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.737 2.421 11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.031 2.704 10.360 1.00 0.00 H new ATOM 542 N ASN A 34 9.791 -2.570 13.437 1.00 0.00 N ATOM 543 CA ASN A 34 10.073 -3.899 14.031 1.00 0.00 C ATOM 544 C ASN A 34 11.561 -3.977 14.409 1.00 0.00 C ATOM 545 O ASN A 34 12.392 -3.360 13.754 1.00 0.00 O ATOM 546 CB ASN A 34 9.684 -5.067 13.057 1.00 0.00 C ATOM 547 CG ASN A 34 10.487 -5.200 11.737 1.00 0.00 C ATOM 548 OD1 ASN A 34 10.576 -6.289 11.190 1.00 0.00 O ATOM 549 ND2 ASN A 34 11.099 -4.142 11.222 1.00 0.00 N ATOM 0 H ASN A 34 10.059 -2.504 12.455 1.00 0.00 H new ATOM 0 HA ASN A 34 9.461 -4.016 14.926 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.778 -6.005 13.603 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.631 -4.953 12.799 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.646 -4.236 10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.022 -3.235 11.682 1.00 0.00 H new ATOM 556 N ALA A 35 11.890 -4.732 15.463 1.00 0.00 N ATOM 557 CA ALA A 35 13.290 -4.924 15.913 1.00 0.00 C ATOM 558 C ALA A 35 14.095 -5.817 14.937 1.00 0.00 C ATOM 559 O ALA A 35 15.325 -5.902 15.038 1.00 0.00 O ATOM 560 CB ALA A 35 13.302 -5.505 17.335 1.00 0.00 C ATOM 0 H ALA A 35 11.204 -5.228 16.031 1.00 0.00 H new ATOM 0 HA ALA A 35 13.781 -3.951 15.922 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.332 -5.645 17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.796 -4.818 18.013 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.786 -6.465 17.340 1.00 0.00 H new ATOM 566 N GLU A 36 13.386 -6.469 13.998 1.00 0.00 N ATOM 567 CA GLU A 36 13.981 -7.370 13.003 1.00 0.00 C ATOM 568 C GLU A 36 14.697 -6.589 11.875 1.00 0.00 C ATOM 569 O GLU A 36 15.887 -6.809 11.622 1.00 0.00 O ATOM 570 CB GLU A 36 12.869 -8.279 12.419 1.00 0.00 C ATOM 571 CG GLU A 36 13.323 -9.215 11.280 1.00 0.00 C ATOM 572 CD GLU A 36 12.177 -10.041 10.683 1.00 0.00 C ATOM 573 OE1 GLU A 36 11.908 -11.160 11.173 1.00 0.00 O ATOM 574 OE2 GLU A 36 11.521 -9.564 9.732 1.00 0.00 O ATOM 0 H GLU A 36 12.373 -6.382 13.910 1.00 0.00 H new ATOM 0 HA GLU A 36 14.738 -7.981 13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.456 -8.886 13.225 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.061 -7.647 12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.783 -8.620 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.091 -9.890 11.658 1.00 0.00 H new ATOM 581 N SER A 37 13.970 -5.671 11.209 1.00 0.00 N ATOM 582 CA SER A 37 14.483 -4.925 10.024 1.00 0.00 C ATOM 583 C SER A 37 14.617 -3.417 10.315 1.00 0.00 C ATOM 584 O SER A 37 15.155 -2.659 9.498 1.00 0.00 O ATOM 585 CB SER A 37 13.536 -5.167 8.813 1.00 0.00 C ATOM 586 OG SER A 37 14.001 -4.528 7.627 1.00 0.00 O ATOM 0 H SER A 37 13.016 -5.421 11.468 1.00 0.00 H new ATOM 0 HA SER A 37 15.480 -5.296 9.788 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.445 -6.238 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.539 -4.798 9.055 1.00 0.00 H new ATOM 0 HG SER A 37 13.241 -4.144 7.143 1.00 0.00 H new ATOM 592 N GLY A 38 14.134 -2.991 11.486 1.00 0.00 N ATOM 593 CA GLY A 38 14.043 -1.571 11.818 1.00 0.00 C ATOM 594 C GLY A 38 12.745 -1.004 11.274 1.00 0.00 C ATOM 595 O GLY A 38 11.676 -1.339 11.769 1.00 0.00 O ATOM 0 H GLY A 38 13.799 -3.614 12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.086 -1.436 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.892 -1.033 11.396 1.00 0.00 H new ATOM 599 N ALA A 39 12.832 -0.183 10.225 1.00 0.00 N ATOM 600 CA ALA A 39 11.649 0.341 9.520 1.00 0.00 C ATOM 601 C ALA A 39 10.990 -0.747 8.646 1.00 0.00 C ATOM 602 O ALA A 39 11.680 -1.587 8.058 1.00 0.00 O ATOM 603 CB ALA A 39 12.030 1.568 8.663 1.00 0.00 C ATOM 0 H ALA A 39 13.719 0.139 9.838 1.00 0.00 H new ATOM 0 HA ALA A 39 10.922 0.652 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.144 1.942 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.434 2.350 9.306 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.781 1.279 7.928 1.00 0.00 H new ATOM 609 N TYR A 40 9.651 -0.736 8.615 1.00 0.00 N ATOM 610 CA TYR A 40 8.839 -1.526 7.659 1.00 0.00 C ATOM 611 C TYR A 40 7.460 -0.857 7.508 1.00 0.00 C ATOM 612 O TYR A 40 7.109 0.021 8.301 1.00 0.00 O ATOM 613 CB TYR A 40 8.708 -3.024 8.103 1.00 0.00 C ATOM 614 CG TYR A 40 7.592 -3.358 9.113 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.764 -3.160 10.484 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.365 -3.897 8.687 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.763 -3.475 11.382 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.372 -4.200 9.583 1.00 0.00 C ATOM 619 CZ TYR A 40 5.570 -3.999 10.923 1.00 0.00 C ATOM 620 OH TYR A 40 4.568 -4.332 11.809 1.00 0.00 O ATOM 0 H TYR A 40 9.089 -0.176 9.256 1.00 0.00 H new ATOM 0 HA TYR A 40 9.341 -1.540 6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.550 -3.630 7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.660 -3.334 8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.696 -2.754 10.849 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.202 -4.076 7.634 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.912 -3.312 12.439 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.432 -4.598 9.231 1.00 0.00 H new ATOM 0 HH TYR A 40 3.857 -4.811 11.334 1.00 0.00 H new ATOM 630 N VAL A 41 6.675 -1.257 6.493 1.00 0.00 N ATOM 631 CA VAL A 41 5.313 -0.724 6.293 1.00 0.00 C ATOM 632 C VAL A 41 4.272 -1.847 6.460 1.00 0.00 C ATOM 633 O VAL A 41 4.377 -2.903 5.826 1.00 0.00 O ATOM 634 CB VAL A 41 5.120 -0.056 4.879 1.00 0.00 C ATOM 635 CG1 VAL A 41 3.846 0.823 4.856 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.357 0.755 4.444 1.00 0.00 C ATOM 0 H VAL A 41 6.959 -1.947 5.798 1.00 0.00 H new ATOM 0 HA VAL A 41 5.169 0.047 7.050 1.00 0.00 H new ATOM 0 HB VAL A 41 4.997 -0.863 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.733 1.274 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.974 0.206 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.932 1.609 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.177 1.196 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.546 1.547 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.224 0.096 4.391 1.00 0.00 H new ATOM 646 N HIS A 42 3.292 -1.607 7.335 1.00 0.00 N ATOM 647 CA HIS A 42 2.101 -2.452 7.494 1.00 0.00 C ATOM 648 C HIS A 42 0.995 -1.928 6.558 1.00 0.00 C ATOM 649 O HIS A 42 0.576 -0.775 6.679 1.00 0.00 O ATOM 650 CB HIS A 42 1.637 -2.417 8.980 1.00 0.00 C ATOM 651 CG HIS A 42 0.253 -2.984 9.237 1.00 0.00 C ATOM 652 ND1 HIS A 42 -0.006 -4.326 9.399 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.949 -2.365 9.343 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.297 -4.504 9.582 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.888 -3.333 9.557 1.00 0.00 N ATOM 0 H HIS A 42 3.302 -0.805 7.966 1.00 0.00 H new ATOM 0 HA HIS A 42 2.327 -3.485 7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.357 -2.971 9.582 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.659 -1.384 9.327 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.694 -5.068 9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.130 -1.303 9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.788 -5.455 9.728 1.00 0.00 H new ATOM 664 N PHE A 43 0.527 -2.777 5.637 1.00 0.00 N ATOM 665 CA PHE A 43 -0.545 -2.423 4.684 1.00 0.00 C ATOM 666 C PHE A 43 -1.856 -3.149 5.057 1.00 0.00 C ATOM 667 O PHE A 43 -1.820 -4.285 5.548 1.00 0.00 O ATOM 668 CB PHE A 43 -0.139 -2.807 3.240 1.00 0.00 C ATOM 669 CG PHE A 43 1.185 -2.214 2.740 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.224 -0.962 2.134 1.00 0.00 C ATOM 671 CD2 PHE A 43 2.385 -2.924 2.856 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.412 -0.442 1.654 1.00 0.00 C ATOM 673 CE2 PHE A 43 3.568 -2.404 2.380 1.00 0.00 C ATOM 674 CZ PHE A 43 3.584 -1.162 1.785 1.00 0.00 C ATOM 0 H PHE A 43 0.876 -3.729 5.526 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.701 -1.346 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.076 -3.893 3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.934 -2.494 2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.314 -0.389 2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.384 -3.896 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.424 0.527 1.177 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.483 -2.970 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.514 -0.750 1.420 1.00 0.00 H new ATOM 684 N ASP A 44 -2.997 -2.470 4.833 1.00 0.00 N ATOM 685 CA ASP A 44 -4.359 -3.047 4.955 1.00 0.00 C ATOM 686 C ASP A 44 -5.135 -2.746 3.672 1.00 0.00 C ATOM 687 O ASP A 44 -5.175 -1.593 3.244 1.00 0.00 O ATOM 688 CB ASP A 44 -5.142 -2.432 6.150 1.00 0.00 C ATOM 689 CG ASP A 44 -4.435 -2.600 7.496 1.00 0.00 C ATOM 690 OD1 ASP A 44 -4.476 -3.711 8.067 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.835 -1.624 7.994 1.00 0.00 O ATOM 0 H ASP A 44 -3.004 -1.488 4.557 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.257 -4.119 5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.300 -1.370 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.127 -2.896 6.206 1.00 0.00 H new ATOM 696 N MET A 45 -5.741 -3.765 3.047 1.00 0.00 N ATOM 697 CA MET A 45 -6.638 -3.568 1.890 1.00 0.00 C ATOM 698 C MET A 45 -8.014 -4.187 2.170 1.00 0.00 C ATOM 699 O MET A 45 -8.100 -5.355 2.536 1.00 0.00 O ATOM 700 CB MET A 45 -6.005 -4.167 0.603 1.00 0.00 C ATOM 701 CG MET A 45 -4.753 -3.414 0.113 1.00 0.00 C ATOM 702 SD MET A 45 -4.014 -4.131 -1.369 1.00 0.00 S ATOM 703 CE MET A 45 -5.384 -4.102 -2.520 1.00 0.00 C ATOM 0 H MET A 45 -5.628 -4.741 3.322 1.00 0.00 H new ATOM 0 HA MET A 45 -6.775 -2.498 1.730 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.741 -5.208 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.751 -4.166 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.019 -2.376 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.010 -3.403 0.911 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.643 -5.122 -2.803 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.245 -3.627 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.100 -3.540 -3.409 1.00 0.00 H new ATOM 713 N ASP A 46 -9.090 -3.404 1.953 1.00 0.00 N ATOM 714 CA ASP A 46 -10.474 -3.828 2.282 1.00 0.00 C ATOM 715 C ASP A 46 -11.513 -3.099 1.399 1.00 0.00 C ATOM 716 O ASP A 46 -11.311 -1.950 1.014 1.00 0.00 O ATOM 717 CB ASP A 46 -10.780 -3.593 3.790 1.00 0.00 C ATOM 718 CG ASP A 46 -10.745 -2.111 4.211 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.656 -1.509 4.211 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.805 -1.546 4.557 1.00 0.00 O ATOM 0 H ASP A 46 -9.030 -2.469 1.549 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.549 -4.896 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.764 -4.002 4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.057 -4.148 4.388 1.00 0.00 H new ATOM 725 N GLY A 47 -12.619 -3.795 1.091 1.00 0.00 N ATOM 726 CA GLY A 47 -13.722 -3.249 0.274 1.00 0.00 C ATOM 727 C GLY A 47 -14.694 -4.355 -0.109 1.00 0.00 C ATOM 728 O GLY A 47 -14.804 -5.329 0.638 1.00 0.00 O ATOM 0 H GLY A 47 -12.777 -4.754 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.246 -2.472 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.321 -2.781 -0.625 1.00 0.00 H new ATOM 732 N GLU A 48 -15.392 -4.242 -1.265 1.00 0.00 N ATOM 733 CA GLU A 48 -16.205 -5.349 -1.807 1.00 0.00 C ATOM 734 C GLU A 48 -16.282 -5.277 -3.350 1.00 0.00 C ATOM 735 O GLU A 48 -16.906 -4.393 -3.934 1.00 0.00 O ATOM 736 CB GLU A 48 -17.629 -5.382 -1.180 1.00 0.00 C ATOM 737 CG GLU A 48 -18.451 -4.078 -1.306 1.00 0.00 C ATOM 738 CD GLU A 48 -19.870 -4.198 -0.729 1.00 0.00 C ATOM 739 OE1 GLU A 48 -20.767 -4.707 -1.437 1.00 0.00 O ATOM 740 OE2 GLU A 48 -20.103 -3.774 0.426 1.00 0.00 O ATOM 0 H GLU A 48 -15.406 -3.397 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.708 -6.280 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.192 -6.190 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.534 -5.628 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.924 -3.273 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.516 -3.797 -2.357 1.00 0.00 H new ATOM 747 N ILE A 49 -15.591 -6.224 -3.993 1.00 0.00 N ATOM 748 CA ILE A 49 -15.570 -6.320 -5.474 1.00 0.00 C ATOM 749 C ILE A 49 -16.518 -7.408 -5.978 1.00 0.00 C ATOM 750 O ILE A 49 -16.443 -8.551 -5.529 1.00 0.00 O ATOM 751 CB ILE A 49 -14.120 -6.577 -6.000 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.161 -5.456 -5.479 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.096 -6.661 -7.553 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.703 -5.680 -5.795 1.00 0.00 C ATOM 0 H ILE A 49 -15.037 -6.938 -3.521 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.915 -5.363 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.773 -7.537 -5.618 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.470 -4.503 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.276 -5.371 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.076 -6.840 -7.892 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.737 -7.479 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.459 -5.723 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.113 -4.854 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.372 -6.614 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.569 -5.733 -6.875 1.00 0.00 H new ATOM 766 N ASP A 50 -17.397 -7.008 -6.934 1.00 0.00 N ATOM 767 CA ASP A 50 -18.531 -7.814 -7.434 1.00 0.00 C ATOM 768 C ASP A 50 -19.528 -8.069 -6.270 1.00 0.00 C ATOM 769 O ASP A 50 -20.337 -8.997 -6.290 1.00 0.00 O ATOM 770 CB ASP A 50 -18.011 -9.132 -8.115 1.00 0.00 C ATOM 771 CG ASP A 50 -19.090 -9.936 -8.867 1.00 0.00 C ATOM 772 OD1 ASP A 50 -19.597 -9.443 -9.897 1.00 0.00 O ATOM 773 OD2 ASP A 50 -19.443 -11.057 -8.433 1.00 0.00 O ATOM 0 H ASP A 50 -17.331 -6.096 -7.385 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.072 -7.272 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.216 -8.874 -8.814 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.569 -9.770 -7.350 1.00 0.00 H new ATOM 778 N GLY A 51 -19.455 -7.185 -5.247 1.00 0.00 N ATOM 779 CA GLY A 51 -20.244 -7.313 -4.024 1.00 0.00 C ATOM 780 C GLY A 51 -19.589 -8.192 -2.966 1.00 0.00 C ATOM 781 O GLY A 51 -20.138 -8.337 -1.869 1.00 0.00 O ATOM 0 H GLY A 51 -18.845 -6.368 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.414 -6.321 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.221 -7.726 -4.273 1.00 0.00 H new ATOM 785 N LYS A 52 -18.422 -8.797 -3.291 1.00 0.00 N ATOM 786 CA LYS A 52 -17.698 -9.716 -2.394 1.00 0.00 C ATOM 787 C LYS A 52 -16.756 -8.966 -1.440 1.00 0.00 C ATOM 788 O LYS A 52 -15.719 -8.451 -1.887 1.00 0.00 O ATOM 789 CB LYS A 52 -16.897 -10.749 -3.231 1.00 0.00 C ATOM 790 CG LYS A 52 -17.778 -11.707 -4.067 1.00 0.00 C ATOM 791 CD LYS A 52 -18.702 -12.570 -3.172 1.00 0.00 C ATOM 792 CE LYS A 52 -19.616 -13.512 -3.970 1.00 0.00 C ATOM 793 NZ LYS A 52 -20.494 -14.303 -3.071 1.00 0.00 N ATOM 0 H LYS A 52 -17.958 -8.658 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.438 -10.233 -1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.225 -10.214 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.274 -11.339 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.385 -11.128 -4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.140 -12.358 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.088 -13.161 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.317 -11.913 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.228 -12.930 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.008 -14.186 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.099 -14.929 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.909 -14.876 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.090 -13.659 -2.513 1.00 0.00 H new ATOM 807 N PRO A 53 -17.078 -8.923 -0.103 1.00 0.00 N ATOM 808 CA PRO A 53 -16.271 -8.193 0.891 1.00 0.00 C ATOM 809 C PRO A 53 -14.951 -8.920 1.207 1.00 0.00 C ATOM 810 O PRO A 53 -14.908 -10.159 1.282 1.00 0.00 O ATOM 811 CB PRO A 53 -17.206 -8.117 2.123 1.00 0.00 C ATOM 812 CG PRO A 53 -18.041 -9.359 2.027 1.00 0.00 C ATOM 813 CD PRO A 53 -18.242 -9.606 0.542 1.00 0.00 C ATOM 0 HA PRO A 53 -15.956 -7.210 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.638 -8.090 3.053 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.823 -7.219 2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.541 -10.204 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.997 -9.229 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.255 -10.672 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.189 -9.193 0.194 1.00 0.00 H new ATOM 821 N PHE A 54 -13.879 -8.138 1.392 1.00 0.00 N ATOM 822 CA PHE A 54 -12.543 -8.666 1.695 1.00 0.00 C ATOM 823 C PHE A 54 -11.845 -7.771 2.719 1.00 0.00 C ATOM 824 O PHE A 54 -12.084 -6.561 2.760 1.00 0.00 O ATOM 825 CB PHE A 54 -11.685 -8.813 0.400 1.00 0.00 C ATOM 826 CG PHE A 54 -11.315 -7.508 -0.332 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.199 -6.909 -1.232 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.070 -6.901 -0.136 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.851 -5.754 -1.906 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.727 -5.746 -0.808 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.617 -5.173 -1.692 1.00 0.00 C ATOM 0 H PHE A 54 -13.914 -7.120 1.336 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.656 -9.662 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.762 -9.332 0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.226 -9.453 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.168 -7.355 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.366 -7.344 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.545 -5.305 -2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.762 -5.291 -0.642 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.348 -4.269 -2.218 1.00 0.00 H new ATOM 841 N SER A 55 -11.010 -8.393 3.554 1.00 0.00 N ATOM 842 CA SER A 55 -10.126 -7.707 4.494 1.00 0.00 C ATOM 843 C SER A 55 -8.772 -8.430 4.472 1.00 0.00 C ATOM 844 O SER A 55 -8.675 -9.614 4.824 1.00 0.00 O ATOM 845 CB SER A 55 -10.748 -7.685 5.911 1.00 0.00 C ATOM 846 OG SER A 55 -11.035 -8.997 6.384 1.00 0.00 O ATOM 0 H SER A 55 -10.929 -9.409 3.595 1.00 0.00 H new ATOM 0 HA SER A 55 -9.986 -6.666 4.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.063 -7.192 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.665 -7.096 5.896 1.00 0.00 H new ATOM 0 HG SER A 55 -10.333 -9.613 6.086 1.00 0.00 H new ATOM 852 N ASP A 56 -7.743 -7.706 4.040 1.00 0.00 N ATOM 853 CA ASP A 56 -6.400 -8.241 3.772 1.00 0.00 C ATOM 854 C ASP A 56 -5.363 -7.364 4.484 1.00 0.00 C ATOM 855 O ASP A 56 -5.573 -6.160 4.649 1.00 0.00 O ATOM 856 CB ASP A 56 -6.149 -8.260 2.235 1.00 0.00 C ATOM 857 CG ASP A 56 -4.816 -8.921 1.840 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.781 -10.163 1.716 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.799 -8.216 1.677 1.00 0.00 O ATOM 0 H ASP A 56 -7.816 -6.705 3.860 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.316 -9.261 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.967 -8.790 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.164 -7.237 1.860 1.00 0.00 H new ATOM 864 N SER A 57 -4.265 -7.976 4.937 1.00 0.00 N ATOM 865 CA SER A 57 -3.132 -7.254 5.530 1.00 0.00 C ATOM 866 C SER A 57 -1.823 -7.933 5.100 1.00 0.00 C ATOM 867 O SER A 57 -1.684 -9.155 5.218 1.00 0.00 O ATOM 868 CB SER A 57 -3.252 -7.219 7.075 1.00 0.00 C ATOM 869 OG SER A 57 -4.499 -6.677 7.494 1.00 0.00 O ATOM 0 H SER A 57 -4.135 -8.987 4.904 1.00 0.00 H new ATOM 0 HA SER A 57 -3.136 -6.223 5.176 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.142 -8.228 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.439 -6.624 7.490 1.00 0.00 H new ATOM 0 HG SER A 57 -4.403 -5.713 7.643 1.00 0.00 H new ATOM 875 N PHE A 58 -0.878 -7.134 4.591 1.00 0.00 N ATOM 876 CA PHE A 58 0.451 -7.607 4.164 1.00 0.00 C ATOM 877 C PHE A 58 1.506 -6.595 4.608 1.00 0.00 C ATOM 878 O PHE A 58 1.246 -5.398 4.618 1.00 0.00 O ATOM 879 CB PHE A 58 0.497 -7.850 2.628 1.00 0.00 C ATOM 880 CG PHE A 58 0.152 -6.642 1.736 1.00 0.00 C ATOM 881 CD1 PHE A 58 -1.174 -6.277 1.507 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.153 -5.895 1.109 1.00 0.00 C ATOM 883 CE1 PHE A 58 -1.488 -5.215 0.686 1.00 0.00 C ATOM 884 CE2 PHE A 58 0.837 -4.837 0.281 1.00 0.00 C ATOM 885 CZ PHE A 58 -0.484 -4.495 0.071 1.00 0.00 C ATOM 0 H PHE A 58 -1.012 -6.131 4.461 1.00 0.00 H new ATOM 0 HA PHE A 58 0.662 -8.567 4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.497 -8.195 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.192 -8.660 2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.968 -6.835 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.189 -6.149 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.521 -4.946 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.623 -4.276 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.731 -3.665 -0.574 1.00 0.00 H new ATOM 895 N GLU A 59 2.684 -7.086 5.010 1.00 0.00 N ATOM 896 CA GLU A 59 3.763 -6.250 5.570 1.00 0.00 C ATOM 897 C GLU A 59 5.064 -6.484 4.803 1.00 0.00 C ATOM 898 O GLU A 59 5.443 -7.630 4.539 1.00 0.00 O ATOM 899 CB GLU A 59 3.950 -6.556 7.078 1.00 0.00 C ATOM 900 CG GLU A 59 2.683 -6.318 7.924 1.00 0.00 C ATOM 901 CD GLU A 59 2.854 -6.655 9.415 1.00 0.00 C ATOM 902 OE1 GLU A 59 3.364 -7.745 9.738 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.457 -5.842 10.271 1.00 0.00 O ATOM 0 H GLU A 59 2.921 -8.077 4.958 1.00 0.00 H new ATOM 0 HA GLU A 59 3.488 -5.201 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.262 -7.594 7.192 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.757 -5.936 7.468 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.387 -5.273 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.869 -6.918 7.517 1.00 0.00 H new ATOM 910 N LEU A 60 5.734 -5.386 4.449 1.00 0.00 N ATOM 911 CA LEU A 60 6.993 -5.396 3.690 1.00 0.00 C ATOM 912 C LEU A 60 8.065 -4.632 4.479 1.00 0.00 C ATOM 913 O LEU A 60 7.801 -3.504 4.905 1.00 0.00 O ATOM 914 CB LEU A 60 6.767 -4.752 2.297 1.00 0.00 C ATOM 915 CG LEU A 60 5.928 -5.606 1.289 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.480 -4.774 0.071 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.721 -6.865 0.849 1.00 0.00 C ATOM 0 H LEU A 60 5.414 -4.446 4.684 1.00 0.00 H new ATOM 0 HA LEU A 60 7.332 -6.422 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.269 -3.792 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.739 -4.545 1.850 1.00 0.00 H new ATOM 0 HG LEU A 60 5.024 -5.933 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.900 -5.402 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.865 -3.939 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.357 -4.392 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.121 -7.446 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.649 -6.560 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.950 -7.475 1.723 1.00 0.00 H new ATOM 929 N PRO A 61 9.283 -5.234 4.700 1.00 0.00 N ATOM 930 CA PRO A 61 10.419 -4.533 5.347 1.00 0.00 C ATOM 931 C PRO A 61 10.906 -3.349 4.498 1.00 0.00 C ATOM 932 O PRO A 61 10.579 -3.277 3.318 1.00 0.00 O ATOM 933 CB PRO A 61 11.498 -5.639 5.481 1.00 0.00 C ATOM 934 CG PRO A 61 11.162 -6.628 4.410 1.00 0.00 C ATOM 935 CD PRO A 61 9.650 -6.630 4.333 1.00 0.00 C ATOM 0 HA PRO A 61 10.156 -4.091 6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.500 -5.233 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.472 -6.100 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.605 -6.341 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.545 -7.619 4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.299 -6.888 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.214 -7.354 5.021 1.00 0.00 H new ATOM 943 N ARG A 62 11.653 -2.422 5.123 1.00 0.00 N ATOM 944 CA ARG A 62 12.271 -1.254 4.439 1.00 0.00 C ATOM 945 C ARG A 62 12.963 -1.628 3.088 1.00 0.00 C ATOM 946 O ARG A 62 12.952 -0.840 2.133 1.00 0.00 O ATOM 947 CB ARG A 62 13.292 -0.566 5.391 1.00 0.00 C ATOM 948 CG ARG A 62 14.632 -1.326 5.562 1.00 0.00 C ATOM 949 CD ARG A 62 15.616 -0.656 6.537 1.00 0.00 C ATOM 950 NE ARG A 62 16.993 -1.161 6.352 1.00 0.00 N ATOM 951 CZ ARG A 62 17.438 -2.395 6.676 1.00 0.00 C ATOM 952 NH1 ARG A 62 16.658 -3.281 7.289 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.687 -2.727 6.402 1.00 0.00 N ATOM 0 H ARG A 62 11.851 -2.455 6.123 1.00 0.00 H new ATOM 0 HA ARG A 62 11.463 -0.565 4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.503 0.434 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.830 -0.446 6.371 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.422 -2.336 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.111 -1.420 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.600 0.423 6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.295 -0.840 7.562 1.00 0.00 H new ATOM 0 HE ARG A 62 17.670 -0.518 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.697 -3.036 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.021 -4.205 7.521 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.306 -2.054 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.032 -3.656 6.643 1.00 0.00 H new ATOM 967 N ASP A 63 13.509 -2.863 3.034 1.00 0.00 N ATOM 968 CA ASP A 63 14.270 -3.396 1.889 1.00 0.00 C ATOM 969 C ASP A 63 13.370 -3.680 0.662 1.00 0.00 C ATOM 970 O ASP A 63 13.822 -3.557 -0.479 1.00 0.00 O ATOM 971 CB ASP A 63 15.014 -4.687 2.337 1.00 0.00 C ATOM 972 CG ASP A 63 15.954 -5.276 1.264 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.051 -4.718 1.056 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.602 -6.289 0.624 1.00 0.00 O ATOM 0 H ASP A 63 13.430 -3.529 3.803 1.00 0.00 H new ATOM 0 HA ASP A 63 14.989 -2.640 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.595 -4.467 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.277 -5.441 2.613 1.00 0.00 H new ATOM 979 N THR A 64 12.090 -4.015 0.902 1.00 0.00 N ATOM 980 CA THR A 64 11.126 -4.404 -0.155 1.00 0.00 C ATOM 981 C THR A 64 9.813 -3.608 -0.002 1.00 0.00 C ATOM 982 O THR A 64 8.790 -3.966 -0.596 1.00 0.00 O ATOM 983 CB THR A 64 10.831 -5.948 -0.127 1.00 0.00 C ATOM 984 OG1 THR A 64 10.411 -6.339 1.185 1.00 0.00 O ATOM 985 CG2 THR A 64 12.059 -6.778 -0.549 1.00 0.00 C ATOM 0 H THR A 64 11.688 -4.025 1.839 1.00 0.00 H new ATOM 0 HA THR A 64 11.577 -4.167 -1.119 1.00 0.00 H new ATOM 0 HB THR A 64 10.035 -6.144 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.227 -7.301 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.810 -7.839 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.351 -6.506 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.886 -6.577 0.133 1.00 0.00 H new ATOM 993 N ALA A 65 9.865 -2.507 0.782 1.00 0.00 N ATOM 994 CA ALA A 65 8.704 -1.623 1.020 1.00 0.00 C ATOM 995 C ALA A 65 8.240 -0.960 -0.283 1.00 0.00 C ATOM 996 O ALA A 65 7.048 -0.895 -0.557 1.00 0.00 O ATOM 997 CB ALA A 65 9.049 -0.561 2.074 1.00 0.00 C ATOM 0 H ALA A 65 10.712 -2.208 1.266 1.00 0.00 H new ATOM 0 HA ALA A 65 7.883 -2.233 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.185 0.082 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.320 -1.051 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.888 0.041 1.723 1.00 0.00 H new ATOM 1003 N PHE A 66 9.221 -0.494 -1.073 1.00 0.00 N ATOM 1004 CA PHE A 66 9.001 0.180 -2.378 1.00 0.00 C ATOM 1005 C PHE A 66 8.574 -0.807 -3.492 1.00 0.00 C ATOM 1006 O PHE A 66 8.283 -0.394 -4.616 1.00 0.00 O ATOM 1007 CB PHE A 66 10.281 0.951 -2.784 1.00 0.00 C ATOM 1008 CG PHE A 66 10.816 1.835 -1.659 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.223 3.062 -1.377 1.00 0.00 C ATOM 1010 CD2 PHE A 66 11.880 1.414 -0.857 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.681 3.840 -0.343 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.335 2.195 0.184 1.00 0.00 C ATOM 1013 CZ PHE A 66 11.738 3.406 0.441 1.00 0.00 C ATOM 0 H PHE A 66 10.207 -0.573 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 66 8.175 0.881 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.052 0.239 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.067 1.569 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.394 3.406 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.353 0.463 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.216 4.793 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.158 1.856 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.093 4.020 1.255 1.00 0.00 H new ATOM 1023 N ASN A 67 8.513 -2.106 -3.156 1.00 0.00 N ATOM 1024 CA ASN A 67 7.995 -3.162 -4.053 1.00 0.00 C ATOM 1025 C ASN A 67 6.468 -3.320 -3.874 1.00 0.00 C ATOM 1026 O ASN A 67 5.854 -4.195 -4.503 1.00 0.00 O ATOM 1027 CB ASN A 67 8.720 -4.508 -3.756 1.00 0.00 C ATOM 1028 CG ASN A 67 10.211 -4.571 -4.147 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.731 -5.648 -4.436 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.922 -3.449 -4.168 1.00 0.00 N ATOM 0 H ASN A 67 8.822 -2.459 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 67 8.190 -2.876 -5.087 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.635 -4.717 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.193 -5.306 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.909 -3.475 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.481 -2.561 -3.927 1.00 0.00 H new ATOM 1037 N PHE A 68 5.888 -2.465 -2.994 1.00 0.00 N ATOM 1038 CA PHE A 68 4.460 -2.478 -2.648 1.00 0.00 C ATOM 1039 C PHE A 68 3.555 -2.379 -3.883 1.00 0.00 C ATOM 1040 O PHE A 68 2.650 -3.178 -4.018 1.00 0.00 O ATOM 1041 CB PHE A 68 4.117 -1.352 -1.629 1.00 0.00 C ATOM 1042 CG PHE A 68 4.151 0.080 -2.197 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.359 0.693 -2.541 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.977 0.791 -2.415 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.393 1.956 -3.083 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.011 2.057 -2.954 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.217 2.642 -3.290 1.00 0.00 C ATOM 0 H PHE A 68 6.413 -1.741 -2.503 1.00 0.00 H new ATOM 0 HA PHE A 68 4.264 -3.443 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.123 -1.541 -1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.818 -1.412 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.286 0.163 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.027 0.345 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.338 2.408 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.089 2.597 -3.115 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.237 3.635 -3.714 1.00 0.00 H new ATOM 1057 N ALA A 69 3.812 -1.395 -4.779 1.00 0.00 N ATOM 1058 CA ALA A 69 2.968 -1.129 -5.968 1.00 0.00 C ATOM 1059 C ALA A 69 2.750 -2.362 -6.864 1.00 0.00 C ATOM 1060 O ALA A 69 1.723 -2.452 -7.540 1.00 0.00 O ATOM 1061 CB ALA A 69 3.541 0.035 -6.782 1.00 0.00 C ATOM 0 H ALA A 69 4.610 -0.764 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 69 1.984 -0.859 -5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.909 0.217 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.573 0.931 -6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.550 -0.214 -7.112 1.00 0.00 H new ATOM 1067 N SER A 70 3.719 -3.295 -6.867 1.00 0.00 N ATOM 1068 CA SER A 70 3.591 -4.571 -7.581 1.00 0.00 C ATOM 1069 C SER A 70 2.582 -5.487 -6.856 1.00 0.00 C ATOM 1070 O SER A 70 1.629 -5.966 -7.467 1.00 0.00 O ATOM 1071 CB SER A 70 4.982 -5.244 -7.682 1.00 0.00 C ATOM 1072 OG SER A 70 5.938 -4.362 -8.264 1.00 0.00 O ATOM 0 H SER A 70 4.606 -3.184 -6.377 1.00 0.00 H new ATOM 0 HA SER A 70 3.216 -4.392 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.317 -5.544 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.908 -6.151 -8.281 1.00 0.00 H new ATOM 0 HG SER A 70 6.808 -4.810 -8.315 1.00 0.00 H new ATOM 1078 N ASP A 71 2.790 -5.676 -5.533 1.00 0.00 N ATOM 1079 CA ASP A 71 1.988 -6.621 -4.716 1.00 0.00 C ATOM 1080 C ASP A 71 0.567 -6.097 -4.432 1.00 0.00 C ATOM 1081 O ASP A 71 -0.396 -6.816 -4.628 1.00 0.00 O ATOM 1082 CB ASP A 71 2.705 -6.946 -3.384 1.00 0.00 C ATOM 1083 CG ASP A 71 1.993 -8.057 -2.582 1.00 0.00 C ATOM 1084 OD1 ASP A 71 2.157 -9.243 -2.934 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.260 -7.755 -1.614 1.00 0.00 O ATOM 0 H ASP A 71 3.510 -5.184 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 71 1.891 -7.533 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.730 -7.254 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.761 -6.043 -2.776 1.00 0.00 H new ATOM 1090 N ALA A 72 0.477 -4.860 -3.910 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.798 -4.140 -3.659 1.00 0.00 C ATOM 1092 C ALA A 72 -1.756 -4.176 -4.870 1.00 0.00 C ATOM 1093 O ALA A 72 -2.974 -4.266 -4.708 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.501 -2.686 -3.254 1.00 0.00 C ATOM 0 H ALA A 72 1.299 -4.318 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.307 -4.656 -2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.438 -2.161 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.103 -2.677 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.043 -2.188 -4.057 1.00 0.00 H new ATOM 1100 N THR A 73 -1.182 -4.106 -6.079 1.00 0.00 N ATOM 1101 CA THR A 73 -1.939 -4.250 -7.332 1.00 0.00 C ATOM 1102 C THR A 73 -2.302 -5.733 -7.594 1.00 0.00 C ATOM 1103 O THR A 73 -3.441 -6.040 -7.949 1.00 0.00 O ATOM 1104 CB THR A 73 -1.141 -3.667 -8.538 1.00 0.00 C ATOM 1105 OG1 THR A 73 -0.950 -2.253 -8.349 1.00 0.00 O ATOM 1106 CG2 THR A 73 -1.846 -3.916 -9.880 1.00 0.00 C ATOM 0 H THR A 73 -0.184 -3.949 -6.217 1.00 0.00 H new ATOM 0 HA THR A 73 -2.864 -3.683 -7.226 1.00 0.00 H new ATOM 0 HB THR A 73 -0.180 -4.179 -8.574 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.033 -2.084 -8.048 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.251 -3.491 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.959 -4.989 -10.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.829 -3.445 -9.867 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.316 -6.626 -7.391 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.441 -8.090 -7.607 1.00 0.00 C ATOM 1116 C ARG A 74 -2.608 -8.699 -6.792 1.00 0.00 C ATOM 1117 O ARG A 74 -3.410 -9.475 -7.319 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.091 -8.770 -7.248 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.047 -10.304 -7.400 1.00 0.00 C ATOM 1120 CD ARG A 74 1.334 -10.879 -7.031 1.00 0.00 C ATOM 1121 NE ARG A 74 1.378 -12.353 -7.150 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.390 -13.063 -7.676 1.00 0.00 C ATOM 1123 NH1 ARG A 74 3.445 -12.456 -8.206 1.00 0.00 N ATOM 1124 NH2 ARG A 74 2.331 -14.384 -7.672 1.00 0.00 N ATOM 0 H ARG A 74 -0.389 -6.350 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.673 -8.270 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.689 -8.340 -7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.157 -8.519 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.809 -10.754 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.290 -10.574 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.093 -10.441 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.584 -10.591 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 74 0.572 -12.874 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.495 -11.437 -8.218 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.206 -13.008 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.521 -14.857 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.095 -14.930 -8.070 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.703 -8.307 -5.518 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.766 -8.751 -4.603 1.00 0.00 C ATOM 1140 C VAL A 75 -5.114 -8.080 -4.955 1.00 0.00 C ATOM 1141 O VAL A 75 -6.171 -8.698 -4.806 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.361 -8.516 -3.094 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -3.126 -7.030 -2.774 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -4.377 -9.140 -2.108 1.00 0.00 C ATOM 0 H VAL A 75 -2.038 -7.666 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.896 -9.826 -4.731 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.411 -9.033 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.850 -6.923 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.322 -6.645 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.039 -6.467 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.054 -8.951 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.359 -8.694 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.435 -10.215 -2.278 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.063 -6.833 -5.477 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.268 -6.064 -5.850 1.00 0.00 C ATOM 1156 C ALA A 76 -6.974 -6.713 -7.054 1.00 0.00 C ATOM 1157 O ALA A 76 -8.201 -6.859 -7.069 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.889 -4.613 -6.184 1.00 0.00 C ATOM 0 H ALA A 76 -4.189 -6.336 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.953 -6.067 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.785 -4.057 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.425 -4.149 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.187 -4.603 -7.018 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.162 -7.125 -8.042 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.653 -7.753 -9.279 1.00 0.00 C ATOM 1166 C GLN A 77 -7.008 -9.228 -9.051 1.00 0.00 C ATOM 1167 O GLN A 77 -7.849 -9.785 -9.772 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.651 -7.583 -10.449 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.273 -8.216 -10.229 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.381 -8.128 -11.464 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -2.637 -7.160 -11.649 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.459 -9.133 -12.325 1.00 0.00 N ATOM 0 H GLN A 77 -5.147 -7.032 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.568 -7.234 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.091 -8.014 -11.348 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.517 -6.518 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.779 -7.720 -9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.399 -9.262 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.085 -9.916 -12.139 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.893 -9.123 -13.173 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.365 -9.857 -8.043 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.742 -11.199 -7.557 1.00 0.00 C ATOM 1183 C LYS A 78 -8.146 -11.164 -6.911 1.00 0.00 C ATOM 1184 O LYS A 78 -8.851 -12.172 -6.875 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.672 -11.721 -6.555 1.00 0.00 C ATOM 1186 CG LYS A 78 -5.885 -13.175 -6.073 1.00 0.00 C ATOM 1187 CD LYS A 78 -4.740 -13.696 -5.165 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.396 -13.835 -5.900 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.464 -14.823 -7.012 1.00 0.00 N ATOM 0 H LYS A 78 -5.573 -9.449 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.782 -11.887 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.691 -11.649 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.658 -11.064 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.827 -13.235 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.977 -13.828 -6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.616 -13.016 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.024 -14.665 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.098 -12.864 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.626 -14.140 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.509 -14.985 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.852 -15.720 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.078 -14.455 -7.766 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.544 -9.970 -6.421 1.00 0.00 N ATOM 1204 CA HIS A 79 -9.883 -9.736 -5.844 1.00 0.00 C ATOM 1205 C HIS A 79 -10.934 -9.356 -6.915 1.00 0.00 C ATOM 1206 O HIS A 79 -12.097 -9.150 -6.561 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.823 -8.651 -4.730 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.238 -9.128 -3.423 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -8.108 -8.588 -2.846 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -9.665 -10.085 -2.565 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -7.871 -9.190 -1.700 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.796 -10.102 -1.503 1.00 0.00 N ATOM 0 H HIS A 79 -7.946 -9.143 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.203 -10.680 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.233 -7.809 -5.092 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.831 -8.279 -4.548 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.543 -7.838 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.530 -10.718 -2.693 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.051 -8.971 -1.032 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.557 -9.291 -8.214 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.533 -9.018 -9.294 1.00 0.00 C ATOM 1223 C GLY A 80 -11.312 -7.720 -10.069 1.00 0.00 C ATOM 1224 O GLY A 80 -12.272 -6.996 -10.349 1.00 0.00 O ATOM 0 H GLY A 80 -9.598 -9.422 -8.536 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.511 -9.849 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.532 -8.995 -8.859 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.051 -7.419 -10.427 1.00 0.00 N ATOM 1229 CA LEU A 81 -9.723 -6.369 -11.432 1.00 0.00 C ATOM 1230 C LEU A 81 -9.052 -7.044 -12.637 1.00 0.00 C ATOM 1231 O LEU A 81 -8.228 -7.946 -12.465 1.00 0.00 O ATOM 1232 CB LEU A 81 -8.778 -5.239 -10.870 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.440 -4.074 -10.065 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -10.495 -3.342 -10.914 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -10.031 -4.561 -8.735 1.00 0.00 C ATOM 0 H LEU A 81 -9.232 -7.886 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.656 -5.880 -11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.035 -5.712 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.240 -4.802 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.653 -3.360 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.939 -2.537 -10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.021 -2.926 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.273 -4.045 -11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.481 -3.720 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.792 -5.316 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.240 -4.993 -8.122 1.00 0.00 H new ATOM 1466 N TYR A 95 3.476 7.503 -9.118 1.00 0.00 N ATOM 1467 CA TYR A 95 4.135 6.486 -8.279 1.00 0.00 C ATOM 1468 C TYR A 95 5.365 7.088 -7.593 1.00 0.00 C ATOM 1469 O TYR A 95 5.620 6.779 -6.446 1.00 0.00 O ATOM 1470 CB TYR A 95 4.545 5.236 -9.115 1.00 0.00 C ATOM 1471 CG TYR A 95 5.515 4.274 -8.392 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.098 3.507 -7.302 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.863 4.178 -8.774 1.00 0.00 C ATOM 1474 CE1 TYR A 95 5.978 2.674 -6.635 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.742 3.349 -8.104 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.293 2.602 -7.033 1.00 0.00 C ATOM 1477 OH TYR A 95 8.162 1.777 -6.358 1.00 0.00 O ATOM 0 HA TYR A 95 3.422 6.162 -7.521 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.645 4.686 -9.389 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.009 5.571 -10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.071 3.565 -6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.220 4.764 -9.608 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.633 2.080 -5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.774 3.286 -8.416 1.00 0.00 H new ATOM 0 HH TYR A 95 7.653 1.110 -5.851 1.00 0.00 H new ATOM 1487 N ASP A 96 6.110 7.947 -8.322 1.00 0.00 N ATOM 1488 CA ASP A 96 7.323 8.614 -7.801 1.00 0.00 C ATOM 1489 C ASP A 96 7.007 9.511 -6.587 1.00 0.00 C ATOM 1490 O ASP A 96 7.827 9.639 -5.678 1.00 0.00 O ATOM 1491 CB ASP A 96 8.008 9.445 -8.910 1.00 0.00 C ATOM 1492 CG ASP A 96 8.579 8.562 -10.026 1.00 0.00 C ATOM 1493 OD1 ASP A 96 7.841 8.243 -10.981 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.759 8.151 -9.938 1.00 0.00 O ATOM 0 H ASP A 96 5.888 8.197 -9.286 1.00 0.00 H new ATOM 0 HA ASP A 96 8.005 7.831 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.288 10.144 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.810 10.040 -8.473 1.00 0.00 H new ATOM 1499 N ALA A 97 5.803 10.107 -6.585 1.00 0.00 N ATOM 1500 CA ALA A 97 5.326 10.970 -5.487 1.00 0.00 C ATOM 1501 C ALA A 97 5.018 10.140 -4.217 1.00 0.00 C ATOM 1502 O ALA A 97 5.357 10.536 -3.100 1.00 0.00 O ATOM 1503 CB ALA A 97 4.099 11.770 -5.945 1.00 0.00 C ATOM 0 H ALA A 97 5.131 10.005 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 97 6.117 11.673 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.753 12.404 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.368 12.392 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.303 11.083 -6.233 1.00 0.00 H new ATOM 1509 N MET A 98 4.338 9.006 -4.405 1.00 0.00 N ATOM 1510 CA MET A 98 4.095 8.012 -3.331 1.00 0.00 C ATOM 1511 C MET A 98 5.418 7.385 -2.814 1.00 0.00 C ATOM 1512 O MET A 98 5.594 7.159 -1.619 1.00 0.00 O ATOM 1513 CB MET A 98 3.161 6.917 -3.897 1.00 0.00 C ATOM 1514 CG MET A 98 2.554 5.951 -2.868 1.00 0.00 C ATOM 1515 SD MET A 98 1.484 4.703 -3.631 1.00 0.00 S ATOM 1516 CE MET A 98 0.508 5.665 -4.781 1.00 0.00 C ATOM 0 H MET A 98 3.936 8.741 -5.304 1.00 0.00 H new ATOM 0 HA MET A 98 3.631 8.509 -2.479 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.346 7.404 -4.433 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.720 6.333 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.357 5.453 -2.325 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.979 6.519 -2.137 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.233 5.022 -5.256 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.002 6.468 -4.245 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.160 6.092 -5.543 1.00 0.00 H new ATOM 1526 N PHE A 99 6.315 7.121 -3.766 1.00 0.00 N ATOM 1527 CA PHE A 99 7.653 6.536 -3.543 1.00 0.00 C ATOM 1528 C PHE A 99 8.479 7.417 -2.592 1.00 0.00 C ATOM 1529 O PHE A 99 9.036 6.926 -1.598 1.00 0.00 O ATOM 1530 CB PHE A 99 8.364 6.379 -4.916 1.00 0.00 C ATOM 1531 CG PHE A 99 9.773 5.779 -4.878 1.00 0.00 C ATOM 1532 CD1 PHE A 99 9.962 4.397 -4.912 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.906 6.597 -4.812 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.231 3.855 -4.884 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.172 6.051 -4.782 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.335 4.680 -4.817 1.00 0.00 C ATOM 0 H PHE A 99 6.130 7.313 -4.751 1.00 0.00 H new ATOM 0 HA PHE A 99 7.553 5.557 -3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.741 5.754 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.421 7.360 -5.388 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.104 3.743 -4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.788 7.670 -4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 99 11.360 2.783 -4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.037 6.696 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.327 4.253 -4.792 1.00 0.00 H new ATOM 1546 N GLU A 100 8.531 8.729 -2.905 1.00 0.00 N ATOM 1547 CA GLU A 100 9.299 9.709 -2.124 1.00 0.00 C ATOM 1548 C GLU A 100 8.654 9.971 -0.745 1.00 0.00 C ATOM 1549 O GLU A 100 9.364 10.256 0.232 1.00 0.00 O ATOM 1550 CB GLU A 100 9.487 11.024 -2.904 1.00 0.00 C ATOM 1551 CG GLU A 100 8.188 11.775 -3.220 1.00 0.00 C ATOM 1552 CD GLU A 100 8.413 13.113 -3.918 1.00 0.00 C ATOM 1553 OE1 GLU A 100 8.721 13.118 -5.126 1.00 0.00 O ATOM 1554 OE2 GLU A 100 8.297 14.167 -3.256 1.00 0.00 O ATOM 0 H GLU A 100 8.042 9.133 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 100 10.285 9.279 -1.949 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.139 11.681 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.000 10.805 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.559 11.147 -3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.641 11.945 -2.293 1.00 0.00 H new ATOM 1561 N ASP A 101 7.313 9.859 -0.678 1.00 0.00 N ATOM 1562 CA ASP A 101 6.566 9.938 0.591 1.00 0.00 C ATOM 1563 C ASP A 101 7.044 8.829 1.546 1.00 0.00 C ATOM 1564 O ASP A 101 7.445 9.103 2.675 1.00 0.00 O ATOM 1565 CB ASP A 101 5.037 9.810 0.338 1.00 0.00 C ATOM 1566 CG ASP A 101 4.196 9.798 1.637 1.00 0.00 C ATOM 1567 OD1 ASP A 101 3.970 8.708 2.209 1.00 0.00 O ATOM 1568 OD2 ASP A 101 3.781 10.883 2.104 1.00 0.00 O ATOM 0 H ASP A 101 6.721 9.712 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 101 6.755 10.909 1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.710 10.639 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.844 8.893 -0.219 1.00 0.00 H new ATOM 1573 N ILE A 102 6.995 7.586 1.045 1.00 0.00 N ATOM 1574 CA ILE A 102 7.371 6.379 1.795 1.00 0.00 C ATOM 1575 C ILE A 102 8.872 6.366 2.192 1.00 0.00 C ATOM 1576 O ILE A 102 9.186 5.946 3.296 1.00 0.00 O ATOM 1577 CB ILE A 102 6.952 5.080 0.992 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.390 5.028 0.855 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.492 3.774 1.638 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.835 3.822 0.114 1.00 0.00 C ATOM 0 H ILE A 102 6.688 7.388 0.093 1.00 0.00 H new ATOM 0 HA ILE A 102 6.820 6.388 2.735 1.00 0.00 H new ATOM 0 HB ILE A 102 7.406 5.143 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.955 5.050 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.058 5.931 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.174 2.916 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.581 3.808 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.100 3.680 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.748 3.886 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.232 3.804 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.127 2.910 0.634 1.00 0.00 H new ATOM 1592 N ARG A 103 9.792 6.849 1.319 1.00 0.00 N ATOM 1593 CA ARG A 103 11.250 6.864 1.657 1.00 0.00 C ATOM 1594 C ARG A 103 11.562 7.892 2.760 1.00 0.00 C ATOM 1595 O ARG A 103 12.472 7.680 3.572 1.00 0.00 O ATOM 1596 CB ARG A 103 12.169 7.019 0.397 1.00 0.00 C ATOM 1597 CG ARG A 103 12.073 8.333 -0.411 1.00 0.00 C ATOM 1598 CD ARG A 103 12.959 9.483 0.108 1.00 0.00 C ATOM 1599 NE ARG A 103 12.919 10.630 -0.821 1.00 0.00 N ATOM 1600 CZ ARG A 103 12.215 11.763 -0.650 1.00 0.00 C ATOM 1601 NH1 ARG A 103 11.569 12.003 0.477 1.00 0.00 N ATOM 1602 NH2 ARG A 103 12.164 12.658 -1.621 1.00 0.00 N ATOM 0 H ARG A 103 9.566 7.225 0.398 1.00 0.00 H new ATOM 0 HA ARG A 103 11.490 5.882 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.203 6.900 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.950 6.193 -0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.343 8.126 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.035 8.666 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.618 9.795 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.986 9.135 0.221 1.00 0.00 H new ATOM 0 HE ARG A 103 13.477 10.556 -1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.599 11.323 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.040 12.868 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.658 12.489 -2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.631 13.518 -1.494 1.00 0.00 H new ATOM 1616 N ALA A 104 10.784 8.990 2.798 1.00 0.00 N ATOM 1617 CA ALA A 104 10.911 10.016 3.848 1.00 0.00 C ATOM 1618 C ALA A 104 10.304 9.512 5.169 1.00 0.00 C ATOM 1619 O ALA A 104 10.874 9.709 6.237 1.00 0.00 O ATOM 1620 CB ALA A 104 10.240 11.320 3.405 1.00 0.00 C ATOM 0 H ALA A 104 10.058 9.189 2.110 1.00 0.00 H new ATOM 0 HA ALA A 104 11.970 10.215 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.343 12.068 4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.717 11.683 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.183 11.138 3.213 1.00 0.00 H new ATOM 1626 N LYS A 105 9.113 8.899 5.068 1.00 0.00 N ATOM 1627 CA LYS A 105 8.384 8.275 6.193 1.00 0.00 C ATOM 1628 C LYS A 105 9.185 7.149 6.885 1.00 0.00 C ATOM 1629 O LYS A 105 9.189 7.047 8.112 1.00 0.00 O ATOM 1630 CB LYS A 105 7.035 7.725 5.649 1.00 0.00 C ATOM 1631 CG LYS A 105 5.956 7.453 6.708 1.00 0.00 C ATOM 1632 CD LYS A 105 5.529 8.726 7.462 1.00 0.00 C ATOM 1633 CE LYS A 105 4.398 8.459 8.459 1.00 0.00 C ATOM 1634 NZ LYS A 105 3.126 8.088 7.782 1.00 0.00 N ATOM 0 H LYS A 105 8.615 8.820 4.181 1.00 0.00 H new ATOM 0 HA LYS A 105 8.218 9.035 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.638 8.437 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.232 6.798 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.084 7.011 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.331 6.721 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.388 9.137 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.207 9.480 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.694 7.657 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.237 9.348 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.358 8.049 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.898 8.799 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.231 7.156 7.332 1.00 0.00 H new ATOM 1648 N LEU A 106 9.835 6.303 6.073 1.00 0.00 N ATOM 1649 CA LEU A 106 10.764 5.252 6.553 1.00 0.00 C ATOM 1650 C LEU A 106 11.969 5.862 7.293 1.00 0.00 C ATOM 1651 O LEU A 106 12.514 5.244 8.209 1.00 0.00 O ATOM 1652 CB LEU A 106 11.261 4.346 5.371 1.00 0.00 C ATOM 1653 CG LEU A 106 10.479 3.013 5.133 1.00 0.00 C ATOM 1654 CD1 LEU A 106 8.976 3.257 4.962 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.045 2.245 3.916 1.00 0.00 C ATOM 0 H LEU A 106 9.735 6.323 5.058 1.00 0.00 H new ATOM 0 HA LEU A 106 10.208 4.630 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.222 4.932 4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.308 4.100 5.548 1.00 0.00 H new ATOM 0 HG LEU A 106 10.616 2.399 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.469 2.306 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.580 3.730 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.808 3.909 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.482 1.322 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.958 2.864 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.094 2.007 4.092 1.00 0.00 H new ATOM 1667 N HIS A 107 12.381 7.063 6.863 1.00 0.00 N ATOM 1668 CA HIS A 107 13.452 7.827 7.525 1.00 0.00 C ATOM 1669 C HIS A 107 12.904 8.573 8.768 1.00 0.00 C ATOM 1670 O HIS A 107 13.686 8.991 9.639 1.00 0.00 O ATOM 1671 CB HIS A 107 14.090 8.813 6.507 1.00 0.00 C ATOM 1672 CG HIS A 107 15.289 9.570 7.026 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.525 8.984 7.199 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.429 10.855 7.429 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.367 9.873 7.681 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.728 11.018 7.828 1.00 0.00 N ATOM 0 H HIS A 107 11.984 7.532 6.049 1.00 0.00 H new ATOM 0 HA HIS A 107 14.223 7.140 7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.387 8.255 5.619 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.332 9.531 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.658 11.611 7.435 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.406 9.695 7.917 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.136 11.884 8.181 1.00 0.00 H new ATOM 1685 N ALA A 108 11.553 8.761 8.802 1.00 0.00 N ATOM 1686 CA ALA A 108 10.776 9.423 9.881 1.00 0.00 C ATOM 1687 C ALA A 108 10.780 10.946 9.702 1.00 0.00 C ATOM 1688 O ALA A 108 9.737 11.603 9.802 1.00 0.00 O ATOM 1689 CB ALA A 108 11.202 9.012 11.305 1.00 0.00 C ATOM 0 H ALA A 108 10.954 8.439 8.042 1.00 0.00 H new ATOM 0 HA ALA A 108 9.752 9.064 9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.587 9.539 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.071 7.937 11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.250 9.269 11.460 1.00 0.00 H new ATOM 1727 N GLY A 111 12.752 14.679 3.681 1.00 0.00 N ATOM 1728 CA GLY A 111 13.988 14.798 2.910 1.00 0.00 C ATOM 1729 C GLY A 111 13.701 14.806 1.421 1.00 0.00 C ATOM 1730 O GLY A 111 14.096 13.895 0.688 1.00 0.00 O ATOM 0 HA2 GLY A 111 14.508 15.715 3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.653 13.969 3.151 1.00 0.00 H new ATOM 1734 N GLU A 112 12.999 15.849 0.981 1.00 0.00 N ATOM 1735 CA GLU A 112 12.531 16.004 -0.412 1.00 0.00 C ATOM 1736 C GLU A 112 13.510 16.911 -1.201 1.00 0.00 C ATOM 1737 O GLU A 112 13.735 18.062 -0.804 1.00 0.00 O ATOM 1738 CB GLU A 112 11.060 16.544 -0.467 1.00 0.00 C ATOM 1739 CG GLU A 112 10.776 17.929 0.180 1.00 0.00 C ATOM 1740 CD GLU A 112 11.018 17.975 1.704 1.00 0.00 C ATOM 1741 OE1 GLU A 112 10.339 17.234 2.443 1.00 0.00 O ATOM 1742 OE2 GLU A 112 11.911 18.720 2.162 1.00 0.00 O ATOM 0 H GLU A 112 12.731 16.626 1.584 1.00 0.00 H new ATOM 0 HA GLU A 112 12.519 15.023 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.760 16.594 -1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.414 15.810 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.406 18.678 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.741 18.207 -0.021 1.00 0.00 H new ATOM 1749 N PRO A 113 14.160 16.378 -2.297 1.00 0.00 N ATOM 1750 CA PRO A 113 15.072 17.164 -3.165 1.00 0.00 C ATOM 1751 C PRO A 113 14.388 18.392 -3.802 1.00 0.00 C ATOM 1752 O PRO A 113 13.444 18.247 -4.593 1.00 0.00 O ATOM 1753 CB PRO A 113 15.522 16.146 -4.254 1.00 0.00 C ATOM 1754 CG PRO A 113 15.326 14.812 -3.611 1.00 0.00 C ATOM 1755 CD PRO A 113 14.099 14.962 -2.744 1.00 0.00 C ATOM 0 HA PRO A 113 15.902 17.582 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.925 16.243 -5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 113 16.562 16.302 -4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 113 15.186 14.032 -4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 113 16.195 14.531 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 113 13.186 14.757 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 113 14.118 14.273 -1.899 1.00 0.00 H new ATOM 1763 N VAL A 114 14.858 19.590 -3.416 1.00 0.00 N ATOM 1764 CA VAL A 114 14.439 20.858 -4.035 1.00 0.00 C ATOM 1765 C VAL A 114 15.045 20.969 -5.455 1.00 0.00 C ATOM 1766 O VAL A 114 16.201 20.598 -5.682 1.00 0.00 O ATOM 1767 CB VAL A 114 14.818 22.095 -3.125 1.00 0.00 C ATOM 1768 CG1 VAL A 114 16.328 22.116 -2.776 1.00 0.00 C ATOM 1769 CG2 VAL A 114 14.359 23.439 -3.762 1.00 0.00 C ATOM 0 H VAL A 114 15.539 19.706 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 114 13.353 20.867 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 114 14.275 21.978 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.545 22.982 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.590 21.205 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.913 22.177 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.637 24.265 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.841 23.566 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.277 23.429 -3.894 1.00 0.00 H new ATOM 1779 N ASP A 115 14.242 21.480 -6.400 1.00 0.00 N ATOM 1780 CA ASP A 115 14.565 21.477 -7.844 1.00 0.00 C ATOM 1781 C ASP A 115 15.617 22.526 -8.245 1.00 0.00 C ATOM 1782 O ASP A 115 15.936 22.619 -9.431 1.00 0.00 O ATOM 1783 CB ASP A 115 13.278 21.707 -8.685 1.00 0.00 C ATOM 1784 CG ASP A 115 12.237 20.594 -8.521 1.00 0.00 C ATOM 1785 OD1 ASP A 115 11.403 20.674 -7.593 1.00 0.00 O ATOM 1786 OD2 ASP A 115 12.243 19.643 -9.334 1.00 0.00 O ATOM 0 H ASP A 115 13.342 21.911 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 115 14.993 20.496 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.830 22.658 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.550 21.788 -9.737 1.00 0.00 H new ATOM 1791 N LEU A 116 16.162 23.307 -7.282 1.00 0.00 N ATOM 1792 CA LEU A 116 17.103 24.399 -7.597 1.00 0.00 C ATOM 1793 C LEU A 116 18.400 23.869 -8.246 1.00 0.00 C ATOM 1794 O LEU A 116 18.956 24.526 -9.124 1.00 0.00 O ATOM 1795 CB LEU A 116 17.351 25.309 -6.351 1.00 0.00 C ATOM 1796 CG LEU A 116 18.026 24.698 -5.063 1.00 0.00 C ATOM 1797 CD1 LEU A 116 19.568 24.597 -5.192 1.00 0.00 C ATOM 1798 CD2 LEU A 116 17.652 25.516 -3.796 1.00 0.00 C ATOM 0 H LEU A 116 15.965 23.199 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 116 16.643 25.038 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.968 26.147 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 116 16.387 25.720 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 116 17.637 23.685 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 116 19.982 24.170 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 116 19.821 23.958 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 116 19.986 25.591 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 116 18.131 25.073 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 116 17.992 26.545 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.570 25.505 -3.662 1.00 0.00 H new ATOM 1810 N GLU A 117 18.850 22.661 -7.842 1.00 0.00 N ATOM 1811 CA GLU A 117 20.009 21.993 -8.485 1.00 0.00 C ATOM 1812 C GLU A 117 19.632 21.517 -9.894 1.00 0.00 C ATOM 1813 O GLU A 117 20.421 21.643 -10.837 1.00 0.00 O ATOM 1814 CB GLU A 117 20.510 20.786 -7.647 1.00 0.00 C ATOM 1815 CG GLU A 117 21.785 20.098 -8.203 1.00 0.00 C ATOM 1816 CD GLU A 117 22.215 18.860 -7.399 1.00 0.00 C ATOM 1817 OE1 GLU A 117 21.748 17.743 -7.707 1.00 0.00 O ATOM 1818 OE2 GLU A 117 23.013 18.995 -6.449 1.00 0.00 O ATOM 0 H GLU A 117 18.433 22.129 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 117 20.815 22.724 -8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 117 20.710 21.124 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 117 19.711 20.047 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 117 21.608 19.806 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 117 22.603 20.818 -8.211 1.00 0.00 H new ATOM 1825 N ARG A 118 18.388 21.003 -10.017 1.00 0.00 N ATOM 1826 CA ARG A 118 17.832 20.445 -11.273 1.00 0.00 C ATOM 1827 C ARG A 118 17.794 21.510 -12.402 1.00 0.00 C ATOM 1828 O ARG A 118 17.812 21.157 -13.586 1.00 0.00 O ATOM 1829 CB ARG A 118 16.423 19.824 -10.966 1.00 0.00 C ATOM 1830 CG ARG A 118 15.703 19.079 -12.135 1.00 0.00 C ATOM 1831 CD ARG A 118 14.720 19.959 -12.937 1.00 0.00 C ATOM 1832 NE ARG A 118 13.536 20.357 -12.141 1.00 0.00 N ATOM 1833 CZ ARG A 118 12.696 21.359 -12.449 1.00 0.00 C ATOM 1834 NH1 ARG A 118 12.931 22.150 -13.489 1.00 0.00 N ATOM 1835 NH2 ARG A 118 11.622 21.568 -11.704 1.00 0.00 N ATOM 0 H ARG A 118 17.732 20.963 -9.237 1.00 0.00 H new ATOM 0 HA ARG A 118 18.481 19.653 -11.647 1.00 0.00 H new ATOM 0 HB2 ARG A 118 16.535 19.125 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.768 20.625 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 118 16.456 18.682 -12.816 1.00 0.00 H new ATOM 0 HG3 ARG A 118 15.160 18.226 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 118 15.238 20.853 -13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 118 14.392 19.416 -13.824 1.00 0.00 H new ATOM 0 HE ARG A 118 13.343 19.828 -11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.758 22.001 -14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 118 12.284 22.907 -13.711 1.00 0.00 H new ATOM 0 HH21 ARG A 118 11.435 20.969 -10.900 1.00 0.00 H new ATOM 0 HH22 ARG A 118 10.982 22.328 -11.934 1.00 0.00 H new ATOM 1849 N ILE A 119 17.818 22.813 -12.026 1.00 0.00 N ATOM 1850 CA ILE A 119 17.801 23.931 -12.992 1.00 0.00 C ATOM 1851 C ILE A 119 19.200 24.076 -13.638 1.00 0.00 C ATOM 1852 O ILE A 119 19.332 24.437 -14.814 1.00 0.00 O ATOM 1853 CB ILE A 119 17.370 25.288 -12.303 1.00 0.00 C ATOM 1854 CG1 ILE A 119 16.045 25.119 -11.485 1.00 0.00 C ATOM 1855 CG2 ILE A 119 17.230 26.443 -13.334 1.00 0.00 C ATOM 1856 CD1 ILE A 119 14.834 24.652 -12.281 1.00 0.00 C ATOM 0 H ILE A 119 17.849 23.113 -11.052 1.00 0.00 H new ATOM 0 HA ILE A 119 17.064 23.707 -13.763 1.00 0.00 H new ATOM 0 HB ILE A 119 18.168 25.556 -11.610 1.00 0.00 H new ATOM 0 HG12 ILE A 119 16.225 24.406 -10.680 1.00 0.00 H new ATOM 0 HG13 ILE A 119 15.804 26.074 -11.018 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.933 27.356 -12.819 1.00 0.00 H new ATOM 0 HG22 ILE A 119 18.186 26.603 -13.833 1.00 0.00 H new ATOM 0 HG23 ILE A 119 16.473 26.181 -14.074 1.00 0.00 H new ATOM 0 HD11 ILE A 119 13.973 24.569 -11.618 1.00 0.00 H new ATOM 0 HD12 ILE A 119 14.617 25.373 -13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 119 15.044 23.680 -12.726 1.00 0.00 H new ATOM 1868 N ILE A 120 20.237 23.770 -12.846 1.00 0.00 N ATOM 1869 CA ILE A 120 21.646 23.863 -13.265 1.00 0.00 C ATOM 1870 C ILE A 120 22.052 22.595 -14.051 1.00 0.00 C ATOM 1871 O ILE A 120 22.937 22.659 -14.917 1.00 0.00 O ATOM 1872 CB ILE A 120 22.601 24.097 -12.009 1.00 0.00 C ATOM 1873 CG1 ILE A 120 22.453 25.549 -11.423 1.00 0.00 C ATOM 1874 CG2 ILE A 120 24.095 23.828 -12.336 1.00 0.00 C ATOM 1875 CD1 ILE A 120 21.104 25.920 -10.853 1.00 0.00 C ATOM 0 H ILE A 120 20.122 23.447 -11.885 1.00 0.00 H new ATOM 0 HA ILE A 120 21.757 24.724 -13.924 1.00 0.00 H new ATOM 0 HB ILE A 120 22.278 23.374 -11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 120 23.200 25.677 -10.639 1.00 0.00 H new ATOM 0 HG13 ILE A 120 22.695 26.260 -12.213 1.00 0.00 H new ATOM 0 HG21 ILE A 120 24.699 24.003 -11.446 1.00 0.00 H new ATOM 0 HG22 ILE A 120 24.216 22.794 -12.660 1.00 0.00 H new ATOM 0 HG23 ILE A 120 24.420 24.498 -13.132 1.00 0.00 H new ATOM 0 HD11 ILE A 120 21.135 26.945 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 120 20.345 25.838 -11.631 1.00 0.00 H new ATOM 0 HD13 ILE A 120 20.857 25.245 -10.033 1.00 0.00 H new ATOM 1887 N ARG A 121 21.375 21.456 -13.766 1.00 0.00 N ATOM 1888 CA ARG A 121 21.689 20.147 -14.386 1.00 0.00 C ATOM 1889 C ARG A 121 21.470 20.171 -15.920 1.00 0.00 C ATOM 1890 O ARG A 121 20.363 19.927 -16.414 1.00 0.00 O ATOM 1891 CB ARG A 121 20.874 18.999 -13.728 1.00 0.00 C ATOM 1892 CG ARG A 121 21.147 18.795 -12.221 1.00 0.00 C ATOM 1893 CD ARG A 121 22.631 18.517 -11.904 1.00 0.00 C ATOM 1894 NE ARG A 121 23.135 17.312 -12.596 1.00 0.00 N ATOM 1895 CZ ARG A 121 24.429 17.012 -12.793 1.00 0.00 C ATOM 1896 NH1 ARG A 121 25.399 17.806 -12.343 1.00 0.00 N ATOM 1897 NH2 ARG A 121 24.743 15.905 -13.442 1.00 0.00 N ATOM 0 H ARG A 121 20.600 21.419 -13.104 1.00 0.00 H new ATOM 0 HA ARG A 121 22.747 19.954 -14.207 1.00 0.00 H new ATOM 0 HB2 ARG A 121 19.812 19.200 -13.867 1.00 0.00 H new ATOM 0 HB3 ARG A 121 21.094 18.069 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 121 20.826 19.683 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 121 20.543 17.963 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 121 23.231 19.379 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 121 22.754 18.394 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 121 22.443 16.654 -12.953 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.165 18.661 -11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 121 26.376 17.559 -12.504 1.00 0.00 H new ATOM 0 HH21 ARG A 121 24.006 15.290 -13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 121 25.722 15.666 -13.598 1.00 0.00 H new