USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 SER OG : rot -137:sc= 1.07 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 137 GLN : amide:sc= -0.27 K(o=0.8,f=-5.5!) USER MOD Single : A 78 THR OG1 : rot -38:sc= -1.18 USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.259 (180deg=-0.981) USER MOD Single : A 81 HIS : no HD1:sc= -4.02! C(o=-4!,f=-5.3!) USER MOD Single : A 84 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.19) USER MOD Single : A 89 CYS SG : rot 87:sc= 1.53 USER MOD Single : A 90 THR OG1 : rot 180:sc= -2.23 USER MOD Single : A 91 ASN : amide:sc= -0.848 K(o=-0.85,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -112:sc= -0.682 (180deg=-1.15) USER MOD Single : A 101 TYR OH : rot -30:sc= 0 USER MOD Single : A 107 CYS SG : rot 150:sc= -1.42 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 120:sc= -0.87 USER MOD Single : A 117 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.057) USER MOD Single : A 118 MET CE :methyl 148:sc= -2.99! (180deg=-3.17) USER MOD Single : A 133 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 134 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 173:sc= -0.126 (180deg=-0.254) USER MOD Single : A 142 HIS : no HE2:sc= -0.239 K(o=-0.24,f=-0.83) USER MOD Single : A 144 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.773 13.096 9.151 1.00 0.00 N ATOM 110 CA THR A 78 -2.949 12.526 8.505 1.00 0.00 C ATOM 111 C THR A 78 -3.173 11.084 8.947 1.00 0.00 C ATOM 112 O THR A 78 -2.240 10.401 9.369 1.00 0.00 O ATOM 113 CB THR A 78 -2.822 12.567 6.971 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.454 12.394 6.587 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.346 13.885 6.420 1.00 0.00 C ATOM 0 HA THR A 78 -3.802 13.133 8.808 1.00 0.00 H new ATOM 0 HB THR A 78 -3.420 11.755 6.558 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.874 12.863 7.223 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.246 13.891 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.396 14.000 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.772 14.710 6.842 1.00 0.00 H new ATOM 123 N LYS A 79 -4.416 10.626 8.846 1.00 0.00 N ATOM 124 CA LYS A 79 -4.764 9.264 9.233 1.00 0.00 C ATOM 125 C LYS A 79 -5.520 8.556 8.113 1.00 0.00 C ATOM 126 O LYS A 79 -6.539 9.051 7.629 1.00 0.00 O ATOM 127 CB LYS A 79 -5.611 9.274 10.507 1.00 0.00 C ATOM 128 CG LYS A 79 -5.860 7.891 11.083 1.00 0.00 C ATOM 129 CD LYS A 79 -4.806 7.518 12.113 1.00 0.00 C ATOM 130 CE LYS A 79 -3.626 6.805 11.470 1.00 0.00 C ATOM 131 NZ LYS A 79 -2.997 5.826 12.398 1.00 0.00 N ATOM 0 H LYS A 79 -5.200 11.179 8.499 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.839 8.720 9.423 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.114 9.887 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.569 9.747 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.847 7.860 11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.860 7.155 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.457 8.418 12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.250 6.876 12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.960 6.289 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.883 7.540 11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.484 5.107 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.332 6.321 13.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.734 5.365 12.969 1.00 0.00 H new ATOM 145 N LEU A 80 -5.016 7.397 7.705 1.00 0.00 N ATOM 146 CA LEU A 80 -5.645 6.620 6.642 1.00 0.00 C ATOM 147 C LEU A 80 -6.171 5.292 7.177 1.00 0.00 C ATOM 148 O LEU A 80 -5.403 4.451 7.645 1.00 0.00 O ATOM 149 CB LEU A 80 -4.648 6.368 5.510 1.00 0.00 C ATOM 150 CG LEU A 80 -3.787 7.561 5.095 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.751 7.139 4.064 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.658 8.683 4.549 1.00 0.00 C ATOM 0 H LEU A 80 -4.173 6.974 8.094 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.487 7.194 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.987 5.555 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.201 6.023 4.636 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.263 7.930 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.148 8.001 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.107 6.369 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.255 6.744 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.028 9.524 4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.209 8.325 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.361 9.005 5.317 1.00 0.00 H new ATOM 164 N HIS A 81 -7.486 5.110 7.103 1.00 0.00 N ATOM 165 CA HIS A 81 -8.115 3.882 7.577 1.00 0.00 C ATOM 166 C HIS A 81 -8.180 2.840 6.464 1.00 0.00 C ATOM 167 O HIS A 81 -8.524 3.154 5.325 1.00 0.00 O ATOM 168 CB HIS A 81 -9.522 4.175 8.100 1.00 0.00 C ATOM 169 CG HIS A 81 -10.276 2.947 8.510 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.463 1.866 7.675 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.890 2.633 9.674 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.161 0.940 8.308 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.433 1.381 9.523 1.00 0.00 N ATOM 0 H HIS A 81 -8.136 5.796 6.720 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.509 3.482 8.390 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.450 4.849 8.953 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.087 4.697 7.328 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.943 3.252 10.557 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.459 -0.015 7.901 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.961 0.874 10.234 1.00 0.00 H new ATOM 182 N VAL A 82 -7.847 1.599 6.803 1.00 0.00 N ATOM 183 CA VAL A 82 -7.868 0.510 5.833 1.00 0.00 C ATOM 184 C VAL A 82 -8.776 -0.623 6.298 1.00 0.00 C ATOM 185 O VAL A 82 -8.895 -0.886 7.494 1.00 0.00 O ATOM 186 CB VAL A 82 -6.454 -0.048 5.586 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.404 -0.813 4.272 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.429 1.076 5.597 1.00 0.00 C ATOM 0 H VAL A 82 -7.559 1.322 7.742 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.256 0.923 4.902 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.209 -0.740 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.397 -1.200 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.110 -1.643 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.669 -0.145 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.435 0.664 5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.668 1.794 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.448 1.576 6.565 1.00 0.00 H new ATOM 198 N GLY A 83 -9.414 -1.292 5.343 1.00 0.00 N ATOM 199 CA GLY A 83 -10.304 -2.390 5.675 1.00 0.00 C ATOM 200 C GLY A 83 -9.991 -3.647 4.887 1.00 0.00 C ATOM 201 O GLY A 83 -9.290 -3.597 3.878 1.00 0.00 O ATOM 0 H GLY A 83 -9.331 -1.094 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.229 -2.605 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.334 -2.090 5.482 1.00 0.00 H new ATOM 205 N ASN A 84 -10.513 -4.779 5.350 1.00 0.00 N ATOM 206 CA ASN A 84 -10.284 -6.055 4.682 1.00 0.00 C ATOM 207 C ASN A 84 -8.795 -6.384 4.634 1.00 0.00 C ATOM 208 O ASN A 84 -8.238 -6.631 3.564 1.00 0.00 O ATOM 209 CB ASN A 84 -10.857 -6.022 3.264 1.00 0.00 C ATOM 210 CG ASN A 84 -11.321 -7.388 2.796 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.362 -7.884 3.227 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.547 -8.004 1.909 1.00 0.00 N ATOM 0 H ASN A 84 -11.097 -4.838 6.184 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.791 -6.832 5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.695 -5.325 3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.099 -5.644 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.807 -8.926 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.692 -7.555 1.579 1.00 0.00 H new ATOM 219 N ILE A 85 -8.158 -6.387 5.799 1.00 0.00 N ATOM 220 CA ILE A 85 -6.734 -6.688 5.890 1.00 0.00 C ATOM 221 C ILE A 85 -6.497 -8.188 6.021 1.00 0.00 C ATOM 222 O ILE A 85 -7.395 -8.938 6.404 1.00 0.00 O ATOM 223 CB ILE A 85 -6.082 -5.970 7.087 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.646 -4.554 7.228 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.570 -5.930 6.921 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.155 -3.599 6.163 1.00 0.00 C ATOM 0 H ILE A 85 -8.605 -6.185 6.693 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.276 -6.329 4.968 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.313 -6.526 7.996 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.734 -4.600 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.378 -4.161 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.124 -5.420 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.183 -6.947 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.319 -5.394 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.595 -2.615 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.069 -3.523 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.446 -3.969 5.180 1.00 0.00 H new ATOM 238 N SER A 86 -5.280 -8.619 5.703 1.00 0.00 N ATOM 239 CA SER A 86 -4.924 -10.031 5.783 1.00 0.00 C ATOM 240 C SER A 86 -4.605 -10.430 7.221 1.00 0.00 C ATOM 241 O SER A 86 -4.101 -9.636 8.015 1.00 0.00 O ATOM 242 CB SER A 86 -3.725 -10.329 4.881 1.00 0.00 C ATOM 243 OG SER A 86 -3.072 -11.522 5.278 1.00 0.00 O ATOM 0 H SER A 86 -4.524 -8.011 5.388 1.00 0.00 H new ATOM 0 HA SER A 86 -5.779 -10.616 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.058 -10.420 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.022 -9.497 4.918 1.00 0.00 H new ATOM 0 HG SER A 86 -2.102 -11.386 5.257 1.00 0.00 H new ATOM 249 N PRO A 87 -4.905 -11.691 7.565 1.00 0.00 N ATOM 250 CA PRO A 87 -4.659 -12.226 8.907 1.00 0.00 C ATOM 251 C PRO A 87 -3.172 -12.397 9.199 1.00 0.00 C ATOM 252 O PRO A 87 -2.773 -12.604 10.346 1.00 0.00 O ATOM 253 CB PRO A 87 -5.359 -13.587 8.881 1.00 0.00 C ATOM 254 CG PRO A 87 -5.378 -13.975 7.443 1.00 0.00 C ATOM 255 CD PRO A 87 -5.508 -12.693 6.669 1.00 0.00 C ATOM 0 HA PRO A 87 -5.027 -11.558 9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.821 -14.320 9.482 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.369 -13.521 9.287 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.465 -14.505 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.211 -14.645 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.985 -12.745 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.550 -12.460 6.449 1.00 0.00 H new ATOM 263 N THR A 88 -2.354 -12.307 8.155 1.00 0.00 N ATOM 264 CA THR A 88 -0.912 -12.453 8.300 1.00 0.00 C ATOM 265 C THR A 88 -0.188 -11.168 7.913 1.00 0.00 C ATOM 266 O THR A 88 1.029 -11.163 7.722 1.00 0.00 O ATOM 267 CB THR A 88 -0.374 -13.610 7.437 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.546 -13.307 6.048 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.090 -14.911 7.770 1.00 0.00 C ATOM 0 H THR A 88 -2.666 -12.134 7.200 1.00 0.00 H new ATOM 0 HA THR A 88 -0.721 -12.674 9.350 1.00 0.00 H new ATOM 0 HB THR A 88 0.687 -13.732 7.653 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.200 -14.047 5.506 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.694 -15.714 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.933 -15.154 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.157 -14.798 7.580 1.00 0.00 H new ATOM 277 N CYS A 89 -0.943 -10.081 7.799 1.00 0.00 N ATOM 278 CA CYS A 89 -0.373 -8.789 7.434 1.00 0.00 C ATOM 279 C CYS A 89 0.693 -8.362 8.438 1.00 0.00 C ATOM 280 O CYS A 89 0.541 -8.561 9.644 1.00 0.00 O ATOM 281 CB CYS A 89 -1.471 -7.727 7.356 1.00 0.00 C ATOM 282 SG CYS A 89 -0.946 -6.178 6.586 1.00 0.00 S ATOM 0 H CYS A 89 -1.951 -10.069 7.954 1.00 0.00 H new ATOM 0 HA CYS A 89 0.095 -8.890 6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.314 -8.132 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.830 -7.516 8.363 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.093 -6.262 5.297 1.00 0.00 H new ATOM 288 N THR A 90 1.773 -7.775 7.933 1.00 0.00 N ATOM 289 CA THR A 90 2.866 -7.323 8.785 1.00 0.00 C ATOM 290 C THR A 90 3.029 -5.809 8.713 1.00 0.00 C ATOM 291 O THR A 90 2.964 -5.219 7.636 1.00 0.00 O ATOM 292 CB THR A 90 4.198 -7.990 8.392 1.00 0.00 C ATOM 293 OG1 THR A 90 4.419 -7.850 6.984 1.00 0.00 O ATOM 294 CG2 THR A 90 4.196 -9.464 8.767 1.00 0.00 C ATOM 0 H THR A 90 1.914 -7.601 6.938 1.00 0.00 H new ATOM 0 HA THR A 90 2.611 -7.611 9.805 1.00 0.00 H new ATOM 0 HB THR A 90 5.002 -7.495 8.936 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.268 -8.275 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.146 -9.914 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 90 4.057 -9.565 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.383 -9.971 8.247 1.00 0.00 H new ATOM 302 N ASN A 91 3.241 -5.185 9.868 1.00 0.00 N ATOM 303 CA ASN A 91 3.413 -3.739 9.935 1.00 0.00 C ATOM 304 C ASN A 91 4.428 -3.263 8.901 1.00 0.00 C ATOM 305 O ASN A 91 4.248 -2.219 8.275 1.00 0.00 O ATOM 306 CB ASN A 91 3.863 -3.323 11.337 1.00 0.00 C ATOM 307 CG ASN A 91 2.694 -3.024 12.255 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.264 -3.880 13.029 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.173 -1.806 12.172 1.00 0.00 N ATOM 0 H ASN A 91 3.298 -5.659 10.770 1.00 0.00 H new ATOM 0 HA ASN A 91 2.452 -3.273 9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.469 -4.118 11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.499 -2.441 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.384 -1.547 12.764 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.562 -1.129 11.516 1.00 0.00 H new ATOM 316 N GLN A 92 5.495 -4.037 8.727 1.00 0.00 N ATOM 317 CA GLN A 92 6.539 -3.694 7.768 1.00 0.00 C ATOM 318 C GLN A 92 6.013 -3.775 6.339 1.00 0.00 C ATOM 319 O GLN A 92 6.523 -3.106 5.441 1.00 0.00 O ATOM 320 CB GLN A 92 7.740 -4.626 7.936 1.00 0.00 C ATOM 321 CG GLN A 92 9.061 -3.995 7.525 1.00 0.00 C ATOM 322 CD GLN A 92 10.260 -4.728 8.094 1.00 0.00 C ATOM 323 OE1 GLN A 92 10.624 -4.539 9.255 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.881 -5.571 7.278 1.00 0.00 N ATOM 0 H GLN A 92 5.659 -4.905 9.237 1.00 0.00 H new ATOM 0 HA GLN A 92 6.854 -2.669 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.804 -4.938 8.978 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.577 -5.526 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.130 -3.982 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.083 -2.957 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.545 -5.697 6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.694 -6.093 7.606 1.00 0.00 H new ATOM 333 N GLU A 93 4.990 -4.600 6.135 1.00 0.00 N ATOM 334 CA GLU A 93 4.397 -4.769 4.814 1.00 0.00 C ATOM 335 C GLU A 93 3.456 -3.612 4.488 1.00 0.00 C ATOM 336 O GLU A 93 3.573 -2.980 3.438 1.00 0.00 O ATOM 337 CB GLU A 93 3.638 -6.095 4.737 1.00 0.00 C ATOM 338 CG GLU A 93 4.500 -7.264 4.291 1.00 0.00 C ATOM 339 CD GLU A 93 4.546 -7.413 2.782 1.00 0.00 C ATOM 340 OE1 GLU A 93 3.468 -7.528 2.163 1.00 0.00 O ATOM 341 OE2 GLU A 93 5.662 -7.414 2.221 1.00 0.00 O ATOM 0 H GLU A 93 4.555 -5.161 6.868 1.00 0.00 H new ATOM 0 HA GLU A 93 5.203 -4.777 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.215 -6.319 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.802 -5.986 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.513 -7.129 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.115 -8.184 4.732 1.00 0.00 H new ATOM 348 N LEU A 94 2.524 -3.342 5.395 1.00 0.00 N ATOM 349 CA LEU A 94 1.562 -2.263 5.206 1.00 0.00 C ATOM 350 C LEU A 94 2.261 -0.907 5.192 1.00 0.00 C ATOM 351 O LEU A 94 2.154 -0.153 4.225 1.00 0.00 O ATOM 352 CB LEU A 94 0.506 -2.294 6.312 1.00 0.00 C ATOM 353 CG LEU A 94 -0.790 -1.536 6.024 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.424 -2.033 4.734 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.761 -1.679 7.187 1.00 0.00 C ATOM 0 H LEU A 94 2.414 -3.856 6.269 1.00 0.00 H new ATOM 0 HA LEU A 94 1.074 -2.410 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.256 -3.335 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.948 -1.885 7.221 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.551 -0.479 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.345 -1.482 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.733 -1.878 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.649 -3.096 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.678 -1.133 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.994 -2.733 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.308 -1.274 8.091 1.00 0.00 H new ATOM 367 N ARG A 95 2.977 -0.605 6.270 1.00 0.00 N ATOM 368 CA ARG A 95 3.694 0.660 6.381 1.00 0.00 C ATOM 369 C ARG A 95 4.572 0.896 5.155 1.00 0.00 C ATOM 370 O ARG A 95 4.403 1.882 4.440 1.00 0.00 O ATOM 371 CB ARG A 95 4.553 0.674 7.647 1.00 0.00 C ATOM 372 CG ARG A 95 5.496 1.863 7.730 1.00 0.00 C ATOM 373 CD ARG A 95 6.475 1.718 8.885 1.00 0.00 C ATOM 374 NE ARG A 95 7.507 2.751 8.861 1.00 0.00 N ATOM 375 CZ ARG A 95 7.346 3.963 9.380 1.00 0.00 C ATOM 376 NH1 ARG A 95 6.201 4.292 9.962 1.00 0.00 N ATOM 377 NH2 ARG A 95 8.332 4.848 9.319 1.00 0.00 N ATOM 0 H ARG A 95 3.076 -1.219 7.079 1.00 0.00 H new ATOM 0 HA ARG A 95 2.959 1.462 6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.899 0.678 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.137 -0.246 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.047 1.958 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.918 2.779 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.932 1.770 9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.945 0.735 8.841 1.00 0.00 H new ATOM 0 HE ARG A 95 8.400 2.530 8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.441 3.614 10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.080 5.223 10.360 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.215 4.598 8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.207 5.779 9.718 1.00 0.00 H new ATOM 391 N ALA A 96 5.510 -0.016 4.921 1.00 0.00 N ATOM 392 CA ALA A 96 6.414 0.092 3.783 1.00 0.00 C ATOM 393 C ALA A 96 5.662 0.509 2.523 1.00 0.00 C ATOM 394 O ALA A 96 6.040 1.468 1.850 1.00 0.00 O ATOM 395 CB ALA A 96 7.137 -1.227 3.555 1.00 0.00 C ATOM 0 H ALA A 96 5.663 -0.838 5.505 1.00 0.00 H new ATOM 0 HA ALA A 96 7.151 0.863 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.809 -1.131 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.714 -1.484 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.408 -2.012 3.356 1.00 0.00 H new ATOM 401 N LYS A 97 4.595 -0.218 2.208 1.00 0.00 N ATOM 402 CA LYS A 97 3.789 0.076 1.030 1.00 0.00 C ATOM 403 C LYS A 97 3.342 1.534 1.026 1.00 0.00 C ATOM 404 O LYS A 97 3.379 2.202 -0.008 1.00 0.00 O ATOM 405 CB LYS A 97 2.566 -0.843 0.981 1.00 0.00 C ATOM 406 CG LYS A 97 1.504 -0.391 -0.006 1.00 0.00 C ATOM 407 CD LYS A 97 0.276 -1.284 0.047 1.00 0.00 C ATOM 408 CE LYS A 97 0.391 -2.449 -0.924 1.00 0.00 C ATOM 409 NZ LYS A 97 0.556 -1.985 -2.329 1.00 0.00 N ATOM 0 H LYS A 97 4.269 -1.016 2.753 1.00 0.00 H new ATOM 0 HA LYS A 97 4.404 -0.100 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.889 -1.850 0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.125 -0.900 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.217 0.637 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.917 -0.398 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.145 -1.665 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.612 -0.698 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.241 -3.072 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.500 -3.073 -0.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.295 -2.226 -2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.694 -0.954 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.384 -2.450 -2.753 1.00 0.00 H new ATOM 423 N PHE A 98 2.922 2.023 2.188 1.00 0.00 N ATOM 424 CA PHE A 98 2.468 3.402 2.318 1.00 0.00 C ATOM 425 C PHE A 98 3.649 4.368 2.284 1.00 0.00 C ATOM 426 O PHE A 98 3.514 5.514 1.856 1.00 0.00 O ATOM 427 CB PHE A 98 1.684 3.583 3.620 1.00 0.00 C ATOM 428 CG PHE A 98 0.220 3.280 3.484 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.245 1.979 3.590 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.693 4.297 3.250 1.00 0.00 C ATOM 431 CE1 PHE A 98 -1.593 1.697 3.466 1.00 0.00 C ATOM 432 CE2 PHE A 98 -2.041 4.021 3.126 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.492 2.719 3.232 1.00 0.00 C ATOM 0 H PHE A 98 2.887 1.484 3.053 1.00 0.00 H new ATOM 0 HA PHE A 98 1.814 3.624 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.111 2.935 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.804 4.609 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.454 1.176 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.346 5.316 3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.942 0.679 3.552 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.742 4.823 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.545 2.501 3.132 1.00 0.00 H new ATOM 443 N GLU A 99 4.806 3.896 2.740 1.00 0.00 N ATOM 444 CA GLU A 99 6.010 4.718 2.763 1.00 0.00 C ATOM 445 C GLU A 99 6.433 5.103 1.348 1.00 0.00 C ATOM 446 O GLU A 99 7.087 6.125 1.141 1.00 0.00 O ATOM 447 CB GLU A 99 7.149 3.975 3.463 1.00 0.00 C ATOM 448 CG GLU A 99 7.093 4.065 4.979 1.00 0.00 C ATOM 449 CD GLU A 99 8.407 3.688 5.635 1.00 0.00 C ATOM 450 OE1 GLU A 99 9.269 4.579 5.789 1.00 0.00 O ATOM 451 OE2 GLU A 99 8.574 2.504 5.994 1.00 0.00 O ATOM 0 H GLU A 99 4.934 2.950 3.098 1.00 0.00 H new ATOM 0 HA GLU A 99 5.786 5.629 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.122 2.926 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.101 4.379 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.825 5.081 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.305 3.409 5.349 1.00 0.00 H new ATOM 458 N GLU A 100 6.056 4.275 0.378 1.00 0.00 N ATOM 459 CA GLU A 100 6.398 4.528 -1.017 1.00 0.00 C ATOM 460 C GLU A 100 5.790 5.842 -1.497 1.00 0.00 C ATOM 461 O GLU A 100 6.267 6.445 -2.458 1.00 0.00 O ATOM 462 CB GLU A 100 5.914 3.376 -1.900 1.00 0.00 C ATOM 463 CG GLU A 100 6.803 2.146 -1.838 1.00 0.00 C ATOM 464 CD GLU A 100 6.571 1.199 -3.000 1.00 0.00 C ATOM 465 OE1 GLU A 100 5.704 0.309 -2.875 1.00 0.00 O ATOM 466 OE2 GLU A 100 7.257 1.348 -4.033 1.00 0.00 O ATOM 0 H GLU A 100 5.514 3.425 0.532 1.00 0.00 H new ATOM 0 HA GLU A 100 7.483 4.602 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.904 3.099 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.856 3.720 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.848 2.457 -1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.621 1.618 -0.902 1.00 0.00 H new ATOM 473 N TYR A 101 4.733 6.280 -0.821 1.00 0.00 N ATOM 474 CA TYR A 101 4.057 7.521 -1.179 1.00 0.00 C ATOM 475 C TYR A 101 4.611 8.694 -0.377 1.00 0.00 C ATOM 476 O TYR A 101 4.949 9.738 -0.934 1.00 0.00 O ATOM 477 CB TYR A 101 2.551 7.392 -0.943 1.00 0.00 C ATOM 478 CG TYR A 101 1.886 6.359 -1.824 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.923 5.010 -1.496 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.221 6.733 -2.985 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.317 4.062 -2.298 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.611 5.793 -3.793 1.00 0.00 C ATOM 483 CZ TYR A 101 0.662 4.459 -3.446 1.00 0.00 C ATOM 484 OH TYR A 101 0.057 3.518 -4.247 1.00 0.00 O ATOM 0 H TYR A 101 4.326 5.794 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 101 4.237 7.711 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.376 7.133 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.081 8.360 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.435 4.696 -0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.180 7.776 -3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.356 3.017 -2.028 1.00 0.00 H new ATOM 0 HE2 TYR A 101 0.097 6.101 -4.692 1.00 0.00 H new ATOM 0 HH TYR A 101 0.542 2.669 -4.178 1.00 0.00 H new ATOM 494 N GLY A 102 4.700 8.514 0.938 1.00 0.00 N ATOM 495 CA GLY A 102 5.213 9.565 1.797 1.00 0.00 C ATOM 496 C GLY A 102 5.861 9.021 3.055 1.00 0.00 C ATOM 497 O GLY A 102 5.792 7.827 3.348 1.00 0.00 O ATOM 0 H GLY A 102 4.426 7.659 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.941 10.159 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.399 10.235 2.072 1.00 0.00 H new ATOM 501 N PRO A 103 6.509 9.909 3.823 1.00 0.00 N ATOM 502 CA PRO A 103 7.185 9.533 5.069 1.00 0.00 C ATOM 503 C PRO A 103 6.202 9.151 6.170 1.00 0.00 C ATOM 504 O PRO A 103 5.841 9.977 7.008 1.00 0.00 O ATOM 505 CB PRO A 103 7.951 10.801 5.453 1.00 0.00 C ATOM 506 CG PRO A 103 7.192 11.911 4.813 1.00 0.00 C ATOM 507 CD PRO A 103 6.632 11.347 3.536 1.00 0.00 C ATOM 0 HA PRO A 103 7.820 8.657 4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.995 10.924 6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.980 10.766 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.394 12.266 5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.842 12.763 4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.668 11.791 3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.294 11.533 2.690 1.00 0.00 H new ATOM 515 N VAL A 104 5.772 7.893 6.162 1.00 0.00 N ATOM 516 CA VAL A 104 4.831 7.401 7.162 1.00 0.00 C ATOM 517 C VAL A 104 5.274 7.784 8.569 1.00 0.00 C ATOM 518 O VAL A 104 6.467 7.800 8.872 1.00 0.00 O ATOM 519 CB VAL A 104 4.678 5.870 7.082 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.696 5.377 8.134 1.00 0.00 C ATOM 521 CG2 VAL A 104 4.235 5.451 5.689 1.00 0.00 C ATOM 0 H VAL A 104 6.060 7.196 5.475 1.00 0.00 H new ATOM 0 HA VAL A 104 3.869 7.867 6.948 1.00 0.00 H new ATOM 0 HB VAL A 104 5.648 5.414 7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.600 4.294 8.063 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.060 5.645 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.723 5.839 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.132 4.367 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.276 5.915 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.979 5.771 4.959 1.00 0.00 H new ATOM 531 N ILE A 105 4.305 8.093 9.425 1.00 0.00 N ATOM 532 CA ILE A 105 4.596 8.474 10.801 1.00 0.00 C ATOM 533 C ILE A 105 4.383 7.302 11.753 1.00 0.00 C ATOM 534 O ILE A 105 5.258 6.975 12.555 1.00 0.00 O ATOM 535 CB ILE A 105 3.718 9.655 11.255 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.966 10.875 10.365 1.00 0.00 C ATOM 537 CG2 ILE A 105 3.995 9.992 12.713 1.00 0.00 C ATOM 538 CD1 ILE A 105 3.194 12.103 10.794 1.00 0.00 C ATOM 0 H ILE A 105 3.313 8.087 9.189 1.00 0.00 H new ATOM 0 HA ILE A 105 5.643 8.777 10.830 1.00 0.00 H new ATOM 0 HB ILE A 105 2.671 9.367 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.031 11.106 10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.696 10.627 9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.367 10.829 13.019 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.773 9.125 13.335 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.044 10.264 12.831 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.419 12.928 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.125 11.890 10.764 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.481 12.377 11.809 1.00 0.00 H new ATOM 550 N GLU A 106 3.216 6.673 11.657 1.00 0.00 N ATOM 551 CA GLU A 106 2.890 5.536 12.510 1.00 0.00 C ATOM 552 C GLU A 106 1.792 4.682 11.882 1.00 0.00 C ATOM 553 O GLU A 106 0.716 5.181 11.549 1.00 0.00 O ATOM 554 CB GLU A 106 2.447 6.018 13.893 1.00 0.00 C ATOM 555 CG GLU A 106 1.748 7.367 13.873 1.00 0.00 C ATOM 556 CD GLU A 106 1.657 7.997 15.249 1.00 0.00 C ATOM 557 OE1 GLU A 106 1.337 7.273 16.214 1.00 0.00 O ATOM 558 OE2 GLU A 106 1.907 9.216 15.360 1.00 0.00 O ATOM 0 H GLU A 106 2.481 6.931 10.998 1.00 0.00 H new ATOM 0 HA GLU A 106 3.787 4.925 12.616 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.776 5.277 14.329 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.319 6.080 14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.284 8.040 13.204 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.744 7.246 13.466 1.00 0.00 H new ATOM 565 N CYS A 107 2.072 3.393 11.721 1.00 0.00 N ATOM 566 CA CYS A 107 1.110 2.469 11.132 1.00 0.00 C ATOM 567 C CYS A 107 0.731 1.373 12.122 1.00 0.00 C ATOM 568 O CYS A 107 1.561 0.923 12.912 1.00 0.00 O ATOM 569 CB CYS A 107 1.684 1.847 9.858 1.00 0.00 C ATOM 570 SG CYS A 107 0.630 0.578 9.117 1.00 0.00 S ATOM 0 H CYS A 107 2.958 2.965 11.990 1.00 0.00 H new ATOM 0 HA CYS A 107 0.211 3.031 10.880 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.854 2.636 9.126 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.656 1.409 10.086 1.00 0.00 H new ATOM 0 HG CYS A 107 0.808 0.564 7.829 1.00 0.00 H new ATOM 576 N ASP A 108 -0.527 0.950 12.075 1.00 0.00 N ATOM 577 CA ASP A 108 -1.017 -0.093 12.969 1.00 0.00 C ATOM 578 C ASP A 108 -2.010 -1.002 12.251 1.00 0.00 C ATOM 579 O ASP A 108 -2.905 -0.529 11.551 1.00 0.00 O ATOM 580 CB ASP A 108 -1.675 0.529 14.202 1.00 0.00 C ATOM 581 CG ASP A 108 -0.685 0.780 15.322 1.00 0.00 C ATOM 582 OD1 ASP A 108 -0.119 -0.203 15.845 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.476 1.959 15.676 1.00 0.00 O ATOM 0 H ASP A 108 -1.226 1.313 11.427 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.165 -0.694 13.286 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.148 1.470 13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.465 -0.131 14.560 1.00 0.00 H new ATOM 588 N ILE A 109 -1.844 -2.308 12.429 1.00 0.00 N ATOM 589 CA ILE A 109 -2.725 -3.283 11.798 1.00 0.00 C ATOM 590 C ILE A 109 -3.818 -3.738 12.759 1.00 0.00 C ATOM 591 O ILE A 109 -3.642 -3.707 13.977 1.00 0.00 O ATOM 592 CB ILE A 109 -1.943 -4.515 11.308 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.079 -4.150 10.099 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.899 -5.646 10.960 1.00 0.00 C ATOM 595 CD1 ILE A 109 0.049 -5.126 9.845 1.00 0.00 C ATOM 0 H ILE A 109 -1.107 -2.716 13.005 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.181 -2.788 10.940 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.288 -4.853 12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.711 -4.100 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.661 -3.155 10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.331 -6.510 10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.475 -5.920 11.844 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.577 -5.320 10.171 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.619 -4.804 8.973 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.704 -5.159 10.715 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.363 -6.119 9.663 1.00 0.00 H new ATOM 607 N VAL A 110 -4.949 -4.162 12.203 1.00 0.00 N ATOM 608 CA VAL A 110 -6.071 -4.627 13.010 1.00 0.00 C ATOM 609 C VAL A 110 -6.688 -5.889 12.417 1.00 0.00 C ATOM 610 O VAL A 110 -6.320 -6.319 11.324 1.00 0.00 O ATOM 611 CB VAL A 110 -7.160 -3.545 13.133 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.060 -3.826 14.326 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.530 -2.165 13.243 1.00 0.00 C ATOM 0 H VAL A 110 -5.112 -4.193 11.197 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.677 -4.850 14.002 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.774 -3.568 12.232 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.823 -3.051 14.397 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.539 -4.797 14.200 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.464 -3.832 15.238 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.314 -1.413 13.329 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.891 -2.126 14.125 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.932 -1.966 12.353 1.00 0.00 H new ATOM 623 N LYS A 111 -7.630 -6.478 13.146 1.00 0.00 N ATOM 624 CA LYS A 111 -8.301 -7.691 12.694 1.00 0.00 C ATOM 625 C LYS A 111 -8.487 -7.677 11.180 1.00 0.00 C ATOM 626 O LYS A 111 -7.775 -8.369 10.451 1.00 0.00 O ATOM 627 CB LYS A 111 -9.659 -7.834 13.383 1.00 0.00 C ATOM 628 CG LYS A 111 -9.588 -8.539 14.727 1.00 0.00 C ATOM 629 CD LYS A 111 -10.904 -8.441 15.479 1.00 0.00 C ATOM 630 CE LYS A 111 -11.035 -7.109 16.203 1.00 0.00 C ATOM 631 NZ LYS A 111 -11.988 -7.190 17.345 1.00 0.00 N ATOM 0 H LYS A 111 -7.946 -6.135 14.053 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.675 -8.543 12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.091 -6.843 13.524 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.333 -8.386 12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.332 -9.588 14.576 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.791 -8.100 15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.733 -8.560 14.781 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.974 -9.256 16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.057 -6.796 16.568 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.373 -6.346 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.049 -6.263 17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.928 -7.464 16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.653 -7.900 18.027 1.00 0.00 H new ATOM 645 N ASP A 112 -9.446 -6.885 10.713 1.00 0.00 N ATOM 646 CA ASP A 112 -9.723 -6.779 9.285 1.00 0.00 C ATOM 647 C ASP A 112 -9.587 -5.336 8.811 1.00 0.00 C ATOM 648 O ASP A 112 -10.125 -4.961 7.768 1.00 0.00 O ATOM 649 CB ASP A 112 -11.128 -7.301 8.977 1.00 0.00 C ATOM 650 CG ASP A 112 -11.263 -8.788 9.237 1.00 0.00 C ATOM 651 OD1 ASP A 112 -11.495 -9.168 10.405 1.00 0.00 O ATOM 652 OD2 ASP A 112 -11.139 -9.572 8.274 1.00 0.00 O ATOM 0 H ASP A 112 -10.045 -6.307 11.303 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.993 -7.387 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.854 -6.761 9.585 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.369 -7.094 7.934 1.00 0.00 H new ATOM 657 N TYR A 113 -8.866 -4.531 9.582 1.00 0.00 N ATOM 658 CA TYR A 113 -8.662 -3.127 9.243 1.00 0.00 C ATOM 659 C TYR A 113 -7.295 -2.645 9.718 1.00 0.00 C ATOM 660 O TYR A 113 -6.557 -3.381 10.372 1.00 0.00 O ATOM 661 CB TYR A 113 -9.763 -2.266 9.863 1.00 0.00 C ATOM 662 CG TYR A 113 -10.257 -2.781 11.195 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.955 -3.980 11.283 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.027 -2.070 12.367 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.409 -4.455 12.498 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.476 -2.538 13.586 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.167 -3.731 13.647 1.00 0.00 C ATOM 668 OH TYR A 113 -11.617 -4.200 14.860 1.00 0.00 O ATOM 0 H TYR A 113 -8.412 -4.826 10.447 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.703 -3.032 8.158 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.389 -1.250 9.992 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.603 -2.211 9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.146 -4.550 10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.488 -1.135 12.323 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.950 -5.388 12.548 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.287 -1.973 14.487 1.00 0.00 H new ATOM 0 HH TYR A 113 -10.855 -4.336 15.461 1.00 0.00 H new ATOM 678 N ALA A 114 -6.965 -1.401 9.384 1.00 0.00 N ATOM 679 CA ALA A 114 -5.688 -0.818 9.778 1.00 0.00 C ATOM 680 C ALA A 114 -5.753 0.705 9.762 1.00 0.00 C ATOM 681 O ALA A 114 -6.770 1.290 9.389 1.00 0.00 O ATOM 682 CB ALA A 114 -4.578 -1.311 8.862 1.00 0.00 C ATOM 0 H ALA A 114 -7.564 -0.778 8.842 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.470 -1.136 10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.630 -0.868 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.508 -2.397 8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.799 -1.022 7.834 1.00 0.00 H new ATOM 688 N PHE A 115 -4.661 1.344 10.171 1.00 0.00 N ATOM 689 CA PHE A 115 -4.595 2.800 10.205 1.00 0.00 C ATOM 690 C PHE A 115 -3.172 3.286 9.943 1.00 0.00 C ATOM 691 O PHE A 115 -2.275 3.087 10.763 1.00 0.00 O ATOM 692 CB PHE A 115 -5.083 3.322 11.558 1.00 0.00 C ATOM 693 CG PHE A 115 -6.500 2.937 11.873 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.798 1.673 12.355 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.535 3.840 11.687 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.102 1.316 12.645 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.840 3.489 11.976 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.124 2.226 12.456 1.00 0.00 C ATOM 0 H PHE A 115 -3.810 0.876 10.483 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.243 3.187 9.419 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.429 2.942 12.343 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.999 4.409 11.571 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.003 0.958 12.506 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.319 4.829 11.312 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.321 0.327 13.019 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.637 4.202 11.826 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.143 1.950 12.683 1.00 0.00 H new ATOM 708 N VAL A 116 -2.973 3.923 8.794 1.00 0.00 N ATOM 709 CA VAL A 116 -1.661 4.438 8.423 1.00 0.00 C ATOM 710 C VAL A 116 -1.582 5.946 8.635 1.00 0.00 C ATOM 711 O VAL A 116 -2.164 6.722 7.877 1.00 0.00 O ATOM 712 CB VAL A 116 -1.328 4.120 6.953 1.00 0.00 C ATOM 713 CG1 VAL A 116 -0.039 4.811 6.535 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.229 2.617 6.742 1.00 0.00 C ATOM 0 H VAL A 116 -3.704 4.095 8.104 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.934 3.944 9.068 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.135 4.500 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.180 4.574 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.152 5.889 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.780 4.465 7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.993 2.411 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.443 2.211 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.180 2.150 6.998 1.00 0.00 H new ATOM 724 N HIS A 117 -0.856 6.354 9.672 1.00 0.00 N ATOM 725 CA HIS A 117 -0.700 7.770 9.984 1.00 0.00 C ATOM 726 C HIS A 117 0.357 8.411 9.089 1.00 0.00 C ATOM 727 O HIS A 117 1.549 8.141 9.230 1.00 0.00 O ATOM 728 CB HIS A 117 -0.318 7.951 11.454 1.00 0.00 C ATOM 729 CG HIS A 117 -0.812 9.233 12.048 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.679 9.281 13.120 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.555 10.520 11.716 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.935 10.542 13.420 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.265 11.314 12.583 1.00 0.00 N ATOM 0 H HIS A 117 -0.367 5.725 10.309 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.654 8.264 9.800 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.717 7.116 12.030 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.767 7.912 11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.089 10.859 10.918 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.582 10.884 14.214 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.274 12.334 12.581 1.00 0.00 H new ATOM 742 N MET A 118 -0.089 9.259 8.169 1.00 0.00 N ATOM 743 CA MET A 118 0.819 9.938 7.251 1.00 0.00 C ATOM 744 C MET A 118 1.272 11.276 7.826 1.00 0.00 C ATOM 745 O MET A 118 0.746 11.737 8.838 1.00 0.00 O ATOM 746 CB MET A 118 0.142 10.154 5.897 1.00 0.00 C ATOM 747 CG MET A 118 0.348 9.005 4.924 1.00 0.00 C ATOM 748 SD MET A 118 2.088 8.706 4.561 1.00 0.00 S ATOM 749 CE MET A 118 1.993 8.189 2.848 1.00 0.00 C ATOM 0 H MET A 118 -1.073 9.493 8.039 1.00 0.00 H new ATOM 0 HA MET A 118 1.696 9.306 7.113 1.00 0.00 H new ATOM 0 HB2 MET A 118 -0.927 10.299 6.054 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.526 11.071 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.093 8.099 5.339 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.181 9.221 3.996 1.00 0.00 H new ATOM 0 HE1 MET A 118 2.895 8.503 2.323 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.904 7.104 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.122 8.645 2.378 1.00 0.00 H new ATOM 759 N GLU A 119 2.252 11.894 7.173 1.00 0.00 N ATOM 760 CA GLU A 119 2.776 13.179 7.622 1.00 0.00 C ATOM 761 C GLU A 119 2.163 14.325 6.822 1.00 0.00 C ATOM 762 O GLU A 119 1.529 15.219 7.384 1.00 0.00 O ATOM 763 CB GLU A 119 4.300 13.208 7.488 1.00 0.00 C ATOM 764 CG GLU A 119 4.911 14.566 7.786 1.00 0.00 C ATOM 765 CD GLU A 119 6.427 14.548 7.735 1.00 0.00 C ATOM 766 OE1 GLU A 119 7.024 13.561 8.214 1.00 0.00 O ATOM 767 OE2 GLU A 119 7.015 15.520 7.218 1.00 0.00 O ATOM 0 H GLU A 119 2.698 11.526 6.333 1.00 0.00 H new ATOM 0 HA GLU A 119 2.508 13.306 8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.730 12.469 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.573 12.910 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.536 15.295 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.588 14.897 8.773 1.00 0.00 H new ATOM 774 N ARG A 120 2.356 14.292 5.508 1.00 0.00 N ATOM 775 CA ARG A 120 1.825 15.328 4.631 1.00 0.00 C ATOM 776 C ARG A 120 0.538 14.862 3.956 1.00 0.00 C ATOM 777 O ARG A 120 0.397 13.689 3.609 1.00 0.00 O ATOM 778 CB ARG A 120 2.860 15.710 3.572 1.00 0.00 C ATOM 779 CG ARG A 120 4.184 16.175 4.154 1.00 0.00 C ATOM 780 CD ARG A 120 5.323 15.993 3.163 1.00 0.00 C ATOM 781 NE ARG A 120 6.552 16.641 3.616 1.00 0.00 N ATOM 782 CZ ARG A 120 6.794 17.939 3.471 1.00 0.00 C ATOM 783 NH1 ARG A 120 5.898 18.724 2.890 1.00 0.00 N ATOM 784 NH2 ARG A 120 7.936 18.455 3.910 1.00 0.00 N ATOM 0 H ARG A 120 2.877 13.559 5.027 1.00 0.00 H new ATOM 0 HA ARG A 120 1.599 16.203 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.039 14.851 2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.450 16.502 2.945 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.110 17.225 4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.399 15.615 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.508 14.929 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.032 16.404 2.196 1.00 0.00 H new ATOM 0 HE ARG A 120 7.262 16.065 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.019 18.332 2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.087 19.720 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.628 17.855 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.121 19.452 3.798 1.00 0.00 H new ATOM 798 N ALA A 121 -0.397 15.788 3.773 1.00 0.00 N ATOM 799 CA ALA A 121 -1.671 15.472 3.138 1.00 0.00 C ATOM 800 C ALA A 121 -1.459 14.857 1.759 1.00 0.00 C ATOM 801 O ALA A 121 -1.952 13.766 1.474 1.00 0.00 O ATOM 802 CB ALA A 121 -2.533 16.721 3.034 1.00 0.00 C ATOM 0 H ALA A 121 -0.297 16.763 4.055 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.186 14.739 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.481 16.470 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.722 17.117 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.015 17.472 2.438 1.00 0.00 H new ATOM 808 N GLU A 122 -0.724 15.564 0.907 1.00 0.00 N ATOM 809 CA GLU A 122 -0.449 15.087 -0.444 1.00 0.00 C ATOM 810 C GLU A 122 -0.045 13.615 -0.429 1.00 0.00 C ATOM 811 O GLU A 122 -0.416 12.850 -1.319 1.00 0.00 O ATOM 812 CB GLU A 122 0.657 15.924 -1.089 1.00 0.00 C ATOM 813 CG GLU A 122 0.344 17.410 -1.141 1.00 0.00 C ATOM 814 CD GLU A 122 1.013 18.107 -2.310 1.00 0.00 C ATOM 815 OE1 GLU A 122 0.638 17.817 -3.465 1.00 0.00 O ATOM 816 OE2 GLU A 122 1.910 18.941 -2.069 1.00 0.00 O ATOM 0 H GLU A 122 -0.308 16.469 1.128 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.362 15.190 -1.031 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.584 15.776 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.831 15.562 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.735 17.548 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.666 17.878 -0.211 1.00 0.00 H new ATOM 823 N ASP A 123 0.718 13.228 0.587 1.00 0.00 N ATOM 824 CA ASP A 123 1.172 11.848 0.720 1.00 0.00 C ATOM 825 C ASP A 123 0.012 10.926 1.078 1.00 0.00 C ATOM 826 O ASP A 123 -0.102 9.821 0.548 1.00 0.00 O ATOM 827 CB ASP A 123 2.267 11.749 1.783 1.00 0.00 C ATOM 828 CG ASP A 123 3.563 12.399 1.342 1.00 0.00 C ATOM 829 OD1 ASP A 123 3.961 12.197 0.176 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.182 13.108 2.164 1.00 0.00 O ATOM 0 H ASP A 123 1.035 13.850 1.331 1.00 0.00 H new ATOM 0 HA ASP A 123 1.580 11.532 -0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.921 12.222 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.451 10.700 2.014 1.00 0.00 H new ATOM 835 N ALA A 124 -0.847 11.387 1.982 1.00 0.00 N ATOM 836 CA ALA A 124 -1.998 10.603 2.411 1.00 0.00 C ATOM 837 C ALA A 124 -2.997 10.427 1.273 1.00 0.00 C ATOM 838 O ALA A 124 -3.349 9.305 0.910 1.00 0.00 O ATOM 839 CB ALA A 124 -2.669 11.263 3.607 1.00 0.00 C ATOM 0 H ALA A 124 -0.767 12.299 2.431 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.644 9.615 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.527 10.667 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.958 11.332 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.003 12.263 3.331 1.00 0.00 H new ATOM 845 N VAL A 125 -3.452 11.544 0.713 1.00 0.00 N ATOM 846 CA VAL A 125 -4.411 11.512 -0.385 1.00 0.00 C ATOM 847 C VAL A 125 -3.910 10.636 -1.528 1.00 0.00 C ATOM 848 O VAL A 125 -4.692 9.951 -2.186 1.00 0.00 O ATOM 849 CB VAL A 125 -4.693 12.927 -0.924 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.574 12.861 -2.163 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.336 13.789 0.152 1.00 0.00 C ATOM 0 H VAL A 125 -3.172 12.481 1.002 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.334 11.091 0.013 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.745 13.385 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.763 13.870 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.070 12.282 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.521 12.384 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.528 14.785 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.276 13.337 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.665 13.864 1.008 1.00 0.00 H new ATOM 861 N GLU A 126 -2.600 10.663 -1.756 1.00 0.00 N ATOM 862 CA GLU A 126 -1.995 9.870 -2.820 1.00 0.00 C ATOM 863 C GLU A 126 -1.962 8.391 -2.445 1.00 0.00 C ATOM 864 O GLU A 126 -2.384 7.534 -3.220 1.00 0.00 O ATOM 865 CB GLU A 126 -0.577 10.365 -3.112 1.00 0.00 C ATOM 866 CG GLU A 126 -0.518 11.453 -4.171 1.00 0.00 C ATOM 867 CD GLU A 126 -1.046 10.987 -5.515 1.00 0.00 C ATOM 868 OE1 GLU A 126 -0.365 10.171 -6.169 1.00 0.00 O ATOM 869 OE2 GLU A 126 -2.140 11.441 -5.911 1.00 0.00 O ATOM 0 H GLU A 126 -1.939 11.224 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.605 9.986 -3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.136 10.743 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.034 9.522 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.097 12.313 -3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.513 11.788 -4.286 1.00 0.00 H new ATOM 876 N ALA A 127 -1.457 8.101 -1.250 1.00 0.00 N ATOM 877 CA ALA A 127 -1.370 6.727 -0.771 1.00 0.00 C ATOM 878 C ALA A 127 -2.719 6.024 -0.871 1.00 0.00 C ATOM 879 O ALA A 127 -2.785 4.798 -0.963 1.00 0.00 O ATOM 880 CB ALA A 127 -0.863 6.700 0.663 1.00 0.00 C ATOM 0 H ALA A 127 -1.102 8.799 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.664 6.191 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.803 5.668 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.126 7.156 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.548 7.257 1.302 1.00 0.00 H new ATOM 886 N ILE A 128 -3.792 6.808 -0.853 1.00 0.00 N ATOM 887 CA ILE A 128 -5.140 6.259 -0.942 1.00 0.00 C ATOM 888 C ILE A 128 -5.535 6.006 -2.393 1.00 0.00 C ATOM 889 O ILE A 128 -5.772 4.865 -2.792 1.00 0.00 O ATOM 890 CB ILE A 128 -6.174 7.200 -0.297 1.00 0.00 C ATOM 891 CG1 ILE A 128 -5.978 7.245 1.220 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.586 6.750 -0.640 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.695 8.397 1.888 1.00 0.00 C ATOM 0 H ILE A 128 -3.754 7.825 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.133 5.314 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.027 8.204 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.331 6.309 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -4.912 7.315 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.306 7.425 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.720 6.764 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.746 5.738 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.512 8.366 2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.325 9.339 1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.766 8.317 1.700 1.00 0.00 H new ATOM 905 N ARG A 129 -5.603 7.076 -3.178 1.00 0.00 N ATOM 906 CA ARG A 129 -5.969 6.970 -4.585 1.00 0.00 C ATOM 907 C ARG A 129 -5.221 5.821 -5.256 1.00 0.00 C ATOM 908 O ARG A 129 -5.663 5.290 -6.274 1.00 0.00 O ATOM 909 CB ARG A 129 -5.669 8.282 -5.312 1.00 0.00 C ATOM 910 CG ARG A 129 -6.601 8.556 -6.481 1.00 0.00 C ATOM 911 CD ARG A 129 -6.417 9.966 -7.021 1.00 0.00 C ATOM 912 NE ARG A 129 -7.498 10.352 -7.924 1.00 0.00 N ATOM 913 CZ ARG A 129 -7.390 11.320 -8.828 1.00 0.00 C ATOM 914 NH1 ARG A 129 -6.256 11.996 -8.948 1.00 0.00 N ATOM 915 NH2 ARG A 129 -8.418 11.612 -9.614 1.00 0.00 N ATOM 0 H ARG A 129 -5.409 8.027 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 129 -7.038 6.767 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.739 9.106 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.641 8.260 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.413 7.834 -7.275 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.635 8.419 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.371 10.669 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.465 10.031 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 129 -8.384 9.851 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.464 11.774 -8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.176 12.738 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.292 11.093 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.335 12.355 -10.308 1.00 0.00 H new ATOM 929 N GLY A 130 -4.085 5.443 -4.678 1.00 0.00 N ATOM 930 CA GLY A 130 -3.294 4.361 -5.234 1.00 0.00 C ATOM 931 C GLY A 130 -3.557 3.037 -4.545 1.00 0.00 C ATOM 932 O GLY A 130 -3.923 2.054 -5.191 1.00 0.00 O ATOM 0 H GLY A 130 -3.698 5.867 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.514 4.264 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -2.236 4.608 -5.148 1.00 0.00 H new ATOM 936 N LEU A 131 -3.370 3.009 -3.230 1.00 0.00 N ATOM 937 CA LEU A 131 -3.588 1.794 -2.452 1.00 0.00 C ATOM 938 C LEU A 131 -5.078 1.504 -2.301 1.00 0.00 C ATOM 939 O LEU A 131 -5.469 0.506 -1.696 1.00 0.00 O ATOM 940 CB LEU A 131 -2.940 1.925 -1.072 1.00 0.00 C ATOM 941 CG LEU A 131 -1.443 2.233 -1.061 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.893 2.155 0.355 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.695 1.277 -1.978 1.00 0.00 C ATOM 0 H LEU A 131 -3.068 3.813 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.127 0.963 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.457 2.712 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.104 0.996 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.298 3.248 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.174 2.377 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.408 2.880 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.051 1.152 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.369 1.511 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.848 0.253 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.070 1.381 -2.996 1.00 0.00 H new ATOM 955 N ASP A 132 -5.905 2.383 -2.857 1.00 0.00 N ATOM 956 CA ASP A 132 -7.353 2.220 -2.788 1.00 0.00 C ATOM 957 C ASP A 132 -7.813 1.064 -3.670 1.00 0.00 C ATOM 958 O ASP A 132 -7.602 1.074 -4.882 1.00 0.00 O ATOM 959 CB ASP A 132 -8.054 3.512 -3.211 1.00 0.00 C ATOM 960 CG ASP A 132 -9.447 3.263 -3.755 1.00 0.00 C ATOM 961 OD1 ASP A 132 -10.375 3.071 -2.942 1.00 0.00 O ATOM 962 OD2 ASP A 132 -9.609 3.261 -4.993 1.00 0.00 O ATOM 0 H ASP A 132 -5.598 3.215 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.619 1.993 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.116 4.185 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.455 4.015 -3.970 1.00 0.00 H new ATOM 967 N ASN A 133 -8.442 0.069 -3.054 1.00 0.00 N ATOM 968 CA ASN A 133 -8.930 -1.096 -3.783 1.00 0.00 C ATOM 969 C ASN A 133 -7.779 -1.838 -4.457 1.00 0.00 C ATOM 970 O ASN A 133 -7.802 -2.076 -5.665 1.00 0.00 O ATOM 971 CB ASN A 133 -9.961 -0.671 -4.832 1.00 0.00 C ATOM 972 CG ASN A 133 -11.275 -0.240 -4.209 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.407 -0.188 -2.986 1.00 0.00 O ATOM 974 ND2 ASN A 133 -12.254 0.072 -5.050 1.00 0.00 N ATOM 0 H ASN A 133 -8.626 0.046 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.404 -1.769 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.556 0.150 -5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.141 -1.499 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -13.161 0.369 -4.689 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -12.099 0.014 -6.057 1.00 0.00 H new ATOM 981 N THR A 134 -6.774 -2.201 -3.667 1.00 0.00 N ATOM 982 CA THR A 134 -5.614 -2.915 -4.185 1.00 0.00 C ATOM 983 C THR A 134 -5.450 -4.267 -3.501 1.00 0.00 C ATOM 984 O THR A 134 -5.410 -4.351 -2.274 1.00 0.00 O ATOM 985 CB THR A 134 -4.322 -2.098 -3.999 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.161 -1.742 -2.621 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.349 -0.839 -4.853 1.00 0.00 C ATOM 0 H THR A 134 -6.740 -2.012 -2.665 1.00 0.00 H new ATOM 0 HA THR A 134 -5.787 -3.069 -5.250 1.00 0.00 H new ATOM 0 HB THR A 134 -3.481 -2.715 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.749 -0.987 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.426 -0.279 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.442 -1.114 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.199 -0.221 -4.563 1.00 0.00 H new ATOM 995 N GLU A 135 -5.354 -5.323 -4.303 1.00 0.00 N ATOM 996 CA GLU A 135 -5.194 -6.672 -3.772 1.00 0.00 C ATOM 997 C GLU A 135 -4.018 -6.739 -2.802 1.00 0.00 C ATOM 998 O GLU A 135 -2.857 -6.715 -3.212 1.00 0.00 O ATOM 999 CB GLU A 135 -4.985 -7.671 -4.913 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.021 -9.122 -4.465 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.742 -10.090 -5.598 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -3.553 -10.349 -5.879 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -5.713 -10.588 -6.205 1.00 0.00 O ATOM 0 H GLU A 135 -5.384 -5.271 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.104 -6.933 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.755 -7.513 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.025 -7.470 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.286 -9.272 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -5.999 -9.342 -4.037 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.327 -6.822 -1.512 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.297 -6.891 -0.482 1.00 0.00 C ATOM 1012 C PHE A 136 -3.150 -8.315 0.045 1.00 0.00 C ATOM 1013 O PHE A 136 -4.097 -8.891 0.579 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.634 -5.941 0.670 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.477 -5.683 1.591 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -2.007 -6.679 2.432 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.858 -4.443 1.617 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.942 -6.444 3.281 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.792 -4.203 2.463 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.334 -5.204 3.297 1.00 0.00 C ATOM 0 H PHE A 136 -5.282 -6.843 -1.155 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.350 -6.588 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.980 -4.992 0.259 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.460 -6.359 1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.479 -7.651 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.213 -3.655 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.586 -7.229 3.931 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.317 -3.233 2.472 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.498 -5.018 3.960 1.00 0.00 H new ATOM 1030 N GLN A 137 -1.955 -8.876 -0.110 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.683 -10.233 0.349 1.00 0.00 C ATOM 1032 C GLN A 137 -2.783 -11.190 -0.099 1.00 0.00 C ATOM 1033 O GLN A 137 -3.105 -12.151 0.597 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.555 -10.263 1.873 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.253 -9.669 2.386 1.00 0.00 C ATOM 1036 CD GLN A 137 0.046 -10.066 3.818 1.00 0.00 C ATOM 1037 OE1 GLN A 137 -0.677 -10.863 4.417 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.116 -9.511 4.376 1.00 0.00 N ATOM 0 H GLN A 137 -1.160 -8.412 -0.550 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.741 -10.557 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.391 -9.717 2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.634 -11.295 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 137 0.567 -9.992 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -0.302 -8.582 2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.687 -8.855 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 137 1.367 -9.740 5.338 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.357 -10.919 -1.268 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.415 -11.764 -1.789 1.00 0.00 C ATOM 1049 C GLY A 138 -5.773 -11.094 -1.732 1.00 0.00 C ATOM 1050 O GLY A 138 -6.531 -11.126 -2.701 1.00 0.00 O ATOM 0 H GLY A 138 -3.108 -10.129 -1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.188 -12.030 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.447 -12.693 -1.220 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.084 -10.487 -0.592 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.361 -9.806 -0.410 1.00 0.00 C ATOM 1056 C LYS A 139 -7.202 -8.298 -0.580 1.00 0.00 C ATOM 1057 O LYS A 139 -6.276 -7.697 -0.036 1.00 0.00 O ATOM 1058 CB LYS A 139 -7.936 -10.116 0.974 1.00 0.00 C ATOM 1059 CG LYS A 139 -6.989 -9.785 2.114 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.612 -10.097 3.465 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.643 -11.594 3.731 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.785 -11.977 4.608 1.00 0.00 N ATOM 0 H LYS A 139 -5.469 -10.453 0.221 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.050 -10.170 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.862 -9.556 1.107 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.194 -11.174 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.066 -10.353 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.721 -8.729 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.046 -9.598 4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.626 -9.699 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -7.716 -12.130 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.707 -11.899 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -8.772 -13.005 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.702 -11.485 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.679 -11.709 4.150 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.113 -7.694 -1.336 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.074 -6.256 -1.577 1.00 0.00 C ATOM 1078 C ARG A 140 -8.643 -5.490 -0.386 1.00 0.00 C ATOM 1079 O ARG A 140 -9.717 -5.817 0.119 1.00 0.00 O ATOM 1080 CB ARG A 140 -8.858 -5.908 -2.843 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.106 -4.418 -3.015 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.223 -4.151 -4.012 1.00 0.00 C ATOM 1083 NE ARG A 140 -11.542 -4.400 -3.435 1.00 0.00 N ATOM 1084 CZ ARG A 140 -12.638 -4.586 -4.162 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.574 -4.552 -5.485 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -13.802 -4.807 -3.564 1.00 0.00 N ATOM 0 H ARG A 140 -8.887 -8.177 -1.792 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.033 -5.963 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.314 -6.280 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.816 -6.427 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.363 -3.977 -2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.191 -3.932 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -10.166 -3.117 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.085 -4.784 -4.889 1.00 0.00 H new ATOM 0 HE ARG A 140 -11.626 -4.433 -2.419 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.681 -4.383 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.418 -4.695 -6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -13.855 -4.834 -2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -14.643 -4.950 -4.123 1.00 0.00 H new ATOM 1100 N MET A 141 -7.915 -4.470 0.057 1.00 0.00 N ATOM 1101 CA MET A 141 -8.348 -3.658 1.188 1.00 0.00 C ATOM 1102 C MET A 141 -8.758 -2.262 0.729 1.00 0.00 C ATOM 1103 O MET A 141 -8.211 -1.730 -0.238 1.00 0.00 O ATOM 1104 CB MET A 141 -7.232 -3.558 2.229 1.00 0.00 C ATOM 1105 CG MET A 141 -5.836 -3.616 1.631 1.00 0.00 C ATOM 1106 SD MET A 141 -4.629 -2.684 2.592 1.00 0.00 S ATOM 1107 CE MET A 141 -4.032 -1.530 1.359 1.00 0.00 C ATOM 0 H MET A 141 -7.024 -4.187 -0.350 1.00 0.00 H new ATOM 0 HA MET A 141 -9.214 -4.142 1.640 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.344 -2.625 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.344 -4.369 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.517 -4.656 1.564 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.864 -3.225 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 141 -3.370 -0.804 1.831 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.485 -2.072 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 141 -4.877 -1.011 0.907 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.722 -1.673 1.429 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.204 -0.338 1.092 1.00 0.00 C ATOM 1119 C HIS A 142 -9.501 0.722 1.935 1.00 0.00 C ATOM 1120 O HIS A 142 -9.580 0.706 3.164 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.717 -0.251 1.301 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.502 -1.090 0.340 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.824 -0.845 0.034 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.145 -2.175 -0.385 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.247 -1.744 -0.836 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.246 -2.563 -1.108 1.00 0.00 N ATOM 0 H HIS A 142 -10.185 -2.098 2.232 1.00 0.00 H new ATOM 0 HA HIS A 142 -9.978 -0.151 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.954 -0.561 2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.030 0.788 1.203 1.00 0.00 H new ATOM 0 HD1 HIS A 142 -14.388 -0.087 0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.174 -2.648 -0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.241 -1.800 -1.254 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.814 1.643 1.267 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.097 2.710 1.955 1.00 0.00 C ATOM 1137 C VAL A 143 -8.821 4.043 1.804 1.00 0.00 C ATOM 1138 O VAL A 143 -9.222 4.422 0.704 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.659 2.856 1.421 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.905 3.921 2.201 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.931 1.521 1.482 1.00 0.00 C ATOM 0 H VAL A 143 -8.739 1.672 0.250 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.059 2.437 3.010 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.707 3.171 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.892 4.010 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.418 4.877 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.864 3.641 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.917 1.642 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.892 1.175 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.462 0.789 0.874 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.983 4.751 2.917 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.659 6.043 2.909 1.00 0.00 C ATOM 1153 C GLN A 144 -9.302 6.852 4.152 1.00 0.00 C ATOM 1154 O GLN A 144 -8.725 6.326 5.104 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.174 5.849 2.829 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.781 5.276 4.099 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.152 4.670 3.869 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.557 4.436 2.730 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -13.875 4.411 4.952 1.00 0.00 N ATOM 0 H GLN A 144 -8.656 4.452 3.836 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.324 6.595 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.644 6.808 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.404 5.186 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.115 4.514 4.504 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.857 6.064 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.501 4.621 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -14.805 4.002 4.859 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.650 8.134 4.136 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.366 9.017 5.262 1.00 0.00 C ATOM 1170 C LEU A 145 -10.057 8.523 6.529 1.00 0.00 C ATOM 1171 O LEU A 145 -11.284 8.448 6.590 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.819 10.443 4.944 1.00 0.00 C ATOM 1173 CG LEU A 145 -8.782 11.341 4.267 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -7.541 11.474 5.136 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -8.419 10.794 2.894 1.00 0.00 C ATOM 0 H LEU A 145 -10.129 8.585 3.356 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.289 9.013 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.698 10.389 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -10.132 10.919 5.873 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.217 12.332 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -6.815 12.116 4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.814 11.912 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -7.103 10.489 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.680 11.445 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.004 9.792 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -9.312 10.753 2.271 1.00 0.00 H new