USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 826 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 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -8.54! C(o=-8.5!,f=-11!) USER MOD Single : A 25 THR OG1 : rot -56:sc= 1.43 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.39) USER MOD Single : A 54 HIS : no HD1:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 73:sc= 0.193 USER MOD Single : A 80 SER OG : rot 23:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 92 HIS : no HD1:sc= -3.06! K(o=-3.1!,f=-0.98) USER MOD Single : A 95 LYS NZ :NH3+ -135:sc= -0.0157 (180deg=-1.79!) USER MOD Single : A 97 ASN : amide:sc= -0.0767 K(o=-0.077,f=-1.7!) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0115 (180deg=-0.151) USER MOD Single : A 99 MET CE :methyl -138:sc= -0.402 (180deg=-1.25) USER MOD Single : A 103 ASN : amide:sc= -1.8 K(o=-1.8,f=-7.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.192 -5.047 10.554 1.00 0.00 N ATOM 143 CA ASN A 13 -10.632 -5.756 9.357 1.00 0.00 C ATOM 144 C ASN A 13 -9.661 -5.529 8.203 1.00 0.00 C ATOM 145 O ASN A 13 -10.073 -5.252 7.077 1.00 0.00 O ATOM 146 CB ASN A 13 -12.035 -5.298 8.956 1.00 0.00 C ATOM 147 CG ASN A 13 -13.023 -5.387 10.103 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.434 -6.477 10.500 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.408 -4.236 10.642 1.00 0.00 N ATOM 0 HA ASN A 13 -10.656 -6.822 9.583 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.990 -4.269 8.598 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.390 -5.909 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.071 -4.232 11.418 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.041 -3.356 10.281 1.00 0.00 H new ATOM 156 N GLY A 14 -8.368 -5.649 8.491 1.00 0.00 N ATOM 157 CA GLY A 14 -7.359 -5.454 7.466 1.00 0.00 C ATOM 158 C GLY A 14 -6.661 -6.745 7.087 1.00 0.00 C ATOM 159 O GLY A 14 -7.260 -7.819 7.134 1.00 0.00 O ATOM 0 H GLY A 14 -8.002 -5.878 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.824 -5.022 6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.620 -4.735 7.820 1.00 0.00 H new ATOM 163 N ALA A 15 -5.391 -6.641 6.708 1.00 0.00 N ATOM 164 CA ALA A 15 -4.612 -7.809 6.320 1.00 0.00 C ATOM 165 C ALA A 15 -3.143 -7.639 6.694 1.00 0.00 C ATOM 166 O ALA A 15 -2.480 -6.709 6.234 1.00 0.00 O ATOM 167 CB ALA A 15 -4.752 -8.064 4.826 1.00 0.00 C ATOM 0 H ALA A 15 -4.881 -5.759 6.662 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.000 -8.671 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.165 -8.940 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.800 -8.239 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.392 -7.196 4.273 1.00 0.00 H new ATOM 173 N ASP A 16 -2.642 -8.541 7.530 1.00 0.00 N ATOM 174 CA ASP A 16 -1.252 -8.490 7.966 1.00 0.00 C ATOM 175 C ASP A 16 -0.333 -9.129 6.929 1.00 0.00 C ATOM 176 O ASP A 16 -0.286 -10.352 6.795 1.00 0.00 O ATOM 177 CB ASP A 16 -1.091 -9.198 9.312 1.00 0.00 C ATOM 178 CG ASP A 16 0.184 -8.797 10.028 1.00 0.00 C ATOM 179 OD1 ASP A 16 1.277 -9.035 9.472 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.090 -8.247 11.146 1.00 0.00 O ATOM 0 H ASP A 16 -3.178 -9.317 7.919 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.971 -7.443 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.948 -8.968 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.092 -10.277 9.154 1.00 0.00 H new ATOM 185 N LEU A 17 0.394 -8.293 6.196 1.00 0.00 N ATOM 186 CA LEU A 17 1.310 -8.775 5.168 1.00 0.00 C ATOM 187 C LEU A 17 2.760 -8.637 5.624 1.00 0.00 C ATOM 188 O LEU A 17 3.103 -7.775 6.433 1.00 0.00 O ATOM 189 CB LEU A 17 1.098 -8.004 3.864 1.00 0.00 C ATOM 190 CG LEU A 17 -0.338 -7.574 3.565 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.352 -6.310 2.720 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.095 -8.694 2.866 1.00 0.00 C ATOM 0 H LEU A 17 0.367 -7.278 6.294 1.00 0.00 H new ATOM 0 HA LEU A 17 1.100 -9.831 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.726 -7.113 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.450 -8.622 3.038 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.837 -7.360 4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.383 -6.019 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.152 -5.507 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.164 -6.496 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.115 -8.371 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.597 -8.940 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.116 -9.575 3.508 1.00 0.00 H new ATOM 204 N PRO A 18 3.633 -9.506 5.092 1.00 0.00 N ATOM 205 CA PRO A 18 5.060 -9.499 5.427 1.00 0.00 C ATOM 206 C PRO A 18 5.781 -8.279 4.865 1.00 0.00 C ATOM 207 O PRO A 18 6.859 -7.914 5.333 1.00 0.00 O ATOM 208 CB PRO A 18 5.584 -10.779 4.771 1.00 0.00 C ATOM 209 CG PRO A 18 4.637 -11.047 3.652 1.00 0.00 C ATOM 210 CD PRO A 18 3.294 -10.560 4.121 1.00 0.00 C ATOM 0 HA PRO A 18 5.226 -9.456 6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.602 -10.648 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.604 -11.607 5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.946 -10.526 2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.605 -12.110 3.414 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.698 -10.170 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.715 -11.360 4.582 1.00 0.00 H new ATOM 218 N ASN A 19 5.180 -7.652 3.860 1.00 0.00 N ATOM 219 CA ASN A 19 5.766 -6.472 3.235 1.00 0.00 C ATOM 220 C ASN A 19 5.280 -5.197 3.917 1.00 0.00 C ATOM 221 O ASN A 19 6.009 -4.208 4.001 1.00 0.00 O ATOM 222 CB ASN A 19 5.418 -6.432 1.746 1.00 0.00 C ATOM 223 CG ASN A 19 6.433 -7.170 0.895 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.720 -8.344 1.129 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.983 -6.482 -0.100 1.00 0.00 N ATOM 0 H ASN A 19 4.287 -7.941 3.461 1.00 0.00 H new ATOM 0 HA ASN A 19 6.849 -6.532 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.432 -6.872 1.594 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.358 -5.394 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.673 -6.925 -0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.715 -5.510 -0.257 1.00 0.00 H new ATOM 232 N TYR A 20 4.044 -5.227 4.403 1.00 0.00 N ATOM 233 CA TYR A 20 3.459 -4.073 5.076 1.00 0.00 C ATOM 234 C TYR A 20 2.082 -4.412 5.639 1.00 0.00 C ATOM 235 O TYR A 20 1.424 -5.347 5.181 1.00 0.00 O ATOM 236 CB TYR A 20 3.351 -2.893 4.109 1.00 0.00 C ATOM 237 CG TYR A 20 2.864 -3.281 2.731 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.547 -3.671 2.523 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.722 -3.259 1.638 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.098 -4.028 1.266 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.281 -3.613 0.377 1.00 0.00 C ATOM 242 CZ TYR A 20 1.969 -3.996 0.196 1.00 0.00 C ATOM 243 OH TYR A 20 1.526 -4.350 -1.058 1.00 0.00 O ATOM 0 H TYR A 20 3.428 -6.038 4.344 1.00 0.00 H new ATOM 0 HA TYR A 20 4.112 -3.797 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.672 -2.151 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.328 -2.417 4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.862 -3.696 3.358 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.751 -2.960 1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.071 -4.330 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.960 -3.590 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 20 2.263 -4.272 -1.699 1.00 0.00 H new ATOM 253 N ARG A 21 1.651 -3.643 6.634 1.00 0.00 N ATOM 254 CA ARG A 21 0.353 -3.861 7.261 1.00 0.00 C ATOM 255 C ARG A 21 -0.588 -2.692 6.982 1.00 0.00 C ATOM 256 O ARG A 21 -0.205 -1.530 7.112 1.00 0.00 O ATOM 257 CB ARG A 21 0.517 -4.048 8.771 1.00 0.00 C ATOM 258 CG ARG A 21 1.254 -2.905 9.450 1.00 0.00 C ATOM 259 CD ARG A 21 1.793 -3.320 10.810 1.00 0.00 C ATOM 260 NE ARG A 21 2.935 -4.222 10.693 1.00 0.00 N ATOM 261 CZ ARG A 21 3.407 -4.945 11.703 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.837 -4.872 12.898 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.451 -5.743 11.519 1.00 0.00 N ATOM 0 H ARG A 21 2.182 -2.864 7.023 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.081 -4.765 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.468 -4.154 9.225 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.055 -4.977 8.957 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.077 -2.574 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.581 -2.056 9.568 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.088 -2.432 11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.002 -3.808 11.380 1.00 0.00 H new ATOM 0 HE ARG A 21 3.396 -4.302 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.034 -4.260 13.044 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.201 -5.428 13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.892 -5.802 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.812 -6.297 12.295 1.00 0.00 H new ATOM 277 N TRP A 22 -1.818 -3.010 6.597 1.00 0.00 N ATOM 278 CA TRP A 22 -2.814 -1.986 6.299 1.00 0.00 C ATOM 279 C TRP A 22 -4.197 -2.417 6.776 1.00 0.00 C ATOM 280 O TRP A 22 -4.552 -3.594 6.703 1.00 0.00 O ATOM 281 CB TRP A 22 -2.845 -1.698 4.797 1.00 0.00 C ATOM 282 CG TRP A 22 -3.428 -2.818 3.990 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.749 -3.694 3.192 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.810 -3.181 3.900 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.625 -4.579 2.612 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.896 -4.286 3.031 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.984 -2.681 4.471 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.108 -4.896 2.720 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.186 -3.288 4.162 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.241 -4.386 3.293 1.00 0.00 C ATOM 0 H TRP A 22 -2.150 -3.968 6.484 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.535 -1.076 6.830 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.425 -0.792 4.620 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.830 -1.500 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.680 -3.691 3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.370 -5.332 1.973 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.952 -1.835 5.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.152 -5.742 2.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.099 -2.910 4.598 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.196 -4.838 3.071 1.00 0.00 H new ATOM 301 N THR A 23 -4.976 -1.456 7.264 1.00 0.00 N ATOM 302 CA THR A 23 -6.320 -1.737 7.753 1.00 0.00 C ATOM 303 C THR A 23 -7.355 -0.873 7.042 1.00 0.00 C ATOM 304 O THR A 23 -7.017 0.146 6.439 1.00 0.00 O ATOM 305 CB THR A 23 -6.425 -1.500 9.271 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.896 -0.213 9.605 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.675 -2.578 10.040 1.00 0.00 C ATOM 0 H THR A 23 -4.699 -0.477 7.331 1.00 0.00 H new ATOM 0 HA THR A 23 -6.521 -2.787 7.542 1.00 0.00 H new ATOM 0 HB THR A 23 -7.478 -1.542 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.969 -0.070 10.572 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.763 -2.390 11.110 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.101 -3.554 9.807 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.623 -2.563 9.755 1.00 0.00 H new ATOM 315 N GLN A 24 -8.616 -1.285 7.118 1.00 0.00 N ATOM 316 CA GLN A 24 -9.700 -0.547 6.482 1.00 0.00 C ATOM 317 C GLN A 24 -10.889 -0.403 7.426 1.00 0.00 C ATOM 318 O GLN A 24 -11.267 -1.352 8.115 1.00 0.00 O ATOM 319 CB GLN A 24 -10.137 -1.250 5.195 1.00 0.00 C ATOM 320 CG GLN A 24 -10.664 -2.658 5.420 1.00 0.00 C ATOM 321 CD GLN A 24 -10.415 -3.570 4.236 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.887 -3.143 3.209 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.795 -4.836 4.372 1.00 0.00 N ATOM 0 H GLN A 24 -8.912 -2.126 7.614 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.332 0.449 6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.911 -0.655 4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.291 -1.293 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.191 -3.082 6.306 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.734 -2.613 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.229 -5.148 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.653 -5.496 3.608 1.00 0.00 H new ATOM 332 N THR A 25 -11.476 0.789 7.454 1.00 0.00 N ATOM 333 CA THR A 25 -12.622 1.057 8.314 1.00 0.00 C ATOM 334 C THR A 25 -13.716 1.800 7.557 1.00 0.00 C ATOM 335 O THR A 25 -13.434 2.641 6.703 1.00 0.00 O ATOM 336 CB THR A 25 -12.215 1.884 9.549 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.758 3.179 9.142 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.121 1.179 10.337 1.00 0.00 C ATOM 0 H THR A 25 -11.177 1.585 6.891 1.00 0.00 H new ATOM 0 HA THR A 25 -13.004 0.090 8.642 1.00 0.00 H new ATOM 0 HB THR A 25 -13.090 1.992 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.018 3.080 8.507 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.851 1.782 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.482 0.206 10.670 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.245 1.043 9.702 1.00 0.00 H new ATOM 346 N LEU A 26 -14.967 1.486 7.876 1.00 0.00 N ATOM 347 CA LEU A 26 -16.106 2.125 7.225 1.00 0.00 C ATOM 348 C LEU A 26 -15.835 3.606 6.985 1.00 0.00 C ATOM 349 O LEU A 26 -16.394 4.209 6.069 1.00 0.00 O ATOM 350 CB LEU A 26 -17.365 1.956 8.077 1.00 0.00 C ATOM 351 CG LEU A 26 -18.203 0.708 7.798 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.344 0.596 8.797 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.738 0.732 6.374 1.00 0.00 C ATOM 0 H LEU A 26 -15.218 0.793 8.581 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.260 1.642 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.070 1.944 9.126 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.997 2.833 7.934 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.563 -0.168 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.929 -0.298 8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.938 0.531 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.983 1.475 8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.332 -0.164 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.362 1.615 6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.904 0.762 5.673 1.00 0.00 H new ATOM 365 N ALA A 27 -14.972 4.187 7.813 1.00 0.00 N ATOM 366 CA ALA A 27 -14.623 5.596 7.688 1.00 0.00 C ATOM 367 C ALA A 27 -13.559 5.806 6.616 1.00 0.00 C ATOM 368 O ALA A 27 -13.820 6.419 5.582 1.00 0.00 O ATOM 369 CB ALA A 27 -14.144 6.142 9.025 1.00 0.00 C ATOM 0 H ALA A 27 -14.502 3.703 8.578 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.517 6.140 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.887 7.196 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.936 6.036 9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.265 5.586 9.351 1.00 0.00 H new ATOM 375 N GLU A 28 -12.359 5.293 6.872 1.00 0.00 N ATOM 376 CA GLU A 28 -11.256 5.426 5.928 1.00 0.00 C ATOM 377 C GLU A 28 -10.329 4.216 6.001 1.00 0.00 C ATOM 378 O GLU A 28 -10.496 3.342 6.852 1.00 0.00 O ATOM 379 CB GLU A 28 -10.465 6.705 6.211 1.00 0.00 C ATOM 380 CG GLU A 28 -9.848 6.745 7.599 1.00 0.00 C ATOM 381 CD GLU A 28 -10.871 7.016 8.685 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.504 8.092 8.647 1.00 0.00 O ATOM 383 OE2 GLU A 28 -11.039 6.154 9.572 1.00 0.00 O ATOM 0 H GLU A 28 -12.127 4.782 7.724 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.676 5.481 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.674 6.805 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.125 7.564 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.353 5.795 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.079 7.517 7.629 1.00 0.00 H new ATOM 390 N LEU A 29 -9.352 4.172 5.102 1.00 0.00 N ATOM 391 CA LEU A 29 -8.398 3.069 5.062 1.00 0.00 C ATOM 392 C LEU A 29 -7.005 3.540 5.467 1.00 0.00 C ATOM 393 O LEU A 29 -6.546 4.597 5.036 1.00 0.00 O ATOM 394 CB LEU A 29 -8.354 2.456 3.661 1.00 0.00 C ATOM 395 CG LEU A 29 -8.012 0.968 3.590 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.688 0.321 2.390 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.505 0.769 3.527 1.00 0.00 C ATOM 0 H LEU A 29 -9.200 4.887 4.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.727 2.311 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.325 2.608 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.622 3.005 3.069 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.384 0.486 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.433 -0.738 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.769 0.431 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.347 0.806 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.280 -0.296 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.109 1.265 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.044 1.195 4.418 1.00 0.00 H new ATOM 409 N ASP A 30 -6.336 2.746 6.297 1.00 0.00 N ATOM 410 CA ASP A 30 -4.993 3.080 6.758 1.00 0.00 C ATOM 411 C ASP A 30 -3.969 2.092 6.208 1.00 0.00 C ATOM 412 O ASP A 30 -4.291 0.934 5.937 1.00 0.00 O ATOM 413 CB ASP A 30 -4.943 3.088 8.287 1.00 0.00 C ATOM 414 CG ASP A 30 -6.096 3.860 8.900 1.00 0.00 C ATOM 415 OD1 ASP A 30 -7.252 3.409 8.760 1.00 0.00 O ATOM 416 OD2 ASP A 30 -5.841 4.914 9.519 1.00 0.00 O ATOM 0 H ASP A 30 -6.702 1.867 6.664 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.745 4.075 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.961 2.062 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.001 3.527 8.615 1.00 0.00 H new ATOM 421 N LEU A 31 -2.735 2.556 6.046 1.00 0.00 N ATOM 422 CA LEU A 31 -1.663 1.714 5.527 1.00 0.00 C ATOM 423 C LEU A 31 -0.342 2.023 6.225 1.00 0.00 C ATOM 424 O LEU A 31 -0.060 3.173 6.559 1.00 0.00 O ATOM 425 CB LEU A 31 -1.515 1.914 4.018 1.00 0.00 C ATOM 426 CG LEU A 31 -0.109 1.719 3.450 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.263 0.245 3.437 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.014 2.307 2.049 1.00 0.00 C ATOM 0 H LEU A 31 -2.452 3.511 6.267 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.923 0.674 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.189 1.222 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.849 2.922 3.771 1.00 0.00 H new ATOM 0 HG LEU A 31 0.597 2.245 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.267 0.127 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.236 -0.146 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.447 -0.304 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.993 2.159 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.732 1.810 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.236 3.374 2.086 1.00 0.00 H new ATOM 440 N ALA A 32 0.465 0.989 6.438 1.00 0.00 N ATOM 441 CA ALA A 32 1.758 1.151 7.091 1.00 0.00 C ATOM 442 C ALA A 32 2.827 0.304 6.409 1.00 0.00 C ATOM 443 O ALA A 32 2.780 -0.925 6.451 1.00 0.00 O ATOM 444 CB ALA A 32 1.654 0.787 8.565 1.00 0.00 C ATOM 0 H ALA A 32 0.246 0.030 6.168 1.00 0.00 H new ATOM 0 HA ALA A 32 2.052 2.197 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.627 0.913 9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.926 1.438 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.334 -0.250 8.662 1.00 0.00 H new ATOM 450 N VAL A 33 3.791 0.970 5.781 1.00 0.00 N ATOM 451 CA VAL A 33 4.873 0.278 5.090 1.00 0.00 C ATOM 452 C VAL A 33 6.199 0.469 5.816 1.00 0.00 C ATOM 453 O VAL A 33 6.844 1.514 5.720 1.00 0.00 O ATOM 454 CB VAL A 33 5.019 0.773 3.638 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.142 0.030 2.931 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.706 0.613 2.887 1.00 0.00 C ATOM 0 H VAL A 33 3.845 1.988 5.736 1.00 0.00 H new ATOM 0 HA VAL A 33 4.616 -0.781 5.081 1.00 0.00 H new ATOM 0 HB VAL A 33 5.273 1.833 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.230 0.393 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.080 0.201 3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.922 -1.037 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.827 0.967 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.419 -0.439 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.930 1.195 3.383 1.00 0.00 H new ATOM 466 N PRO A 34 6.620 -0.564 6.561 1.00 0.00 N ATOM 467 CA PRO A 34 7.875 -0.535 7.318 1.00 0.00 C ATOM 468 C PRO A 34 9.100 -0.564 6.411 1.00 0.00 C ATOM 469 O PRO A 34 9.244 -1.456 5.574 1.00 0.00 O ATOM 470 CB PRO A 34 7.807 -1.807 8.166 1.00 0.00 C ATOM 471 CG PRO A 34 6.910 -2.722 7.406 1.00 0.00 C ATOM 472 CD PRO A 34 5.903 -1.840 6.722 1.00 0.00 C ATOM 0 HA PRO A 34 7.977 0.379 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.796 -2.245 8.302 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.411 -1.599 9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.474 -3.307 6.679 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.419 -3.430 8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.595 -2.252 5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.000 -1.721 7.321 1.00 0.00 H new ATOM 480 N PHE A 35 9.981 0.416 6.582 1.00 0.00 N ATOM 481 CA PHE A 35 11.194 0.503 5.777 1.00 0.00 C ATOM 482 C PHE A 35 12.435 0.296 6.641 1.00 0.00 C ATOM 483 O PHE A 35 12.736 1.106 7.518 1.00 0.00 O ATOM 484 CB PHE A 35 11.269 1.859 5.074 1.00 0.00 C ATOM 485 CG PHE A 35 10.432 1.936 3.829 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.691 1.104 2.752 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.386 2.840 3.736 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.923 1.173 1.605 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.614 2.913 2.591 1.00 0.00 C ATOM 490 CZ PHE A 35 8.883 2.078 1.525 1.00 0.00 C ATOM 0 H PHE A 35 9.878 1.161 7.271 1.00 0.00 H new ATOM 0 HA PHE A 35 11.159 -0.286 5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.948 2.637 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.307 2.069 4.818 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.502 0.393 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.171 3.495 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.136 0.520 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.802 3.622 2.531 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.281 2.132 0.630 1.00 0.00 H new ATOM 500 N ARG A 36 13.151 -0.794 6.386 1.00 0.00 N ATOM 501 CA ARG A 36 14.358 -1.110 7.140 1.00 0.00 C ATOM 502 C ARG A 36 15.413 -0.023 6.956 1.00 0.00 C ATOM 503 O ARG A 36 16.347 -0.177 6.169 1.00 0.00 O ATOM 504 CB ARG A 36 14.921 -2.462 6.700 1.00 0.00 C ATOM 505 CG ARG A 36 16.023 -2.987 7.606 1.00 0.00 C ATOM 506 CD ARG A 36 16.585 -4.304 7.095 1.00 0.00 C ATOM 507 NE ARG A 36 15.575 -5.359 7.077 1.00 0.00 N ATOM 508 CZ ARG A 36 15.221 -6.056 8.151 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.792 -5.810 9.323 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.294 -7.001 8.055 1.00 0.00 N ATOM 0 H ARG A 36 12.916 -1.474 5.663 1.00 0.00 H new ATOM 0 HA ARG A 36 14.094 -1.161 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.111 -3.190 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.309 -2.372 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.823 -2.250 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.632 -3.124 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.981 -4.164 6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.419 -4.611 7.726 1.00 0.00 H new ATOM 0 HE ARG A 36 15.116 -5.572 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.505 -5.084 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.518 -6.347 10.146 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.852 -7.193 7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.023 -7.535 8.880 1.00 0.00 H new ATOM 524 N VAL A 37 15.257 1.076 7.688 1.00 0.00 N ATOM 525 CA VAL A 37 16.197 2.188 7.606 1.00 0.00 C ATOM 526 C VAL A 37 16.834 2.470 8.962 1.00 0.00 C ATOM 527 O VAL A 37 16.240 2.200 10.007 1.00 0.00 O ATOM 528 CB VAL A 37 15.507 3.469 7.099 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.948 3.256 5.701 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.410 3.900 8.061 1.00 0.00 C ATOM 0 H VAL A 37 14.489 1.220 8.344 1.00 0.00 H new ATOM 0 HA VAL A 37 16.972 1.896 6.897 1.00 0.00 H new ATOM 0 HB VAL A 37 16.249 4.266 7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.464 4.171 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.759 2.998 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.219 2.446 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.934 4.806 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.667 3.107 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.843 4.096 9.042 1.00 0.00 H new ATOM 540 N SER A 38 18.046 3.015 8.939 1.00 0.00 N ATOM 541 CA SER A 38 18.766 3.331 10.167 1.00 0.00 C ATOM 542 C SER A 38 18.773 4.836 10.420 1.00 0.00 C ATOM 543 O SER A 38 19.524 5.332 11.261 1.00 0.00 O ATOM 544 CB SER A 38 20.201 2.809 10.090 1.00 0.00 C ATOM 545 OG SER A 38 20.703 2.504 11.380 1.00 0.00 O ATOM 0 H SER A 38 18.550 3.247 8.083 1.00 0.00 H new ATOM 0 HA SER A 38 18.253 2.843 10.996 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.234 1.918 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.838 3.556 9.616 1.00 0.00 H new ATOM 0 HG SER A 38 21.621 2.171 11.303 1.00 0.00 H new ATOM 551 N PHE A 39 17.932 5.557 9.687 1.00 0.00 N ATOM 552 CA PHE A 39 17.841 7.006 9.830 1.00 0.00 C ATOM 553 C PHE A 39 16.415 7.488 9.584 1.00 0.00 C ATOM 554 O PHE A 39 15.502 6.686 9.388 1.00 0.00 O ATOM 555 CB PHE A 39 18.800 7.697 8.859 1.00 0.00 C ATOM 556 CG PHE A 39 18.715 7.170 7.455 1.00 0.00 C ATOM 557 CD1 PHE A 39 17.594 7.412 6.677 1.00 0.00 C ATOM 558 CD2 PHE A 39 19.755 6.431 6.914 1.00 0.00 C ATOM 559 CE1 PHE A 39 17.512 6.929 5.385 1.00 0.00 C ATOM 560 CE2 PHE A 39 19.679 5.946 5.622 1.00 0.00 C ATOM 561 CZ PHE A 39 18.556 6.194 4.857 1.00 0.00 C ATOM 0 H PHE A 39 17.303 5.162 8.988 1.00 0.00 H new ATOM 0 HA PHE A 39 18.122 7.264 10.851 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.588 8.766 8.851 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.821 7.577 9.222 1.00 0.00 H new ATOM 0 HD1 PHE A 39 16.775 7.985 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 39 20.634 6.232 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 39 16.633 7.126 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.497 5.373 5.211 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.494 5.814 3.848 1.00 0.00 H new ATOM 571 N ARG A 40 16.231 8.804 9.596 1.00 0.00 N ATOM 572 CA ARG A 40 14.916 9.395 9.376 1.00 0.00 C ATOM 573 C ARG A 40 14.609 9.497 7.885 1.00 0.00 C ATOM 574 O ARG A 40 15.345 10.134 7.130 1.00 0.00 O ATOM 575 CB ARG A 40 14.842 10.781 10.019 1.00 0.00 C ATOM 576 CG ARG A 40 13.430 11.207 10.385 1.00 0.00 C ATOM 577 CD ARG A 40 13.020 10.668 11.747 1.00 0.00 C ATOM 578 NE ARG A 40 13.396 11.574 12.829 1.00 0.00 N ATOM 579 CZ ARG A 40 13.559 11.186 14.089 1.00 0.00 C ATOM 580 NH1 ARG A 40 13.381 9.915 14.423 1.00 0.00 N ATOM 581 NH2 ARG A 40 13.902 12.070 15.018 1.00 0.00 N ATOM 0 H ARG A 40 16.976 9.482 9.756 1.00 0.00 H new ATOM 0 HA ARG A 40 14.172 8.747 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.459 10.789 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.267 11.514 9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.367 12.295 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.733 10.850 9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.942 10.510 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.487 9.697 11.908 1.00 0.00 H new ATOM 0 HE ARG A 40 13.541 12.558 12.605 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.118 9.233 13.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.507 9.620 15.391 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.041 13.048 14.765 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.027 11.771 15.985 1.00 0.00 H new ATOM 595 N LEU A 41 13.518 8.865 7.466 1.00 0.00 N ATOM 596 CA LEU A 41 13.113 8.884 6.065 1.00 0.00 C ATOM 597 C LEU A 41 12.649 10.276 5.651 1.00 0.00 C ATOM 598 O LEU A 41 11.784 10.871 6.295 1.00 0.00 O ATOM 599 CB LEU A 41 11.996 7.868 5.823 1.00 0.00 C ATOM 600 CG LEU A 41 12.412 6.397 5.831 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.191 5.495 5.734 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.380 6.110 4.692 1.00 0.00 C ATOM 0 H LEU A 41 12.898 8.333 8.077 1.00 0.00 H new ATOM 0 HA LEU A 41 13.978 8.615 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.230 8.012 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.534 8.089 4.861 1.00 0.00 H new ATOM 0 HG LEU A 41 12.918 6.189 6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.508 4.452 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.533 5.680 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.656 5.705 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.665 5.058 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.899 6.336 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.270 6.730 4.806 1.00 0.00 H new ATOM 614 N LYS A 42 13.227 10.791 4.571 1.00 0.00 N ATOM 615 CA LYS A 42 12.871 12.112 4.068 1.00 0.00 C ATOM 616 C LYS A 42 11.832 12.009 2.956 1.00 0.00 C ATOM 617 O LYS A 42 11.941 11.165 2.068 1.00 0.00 O ATOM 618 CB LYS A 42 14.116 12.836 3.551 1.00 0.00 C ATOM 619 CG LYS A 42 15.229 12.943 4.580 1.00 0.00 C ATOM 620 CD LYS A 42 14.835 13.848 5.735 1.00 0.00 C ATOM 621 CE LYS A 42 14.731 15.300 5.295 1.00 0.00 C ATOM 622 NZ LYS A 42 14.776 16.236 6.453 1.00 0.00 N ATOM 0 H LYS A 42 13.945 10.313 4.027 1.00 0.00 H new ATOM 0 HA LYS A 42 12.441 12.683 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.493 12.311 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.835 13.838 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.471 11.951 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.130 13.330 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.879 13.522 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.571 13.761 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.547 15.531 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.801 15.447 4.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.702 17.215 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.983 16.033 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.674 16.114 6.963 1.00 0.00 H new ATOM 636 N GLY A 43 10.824 12.875 3.012 1.00 0.00 N ATOM 637 CA GLY A 43 9.781 12.865 2.003 1.00 0.00 C ATOM 638 C GLY A 43 10.323 12.612 0.610 1.00 0.00 C ATOM 639 O GLY A 43 9.700 11.915 -0.190 1.00 0.00 O ATOM 0 H GLY A 43 10.711 13.583 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.049 12.096 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.257 13.821 2.017 1.00 0.00 H new ATOM 643 N LYS A 44 11.488 13.180 0.319 1.00 0.00 N ATOM 644 CA LYS A 44 12.116 13.014 -0.987 1.00 0.00 C ATOM 645 C LYS A 44 12.605 11.582 -1.177 1.00 0.00 C ATOM 646 O LYS A 44 12.463 11.005 -2.255 1.00 0.00 O ATOM 647 CB LYS A 44 13.286 13.988 -1.141 1.00 0.00 C ATOM 648 CG LYS A 44 14.357 13.826 -0.077 1.00 0.00 C ATOM 649 CD LYS A 44 15.323 14.999 -0.074 1.00 0.00 C ATOM 650 CE LYS A 44 16.703 14.584 0.410 1.00 0.00 C ATOM 651 NZ LYS A 44 17.598 15.758 0.608 1.00 0.00 N ATOM 0 H LYS A 44 12.017 13.760 0.970 1.00 0.00 H new ATOM 0 HA LYS A 44 11.369 13.229 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.737 13.848 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.905 15.009 -1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.887 13.738 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.907 12.901 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.398 15.412 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.934 15.790 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.609 14.037 1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.152 13.903 -0.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.529 15.433 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.708 16.266 -0.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.183 16.396 1.317 1.00 0.00 H new ATOM 665 N ASP A 45 13.180 11.013 -0.123 1.00 0.00 N ATOM 666 CA ASP A 45 13.688 9.647 -0.173 1.00 0.00 C ATOM 667 C ASP A 45 12.579 8.668 -0.546 1.00 0.00 C ATOM 668 O ASP A 45 12.802 7.718 -1.296 1.00 0.00 O ATOM 669 CB ASP A 45 14.298 9.257 1.174 1.00 0.00 C ATOM 670 CG ASP A 45 15.639 9.920 1.417 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.861 11.025 0.880 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.468 9.333 2.143 1.00 0.00 O ATOM 0 H ASP A 45 13.306 11.477 0.777 1.00 0.00 H new ATOM 0 HA ASP A 45 14.461 9.601 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.610 9.531 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.419 8.174 1.215 1.00 0.00 H new ATOM 677 N VAL A 46 11.383 8.907 -0.017 1.00 0.00 N ATOM 678 CA VAL A 46 10.239 8.047 -0.294 1.00 0.00 C ATOM 679 C VAL A 46 9.410 8.591 -1.452 1.00 0.00 C ATOM 680 O VAL A 46 9.400 9.795 -1.710 1.00 0.00 O ATOM 681 CB VAL A 46 9.335 7.899 0.944 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.085 7.208 2.073 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.817 9.257 1.391 1.00 0.00 C ATOM 0 H VAL A 46 11.181 9.689 0.606 1.00 0.00 H new ATOM 0 HA VAL A 46 10.637 7.069 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 46 8.479 7.280 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.431 7.112 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.402 6.218 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.960 7.799 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.180 9.133 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.658 9.903 1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.241 9.710 0.584 1.00 0.00 H new ATOM 693 N VAL A 47 8.716 7.696 -2.148 1.00 0.00 N ATOM 694 CA VAL A 47 7.882 8.087 -3.278 1.00 0.00 C ATOM 695 C VAL A 47 6.455 7.577 -3.110 1.00 0.00 C ATOM 696 O VAL A 47 6.150 6.432 -3.444 1.00 0.00 O ATOM 697 CB VAL A 47 8.452 7.555 -4.606 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.540 7.925 -5.766 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.859 8.087 -4.833 1.00 0.00 C ATOM 0 H VAL A 47 8.715 6.696 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 47 7.875 9.177 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 47 8.504 6.468 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.960 7.540 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.553 7.490 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.453 9.010 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.246 7.701 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.835 9.176 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.506 7.766 -4.016 1.00 0.00 H new ATOM 709 N VAL A 48 5.583 8.435 -2.591 1.00 0.00 N ATOM 710 CA VAL A 48 4.186 8.073 -2.380 1.00 0.00 C ATOM 711 C VAL A 48 3.264 8.900 -3.267 1.00 0.00 C ATOM 712 O VAL A 48 3.100 10.103 -3.060 1.00 0.00 O ATOM 713 CB VAL A 48 3.773 8.265 -0.908 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.275 8.061 -0.743 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.551 7.316 -0.009 1.00 0.00 C ATOM 0 H VAL A 48 5.819 9.386 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 48 4.089 7.020 -2.643 1.00 0.00 H new ATOM 0 HB VAL A 48 4.011 9.287 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.002 8.201 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.739 8.785 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.009 7.051 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.247 7.465 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.346 6.287 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.618 7.516 -0.106 1.00 0.00 H new ATOM 725 N ASP A 49 2.662 8.249 -4.256 1.00 0.00 N ATOM 726 CA ASP A 49 1.753 8.924 -5.175 1.00 0.00 C ATOM 727 C ASP A 49 0.310 8.499 -4.923 1.00 0.00 C ATOM 728 O ASP A 49 -0.051 7.339 -5.128 1.00 0.00 O ATOM 729 CB ASP A 49 2.141 8.621 -6.623 1.00 0.00 C ATOM 730 CG ASP A 49 1.365 9.461 -7.619 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.173 9.165 -7.843 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.950 10.416 -8.172 1.00 0.00 O ATOM 0 H ASP A 49 2.787 7.254 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 49 1.832 9.997 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.208 8.800 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.967 7.565 -6.829 1.00 0.00 H new ATOM 737 N ILE A 50 -0.510 9.444 -4.477 1.00 0.00 N ATOM 738 CA ILE A 50 -1.914 9.167 -4.196 1.00 0.00 C ATOM 739 C ILE A 50 -2.816 9.757 -5.274 1.00 0.00 C ATOM 740 O ILE A 50 -2.756 10.953 -5.561 1.00 0.00 O ATOM 741 CB ILE A 50 -2.335 9.728 -2.825 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.444 9.157 -1.720 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.798 9.411 -2.550 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.467 9.970 -0.445 1.00 0.00 C ATOM 0 H ILE A 50 -0.227 10.408 -4.302 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.026 8.083 -4.185 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.214 10.811 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.762 8.139 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.419 9.098 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.081 9.814 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.420 9.861 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.943 8.331 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.813 9.507 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.120 10.982 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.484 10.008 -0.056 1.00 0.00 H new ATOM 756 N GLN A 51 -3.653 8.911 -5.866 1.00 0.00 N ATOM 757 CA GLN A 51 -4.570 9.351 -6.912 1.00 0.00 C ATOM 758 C GLN A 51 -6.007 8.970 -6.571 1.00 0.00 C ATOM 759 O GLN A 51 -6.267 8.347 -5.542 1.00 0.00 O ATOM 760 CB GLN A 51 -4.173 8.739 -8.257 1.00 0.00 C ATOM 761 CG GLN A 51 -3.198 9.594 -9.050 1.00 0.00 C ATOM 762 CD GLN A 51 -3.732 10.986 -9.325 1.00 0.00 C ATOM 763 OE1 GLN A 51 -4.523 11.189 -10.247 1.00 0.00 O ATOM 764 NE2 GLN A 51 -3.303 11.954 -8.525 1.00 0.00 N ATOM 0 H GLN A 51 -3.715 7.918 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.508 10.437 -6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.727 7.760 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.071 8.579 -8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.259 9.671 -8.502 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.975 9.101 -9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.647 11.741 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.629 12.911 -8.662 1.00 0.00 H new ATOM 773 N ARG A 52 -6.936 9.350 -7.441 1.00 0.00 N ATOM 774 CA ARG A 52 -8.348 9.050 -7.232 1.00 0.00 C ATOM 775 C ARG A 52 -8.572 7.546 -7.113 1.00 0.00 C ATOM 776 O ARG A 52 -9.157 7.070 -6.140 1.00 0.00 O ATOM 777 CB ARG A 52 -9.187 9.613 -8.380 1.00 0.00 C ATOM 778 CG ARG A 52 -10.679 9.629 -8.093 1.00 0.00 C ATOM 779 CD ARG A 52 -11.037 10.692 -7.066 1.00 0.00 C ATOM 780 NE ARG A 52 -10.839 12.043 -7.585 1.00 0.00 N ATOM 781 CZ ARG A 52 -10.857 13.132 -6.824 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.062 13.029 -5.518 1.00 0.00 N ATOM 783 NH2 ARG A 52 -10.669 14.327 -7.370 1.00 0.00 N ATOM 0 H ARG A 52 -6.737 9.866 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.659 9.521 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.856 10.629 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.004 9.021 -9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.226 9.815 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.991 8.650 -7.729 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.077 10.569 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.427 10.554 -6.173 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.678 12.157 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.206 12.112 -5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.075 13.867 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.511 14.410 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.683 15.163 -6.785 1.00 0.00 H new ATOM 797 N ARG A 53 -8.103 6.802 -8.110 1.00 0.00 N ATOM 798 CA ARG A 53 -8.254 5.352 -8.118 1.00 0.00 C ATOM 799 C ARG A 53 -6.911 4.667 -8.355 1.00 0.00 C ATOM 800 O ARG A 53 -6.830 3.666 -9.067 1.00 0.00 O ATOM 801 CB ARG A 53 -9.253 4.928 -9.196 1.00 0.00 C ATOM 802 CG ARG A 53 -10.019 3.662 -8.852 1.00 0.00 C ATOM 803 CD ARG A 53 -11.404 3.661 -9.481 1.00 0.00 C ATOM 804 NE ARG A 53 -12.219 2.545 -9.007 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.547 2.531 -9.060 1.00 0.00 C ATOM 806 NH1 ARG A 53 -14.205 3.567 -9.562 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.218 1.479 -8.609 1.00 0.00 N ATOM 0 H ARG A 53 -7.615 7.180 -8.922 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.631 5.045 -7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.963 5.739 -9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.719 4.776 -10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.460 2.792 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.110 3.573 -7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.907 4.600 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.310 3.606 -10.566 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.743 1.733 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.692 4.378 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.224 3.553 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.715 0.681 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.237 1.468 -8.650 1.00 0.00 H new ATOM 821 N HIS A 54 -5.859 5.214 -7.753 1.00 0.00 N ATOM 822 CA HIS A 54 -4.520 4.655 -7.899 1.00 0.00 C ATOM 823 C HIS A 54 -3.606 5.135 -6.775 1.00 0.00 C ATOM 824 O HIS A 54 -3.590 6.320 -6.437 1.00 0.00 O ATOM 825 CB HIS A 54 -3.928 5.043 -9.254 1.00 0.00 C ATOM 826 CG HIS A 54 -2.746 4.212 -9.651 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.572 4.753 -10.129 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.562 2.871 -9.637 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.717 3.782 -10.393 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.293 2.629 -10.103 1.00 0.00 N ATOM 0 H HIS A 54 -5.908 6.043 -7.160 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.598 3.569 -7.842 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.700 4.951 -10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.631 6.091 -9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.280 2.129 -9.319 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.283 3.909 -10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.865 1.709 -10.208 1.00 0.00 H new ATOM 839 N LEU A 55 -2.847 4.209 -6.200 1.00 0.00 N ATOM 840 CA LEU A 55 -1.931 4.538 -5.113 1.00 0.00 C ATOM 841 C LEU A 55 -0.580 3.860 -5.317 1.00 0.00 C ATOM 842 O LEU A 55 -0.511 2.702 -5.731 1.00 0.00 O ATOM 843 CB LEU A 55 -2.529 4.115 -3.770 1.00 0.00 C ATOM 844 CG LEU A 55 -1.581 4.154 -2.571 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.152 5.583 -2.277 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.240 3.530 -1.350 1.00 0.00 C ATOM 0 H LEU A 55 -2.847 3.225 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.779 5.617 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.381 4.760 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.914 3.100 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.692 3.573 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.478 5.592 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.640 5.995 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.031 6.188 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.551 3.566 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.146 4.083 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.496 2.493 -1.565 1.00 0.00 H new ATOM 858 N ARG A 56 0.492 4.588 -5.022 1.00 0.00 N ATOM 859 CA ARG A 56 1.842 4.057 -5.171 1.00 0.00 C ATOM 860 C ARG A 56 2.732 4.499 -4.014 1.00 0.00 C ATOM 861 O ARG A 56 2.668 5.646 -3.571 1.00 0.00 O ATOM 862 CB ARG A 56 2.448 4.515 -6.499 1.00 0.00 C ATOM 863 CG ARG A 56 3.779 3.855 -6.820 1.00 0.00 C ATOM 864 CD ARG A 56 4.451 4.509 -8.018 1.00 0.00 C ATOM 865 NE ARG A 56 4.791 5.905 -7.759 1.00 0.00 N ATOM 866 CZ ARG A 56 5.049 6.789 -8.717 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.004 6.422 -9.991 1.00 0.00 N ATOM 868 NH2 ARG A 56 5.351 8.042 -8.403 1.00 0.00 N ATOM 0 H ARG A 56 0.452 5.548 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 56 1.780 2.969 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.743 4.302 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.585 5.596 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.436 3.919 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.621 2.796 -7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.356 3.957 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.789 4.451 -8.882 1.00 0.00 H new ATOM 0 HE ARG A 56 4.833 6.219 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.771 5.460 -10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.202 7.102 -10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.386 8.328 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.549 8.719 -9.140 1.00 0.00 H new ATOM 882 N VAL A 57 3.560 3.581 -3.527 1.00 0.00 N ATOM 883 CA VAL A 57 4.464 3.876 -2.421 1.00 0.00 C ATOM 884 C VAL A 57 5.786 3.133 -2.579 1.00 0.00 C ATOM 885 O VAL A 57 5.829 2.026 -3.114 1.00 0.00 O ATOM 886 CB VAL A 57 3.835 3.500 -1.067 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.841 3.684 0.059 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.582 4.325 -0.814 1.00 0.00 C ATOM 0 H VAL A 57 3.624 2.626 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 57 4.649 4.950 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 57 3.550 2.449 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.378 3.413 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.706 3.045 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.160 4.726 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.151 4.046 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.840 5.384 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.857 4.137 -1.605 1.00 0.00 H new ATOM 898 N GLY A 58 6.865 3.751 -2.108 1.00 0.00 N ATOM 899 CA GLY A 58 8.175 3.134 -2.206 1.00 0.00 C ATOM 900 C GLY A 58 9.300 4.116 -1.945 1.00 0.00 C ATOM 901 O GLY A 58 9.122 5.098 -1.222 1.00 0.00 O ATOM 0 H GLY A 58 6.855 4.668 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.241 2.313 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.297 2.703 -3.200 1.00 0.00 H new ATOM 905 N LEU A 59 10.462 3.853 -2.533 1.00 0.00 N ATOM 906 CA LEU A 59 11.621 4.720 -2.359 1.00 0.00 C ATOM 907 C LEU A 59 12.262 5.049 -3.704 1.00 0.00 C ATOM 908 O LEU A 59 12.547 4.157 -4.502 1.00 0.00 O ATOM 909 CB LEU A 59 12.648 4.055 -1.441 1.00 0.00 C ATOM 910 CG LEU A 59 12.195 3.794 -0.004 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.015 2.676 0.620 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.303 5.064 0.827 1.00 0.00 C ATOM 0 H LEU A 59 10.626 3.046 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 59 11.282 5.650 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.942 3.104 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.539 4.682 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 59 11.151 3.483 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.678 2.505 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.888 1.763 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.068 2.958 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.977 4.860 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.338 5.404 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.671 5.838 0.392 1.00 0.00 H new ATOM 924 N LYS A 60 12.487 6.336 -3.947 1.00 0.00 N ATOM 925 CA LYS A 60 13.097 6.784 -5.193 1.00 0.00 C ATOM 926 C LYS A 60 14.080 5.745 -5.722 1.00 0.00 C ATOM 927 O LYS A 60 13.810 5.068 -6.713 1.00 0.00 O ATOM 928 CB LYS A 60 13.814 8.119 -4.983 1.00 0.00 C ATOM 929 CG LYS A 60 14.080 8.877 -6.272 1.00 0.00 C ATOM 930 CD LYS A 60 12.931 9.810 -6.617 1.00 0.00 C ATOM 931 CE LYS A 60 11.889 9.114 -7.480 1.00 0.00 C ATOM 932 NZ LYS A 60 10.910 10.079 -8.054 1.00 0.00 N ATOM 0 H LYS A 60 12.256 7.087 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 60 12.304 6.916 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.214 8.744 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.762 7.937 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.000 9.453 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.232 8.169 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.464 10.169 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.316 10.684 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.386 8.577 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.360 8.372 -6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.217 9.566 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.417 10.573 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.412 10.772 -8.645 1.00 0.00 H new ATOM 946 N GLY A 61 15.223 5.622 -5.052 1.00 0.00 N ATOM 947 CA GLY A 61 16.228 4.663 -5.469 1.00 0.00 C ATOM 948 C GLY A 61 15.852 3.238 -5.114 1.00 0.00 C ATOM 949 O GLY A 61 16.646 2.510 -4.519 1.00 0.00 O ATOM 0 H GLY A 61 15.470 6.170 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.374 4.739 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.180 4.912 -5.000 1.00 0.00 H new ATOM 953 N GLN A 62 14.637 2.840 -5.478 1.00 0.00 N ATOM 954 CA GLN A 62 14.157 1.493 -5.192 1.00 0.00 C ATOM 955 C GLN A 62 12.779 1.265 -5.804 1.00 0.00 C ATOM 956 O GLN A 62 12.085 2.202 -6.198 1.00 0.00 O ATOM 957 CB GLN A 62 14.102 1.259 -3.681 1.00 0.00 C ATOM 958 CG GLN A 62 15.260 0.429 -3.151 1.00 0.00 C ATOM 959 CD GLN A 62 15.675 0.835 -1.751 1.00 0.00 C ATOM 960 OE1 GLN A 62 16.456 1.770 -1.569 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.155 0.132 -0.751 1.00 0.00 N ATOM 0 H GLN A 62 13.968 3.431 -5.971 1.00 0.00 H new ATOM 0 HA GLN A 62 14.854 0.783 -5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.094 2.223 -3.173 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.165 0.760 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.978 -0.624 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.112 0.531 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.512 -0.635 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.399 0.359 0.213 1.00 0.00 H new ATOM 970 N PRO A 63 12.372 -0.011 -5.888 1.00 0.00 N ATOM 971 CA PRO A 63 11.074 -0.392 -6.452 1.00 0.00 C ATOM 972 C PRO A 63 9.910 0.023 -5.559 1.00 0.00 C ATOM 973 O PRO A 63 10.026 0.085 -4.335 1.00 0.00 O ATOM 974 CB PRO A 63 11.161 -1.918 -6.542 1.00 0.00 C ATOM 975 CG PRO A 63 12.152 -2.303 -5.498 1.00 0.00 C ATOM 976 CD PRO A 63 13.148 -1.179 -5.438 1.00 0.00 C ATOM 0 HA PRO A 63 10.886 0.095 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.192 -2.381 -6.358 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.485 -2.238 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.666 -2.446 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.640 -3.244 -5.752 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.536 -1.039 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.005 -1.366 -6.086 1.00 0.00 H new ATOM 984 N PRO A 64 8.759 0.314 -6.183 1.00 0.00 N ATOM 985 CA PRO A 64 7.551 0.728 -5.464 1.00 0.00 C ATOM 986 C PRO A 64 6.938 -0.412 -4.656 1.00 0.00 C ATOM 987 O PRO A 64 6.284 -1.296 -5.209 1.00 0.00 O ATOM 988 CB PRO A 64 6.601 1.160 -6.584 1.00 0.00 C ATOM 989 CG PRO A 64 7.058 0.401 -7.782 1.00 0.00 C ATOM 990 CD PRO A 64 8.548 0.261 -7.640 1.00 0.00 C ATOM 0 HA PRO A 64 7.759 1.513 -4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.566 0.925 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.652 2.236 -6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.577 -0.576 -7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.801 0.930 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.906 -0.677 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.078 1.064 -8.152 1.00 0.00 H new ATOM 998 N VAL A 65 7.154 -0.384 -3.345 1.00 0.00 N ATOM 999 CA VAL A 65 6.621 -1.414 -2.461 1.00 0.00 C ATOM 1000 C VAL A 65 5.141 -1.658 -2.730 1.00 0.00 C ATOM 1001 O VAL A 65 4.649 -2.778 -2.591 1.00 0.00 O ATOM 1002 CB VAL A 65 6.806 -1.033 -0.980 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.088 0.271 -0.670 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.311 -2.152 -0.076 1.00 0.00 C ATOM 0 H VAL A 65 7.694 0.340 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 65 7.180 -2.327 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 65 7.870 -0.888 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.230 0.524 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.495 1.067 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.023 0.158 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.449 -1.866 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.253 -2.332 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.876 -3.062 -0.280 1.00 0.00 H new ATOM 1014 N VAL A 66 4.433 -0.601 -3.118 1.00 0.00 N ATOM 1015 CA VAL A 66 3.008 -0.701 -3.409 1.00 0.00 C ATOM 1016 C VAL A 66 2.677 -0.066 -4.755 1.00 0.00 C ATOM 1017 O VAL A 66 2.921 1.121 -4.970 1.00 0.00 O ATOM 1018 CB VAL A 66 2.163 -0.024 -2.313 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.679 -0.205 -2.595 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.526 -0.578 -0.944 1.00 0.00 C ATOM 0 H VAL A 66 4.823 0.334 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 66 2.765 -1.763 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 66 2.381 1.044 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.098 0.280 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.434 0.244 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.440 -1.268 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.920 -0.089 -0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.338 -1.651 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.581 -0.391 -0.744 1.00 0.00 H new ATOM 1030 N ASP A 67 2.119 -0.865 -5.658 1.00 0.00 N ATOM 1031 CA ASP A 67 1.752 -0.382 -6.984 1.00 0.00 C ATOM 1032 C ASP A 67 0.593 -1.193 -7.556 1.00 0.00 C ATOM 1033 O ASP A 67 0.766 -2.341 -7.963 1.00 0.00 O ATOM 1034 CB ASP A 67 2.955 -0.453 -7.927 1.00 0.00 C ATOM 1035 CG ASP A 67 3.423 -1.876 -8.162 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.725 -2.573 -7.170 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.488 -2.292 -9.337 1.00 0.00 O ATOM 0 H ASP A 67 1.911 -1.850 -5.496 1.00 0.00 H new ATOM 0 HA ASP A 67 1.434 0.656 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.692 0.002 -8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.775 0.132 -7.510 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.590 -0.586 -7.583 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.760 -1.266 -8.106 1.00 0.00 C ATOM 1044 C GLY A 68 -3.017 -0.427 -7.994 1.00 0.00 C ATOM 1045 O GLY A 68 -3.127 0.422 -7.110 1.00 0.00 O ATOM 0 H GLY A 68 -0.758 0.364 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.590 -1.522 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.903 -2.203 -7.567 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.967 -0.663 -8.894 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.221 0.081 -8.893 1.00 0.00 C ATOM 1051 C GLU A 69 -5.965 -0.108 -7.574 1.00 0.00 C ATOM 1052 O GLU A 69 -6.001 -1.208 -7.021 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.106 -0.365 -10.059 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.498 0.243 -10.034 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.258 0.012 -11.326 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.171 -1.106 -11.874 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.941 0.951 -11.788 1.00 0.00 O ATOM 0 H GLU A 69 -3.892 -1.363 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.986 1.139 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.619 -0.098 -10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.193 -1.451 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.062 -0.183 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.419 1.314 -9.849 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.556 0.972 -7.075 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.299 0.926 -5.820 1.00 0.00 C ATOM 1066 C LEU A 70 -8.645 0.232 -6.009 1.00 0.00 C ATOM 1067 O LEU A 70 -9.317 0.425 -7.022 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.514 2.341 -5.280 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.290 3.017 -4.662 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.536 4.507 -4.482 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.938 2.368 -3.331 1.00 0.00 C ATOM 0 H LEU A 70 -6.535 1.890 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.714 0.354 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.878 2.968 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.303 2.306 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.447 2.889 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.654 4.971 -4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.739 4.962 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.392 4.658 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.064 2.862 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.780 2.465 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.717 1.312 -3.488 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.031 -0.574 -5.027 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.296 -1.297 -5.085 1.00 0.00 C ATOM 1085 C TYR A 71 -11.445 -0.357 -5.436 1.00 0.00 C ATOM 1086 O TYR A 71 -12.299 -0.683 -6.260 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.576 -1.986 -3.748 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.988 -2.511 -3.621 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.486 -3.445 -4.521 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.823 -2.075 -2.600 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.776 -3.927 -4.409 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.114 -2.552 -2.479 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.586 -3.478 -3.387 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.870 -3.957 -3.271 1.00 0.00 O ATOM 0 H TYR A 71 -8.487 -0.743 -4.181 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.217 -2.053 -5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.877 -2.813 -3.622 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.385 -1.281 -2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.854 -3.800 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.456 -1.350 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.148 -4.652 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.750 -2.202 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.306 -3.541 -2.498 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.459 0.812 -4.803 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.503 1.800 -5.047 1.00 0.00 C ATOM 1106 C ASN A 72 -11.930 3.214 -5.020 1.00 0.00 C ATOM 1107 O ASN A 72 -10.764 3.415 -4.681 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.614 1.668 -4.004 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.834 2.499 -4.350 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.091 3.533 -3.733 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.594 2.050 -5.342 1.00 0.00 N ATOM 0 H ASN A 72 -10.759 1.098 -4.118 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.920 1.614 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.904 0.621 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.233 1.975 -3.030 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.428 2.567 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.344 1.188 -5.826 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.759 4.190 -5.377 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.334 5.585 -5.394 1.00 0.00 C ATOM 1120 C GLU A 73 -12.038 6.080 -3.981 1.00 0.00 C ATOM 1121 O GLU A 73 -12.702 5.686 -3.021 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.410 6.461 -6.038 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.276 6.578 -7.547 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.791 7.902 -8.078 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.649 8.515 -7.409 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.336 8.324 -9.161 1.00 0.00 O ATOM 0 H GLU A 73 -13.728 4.041 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.420 5.653 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.391 6.051 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.366 7.458 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.228 6.462 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.823 5.763 -8.021 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.037 6.946 -3.861 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.653 7.496 -2.566 1.00 0.00 C ATOM 1135 C VAL A 74 -10.359 8.988 -2.669 1.00 0.00 C ATOM 1136 O VAL A 74 -9.479 9.409 -3.420 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.416 6.778 -1.996 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.697 5.295 -1.809 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.212 6.990 -2.903 1.00 0.00 C ATOM 0 H VAL A 74 -10.477 7.282 -4.645 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.496 7.340 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.188 7.206 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.811 4.805 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.529 5.167 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.952 4.849 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.347 6.476 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.428 6.590 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.998 8.056 -2.981 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.101 9.786 -1.908 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.920 11.232 -1.910 1.00 0.00 C ATOM 1151 C LYS A 75 -9.439 11.595 -1.870 1.00 0.00 C ATOM 1152 O LYS A 75 -8.848 11.719 -0.797 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.641 11.859 -0.715 1.00 0.00 C ATOM 1154 CG LYS A 75 -12.164 13.259 -0.986 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.379 13.577 -0.131 1.00 0.00 C ATOM 1156 CE LYS A 75 -14.056 14.863 -0.579 1.00 0.00 C ATOM 1157 NZ LYS A 75 -15.100 14.610 -1.610 1.00 0.00 N ATOM 0 H LYS A 75 -11.834 9.454 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.348 11.625 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.475 11.218 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.958 11.893 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.377 13.987 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.425 13.353 -2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.090 12.752 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.077 13.668 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.508 15.355 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.308 15.547 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.538 15.511 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.665 14.164 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.828 13.978 -1.219 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.844 11.766 -3.047 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.433 12.118 -3.146 1.00 0.00 C ATOM 1173 C VAL A 76 -7.170 13.505 -2.572 1.00 0.00 C ATOM 1174 O VAL A 76 -6.180 13.721 -1.875 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.946 12.078 -4.607 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.833 12.944 -5.489 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.494 12.523 -4.697 1.00 0.00 C ATOM 0 H VAL A 76 -9.318 11.666 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.881 11.378 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.010 11.051 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.474 12.904 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.858 12.575 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.803 13.974 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.167 12.489 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.402 13.542 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.872 11.858 -4.098 1.00 0.00 H new ATOM 1187 N GLU A 77 -8.065 14.442 -2.870 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.929 15.810 -2.383 1.00 0.00 C ATOM 1189 C GLU A 77 -7.843 15.839 -0.860 1.00 0.00 C ATOM 1190 O GLU A 77 -7.379 16.816 -0.273 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.109 16.662 -2.855 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.377 16.558 -4.347 1.00 0.00 C ATOM 1193 CD GLU A 77 -10.173 17.734 -4.879 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.615 18.850 -4.938 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.353 17.539 -5.237 1.00 0.00 O ATOM 0 H GLU A 77 -8.891 14.279 -3.446 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.006 16.224 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.004 16.360 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.918 17.705 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.428 16.495 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.919 15.635 -4.552 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.294 14.760 -0.227 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.269 14.663 1.228 1.00 0.00 C ATOM 1204 C GLU A 78 -7.175 13.705 1.690 1.00 0.00 C ATOM 1205 O GLU A 78 -6.536 13.926 2.719 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.628 14.195 1.753 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.599 15.331 2.025 1.00 0.00 C ATOM 1208 CD GLU A 78 -10.291 16.066 3.315 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -10.567 15.506 4.397 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.774 17.201 3.244 1.00 0.00 O ATOM 0 H GLU A 78 -8.680 13.942 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.054 15.653 1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.073 13.514 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.478 13.629 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.570 16.036 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.613 14.934 2.071 1.00 0.00 H new ATOM 1217 N SER A 79 -6.965 12.641 0.923 1.00 0.00 N ATOM 1218 CA SER A 79 -5.952 11.646 1.255 1.00 0.00 C ATOM 1219 C SER A 79 -4.609 12.312 1.536 1.00 0.00 C ATOM 1220 O SER A 79 -4.307 13.377 0.999 1.00 0.00 O ATOM 1221 CB SER A 79 -5.805 10.636 0.115 1.00 0.00 C ATOM 1222 OG SER A 79 -6.810 9.640 0.184 1.00 0.00 O ATOM 0 H SER A 79 -7.483 12.445 0.066 1.00 0.00 H new ATOM 0 HA SER A 79 -6.274 11.122 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.866 11.153 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.821 10.169 0.163 1.00 0.00 H new ATOM 0 HG SER A 79 -7.669 10.022 -0.093 1.00 0.00 H new ATOM 1228 N SER A 80 -3.806 11.676 2.383 1.00 0.00 N ATOM 1229 CA SER A 80 -2.496 12.207 2.740 1.00 0.00 C ATOM 1230 C SER A 80 -1.689 11.180 3.528 1.00 0.00 C ATOM 1231 O SER A 80 -2.248 10.370 4.268 1.00 0.00 O ATOM 1232 CB SER A 80 -2.648 13.490 3.560 1.00 0.00 C ATOM 1233 OG SER A 80 -2.783 14.621 2.717 1.00 0.00 O ATOM 0 H SER A 80 -4.040 10.792 2.835 1.00 0.00 H new ATOM 0 HA SER A 80 -1.961 12.434 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.520 13.410 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.780 13.617 4.207 1.00 0.00 H new ATOM 0 HG SER A 80 -3.105 14.336 1.836 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.371 11.219 3.363 1.00 0.00 N ATOM 1240 CA TRP A 81 0.514 10.292 4.058 1.00 0.00 C ATOM 1241 C TRP A 81 1.507 11.043 4.938 1.00 0.00 C ATOM 1242 O TRP A 81 1.647 12.262 4.832 1.00 0.00 O ATOM 1243 CB TRP A 81 1.265 9.419 3.051 1.00 0.00 C ATOM 1244 CG TRP A 81 2.145 10.203 2.126 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.754 10.908 1.023 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.565 10.360 2.222 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.846 11.494 0.428 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.968 11.174 1.145 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.535 9.895 3.114 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.299 11.529 0.938 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.855 10.247 2.907 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.227 11.058 1.827 1.00 0.00 C ATOM 0 H TRP A 81 0.108 11.883 2.754 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.098 9.654 4.696 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.873 8.694 3.592 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.543 8.853 2.462 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.737 10.993 0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.824 12.073 -0.411 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.258 9.271 3.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.588 12.154 0.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.613 9.891 3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.267 11.317 1.693 1.00 0.00 H new ATOM 1263 N LEU A 82 2.194 10.309 5.806 1.00 0.00 N ATOM 1264 CA LEU A 82 3.175 10.907 6.705 1.00 0.00 C ATOM 1265 C LEU A 82 4.218 9.880 7.133 1.00 0.00 C ATOM 1266 O LEU A 82 3.930 8.685 7.217 1.00 0.00 O ATOM 1267 CB LEU A 82 2.480 11.489 7.937 1.00 0.00 C ATOM 1268 CG LEU A 82 2.006 10.477 8.981 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.098 10.218 10.007 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.737 10.967 9.662 1.00 0.00 C ATOM 0 H LEU A 82 2.090 9.299 5.907 1.00 0.00 H new ATOM 0 HA LEU A 82 3.681 11.710 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.165 12.186 8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.619 12.068 7.604 1.00 0.00 H new ATOM 0 HG LEU A 82 1.782 9.539 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.743 9.496 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.981 9.822 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.354 11.151 10.510 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.415 10.234 10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.933 11.919 10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.048 11.100 8.917 1.00 0.00 H new ATOM 1282 N ILE A 83 5.430 10.352 7.405 1.00 0.00 N ATOM 1283 CA ILE A 83 6.515 9.475 7.828 1.00 0.00 C ATOM 1284 C ILE A 83 6.469 9.231 9.332 1.00 0.00 C ATOM 1285 O ILE A 83 6.447 10.173 10.124 1.00 0.00 O ATOM 1286 CB ILE A 83 7.890 10.060 7.456 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.046 10.125 5.935 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.004 9.229 8.074 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.195 11.000 5.483 1.00 0.00 C ATOM 0 H ILE A 83 5.685 11.337 7.340 1.00 0.00 H new ATOM 0 HA ILE A 83 6.379 8.529 7.304 1.00 0.00 H new ATOM 0 HB ILE A 83 7.957 11.073 7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.194 9.116 5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.120 10.500 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.970 9.655 7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.900 9.230 9.159 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.942 8.205 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.246 11.000 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.038 12.018 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.129 10.613 5.890 1.00 0.00 H new ATOM 1301 N GLU A 84 6.456 7.959 9.720 1.00 0.00 N ATOM 1302 CA GLU A 84 6.414 7.591 11.130 1.00 0.00 C ATOM 1303 C GLU A 84 7.782 7.114 11.609 1.00 0.00 C ATOM 1304 O GLU A 84 8.418 6.276 10.969 1.00 0.00 O ATOM 1305 CB GLU A 84 5.370 6.498 11.364 1.00 0.00 C ATOM 1306 CG GLU A 84 3.986 7.036 11.688 1.00 0.00 C ATOM 1307 CD GLU A 84 3.977 7.917 12.922 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.314 9.114 12.798 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.635 7.411 14.010 1.00 0.00 O ATOM 0 H GLU A 84 6.474 7.167 9.078 1.00 0.00 H new ATOM 0 HA GLU A 84 6.137 8.477 11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.308 5.871 10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.703 5.859 12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.613 7.606 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.301 6.201 11.837 1.00 0.00 H new ATOM 1316 N ASP A 85 8.229 7.653 12.738 1.00 0.00 N ATOM 1317 CA ASP A 85 9.521 7.283 13.304 1.00 0.00 C ATOM 1318 C ASP A 85 10.577 7.157 12.210 1.00 0.00 C ATOM 1319 O ASP A 85 11.497 6.347 12.312 1.00 0.00 O ATOM 1320 CB ASP A 85 9.406 5.966 14.073 1.00 0.00 C ATOM 1321 CG ASP A 85 8.734 6.140 15.421 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.181 7.007 16.200 1.00 0.00 O ATOM 1323 OD2 ASP A 85 7.760 5.408 15.696 1.00 0.00 O ATOM 0 H ASP A 85 7.715 8.348 13.280 1.00 0.00 H new ATOM 0 HA ASP A 85 9.828 8.071 13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.840 5.249 13.478 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.401 5.545 14.218 1.00 0.00 H new ATOM 1328 N GLY A 86 10.436 7.964 11.163 1.00 0.00 N ATOM 1329 CA GLY A 86 11.384 7.926 10.065 1.00 0.00 C ATOM 1330 C GLY A 86 11.790 6.513 9.697 1.00 0.00 C ATOM 1331 O GLY A 86 12.853 6.295 9.115 1.00 0.00 O ATOM 0 H GLY A 86 9.683 8.643 11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.946 8.413 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.272 8.497 10.336 1.00 0.00 H new ATOM 1335 N LYS A 87 10.943 5.548 10.040 1.00 0.00 N ATOM 1336 CA LYS A 87 11.219 4.147 9.744 1.00 0.00 C ATOM 1337 C LYS A 87 10.050 3.508 9.001 1.00 0.00 C ATOM 1338 O LYS A 87 10.188 2.438 8.409 1.00 0.00 O ATOM 1339 CB LYS A 87 11.497 3.376 11.036 1.00 0.00 C ATOM 1340 CG LYS A 87 10.421 3.551 12.093 1.00 0.00 C ATOM 1341 CD LYS A 87 10.916 3.134 13.467 1.00 0.00 C ATOM 1342 CE LYS A 87 10.957 1.620 13.608 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.643 1.198 14.861 1.00 0.00 N ATOM 0 H LYS A 87 10.060 5.711 10.523 1.00 0.00 H new ATOM 0 HA LYS A 87 12.101 4.104 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.596 2.316 10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.453 3.703 11.445 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.103 4.593 12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.547 2.958 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.912 3.543 13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.264 3.554 14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.940 1.227 13.600 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.472 1.189 12.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.650 0.160 14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.621 1.551 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.137 1.588 15.682 1.00 0.00 H new ATOM 1357 N VAL A 88 8.899 4.173 9.034 1.00 0.00 N ATOM 1358 CA VAL A 88 7.706 3.671 8.362 1.00 0.00 C ATOM 1359 C VAL A 88 6.988 4.787 7.612 1.00 0.00 C ATOM 1360 O VAL A 88 7.105 5.961 7.963 1.00 0.00 O ATOM 1361 CB VAL A 88 6.728 3.026 9.361 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.587 2.341 8.624 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.459 2.042 10.262 1.00 0.00 C ATOM 0 H VAL A 88 8.768 5.061 9.519 1.00 0.00 H new ATOM 0 HA VAL A 88 8.038 2.914 7.651 1.00 0.00 H new ATOM 0 HB VAL A 88 6.305 3.811 9.987 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.906 1.891 9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.048 3.075 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.989 1.566 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.753 1.596 10.962 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.911 1.259 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.237 2.566 10.817 1.00 0.00 H new ATOM 1373 N VAL A 89 6.243 4.413 6.576 1.00 0.00 N ATOM 1374 CA VAL A 89 5.503 5.382 5.777 1.00 0.00 C ATOM 1375 C VAL A 89 4.008 5.082 5.794 1.00 0.00 C ATOM 1376 O VAL A 89 3.533 4.195 5.085 1.00 0.00 O ATOM 1377 CB VAL A 89 5.995 5.398 4.317 1.00 0.00 C ATOM 1378 CG1 VAL A 89 4.991 6.110 3.423 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.364 6.055 4.224 1.00 0.00 C ATOM 0 H VAL A 89 6.136 3.446 6.271 1.00 0.00 H new ATOM 0 HA VAL A 89 5.679 6.361 6.223 1.00 0.00 H new ATOM 0 HB VAL A 89 6.087 4.368 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.355 6.111 2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.033 5.592 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.864 7.137 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.696 6.058 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.301 7.081 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.077 5.498 4.832 1.00 0.00 H new ATOM 1389 N THR A 90 3.270 5.828 6.611 1.00 0.00 N ATOM 1390 CA THR A 90 1.829 5.643 6.722 1.00 0.00 C ATOM 1391 C THR A 90 1.085 6.486 5.693 1.00 0.00 C ATOM 1392 O THR A 90 1.436 7.641 5.451 1.00 0.00 O ATOM 1393 CB THR A 90 1.323 6.007 8.130 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.820 7.295 8.512 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.761 4.966 9.149 1.00 0.00 C ATOM 0 H THR A 90 3.647 6.566 7.205 1.00 0.00 H new ATOM 0 HA THR A 90 1.631 4.588 6.534 1.00 0.00 H new ATOM 0 HB THR A 90 0.234 6.031 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.492 7.520 9.408 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.392 5.245 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.356 3.993 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.850 4.913 9.171 1.00 0.00 H new ATOM 1403 N VAL A 91 0.055 5.902 5.089 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.740 6.601 4.086 1.00 0.00 C ATOM 1405 C VAL A 91 -2.230 6.492 4.393 1.00 0.00 C ATOM 1406 O VAL A 91 -2.803 5.403 4.366 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.477 6.046 2.674 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.236 6.853 1.632 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.015 6.041 2.374 1.00 0.00 C ATOM 0 H VAL A 91 -0.249 4.946 5.277 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.440 7.648 4.118 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.837 5.018 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.037 6.446 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.305 6.800 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.910 7.893 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.183 5.646 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.401 7.059 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.530 5.415 3.102 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.852 7.630 4.685 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.277 7.663 4.996 1.00 0.00 C ATOM 1421 C HIS A 92 -5.108 7.793 3.724 1.00 0.00 C ATOM 1422 O HIS A 92 -4.923 8.726 2.941 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.587 8.824 5.942 1.00 0.00 C ATOM 1424 CG HIS A 92 -6.009 9.288 5.875 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.930 9.040 6.871 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.667 9.992 4.924 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.093 9.568 6.534 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.960 10.152 5.357 1.00 0.00 N ATOM 0 H HIS A 92 -2.393 8.540 4.713 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.539 6.725 5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.361 8.520 6.964 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.929 9.660 5.705 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.252 10.359 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.999 9.529 7.121 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.698 10.642 4.852 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.024 6.852 3.522 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.884 6.861 2.344 1.00 0.00 C ATOM 1439 C LEU A 93 -8.333 7.141 2.729 1.00 0.00 C ATOM 1440 O LEU A 93 -8.952 6.366 3.456 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.789 5.522 1.609 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.395 5.117 1.130 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.351 3.630 0.811 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -4.988 5.937 -0.085 1.00 0.00 C ATOM 0 H LEU A 93 -6.190 6.073 4.159 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.543 7.657 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.166 4.741 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.452 5.557 0.745 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.685 5.317 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.351 3.360 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.597 3.058 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.073 3.405 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.993 5.634 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.701 5.770 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.978 6.995 0.177 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.867 8.253 2.234 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.244 8.634 2.526 1.00 0.00 C ATOM 1458 C GLU A 94 -11.215 7.924 1.588 1.00 0.00 C ATOM 1459 O GLU A 94 -11.104 8.027 0.366 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.414 10.150 2.402 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.518 10.712 3.282 1.00 0.00 C ATOM 1462 CD GLU A 94 -11.249 12.141 3.712 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -10.317 12.353 4.516 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -11.971 13.047 3.246 1.00 0.00 O ATOM 0 H GLU A 94 -8.368 8.905 1.629 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.469 8.333 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.473 10.635 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.627 10.400 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.464 10.671 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.628 10.085 4.167 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.168 7.202 2.168 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.160 6.474 1.387 1.00 0.00 C ATOM 1473 C LYS A 95 -14.286 7.400 0.938 1.00 0.00 C ATOM 1474 O LYS A 95 -15.007 7.961 1.763 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.735 5.316 2.205 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.786 4.137 2.341 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.467 2.946 2.993 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.452 1.957 3.546 1.00 0.00 C ATOM 1479 NZ LYS A 95 -13.110 0.776 4.170 1.00 0.00 N ATOM 0 H LYS A 95 -12.274 7.106 3.178 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.666 6.075 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.995 5.679 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.659 4.976 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.416 3.851 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.920 4.432 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.115 3.292 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.104 2.446 2.264 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.795 1.624 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.825 2.456 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.654 0.565 5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.117 0.982 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.020 -0.046 3.539 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.430 7.556 -0.374 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.470 8.412 -0.931 1.00 0.00 C ATOM 1495 C ILE A 96 -16.792 8.222 -0.195 1.00 0.00 C ATOM 1496 O ILE A 96 -17.542 9.175 0.009 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.685 8.133 -2.430 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.454 8.559 -3.233 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.927 8.857 -2.931 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.180 10.046 -3.175 1.00 0.00 C ATOM 0 H ILE A 96 -13.840 7.101 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.132 9.441 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.832 7.062 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.582 8.022 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.588 8.263 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.066 8.650 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.799 8.510 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.807 9.930 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.294 10.276 -3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.035 10.589 -3.577 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -14.014 10.345 -2.140 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.069 6.985 0.202 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.300 6.669 0.918 1.00 0.00 C ATOM 1514 C ASN A 97 -17.997 5.985 2.247 1.00 0.00 C ATOM 1515 O ASN A 97 -17.414 4.901 2.281 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.196 5.772 0.062 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.932 6.547 -1.014 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.079 7.766 -0.926 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.400 5.841 -2.037 1.00 0.00 N ATOM 0 H ASN A 97 -16.458 6.184 0.040 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.822 7.604 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.589 4.996 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.920 5.269 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.904 6.308 -2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -20.255 4.832 -2.069 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.398 6.624 3.340 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.172 6.078 4.673 1.00 0.00 C ATOM 1528 C LYS A 98 -19.028 4.838 4.905 1.00 0.00 C ATOM 1529 O LYS A 98 -18.776 4.061 5.825 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.483 7.132 5.738 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.760 8.450 5.519 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.410 8.468 6.217 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.701 9.800 6.024 1.00 0.00 C ATOM 1534 NZ LYS A 98 -16.418 10.913 6.704 1.00 0.00 N ATOM 0 H LYS A 98 -18.882 7.522 3.329 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.123 5.793 4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.557 7.315 5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.213 6.737 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.621 8.617 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.374 9.269 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.547 8.278 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.787 7.663 5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.685 9.731 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.620 10.017 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.816 11.761 6.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.302 11.119 6.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.638 10.638 7.682 1.00 0.00 H new ATOM 1548 N MET A 99 -20.042 4.658 4.064 1.00 0.00 N ATOM 1549 CA MET A 99 -20.934 3.510 4.177 1.00 0.00 C ATOM 1550 C MET A 99 -20.522 2.405 3.209 1.00 0.00 C ATOM 1551 O MET A 99 -21.366 1.666 2.702 1.00 0.00 O ATOM 1552 CB MET A 99 -22.379 3.931 3.904 1.00 0.00 C ATOM 1553 CG MET A 99 -23.081 4.516 5.118 1.00 0.00 C ATOM 1554 SD MET A 99 -23.415 3.282 6.389 1.00 0.00 S ATOM 1555 CE MET A 99 -22.111 3.643 7.563 1.00 0.00 C ATOM 0 H MET A 99 -20.266 5.292 3.297 1.00 0.00 H new ATOM 0 HA MET A 99 -20.862 3.124 5.194 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.389 4.666 3.100 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.941 3.066 3.552 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.466 5.310 5.541 1.00 0.00 H new ATOM 0 HG3 MET A 99 -24.020 4.973 4.805 1.00 0.00 H new ATOM 0 HE1 MET A 99 -21.684 2.710 7.930 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.334 4.230 7.074 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.521 4.209 8.400 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.221 2.298 2.958 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.700 1.283 2.050 1.00 0.00 C ATOM 1567 C GLU A 100 -17.498 0.569 2.664 1.00 0.00 C ATOM 1568 O GLU A 100 -16.673 1.187 3.337 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.303 1.917 0.715 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.763 0.919 -0.295 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.860 0.265 -1.113 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.376 0.917 -2.044 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.202 -0.900 -0.821 1.00 0.00 O ATOM 0 H GLU A 100 -18.509 2.901 3.370 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.487 0.549 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.171 2.419 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.549 2.683 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.068 1.426 -0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.197 0.149 0.228 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.408 -0.734 2.427 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.309 -1.533 2.957 1.00 0.00 C ATOM 1582 C TRP A 101 -15.291 -1.849 1.867 1.00 0.00 C ATOM 1583 O TRP A 101 -15.572 -1.692 0.678 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.841 -2.831 3.566 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.248 -2.690 5.002 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.522 -2.623 5.490 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.377 -2.597 6.134 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.495 -2.494 6.858 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.191 -2.477 7.277 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.989 -2.607 6.294 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.661 -2.365 8.560 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.464 -2.495 7.567 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.298 -2.377 8.687 1.00 0.00 C ATOM 0 H TRP A 101 -18.082 -1.260 1.871 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.813 -0.952 3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.698 -3.172 2.985 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.075 -3.602 3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.419 -2.665 4.889 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.313 -2.423 7.463 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.338 -2.701 5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.302 -2.272 9.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.392 -2.498 7.701 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.857 -2.294 9.669 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.110 -2.295 2.278 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.050 -2.633 1.334 1.00 0.00 C ATOM 1606 C TRP A 102 -12.598 -4.078 1.518 1.00 0.00 C ATOM 1607 O TRP A 102 -12.504 -4.570 2.642 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.861 -1.687 1.510 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.022 -0.389 0.780 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.143 0.390 0.729 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.030 0.281 -0.006 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.907 1.503 -0.041 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.618 1.460 -0.503 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.701 0.000 -0.336 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.923 2.355 -1.312 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -9.013 0.889 -1.140 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.624 2.055 -1.620 1.00 0.00 C ATOM 0 H TRP A 102 -13.862 -2.431 3.258 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.447 -2.522 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.722 -1.484 2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.956 -2.183 1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.077 0.164 1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.582 2.242 -0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.221 -0.895 0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.392 3.254 -1.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.986 0.681 -1.403 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -9.059 2.730 -2.245 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.319 -4.752 0.407 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.876 -6.141 0.447 1.00 0.00 C ATOM 1630 C ASN A 103 -10.355 -6.230 0.367 1.00 0.00 C ATOM 1631 O ASN A 103 -9.769 -7.275 0.650 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.506 -6.932 -0.702 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.366 -6.224 -2.035 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -12.106 -5.022 -2.089 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -12.539 -6.969 -3.121 1.00 0.00 N ATOM 0 H ASN A 103 -12.392 -4.359 -0.532 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.197 -6.572 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.037 -7.914 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -13.562 -7.096 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -12.458 -6.548 -4.047 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.753 -7.962 -3.029 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.723 -5.127 -0.021 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.271 -5.081 -0.139 1.00 0.00 C ATOM 1644 C ARG A 104 -7.794 -3.662 -0.434 1.00 0.00 C ATOM 1645 O ARG A 104 -8.571 -2.814 -0.875 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.797 -6.029 -1.241 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.426 -5.750 -2.597 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.912 -6.711 -3.658 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.371 -6.346 -4.995 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.545 -6.716 -5.496 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.373 -7.459 -4.774 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.892 -6.344 -6.722 1.00 0.00 N ATOM 0 H ARG A 104 -10.194 -4.254 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.844 -5.399 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.713 -5.955 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.024 -7.054 -0.949 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.510 -5.836 -2.521 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.208 -4.725 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.822 -6.722 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.245 -7.722 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.757 -5.776 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.109 -7.748 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.274 -7.742 -5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.257 -5.774 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.793 -6.629 -7.105 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.514 -3.410 -0.188 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.933 -2.093 -0.427 1.00 0.00 C ATOM 1668 C LEU A 105 -5.844 -1.800 -1.921 1.00 0.00 C ATOM 1669 O LEU A 105 -6.420 -0.827 -2.409 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.543 -2.005 0.206 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.679 -0.823 -0.236 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.238 0.481 0.312 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.238 -1.019 0.213 1.00 0.00 C ATOM 0 H LEU A 105 -5.858 -4.100 0.177 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.582 -1.348 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.661 -1.959 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.005 -2.926 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.695 -0.772 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.610 1.311 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.252 0.626 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.252 0.441 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.637 -0.169 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.203 -1.096 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.840 -1.933 -0.229 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.121 -2.650 -2.643 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.959 -2.484 -4.083 1.00 0.00 C ATOM 1687 C VAL A 106 -5.261 -3.783 -4.823 1.00 0.00 C ATOM 1688 O VAL A 106 -5.629 -4.788 -4.213 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.533 -2.024 -4.438 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.320 -0.576 -4.021 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.502 -2.932 -3.786 1.00 0.00 C ATOM 0 H VAL A 106 -4.638 -3.460 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.668 -1.717 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.408 -2.088 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.307 -0.268 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.036 0.061 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.464 -0.482 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.500 -2.592 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.624 -2.902 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.642 -3.954 -4.139 1.00 0.00 H new ATOM 1701 N THR A 107 -5.103 -3.756 -6.142 1.00 0.00 N ATOM 1702 CA THR A 107 -5.359 -4.931 -6.967 1.00 0.00 C ATOM 1703 C THR A 107 -4.143 -5.849 -7.008 1.00 0.00 C ATOM 1704 O THR A 107 -3.954 -6.602 -7.963 1.00 0.00 O ATOM 1705 CB THR A 107 -5.738 -4.535 -8.406 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.665 -3.806 -9.013 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.003 -3.690 -8.419 1.00 0.00 C ATOM 0 H THR A 107 -4.799 -2.933 -6.663 1.00 0.00 H new ATOM 0 HA THR A 107 -6.196 -5.461 -6.512 1.00 0.00 H new ATOM 0 HB THR A 107 -5.923 -5.447 -8.973 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.914 -3.560 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.251 -3.422 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.825 -4.258 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.841 -2.783 -7.837 1.00 0.00 H new ATOM 1715 N SER A 108 -3.321 -5.782 -5.965 1.00 0.00 N ATOM 1716 CA SER A 108 -2.120 -6.606 -5.884 1.00 0.00 C ATOM 1717 C SER A 108 -2.162 -7.507 -4.654 1.00 0.00 C ATOM 1718 O SER A 108 -1.830 -8.690 -4.726 1.00 0.00 O ATOM 1719 CB SER A 108 -0.872 -5.723 -5.842 1.00 0.00 C ATOM 1720 OG SER A 108 0.250 -6.400 -6.382 1.00 0.00 O ATOM 0 H SER A 108 -3.465 -5.166 -5.165 1.00 0.00 H new ATOM 0 HA SER A 108 -2.080 -7.236 -6.773 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.052 -4.806 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.664 -5.431 -4.813 1.00 0.00 H new ATOM 0 HG SER A 108 1.035 -5.814 -6.345 1.00 0.00 H new ATOM 1726 N ASP A 109 -2.572 -6.938 -3.526 1.00 0.00 N ATOM 1727 CA ASP A 109 -2.658 -7.688 -2.278 1.00 0.00 C ATOM 1728 C ASP A 109 -3.789 -8.710 -2.336 1.00 0.00 C ATOM 1729 O ASP A 109 -4.688 -8.632 -3.175 1.00 0.00 O ATOM 1730 CB ASP A 109 -2.874 -6.737 -1.100 1.00 0.00 C ATOM 1731 CG ASP A 109 -3.562 -5.451 -1.512 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -4.691 -5.526 -2.040 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.972 -4.370 -1.308 1.00 0.00 O ATOM 0 H ASP A 109 -2.850 -5.960 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.717 -8.220 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.472 -7.237 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.911 -6.501 -0.646 1.00 0.00 H new ATOM 1738 N PRO A 110 -3.746 -9.694 -1.425 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.759 -10.751 -1.352 1.00 0.00 C ATOM 1740 C PRO A 110 -6.108 -10.228 -0.868 1.00 0.00 C ATOM 1741 O PRO A 110 -6.197 -9.131 -0.319 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.172 -11.736 -0.338 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.266 -10.912 0.509 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.705 -9.849 -0.396 1.00 0.00 C ATOM 0 HA PRO A 110 -4.959 -11.192 -2.328 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.955 -12.204 0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.628 -12.539 -0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.809 -10.468 1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.469 -11.521 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.528 -8.917 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.752 -10.153 -0.830 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.154 -11.022 -1.076 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.498 -10.638 -0.660 1.00 0.00 C ATOM 1754 C GLU A 111 -8.799 -11.149 0.746 1.00 0.00 C ATOM 1755 O GLU A 111 -8.145 -12.070 1.236 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.535 -11.182 -1.645 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.616 -10.393 -2.941 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.603 -10.988 -3.926 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -10.665 -12.232 -4.024 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -11.312 -10.211 -4.599 1.00 0.00 O ATOM 0 H GLU A 111 -7.097 -11.934 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.551 -9.549 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.295 -12.220 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.514 -11.180 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.905 -9.366 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.628 -10.354 -3.401 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.792 -10.544 1.389 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.180 -10.937 2.737 1.00 0.00 C ATOM 1769 C ILE A 112 -11.695 -10.897 2.907 1.00 0.00 C ATOM 1770 O ILE A 112 -12.371 -10.043 2.336 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.532 -10.027 3.798 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.638 -8.560 3.376 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.078 -10.419 4.013 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.462 -7.588 4.522 1.00 0.00 C ATOM 0 H ILE A 112 -10.342 -9.780 0.998 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.827 -11.958 2.881 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.065 -10.153 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.885 -8.354 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.611 -8.392 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.633 -9.768 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.026 -11.453 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.531 -10.317 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.549 -6.567 4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.231 -7.768 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.478 -7.728 4.970 1.00 0.00 H new