USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 786 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 16 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.15) USER MOD Single : A 19 HIS : no HE2:sc= -14.2! C(o=-14!,f=-15!) USER MOD Single : A 23 HIS : no HD1:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 29 SER OG : rot 49:sc= -0.822! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.11) USER MOD Single : A 39 THR OG1 : rot 26:sc= -0.0691 USER MOD Single : A 41 THR OG1 : rot -160:sc= -0.144 USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -3.13! (180deg=-5.96!) USER MOD Single : A 47 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.5!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.45 USER MOD Single : A 53 TYR OH : rot -79:sc= -3.53! USER MOD Single : A 57 MET CE :methyl -129:sc= -1.04 (180deg=-3.23!) USER MOD Single : A 58 SER OG : rot 65:sc= 0.981 USER MOD Single : A 60 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.023) USER MOD Single : A 61 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -58:sc= 0.923 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00916 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 70:sc= 0.636 USER MOD Single : A 90 GLN : amide:sc= -0.869 X(o=-0.87,f=-0.91) USER MOD Single : A 94 CYS SG : rot -122:sc= -2.08! USER MOD Single : A 97 ASN : amide:sc= -3.07! C(o=-3.1!,f=-16!) USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= -0.441 (180deg=-1.42) USER MOD Single : A 103 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.7!) USER MOD Single : A 105 SER OG : rot 160:sc= -1.17 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -150:sc= -0.162 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.724 -14.921 0.759 1.00 0.00 N ATOM 212 CA GLN A 16 16.668 -15.325 -0.154 1.00 0.00 C ATOM 213 C GLN A 16 15.660 -14.189 -0.336 1.00 0.00 C ATOM 214 O GLN A 16 15.649 -13.234 0.439 1.00 0.00 O ATOM 215 CB GLN A 16 15.977 -16.598 0.336 1.00 0.00 C ATOM 216 CG GLN A 16 14.945 -16.280 1.420 1.00 0.00 C ATOM 217 CD GLN A 16 15.166 -17.149 2.659 1.00 0.00 C ATOM 218 OE1 GLN A 16 14.243 -17.710 3.228 1.00 0.00 O ATOM 219 NE2 GLN A 16 16.436 -17.229 3.045 1.00 0.00 N ATOM 0 HA GLN A 16 17.117 -15.545 -1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.488 -17.096 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.721 -17.291 0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.012 -15.227 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.940 -16.445 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.160 -16.734 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.686 -17.785 3.863 1.00 0.00 H new ATOM 228 N LEU A 17 14.837 -14.329 -1.366 1.00 0.00 N ATOM 229 CA LEU A 17 13.828 -13.327 -1.659 1.00 0.00 C ATOM 230 C LEU A 17 12.895 -13.180 -0.455 1.00 0.00 C ATOM 231 O LEU A 17 12.535 -14.171 0.179 1.00 0.00 O ATOM 232 CB LEU A 17 13.101 -13.664 -2.963 1.00 0.00 C ATOM 233 CG LEU A 17 13.766 -13.169 -4.249 1.00 0.00 C ATOM 234 CD1 LEU A 17 13.031 -13.694 -5.483 1.00 0.00 C ATOM 235 CD2 LEU A 17 13.879 -11.643 -4.255 1.00 0.00 C ATOM 0 H LEU A 17 14.849 -15.122 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 17 14.293 -12.355 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.994 -14.747 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.095 -13.246 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 17 14.780 -13.567 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.524 -13.327 -6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.046 -14.784 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.998 -13.345 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.355 -11.317 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.884 -11.204 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.479 -11.319 -3.404 1.00 0.00 H new ATOM 247 N PRO A 18 12.521 -11.904 -0.169 1.00 0.00 N ATOM 248 CA PRO A 18 11.638 -11.616 0.948 1.00 0.00 C ATOM 249 C PRO A 18 10.194 -12.002 0.618 1.00 0.00 C ATOM 250 O PRO A 18 9.871 -12.285 -0.534 1.00 0.00 O ATOM 251 CB PRO A 18 11.810 -10.129 1.211 1.00 0.00 C ATOM 252 CG PRO A 18 12.423 -9.549 -0.053 1.00 0.00 C ATOM 253 CD PRO A 18 12.929 -10.707 -0.899 1.00 0.00 C ATOM 0 HA PRO A 18 11.882 -12.195 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.852 -9.658 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.456 -9.957 2.072 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.684 -8.968 -0.604 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.240 -8.872 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.496 -10.686 -1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.012 -10.666 -1.020 1.00 0.00 H new ATOM 261 N HIS A 19 9.365 -12.001 1.652 1.00 0.00 N ATOM 262 CA HIS A 19 7.963 -12.347 1.487 1.00 0.00 C ATOM 263 C HIS A 19 7.125 -11.070 1.404 1.00 0.00 C ATOM 264 O HIS A 19 7.635 -9.973 1.626 1.00 0.00 O ATOM 265 CB HIS A 19 7.502 -13.288 2.601 1.00 0.00 C ATOM 266 CG HIS A 19 6.781 -12.594 3.732 1.00 0.00 C ATOM 267 ND1 HIS A 19 5.481 -12.903 4.095 1.00 0.00 N ATOM 268 CD2 HIS A 19 7.191 -11.604 4.576 1.00 0.00 C ATOM 269 CE1 HIS A 19 5.135 -12.128 5.112 1.00 0.00 C ATOM 270 NE2 HIS A 19 6.196 -11.323 5.408 1.00 0.00 N ATOM 0 H HIS A 19 9.637 -11.766 2.607 1.00 0.00 H new ATOM 0 HA HIS A 19 7.826 -12.890 0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 19 6.844 -14.045 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.370 -13.811 3.003 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.890 -13.608 3.654 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.161 -11.129 4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.181 -12.133 5.618 1.00 0.00 H new ATOM 278 N ALA A 20 5.853 -11.255 1.084 1.00 0.00 N ATOM 279 CA ALA A 20 4.939 -10.131 0.970 1.00 0.00 C ATOM 280 C ALA A 20 4.586 -9.622 2.368 1.00 0.00 C ATOM 281 O ALA A 20 4.807 -10.315 3.360 1.00 0.00 O ATOM 282 CB ALA A 20 3.703 -10.557 0.175 1.00 0.00 C ATOM 0 H ALA A 20 5.433 -12.166 0.900 1.00 0.00 H new ATOM 0 HA ALA A 20 5.407 -9.309 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.017 -9.714 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.005 -10.882 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.205 -11.379 0.689 1.00 0.00 H new ATOM 288 N PRO A 21 4.028 -8.382 2.405 1.00 0.00 N ATOM 289 CA PRO A 21 3.642 -7.771 3.666 1.00 0.00 C ATOM 290 C PRO A 21 2.359 -8.402 4.210 1.00 0.00 C ATOM 291 O PRO A 21 1.546 -8.920 3.446 1.00 0.00 O ATOM 292 CB PRO A 21 3.492 -6.291 3.356 1.00 0.00 C ATOM 293 CG PRO A 21 3.344 -6.193 1.846 1.00 0.00 C ATOM 294 CD PRO A 21 3.752 -7.531 1.251 1.00 0.00 C ATOM 0 HA PRO A 21 4.380 -7.926 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.622 -5.873 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.361 -5.730 3.700 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.315 -5.954 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.970 -5.393 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.957 -7.948 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.631 -7.430 0.615 1.00 0.00 H new ATOM 302 N GLU A 22 2.217 -8.337 5.525 1.00 0.00 N ATOM 303 CA GLU A 22 1.047 -8.895 6.181 1.00 0.00 C ATOM 304 C GLU A 22 0.102 -7.776 6.623 1.00 0.00 C ATOM 305 O GLU A 22 0.391 -6.598 6.418 1.00 0.00 O ATOM 306 CB GLU A 22 1.449 -9.774 7.367 1.00 0.00 C ATOM 307 CG GLU A 22 1.407 -11.256 6.990 1.00 0.00 C ATOM 308 CD GLU A 22 1.005 -12.116 8.191 1.00 0.00 C ATOM 309 OE1 GLU A 22 1.927 -12.528 8.927 1.00 0.00 O ATOM 310 OE2 GLU A 22 -0.215 -12.340 8.345 1.00 0.00 O ATOM 0 H GLU A 22 2.894 -7.906 6.155 1.00 0.00 H new ATOM 0 HA GLU A 22 0.521 -9.527 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.453 -9.508 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.777 -9.589 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.698 -11.408 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.385 -11.570 6.624 1.00 0.00 H new ATOM 317 N HIS A 23 -1.008 -8.184 7.221 1.00 0.00 N ATOM 318 CA HIS A 23 -1.997 -7.230 7.694 1.00 0.00 C ATOM 319 C HIS A 23 -2.064 -6.041 6.734 1.00 0.00 C ATOM 320 O HIS A 23 -1.886 -4.896 7.144 1.00 0.00 O ATOM 321 CB HIS A 23 -1.702 -6.811 9.136 1.00 0.00 C ATOM 322 CG HIS A 23 -2.841 -7.064 10.094 1.00 0.00 C ATOM 323 ND1 HIS A 23 -4.054 -6.403 10.008 1.00 0.00 N ATOM 324 CD2 HIS A 23 -2.939 -7.912 11.158 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.839 -6.840 10.982 1.00 0.00 C ATOM 326 NE2 HIS A 23 -4.146 -7.775 11.694 1.00 0.00 N ATOM 0 H HIS A 23 -1.244 -9.162 7.389 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.981 -7.698 7.707 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.820 -7.348 9.486 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.456 -5.749 9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.166 -8.581 11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.850 -6.513 11.178 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.497 -8.285 12.505 1.00 0.00 H new ATOM 334 N PRO A 24 -2.328 -6.363 5.439 1.00 0.00 N ATOM 335 CA PRO A 24 -2.421 -5.335 4.416 1.00 0.00 C ATOM 336 C PRO A 24 -3.739 -4.566 4.530 1.00 0.00 C ATOM 337 O PRO A 24 -4.685 -4.835 3.791 1.00 0.00 O ATOM 338 CB PRO A 24 -2.279 -6.078 3.098 1.00 0.00 C ATOM 339 CG PRO A 24 -2.578 -7.536 3.406 1.00 0.00 C ATOM 340 CD PRO A 24 -2.545 -7.709 4.916 1.00 0.00 C ATOM 0 HA PRO A 24 -1.648 -4.573 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.971 -5.687 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.274 -5.963 2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.554 -7.817 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.842 -8.185 2.931 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.479 -8.132 5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.746 -8.385 5.220 1.00 0.00 H new ATOM 348 N VAL A 25 -3.759 -3.624 5.462 1.00 0.00 N ATOM 349 CA VAL A 25 -4.945 -2.814 5.683 1.00 0.00 C ATOM 350 C VAL A 25 -4.792 -1.483 4.945 1.00 0.00 C ATOM 351 O VAL A 25 -3.691 -0.940 4.857 1.00 0.00 O ATOM 352 CB VAL A 25 -5.190 -2.642 7.183 1.00 0.00 C ATOM 353 CG1 VAL A 25 -6.620 -2.173 7.455 1.00 0.00 C ATOM 354 CG2 VAL A 25 -4.884 -3.936 7.940 1.00 0.00 C ATOM 0 H VAL A 25 -2.972 -3.404 6.073 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.827 -3.310 5.279 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.510 -1.872 7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.767 -2.059 8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.789 -1.216 6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.324 -2.910 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.066 -3.787 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.527 -4.735 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.840 -4.210 7.786 1.00 0.00 H new ATOM 364 N ALA A 26 -5.912 -0.993 4.434 1.00 0.00 N ATOM 365 CA ALA A 26 -5.916 0.265 3.707 1.00 0.00 C ATOM 366 C ALA A 26 -7.172 1.057 4.075 1.00 0.00 C ATOM 367 O ALA A 26 -8.283 0.670 3.714 1.00 0.00 O ATOM 368 CB ALA A 26 -5.821 -0.013 2.206 1.00 0.00 C ATOM 0 H ALA A 26 -6.823 -1.445 4.509 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.052 0.870 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.824 0.931 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.898 -0.552 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.673 -0.616 1.893 1.00 0.00 H new ATOM 374 N THR A 27 -6.955 2.152 4.789 1.00 0.00 N ATOM 375 CA THR A 27 -8.055 3.002 5.209 1.00 0.00 C ATOM 376 C THR A 27 -7.887 4.412 4.640 1.00 0.00 C ATOM 377 O THR A 27 -6.770 4.845 4.364 1.00 0.00 O ATOM 378 CB THR A 27 -8.122 2.968 6.737 1.00 0.00 C ATOM 379 OG1 THR A 27 -6.786 2.675 7.137 1.00 0.00 O ATOM 380 CG2 THR A 27 -8.936 1.783 7.261 1.00 0.00 C ATOM 0 H THR A 27 -6.033 2.470 5.087 1.00 0.00 H new ATOM 0 HA THR A 27 -9.006 2.639 4.819 1.00 0.00 H new ATOM 0 HB THR A 27 -8.558 3.898 7.102 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.738 2.636 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.952 1.806 8.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.956 1.846 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.481 0.852 6.924 1.00 0.00 H new ATOM 388 N LEU A 28 -9.015 5.090 4.482 1.00 0.00 N ATOM 389 CA LEU A 28 -9.007 6.443 3.951 1.00 0.00 C ATOM 390 C LEU A 28 -8.509 7.407 5.029 1.00 0.00 C ATOM 391 O LEU A 28 -8.359 7.023 6.189 1.00 0.00 O ATOM 392 CB LEU A 28 -10.383 6.806 3.389 1.00 0.00 C ATOM 393 CG LEU A 28 -10.477 6.922 1.867 1.00 0.00 C ATOM 394 CD1 LEU A 28 -11.923 7.147 1.422 1.00 0.00 C ATOM 395 CD2 LEU A 28 -9.540 8.012 1.341 1.00 0.00 C ATOM 0 H LEU A 28 -9.940 4.728 4.712 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.315 6.519 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.099 6.054 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.693 7.756 3.826 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.149 5.978 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.961 7.226 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.538 6.308 1.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.301 8.068 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.626 8.074 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.813 8.971 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.512 7.769 1.610 1.00 0.00 H new ATOM 407 N SER A 29 -8.265 8.639 4.610 1.00 0.00 N ATOM 408 CA SER A 29 -7.787 9.661 5.525 1.00 0.00 C ATOM 409 C SER A 29 -8.970 10.441 6.103 1.00 0.00 C ATOM 410 O SER A 29 -9.760 11.019 5.359 1.00 0.00 O ATOM 411 CB SER A 29 -6.813 10.613 4.828 1.00 0.00 C ATOM 412 OG SER A 29 -5.612 9.955 4.435 1.00 0.00 O ATOM 0 H SER A 29 -8.389 8.953 3.648 1.00 0.00 H new ATOM 0 HA SER A 29 -7.253 9.169 6.338 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.294 11.045 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.572 11.439 5.497 1.00 0.00 H new ATOM 0 HG SER A 29 -5.833 9.128 3.958 1.00 0.00 H new ATOM 418 N THR A 30 -9.054 10.431 7.425 1.00 0.00 N ATOM 419 CA THR A 30 -10.127 11.131 8.112 1.00 0.00 C ATOM 420 C THR A 30 -9.700 12.559 8.454 1.00 0.00 C ATOM 421 O THR A 30 -10.216 13.157 9.397 1.00 0.00 O ATOM 422 CB THR A 30 -10.522 10.304 9.337 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.379 10.374 10.186 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.660 8.814 9.020 1.00 0.00 C ATOM 0 H THR A 30 -8.397 9.950 8.039 1.00 0.00 H new ATOM 0 HA THR A 30 -11.005 11.233 7.474 1.00 0.00 H new ATOM 0 HB THR A 30 -11.464 10.678 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.549 9.865 11.006 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.942 8.274 9.924 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.428 8.673 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.709 8.431 8.650 1.00 0.00 H new ATOM 432 N VAL A 31 -8.761 13.066 7.669 1.00 0.00 N ATOM 433 CA VAL A 31 -8.258 14.413 7.877 1.00 0.00 C ATOM 434 C VAL A 31 -7.813 14.999 6.535 1.00 0.00 C ATOM 435 O VAL A 31 -8.170 16.127 6.197 1.00 0.00 O ATOM 436 CB VAL A 31 -7.141 14.399 8.923 1.00 0.00 C ATOM 437 CG1 VAL A 31 -5.899 15.128 8.408 1.00 0.00 C ATOM 438 CG2 VAL A 31 -7.622 15.001 10.245 1.00 0.00 C ATOM 0 H VAL A 31 -8.335 12.568 6.887 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.044 15.058 8.269 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.867 13.360 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.120 15.103 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.538 14.637 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.153 16.164 8.182 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.810 14.979 10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.936 16.032 10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.463 14.421 10.624 1.00 0.00 H new ATOM 448 N GLU A 32 -7.039 14.208 5.807 1.00 0.00 N ATOM 449 CA GLU A 32 -6.542 14.634 4.510 1.00 0.00 C ATOM 450 C GLU A 32 -7.517 14.223 3.406 1.00 0.00 C ATOM 451 O GLU A 32 -7.828 13.042 3.255 1.00 0.00 O ATOM 452 CB GLU A 32 -5.145 14.069 4.246 1.00 0.00 C ATOM 453 CG GLU A 32 -4.118 15.193 4.093 1.00 0.00 C ATOM 454 CD GLU A 32 -4.289 15.912 2.753 1.00 0.00 C ATOM 455 OE1 GLU A 32 -3.876 15.318 1.733 1.00 0.00 O ATOM 456 OE2 GLU A 32 -4.828 17.039 2.778 1.00 0.00 O ATOM 0 H GLU A 32 -6.744 13.274 6.091 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.464 15.721 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.853 13.414 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.160 13.460 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.230 15.906 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.111 14.783 4.164 1.00 0.00 H new ATOM 463 N ARG A 33 -7.974 15.220 2.662 1.00 0.00 N ATOM 464 CA ARG A 33 -8.908 14.976 1.576 1.00 0.00 C ATOM 465 C ARG A 33 -8.216 14.222 0.439 1.00 0.00 C ATOM 466 O ARG A 33 -7.106 14.572 0.043 1.00 0.00 O ATOM 467 CB ARG A 33 -9.478 16.289 1.035 1.00 0.00 C ATOM 468 CG ARG A 33 -10.771 16.666 1.761 1.00 0.00 C ATOM 469 CD ARG A 33 -11.909 15.715 1.385 1.00 0.00 C ATOM 470 NE ARG A 33 -13.104 16.006 2.207 1.00 0.00 N ATOM 471 CZ ARG A 33 -13.280 15.563 3.459 1.00 0.00 C ATOM 472 NH1 ARG A 33 -12.340 14.805 4.041 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.397 15.876 4.130 1.00 0.00 N ATOM 0 H ARG A 33 -7.715 16.198 2.790 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.725 14.373 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.744 17.085 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.671 16.193 -0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.609 16.637 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.049 17.689 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.150 15.823 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.596 14.682 1.537 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.840 16.580 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.490 14.565 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.475 14.468 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.113 16.452 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.531 15.539 5.083 1.00 0.00 H new ATOM 487 N ARG A 34 -8.900 13.199 -0.053 1.00 0.00 N ATOM 488 CA ARG A 34 -8.365 12.392 -1.136 1.00 0.00 C ATOM 489 C ARG A 34 -7.010 11.803 -0.739 1.00 0.00 C ATOM 490 O ARG A 34 -6.034 11.927 -1.478 1.00 0.00 O ATOM 491 CB ARG A 34 -8.199 13.222 -2.411 1.00 0.00 C ATOM 492 CG ARG A 34 -9.380 14.176 -2.602 1.00 0.00 C ATOM 493 CD ARG A 34 -9.542 14.560 -4.074 1.00 0.00 C ATOM 494 NE ARG A 34 -8.486 15.521 -4.465 1.00 0.00 N ATOM 495 CZ ARG A 34 -8.574 16.846 -4.289 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.669 17.376 -3.728 1.00 0.00 N ATOM 497 NH2 ARG A 34 -7.567 17.642 -4.675 1.00 0.00 N ATOM 0 H ARG A 34 -9.820 12.911 0.279 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.073 11.586 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.271 13.792 -2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.119 12.559 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.295 13.705 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.228 15.074 -2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.484 13.669 -4.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.525 15.001 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.638 15.151 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.436 16.771 -3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.736 18.385 -3.594 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.733 17.239 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.634 18.651 -4.541 1.00 0.00 H new ATOM 511 N ALA A 35 -6.993 11.174 0.427 1.00 0.00 N ATOM 512 CA ALA A 35 -5.773 10.565 0.931 1.00 0.00 C ATOM 513 C ALA A 35 -6.126 9.295 1.708 1.00 0.00 C ATOM 514 O ALA A 35 -7.023 9.308 2.550 1.00 0.00 O ATOM 515 CB ALA A 35 -5.012 11.579 1.786 1.00 0.00 C ATOM 0 H ALA A 35 -7.804 11.073 1.037 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.119 10.277 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.097 11.122 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.760 12.449 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.636 11.889 2.624 1.00 0.00 H new ATOM 521 N ILE A 36 -5.402 8.230 1.398 1.00 0.00 N ATOM 522 CA ILE A 36 -5.628 6.954 2.057 1.00 0.00 C ATOM 523 C ILE A 36 -4.396 6.590 2.887 1.00 0.00 C ATOM 524 O ILE A 36 -3.265 6.833 2.467 1.00 0.00 O ATOM 525 CB ILE A 36 -6.019 5.885 1.035 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.372 6.206 0.396 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.000 4.491 1.665 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.619 5.332 -0.835 1.00 0.00 C ATOM 0 H ILE A 36 -4.659 8.224 0.700 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.469 7.024 2.747 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.277 5.888 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.168 6.049 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.403 7.258 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.282 3.750 0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.998 4.272 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.707 4.457 2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.587 5.581 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.835 5.510 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.611 4.282 -0.543 1.00 0.00 H new ATOM 540 N ASN A 37 -4.656 6.012 4.051 1.00 0.00 N ATOM 541 CA ASN A 37 -3.582 5.611 4.944 1.00 0.00 C ATOM 542 C ASN A 37 -3.410 4.092 4.879 1.00 0.00 C ATOM 543 O ASN A 37 -4.227 3.348 5.421 1.00 0.00 O ATOM 544 CB ASN A 37 -3.899 5.990 6.392 1.00 0.00 C ATOM 545 CG ASN A 37 -3.020 7.150 6.861 1.00 0.00 C ATOM 546 OD1 ASN A 37 -1.804 7.122 6.761 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.700 8.170 7.376 1.00 0.00 N ATOM 0 H ASN A 37 -5.595 5.812 4.396 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.673 6.123 4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.950 6.268 6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.744 5.127 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.204 8.993 7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.718 8.129 7.430 1.00 0.00 H new ATOM 554 N LEU A 38 -2.344 3.677 4.211 1.00 0.00 N ATOM 555 CA LEU A 38 -2.055 2.260 4.069 1.00 0.00 C ATOM 556 C LEU A 38 -1.220 1.791 5.262 1.00 0.00 C ATOM 557 O LEU A 38 -0.333 2.508 5.724 1.00 0.00 O ATOM 558 CB LEU A 38 -1.402 1.980 2.714 1.00 0.00 C ATOM 559 CG LEU A 38 -1.614 0.576 2.144 1.00 0.00 C ATOM 560 CD1 LEU A 38 -2.878 0.518 1.284 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.377 0.102 1.379 1.00 0.00 C ATOM 0 H LEU A 38 -1.670 4.297 3.762 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.978 1.681 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.782 2.704 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.330 2.155 2.807 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.760 -0.112 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.005 -0.491 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.744 0.783 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.787 1.221 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.554 -0.898 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.174 0.786 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.480 0.080 2.052 1.00 0.00 H new ATOM 573 N THR A 39 -1.533 0.591 5.728 1.00 0.00 N ATOM 574 CA THR A 39 -0.823 0.018 6.858 1.00 0.00 C ATOM 575 C THR A 39 -0.658 -1.492 6.675 1.00 0.00 C ATOM 576 O THR A 39 -1.643 -2.213 6.525 1.00 0.00 O ATOM 577 CB THR A 39 -1.580 0.397 8.133 1.00 0.00 C ATOM 578 OG1 THR A 39 -2.901 -0.085 7.908 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.755 1.910 8.283 1.00 0.00 C ATOM 0 H THR A 39 -2.269 -0.000 5.343 1.00 0.00 H new ATOM 0 HA THR A 39 0.189 0.416 6.933 1.00 0.00 H new ATOM 0 HB THR A 39 -1.048 0.006 9.001 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.873 -0.832 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.298 2.124 9.204 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.776 2.388 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.316 2.297 7.432 1.00 0.00 H new ATOM 587 N TRP A 40 0.594 -1.924 6.694 1.00 0.00 N ATOM 588 CA TRP A 40 0.900 -3.336 6.532 1.00 0.00 C ATOM 589 C TRP A 40 1.927 -3.722 7.598 1.00 0.00 C ATOM 590 O TRP A 40 2.460 -2.858 8.294 1.00 0.00 O ATOM 591 CB TRP A 40 1.376 -3.633 5.109 1.00 0.00 C ATOM 592 CG TRP A 40 2.662 -2.903 4.716 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.921 -3.358 4.780 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.764 -1.562 4.194 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.823 -2.411 4.339 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.097 -1.284 3.971 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.762 -0.614 3.919 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.551 -0.061 3.463 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.232 0.603 3.412 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.571 0.898 3.181 1.00 0.00 C ATOM 0 H TRP A 40 1.408 -1.322 6.819 1.00 0.00 H new ATOM 0 HA TRP A 40 0.006 -3.944 6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.535 -4.707 5.007 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.587 -3.359 4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.195 -4.341 5.132 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.836 -2.518 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.713 -0.810 4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.601 0.132 3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.503 1.367 3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.854 1.863 2.786 1.00 0.00 H new ATOM 611 N THR A 41 2.174 -5.020 7.693 1.00 0.00 N ATOM 612 CA THR A 41 3.128 -5.531 8.663 1.00 0.00 C ATOM 613 C THR A 41 4.507 -5.694 8.021 1.00 0.00 C ATOM 614 O THR A 41 4.620 -5.781 6.799 1.00 0.00 O ATOM 615 CB THR A 41 2.567 -6.834 9.236 1.00 0.00 C ATOM 616 OG1 THR A 41 1.396 -6.429 9.939 1.00 0.00 O ATOM 617 CG2 THR A 41 3.465 -7.431 10.321 1.00 0.00 C ATOM 0 H THR A 41 1.730 -5.733 7.114 1.00 0.00 H new ATOM 0 HA THR A 41 3.269 -4.830 9.486 1.00 0.00 H new ATOM 0 HB THR A 41 2.439 -7.558 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.149 -7.120 10.589 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.021 -8.354 10.694 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.448 -7.645 9.902 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.566 -6.720 11.141 1.00 0.00 H new ATOM 625 N LYS A 42 5.521 -5.729 8.873 1.00 0.00 N ATOM 626 CA LYS A 42 6.888 -5.879 8.404 1.00 0.00 C ATOM 627 C LYS A 42 7.125 -7.335 7.997 1.00 0.00 C ATOM 628 O LYS A 42 7.115 -8.229 8.841 1.00 0.00 O ATOM 629 CB LYS A 42 7.874 -5.366 9.454 1.00 0.00 C ATOM 630 CG LYS A 42 9.258 -5.138 8.842 1.00 0.00 C ATOM 631 CD LYS A 42 10.143 -6.374 9.014 1.00 0.00 C ATOM 632 CE LYS A 42 11.537 -6.136 8.430 1.00 0.00 C ATOM 633 NZ LYS A 42 11.767 -7.015 7.262 1.00 0.00 N ATOM 0 H LYS A 42 5.423 -5.656 9.886 1.00 0.00 H new ATOM 0 HA LYS A 42 7.056 -5.268 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.503 -4.434 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.947 -6.084 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.157 -4.903 7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.732 -4.278 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.226 -6.622 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.680 -7.229 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.640 -5.092 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.294 -6.327 9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.441 -6.561 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.155 -7.925 7.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.867 -7.178 6.768 1.00 0.00 H new ATOM 647 N PRO A 43 7.340 -7.532 6.668 1.00 0.00 N ATOM 648 CA PRO A 43 7.579 -8.864 6.139 1.00 0.00 C ATOM 649 C PRO A 43 8.995 -9.340 6.473 1.00 0.00 C ATOM 650 O PRO A 43 9.904 -8.528 6.637 1.00 0.00 O ATOM 651 CB PRO A 43 7.331 -8.744 4.644 1.00 0.00 C ATOM 652 CG PRO A 43 7.416 -7.260 4.325 1.00 0.00 C ATOM 653 CD PRO A 43 7.359 -6.497 5.639 1.00 0.00 C ATOM 0 HA PRO A 43 6.923 -9.615 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.073 -9.308 4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.354 -9.146 4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.341 -7.036 3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.594 -6.962 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.222 -5.841 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.470 -5.868 5.693 1.00 0.00 H new ATOM 661 N PHE A 44 9.136 -10.654 6.563 1.00 0.00 N ATOM 662 CA PHE A 44 10.425 -11.248 6.875 1.00 0.00 C ATOM 663 C PHE A 44 11.441 -10.967 5.765 1.00 0.00 C ATOM 664 O PHE A 44 11.066 -10.774 4.610 1.00 0.00 O ATOM 665 CB PHE A 44 10.208 -12.759 6.980 1.00 0.00 C ATOM 666 CG PHE A 44 11.439 -13.592 6.617 1.00 0.00 C ATOM 667 CD1 PHE A 44 11.676 -13.925 5.319 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.296 -13.999 7.591 1.00 0.00 C ATOM 669 CE1 PHE A 44 12.818 -14.698 4.982 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.439 -14.772 7.253 1.00 0.00 C ATOM 671 CZ PHE A 44 13.675 -15.105 5.956 1.00 0.00 C ATOM 0 H PHE A 44 8.379 -11.324 6.425 1.00 0.00 H new ATOM 0 HA PHE A 44 10.814 -10.827 7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.905 -13.002 7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.384 -13.044 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.995 -13.601 4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.108 -13.735 8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 44 13.006 -14.963 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.120 -15.095 8.026 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.544 -15.693 5.699 1.00 0.00 H new ATOM 681 N ASP A 45 12.707 -10.954 6.156 1.00 0.00 N ATOM 682 CA ASP A 45 13.779 -10.700 5.209 1.00 0.00 C ATOM 683 C ASP A 45 14.655 -11.949 5.089 1.00 0.00 C ATOM 684 O ASP A 45 15.225 -12.409 6.077 1.00 0.00 O ATOM 685 CB ASP A 45 14.666 -9.544 5.678 1.00 0.00 C ATOM 686 CG ASP A 45 15.734 -9.924 6.706 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.344 -10.510 7.738 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.915 -9.620 6.435 1.00 0.00 O ATOM 0 H ASP A 45 13.014 -11.115 7.115 1.00 0.00 H new ATOM 0 HA ASP A 45 13.328 -10.443 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.159 -9.108 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.030 -8.769 6.106 1.00 0.00 H new ATOM 693 N GLY A 46 14.734 -12.462 3.870 1.00 0.00 N ATOM 694 CA GLY A 46 15.530 -13.649 3.609 1.00 0.00 C ATOM 695 C GLY A 46 16.790 -13.666 4.477 1.00 0.00 C ATOM 696 O GLY A 46 17.089 -14.669 5.124 1.00 0.00 O ATOM 0 H GLY A 46 14.260 -12.078 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.935 -14.541 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.809 -13.680 2.556 1.00 0.00 H new ATOM 700 N ASN A 47 17.495 -12.545 4.462 1.00 0.00 N ATOM 701 CA ASN A 47 18.716 -12.419 5.240 1.00 0.00 C ATOM 702 C ASN A 47 19.434 -11.125 4.849 1.00 0.00 C ATOM 703 O ASN A 47 20.660 -11.092 4.765 1.00 0.00 O ATOM 704 CB ASN A 47 19.666 -13.587 4.968 1.00 0.00 C ATOM 705 CG ASN A 47 19.991 -14.341 6.259 1.00 0.00 C ATOM 706 OD1 ASN A 47 19.891 -13.818 7.356 1.00 0.00 O ATOM 707 ND2 ASN A 47 20.386 -15.597 6.067 1.00 0.00 N ATOM 0 H ASN A 47 17.245 -11.716 3.924 1.00 0.00 H new ATOM 0 HA ASN A 47 18.444 -12.414 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.213 -14.269 4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.587 -13.215 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.627 -16.184 6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.448 -15.973 5.121 1.00 0.00 H new ATOM 714 N SER A 48 18.638 -10.091 4.619 1.00 0.00 N ATOM 715 CA SER A 48 19.182 -8.798 4.239 1.00 0.00 C ATOM 716 C SER A 48 18.205 -7.686 4.625 1.00 0.00 C ATOM 717 O SER A 48 17.005 -7.924 4.750 1.00 0.00 O ATOM 718 CB SER A 48 19.480 -8.746 2.739 1.00 0.00 C ATOM 719 OG SER A 48 20.784 -8.236 2.472 1.00 0.00 O ATOM 0 H SER A 48 17.621 -10.122 4.688 1.00 0.00 H new ATOM 0 HA SER A 48 20.120 -8.650 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.388 -9.746 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.737 -8.121 2.243 1.00 0.00 H new ATOM 0 HG SER A 48 20.937 -8.220 1.504 1.00 0.00 H new ATOM 725 N PRO A 49 18.770 -6.462 4.806 1.00 0.00 N ATOM 726 CA PRO A 49 17.962 -5.312 5.175 1.00 0.00 C ATOM 727 C PRO A 49 17.158 -4.801 3.978 1.00 0.00 C ATOM 728 O PRO A 49 17.730 -4.393 2.969 1.00 0.00 O ATOM 729 CB PRO A 49 18.954 -4.289 5.705 1.00 0.00 C ATOM 730 CG PRO A 49 20.315 -4.719 5.185 1.00 0.00 C ATOM 731 CD PRO A 49 20.188 -6.142 4.666 1.00 0.00 C ATOM 0 HA PRO A 49 17.212 -5.549 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.703 -3.286 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.943 -4.263 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.648 -4.051 4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.060 -4.667 5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.510 -6.215 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.808 -6.830 5.241 1.00 0.00 H new ATOM 739 N LEU A 50 15.842 -4.839 4.131 1.00 0.00 N ATOM 740 CA LEU A 50 14.953 -4.385 3.075 1.00 0.00 C ATOM 741 C LEU A 50 15.542 -3.133 2.421 1.00 0.00 C ATOM 742 O LEU A 50 16.167 -2.314 3.093 1.00 0.00 O ATOM 743 CB LEU A 50 13.536 -4.186 3.617 1.00 0.00 C ATOM 744 CG LEU A 50 12.831 -5.445 4.127 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.660 -5.083 5.043 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.394 -6.339 2.965 1.00 0.00 C ATOM 0 H LEU A 50 15.370 -5.177 4.970 1.00 0.00 H new ATOM 0 HA LEU A 50 14.869 -5.143 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.578 -3.462 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.925 -3.745 2.829 1.00 0.00 H new ATOM 0 HG LEU A 50 13.542 -6.017 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.176 -5.995 5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.029 -4.518 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.940 -4.478 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.896 -7.226 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.706 -5.790 2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.269 -6.639 2.388 1.00 0.00 H new ATOM 758 N ILE A 51 15.322 -3.025 1.119 1.00 0.00 N ATOM 759 CA ILE A 51 15.823 -1.887 0.368 1.00 0.00 C ATOM 760 C ILE A 51 14.695 -0.872 0.175 1.00 0.00 C ATOM 761 O ILE A 51 14.839 0.296 0.534 1.00 0.00 O ATOM 762 CB ILE A 51 16.463 -2.351 -0.943 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.885 -2.864 -0.706 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.422 -1.242 -1.996 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.602 -3.125 -2.033 1.00 0.00 C ATOM 0 H ILE A 51 14.804 -3.707 0.565 1.00 0.00 H new ATOM 0 HA ILE A 51 16.614 -1.383 0.923 1.00 0.00 H new ATOM 0 HB ILE A 51 15.879 -3.185 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.446 -2.134 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.851 -3.782 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.883 -1.598 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.386 -0.965 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.967 -0.372 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.611 -3.489 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.051 -3.873 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.656 -2.199 -2.606 1.00 0.00 H new ATOM 777 N ARG A 52 13.598 -1.353 -0.391 1.00 0.00 N ATOM 778 CA ARG A 52 12.447 -0.502 -0.635 1.00 0.00 C ATOM 779 C ARG A 52 11.210 -1.353 -0.928 1.00 0.00 C ATOM 780 O ARG A 52 11.247 -2.576 -0.794 1.00 0.00 O ATOM 781 CB ARG A 52 12.699 0.441 -1.814 1.00 0.00 C ATOM 782 CG ARG A 52 12.706 -0.326 -3.137 1.00 0.00 C ATOM 783 CD ARG A 52 12.616 0.632 -4.327 1.00 0.00 C ATOM 784 NE ARG A 52 13.968 0.898 -4.866 1.00 0.00 N ATOM 785 CZ ARG A 52 14.205 1.557 -6.008 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.182 2.021 -6.739 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.465 1.753 -6.420 1.00 0.00 N ATOM 0 H ARG A 52 13.482 -2.322 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 52 12.279 0.093 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.928 1.211 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.653 0.950 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.617 -0.920 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.868 -1.022 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.984 0.202 -5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.149 1.567 -4.017 1.00 0.00 H new ATOM 0 HE ARG A 52 14.770 0.558 -4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.223 1.872 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.363 2.523 -7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.244 1.400 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.645 2.255 -7.290 1.00 0.00 H new ATOM 801 N TYR A 53 10.142 -0.674 -1.321 1.00 0.00 N ATOM 802 CA TYR A 53 8.896 -1.353 -1.634 1.00 0.00 C ATOM 803 C TYR A 53 8.216 -0.718 -2.848 1.00 0.00 C ATOM 804 O TYR A 53 8.362 0.479 -3.091 1.00 0.00 O ATOM 805 CB TYR A 53 7.999 -1.172 -0.408 1.00 0.00 C ATOM 806 CG TYR A 53 8.268 -2.176 0.715 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.436 -2.097 1.445 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.344 -3.161 0.997 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.690 -3.041 2.502 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.597 -4.106 2.053 1.00 0.00 C ATOM 811 CZ TYR A 53 8.758 -3.999 2.754 1.00 0.00 C ATOM 812 OH TYR A 53 8.998 -4.892 3.752 1.00 0.00 O ATOM 0 H TYR A 53 10.114 0.340 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 53 9.078 -2.402 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.133 -0.163 -0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.957 -1.259 -0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.160 -1.327 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.430 -3.223 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.600 -2.990 3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.882 -4.882 2.283 1.00 0.00 H new ATOM 0 HH TYR A 53 9.617 -5.581 3.432 1.00 0.00 H new ATOM 822 N ILE A 54 7.486 -1.549 -3.578 1.00 0.00 N ATOM 823 CA ILE A 54 6.782 -1.083 -4.761 1.00 0.00 C ATOM 824 C ILE A 54 5.277 -1.081 -4.486 1.00 0.00 C ATOM 825 O ILE A 54 4.655 -2.139 -4.409 1.00 0.00 O ATOM 826 CB ILE A 54 7.182 -1.912 -5.983 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.687 -1.813 -6.244 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.361 -1.512 -7.210 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.107 -2.738 -7.388 1.00 0.00 C ATOM 0 H ILE A 54 7.367 -2.541 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 54 7.066 -0.056 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 54 6.959 -2.958 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.950 -0.784 -6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.235 -2.076 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.665 -2.117 -8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.302 -1.676 -7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.529 -0.458 -7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.181 -2.648 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.864 -3.769 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.576 -2.457 -8.297 1.00 0.00 H new ATOM 841 N LEU A 55 4.735 0.120 -4.346 1.00 0.00 N ATOM 842 CA LEU A 55 3.315 0.274 -4.081 1.00 0.00 C ATOM 843 C LEU A 55 2.550 0.275 -5.406 1.00 0.00 C ATOM 844 O LEU A 55 2.754 1.153 -6.244 1.00 0.00 O ATOM 845 CB LEU A 55 3.061 1.515 -3.223 1.00 0.00 C ATOM 846 CG LEU A 55 1.816 1.474 -2.335 1.00 0.00 C ATOM 847 CD1 LEU A 55 1.329 2.887 -2.008 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.716 0.621 -2.971 1.00 0.00 C ATOM 0 H LEU A 55 5.254 0.996 -4.411 1.00 0.00 H new ATOM 0 HA LEU A 55 2.943 -0.569 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.931 1.677 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.984 2.379 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 55 2.085 1.000 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.443 2.829 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.115 3.430 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.082 3.410 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.158 0.609 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.442 1.043 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.080 -0.397 -3.110 1.00 0.00 H new ATOM 860 N GLU A 56 1.686 -0.718 -5.555 1.00 0.00 N ATOM 861 CA GLU A 56 0.890 -0.842 -6.765 1.00 0.00 C ATOM 862 C GLU A 56 -0.591 -0.626 -6.450 1.00 0.00 C ATOM 863 O GLU A 56 -1.142 -1.276 -5.562 1.00 0.00 O ATOM 864 CB GLU A 56 1.116 -2.200 -7.432 1.00 0.00 C ATOM 865 CG GLU A 56 2.265 -2.131 -8.441 1.00 0.00 C ATOM 866 CD GLU A 56 2.396 -3.446 -9.213 1.00 0.00 C ATOM 867 OE1 GLU A 56 2.639 -4.474 -8.545 1.00 0.00 O ATOM 868 OE2 GLU A 56 2.251 -3.393 -10.453 1.00 0.00 O ATOM 0 H GLU A 56 1.519 -1.444 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 56 1.208 -0.071 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.339 -2.950 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.203 -2.518 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.093 -1.311 -9.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.198 -1.916 -7.921 1.00 0.00 H new ATOM 875 N MET A 57 -1.194 0.290 -7.194 1.00 0.00 N ATOM 876 CA MET A 57 -2.601 0.600 -7.005 1.00 0.00 C ATOM 877 C MET A 57 -3.433 0.120 -8.196 1.00 0.00 C ATOM 878 O MET A 57 -3.001 0.228 -9.343 1.00 0.00 O ATOM 879 CB MET A 57 -2.772 2.111 -6.838 1.00 0.00 C ATOM 880 CG MET A 57 -4.251 2.485 -6.717 1.00 0.00 C ATOM 881 SD MET A 57 -4.417 4.242 -6.447 1.00 0.00 S ATOM 882 CE MET A 57 -4.043 4.844 -8.085 1.00 0.00 C ATOM 0 H MET A 57 -0.734 0.827 -7.929 1.00 0.00 H new ATOM 0 HA MET A 57 -2.951 0.085 -6.111 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.235 2.446 -5.951 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.331 2.627 -7.691 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.783 2.196 -7.624 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.707 1.937 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.278 5.618 -8.022 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.678 4.022 -8.700 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.945 5.261 -8.534 1.00 0.00 H new ATOM 892 N SER A 58 -4.610 -0.400 -7.883 1.00 0.00 N ATOM 893 CA SER A 58 -5.507 -0.897 -8.913 1.00 0.00 C ATOM 894 C SER A 58 -6.875 -0.224 -8.785 1.00 0.00 C ATOM 895 O SER A 58 -7.683 -0.608 -7.941 1.00 0.00 O ATOM 896 CB SER A 58 -5.653 -2.417 -8.830 1.00 0.00 C ATOM 897 OG SER A 58 -6.827 -2.878 -9.492 1.00 0.00 O ATOM 0 H SER A 58 -4.964 -0.488 -6.930 1.00 0.00 H new ATOM 0 HA SER A 58 -5.079 -0.653 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.777 -2.890 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.684 -2.722 -7.784 1.00 0.00 H new ATOM 0 HG SER A 58 -6.751 -2.702 -10.453 1.00 0.00 H new ATOM 903 N GLU A 59 -7.093 0.767 -9.636 1.00 0.00 N ATOM 904 CA GLU A 59 -8.350 1.497 -9.629 1.00 0.00 C ATOM 905 C GLU A 59 -9.491 0.594 -10.104 1.00 0.00 C ATOM 906 O GLU A 59 -9.370 -0.630 -10.080 1.00 0.00 O ATOM 907 CB GLU A 59 -8.256 2.760 -10.487 1.00 0.00 C ATOM 908 CG GLU A 59 -9.152 3.869 -9.931 1.00 0.00 C ATOM 909 CD GLU A 59 -9.801 4.669 -11.062 1.00 0.00 C ATOM 910 OE1 GLU A 59 -10.901 4.257 -11.490 1.00 0.00 O ATOM 911 OE2 GLU A 59 -9.182 5.674 -11.474 1.00 0.00 O ATOM 0 H GLU A 59 -6.421 1.082 -10.335 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.561 1.808 -8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.223 3.105 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.549 2.530 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.926 3.433 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.563 4.536 -9.301 1.00 0.00 H new ATOM 918 N ASN A 60 -10.572 1.233 -10.525 1.00 0.00 N ATOM 919 CA ASN A 60 -11.733 0.503 -11.006 1.00 0.00 C ATOM 920 C ASN A 60 -11.327 -0.364 -12.199 1.00 0.00 C ATOM 921 O ASN A 60 -11.257 0.121 -13.328 1.00 0.00 O ATOM 922 CB ASN A 60 -12.833 1.461 -11.469 1.00 0.00 C ATOM 923 CG ASN A 60 -13.934 1.583 -10.414 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.626 0.632 -10.090 1.00 0.00 O ATOM 925 ND2 ASN A 60 -14.057 2.803 -9.899 1.00 0.00 N ATOM 0 H ASN A 60 -10.669 2.248 -10.543 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.110 -0.109 -10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.405 2.443 -11.668 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.260 1.104 -12.406 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.764 2.987 -9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.444 3.554 -10.216 1.00 0.00 H new ATOM 932 N ASN A 61 -11.070 -1.631 -11.909 1.00 0.00 N ATOM 933 CA ASN A 61 -10.673 -2.570 -12.945 1.00 0.00 C ATOM 934 C ASN A 61 -9.408 -2.055 -13.636 1.00 0.00 C ATOM 935 O ASN A 61 -9.096 -2.466 -14.752 1.00 0.00 O ATOM 936 CB ASN A 61 -11.765 -2.714 -14.005 1.00 0.00 C ATOM 937 CG ASN A 61 -12.693 -3.887 -13.681 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.606 -4.509 -12.635 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.583 -4.152 -14.632 1.00 0.00 N ATOM 0 H ASN A 61 -11.129 -2.029 -10.972 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.498 -3.537 -12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.344 -1.793 -14.063 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.309 -2.866 -14.983 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.248 -4.916 -14.510 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.601 -3.591 -15.484 1.00 0.00 H new ATOM 946 N ALA A 62 -8.715 -1.164 -12.943 1.00 0.00 N ATOM 947 CA ALA A 62 -7.491 -0.589 -13.476 1.00 0.00 C ATOM 948 C ALA A 62 -6.324 -1.538 -13.198 1.00 0.00 C ATOM 949 O ALA A 62 -6.324 -2.252 -12.197 1.00 0.00 O ATOM 950 CB ALA A 62 -7.272 0.798 -12.869 1.00 0.00 C ATOM 0 H ALA A 62 -8.977 -0.826 -12.017 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.564 -0.464 -14.556 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.354 1.229 -13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.115 1.442 -13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.191 0.712 -11.785 1.00 0.00 H new ATOM 956 N PRO A 63 -5.330 -1.515 -14.127 1.00 0.00 N ATOM 957 CA PRO A 63 -4.159 -2.364 -13.991 1.00 0.00 C ATOM 958 C PRO A 63 -3.213 -1.827 -12.915 1.00 0.00 C ATOM 959 O PRO A 63 -3.045 -0.616 -12.780 1.00 0.00 O ATOM 960 CB PRO A 63 -3.531 -2.391 -15.375 1.00 0.00 C ATOM 961 CG PRO A 63 -4.102 -1.193 -16.116 1.00 0.00 C ATOM 962 CD PRO A 63 -5.296 -0.682 -15.325 1.00 0.00 C ATOM 0 HA PRO A 63 -4.407 -3.373 -13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.445 -2.330 -15.312 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.768 -3.320 -15.893 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.348 -0.412 -16.217 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.405 -1.476 -17.124 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.181 0.372 -15.071 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.219 -0.774 -15.898 1.00 0.00 H new ATOM 970 N TRP A 64 -2.621 -2.755 -12.177 1.00 0.00 N ATOM 971 CA TRP A 64 -1.697 -2.389 -11.117 1.00 0.00 C ATOM 972 C TRP A 64 -0.749 -1.320 -11.664 1.00 0.00 C ATOM 973 O TRP A 64 -0.028 -1.560 -12.631 1.00 0.00 O ATOM 974 CB TRP A 64 -0.963 -3.620 -10.581 1.00 0.00 C ATOM 975 CG TRP A 64 -1.861 -4.597 -9.820 1.00 0.00 C ATOM 976 CD1 TRP A 64 -2.094 -5.888 -10.093 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.641 -4.307 -8.640 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.964 -6.449 -9.180 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.307 -5.457 -8.269 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.779 -3.113 -7.912 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.157 -5.526 -7.158 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.632 -3.198 -6.805 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.310 -4.348 -6.417 1.00 0.00 C ATOM 0 H TRP A 64 -2.763 -3.758 -12.292 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.234 -1.975 -10.264 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.498 -4.145 -11.415 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.159 -3.293 -9.922 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.656 -6.422 -10.923 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.294 -7.414 -9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.267 -2.202 -8.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.667 -6.439 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.773 -2.307 -6.211 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.952 -4.333 -5.548 1.00 0.00 H new ATOM 994 N THR A 65 -0.781 -0.162 -11.022 1.00 0.00 N ATOM 995 CA THR A 65 0.066 0.945 -11.431 1.00 0.00 C ATOM 996 C THR A 65 1.002 1.351 -10.291 1.00 0.00 C ATOM 997 O THR A 65 0.553 1.872 -9.271 1.00 0.00 O ATOM 998 CB THR A 65 -0.840 2.083 -11.908 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.039 2.793 -12.849 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.121 3.108 -10.808 1.00 0.00 C ATOM 0 H THR A 65 -1.381 0.034 -10.221 1.00 0.00 H new ATOM 0 HA THR A 65 0.717 0.660 -12.258 1.00 0.00 H new ATOM 0 HB THR A 65 -1.782 1.670 -12.268 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.550 3.547 -13.210 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.768 3.893 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.614 2.616 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.182 3.546 -10.470 1.00 0.00 H new ATOM 1008 N VAL A 66 2.285 1.098 -10.503 1.00 0.00 N ATOM 1009 CA VAL A 66 3.288 1.430 -9.505 1.00 0.00 C ATOM 1010 C VAL A 66 3.170 2.912 -9.144 1.00 0.00 C ATOM 1011 O VAL A 66 3.430 3.780 -9.976 1.00 0.00 O ATOM 1012 CB VAL A 66 4.679 1.048 -10.015 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.758 1.423 -8.996 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.746 -0.440 -10.362 1.00 0.00 C ATOM 0 H VAL A 66 2.653 0.667 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 66 3.123 0.859 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 66 4.869 1.613 -10.927 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.737 1.141 -9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.734 2.498 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.572 0.897 -8.059 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.745 -0.685 -10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.525 -1.031 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.015 -0.666 -11.139 1.00 0.00 H new ATOM 1024 N LEU A 67 2.777 3.157 -7.903 1.00 0.00 N ATOM 1025 CA LEU A 67 2.621 4.519 -7.421 1.00 0.00 C ATOM 1026 C LEU A 67 3.964 5.024 -6.891 1.00 0.00 C ATOM 1027 O LEU A 67 4.537 5.966 -7.438 1.00 0.00 O ATOM 1028 CB LEU A 67 1.486 4.599 -6.398 1.00 0.00 C ATOM 1029 CG LEU A 67 0.292 3.675 -6.647 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -0.043 2.863 -5.394 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -0.915 4.465 -7.158 1.00 0.00 C ATOM 0 H LEU A 67 2.562 2.435 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 67 2.330 5.181 -8.237 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.895 4.374 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.124 5.627 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 67 0.566 2.965 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.895 2.215 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.817 2.255 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.290 3.541 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.750 3.785 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.200 5.213 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.656 4.961 -8.093 1.00 0.00 H new ATOM 1043 N LEU A 68 4.428 4.377 -5.832 1.00 0.00 N ATOM 1044 CA LEU A 68 5.693 4.749 -5.223 1.00 0.00 C ATOM 1045 C LEU A 68 6.737 3.673 -5.527 1.00 0.00 C ATOM 1046 O LEU A 68 6.655 2.560 -5.011 1.00 0.00 O ATOM 1047 CB LEU A 68 5.508 5.021 -3.728 1.00 0.00 C ATOM 1048 CG LEU A 68 6.000 6.380 -3.228 1.00 0.00 C ATOM 1049 CD1 LEU A 68 5.815 6.507 -1.714 1.00 0.00 C ATOM 1050 CD2 LEU A 68 7.450 6.628 -3.650 1.00 0.00 C ATOM 0 H LEU A 68 3.950 3.597 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 68 6.062 5.681 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.448 4.931 -3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.027 4.241 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 68 5.392 7.155 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.173 7.482 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.758 6.405 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.382 5.724 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.775 7.601 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.089 5.850 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.521 6.610 -4.738 1.00 0.00 H new ATOM 1062 N ALA A 69 7.695 4.044 -6.364 1.00 0.00 N ATOM 1063 CA ALA A 69 8.754 3.124 -6.744 1.00 0.00 C ATOM 1064 C ALA A 69 9.819 3.098 -5.645 1.00 0.00 C ATOM 1065 O ALA A 69 10.353 2.039 -5.319 1.00 0.00 O ATOM 1066 CB ALA A 69 9.327 3.537 -8.101 1.00 0.00 C ATOM 0 H ALA A 69 7.760 4.969 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 69 8.364 2.112 -6.850 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.121 2.847 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.538 3.512 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.731 4.547 -8.033 1.00 0.00 H new ATOM 1072 N SER A 70 10.095 4.276 -5.105 1.00 0.00 N ATOM 1073 CA SER A 70 11.086 4.401 -4.049 1.00 0.00 C ATOM 1074 C SER A 70 10.392 4.549 -2.694 1.00 0.00 C ATOM 1075 O SER A 70 9.945 5.638 -2.337 1.00 0.00 O ATOM 1076 CB SER A 70 12.014 5.591 -4.303 1.00 0.00 C ATOM 1077 OG SER A 70 12.172 6.402 -3.142 1.00 0.00 O ATOM 0 H SER A 70 9.650 5.152 -5.379 1.00 0.00 H new ATOM 0 HA SER A 70 11.693 3.496 -4.041 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.989 5.228 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.613 6.196 -5.116 1.00 0.00 H new ATOM 0 HG SER A 70 11.295 6.728 -2.849 1.00 0.00 H new ATOM 1083 N VAL A 71 10.323 3.438 -1.976 1.00 0.00 N ATOM 1084 CA VAL A 71 9.691 3.430 -0.668 1.00 0.00 C ATOM 1085 C VAL A 71 10.713 2.998 0.386 1.00 0.00 C ATOM 1086 O VAL A 71 11.640 2.247 0.085 1.00 0.00 O ATOM 1087 CB VAL A 71 8.446 2.540 -0.693 1.00 0.00 C ATOM 1088 CG1 VAL A 71 8.045 2.119 0.722 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.288 3.239 -1.407 1.00 0.00 C ATOM 0 H VAL A 71 10.695 2.537 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 71 9.353 4.432 -0.402 1.00 0.00 H new ATOM 0 HB VAL A 71 8.689 1.638 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.158 1.487 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.862 1.564 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.829 3.006 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.416 2.586 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.045 4.165 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.577 3.465 -2.433 1.00 0.00 H new ATOM 1099 N ASP A 72 10.509 3.490 1.599 1.00 0.00 N ATOM 1100 CA ASP A 72 11.402 3.165 2.698 1.00 0.00 C ATOM 1101 C ASP A 72 11.209 1.698 3.089 1.00 0.00 C ATOM 1102 O ASP A 72 10.084 1.200 3.108 1.00 0.00 O ATOM 1103 CB ASP A 72 11.099 4.025 3.927 1.00 0.00 C ATOM 1104 CG ASP A 72 12.203 5.011 4.314 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.885 5.492 3.384 1.00 0.00 O ATOM 1106 OD2 ASP A 72 12.340 5.260 5.531 1.00 0.00 O ATOM 0 H ASP A 72 9.738 4.111 1.845 1.00 0.00 H new ATOM 0 HA ASP A 72 12.424 3.353 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.181 4.584 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.907 3.367 4.774 1.00 0.00 H new ATOM 1111 N PRO A 73 12.352 1.030 3.399 1.00 0.00 N ATOM 1112 CA PRO A 73 12.320 -0.369 3.788 1.00 0.00 C ATOM 1113 C PRO A 73 11.798 -0.529 5.217 1.00 0.00 C ATOM 1114 O PRO A 73 11.220 -1.560 5.559 1.00 0.00 O ATOM 1115 CB PRO A 73 13.749 -0.858 3.619 1.00 0.00 C ATOM 1116 CG PRO A 73 14.616 0.391 3.590 1.00 0.00 C ATOM 1117 CD PRO A 73 13.702 1.588 3.387 1.00 0.00 C ATOM 0 HA PRO A 73 11.637 -0.959 3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.037 -1.514 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.859 -1.432 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.174 0.490 4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.348 0.329 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.833 2.325 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.914 2.092 2.444 1.00 0.00 H new ATOM 1125 N LYS A 74 12.021 0.506 6.013 1.00 0.00 N ATOM 1126 CA LYS A 74 11.580 0.494 7.398 1.00 0.00 C ATOM 1127 C LYS A 74 10.192 1.130 7.493 1.00 0.00 C ATOM 1128 O LYS A 74 9.751 1.507 8.578 1.00 0.00 O ATOM 1129 CB LYS A 74 12.624 1.157 8.298 1.00 0.00 C ATOM 1130 CG LYS A 74 13.641 0.133 8.806 1.00 0.00 C ATOM 1131 CD LYS A 74 15.052 0.724 8.825 1.00 0.00 C ATOM 1132 CE LYS A 74 15.144 1.890 9.811 1.00 0.00 C ATOM 1133 NZ LYS A 74 15.774 1.449 11.077 1.00 0.00 N ATOM 0 H LYS A 74 12.501 1.359 5.726 1.00 0.00 H new ATOM 0 HA LYS A 74 11.486 -0.530 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.139 1.943 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.129 1.634 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.365 -0.192 9.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.622 -0.751 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.770 -0.048 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.321 1.066 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.725 2.701 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.148 2.284 10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.829 2.252 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.204 0.691 11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.732 1.094 10.883 1.00 0.00 H new ATOM 1147 N ALA A 75 9.543 1.232 6.342 1.00 0.00 N ATOM 1148 CA ALA A 75 8.214 1.817 6.282 1.00 0.00 C ATOM 1149 C ALA A 75 7.178 0.703 6.119 1.00 0.00 C ATOM 1150 O ALA A 75 7.340 -0.182 5.280 1.00 0.00 O ATOM 1151 CB ALA A 75 8.157 2.838 5.144 1.00 0.00 C ATOM 0 H ALA A 75 9.913 0.920 5.444 1.00 0.00 H new ATOM 0 HA ALA A 75 7.985 2.347 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.160 3.277 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.892 3.623 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.378 2.342 4.199 1.00 0.00 H new ATOM 1157 N THR A 76 6.136 0.783 6.934 1.00 0.00 N ATOM 1158 CA THR A 76 5.074 -0.208 6.890 1.00 0.00 C ATOM 1159 C THR A 76 3.736 0.460 6.568 1.00 0.00 C ATOM 1160 O THR A 76 2.701 -0.204 6.526 1.00 0.00 O ATOM 1161 CB THR A 76 5.073 -0.959 8.223 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.415 0.037 9.183 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.210 -1.978 8.322 1.00 0.00 C ATOM 0 H THR A 76 6.005 1.519 7.628 1.00 0.00 H new ATOM 0 HA THR A 76 5.241 -0.932 6.093 1.00 0.00 H new ATOM 0 HB THR A 76 4.118 -1.468 8.352 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.435 -0.364 10.077 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.163 -2.483 9.287 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.111 -2.713 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.167 -1.465 8.227 1.00 0.00 H new ATOM 1171 N SER A 77 3.799 1.765 6.348 1.00 0.00 N ATOM 1172 CA SER A 77 2.605 2.529 6.030 1.00 0.00 C ATOM 1173 C SER A 77 2.948 3.650 5.046 1.00 0.00 C ATOM 1174 O SER A 77 4.034 4.223 5.107 1.00 0.00 O ATOM 1175 CB SER A 77 1.970 3.109 7.295 1.00 0.00 C ATOM 1176 OG SER A 77 2.944 3.665 8.175 1.00 0.00 O ATOM 0 H SER A 77 4.659 2.313 6.384 1.00 0.00 H new ATOM 0 HA SER A 77 1.882 1.857 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.250 3.879 7.019 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.417 2.327 7.814 1.00 0.00 H new ATOM 0 HG SER A 77 2.499 4.026 8.970 1.00 0.00 H new ATOM 1182 N VAL A 78 2.000 3.928 4.163 1.00 0.00 N ATOM 1183 CA VAL A 78 2.188 4.969 3.167 1.00 0.00 C ATOM 1184 C VAL A 78 0.851 5.665 2.905 1.00 0.00 C ATOM 1185 O VAL A 78 -0.210 5.091 3.147 1.00 0.00 O ATOM 1186 CB VAL A 78 2.812 4.377 1.901 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.814 3.479 1.167 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.336 5.481 0.981 1.00 0.00 C ATOM 0 H VAL A 78 1.100 3.451 4.117 1.00 0.00 H new ATOM 0 HA VAL A 78 2.883 5.725 3.532 1.00 0.00 H new ATOM 0 HB VAL A 78 3.660 3.761 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.282 3.071 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.510 2.662 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.938 4.063 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.774 5.034 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.513 6.135 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.094 6.062 1.505 1.00 0.00 H new ATOM 1198 N THR A 79 0.945 6.892 2.414 1.00 0.00 N ATOM 1199 CA THR A 79 -0.244 7.673 2.117 1.00 0.00 C ATOM 1200 C THR A 79 -0.413 7.832 0.605 1.00 0.00 C ATOM 1201 O THR A 79 0.553 8.100 -0.107 1.00 0.00 O ATOM 1202 CB THR A 79 -0.132 9.006 2.859 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.016 8.632 4.229 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.427 9.819 2.803 1.00 0.00 C ATOM 0 H THR A 79 1.826 7.365 2.214 1.00 0.00 H new ATOM 0 HA THR A 79 -1.146 7.167 2.462 1.00 0.00 H new ATOM 0 HB THR A 79 0.682 9.591 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.063 9.437 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.293 10.755 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.677 10.034 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.235 9.248 3.260 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.649 7.660 0.159 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.958 7.780 -1.256 1.00 0.00 C ATOM 1214 C VAL A 80 -2.794 9.041 -1.485 1.00 0.00 C ATOM 1215 O VAL A 80 -4.000 9.043 -1.245 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.647 6.508 -1.751 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -3.006 6.620 -3.234 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.779 5.276 -1.489 1.00 0.00 C ATOM 0 H VAL A 80 -2.448 7.438 0.753 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.043 7.885 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.574 6.390 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.495 5.702 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.681 7.463 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.098 6.775 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.293 4.385 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.828 5.383 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.597 5.180 -0.419 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.119 10.084 -1.947 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.784 11.348 -2.212 1.00 0.00 C ATOM 1230 C LYS A 81 -3.117 11.443 -3.702 1.00 0.00 C ATOM 1231 O LYS A 81 -2.420 10.864 -4.535 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.942 12.516 -1.694 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.405 12.225 -0.291 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.112 12.999 -0.027 1.00 0.00 C ATOM 1235 CE LYS A 81 0.760 12.274 1.000 1.00 0.00 C ATOM 1236 NZ LYS A 81 0.657 12.931 2.323 1.00 0.00 N ATOM 0 H LYS A 81 -1.118 10.079 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.728 11.401 -1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.111 12.700 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.545 13.424 -1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.154 12.497 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.222 11.156 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.441 13.119 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.350 14.000 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.449 11.232 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.798 12.272 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.255 12.427 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.975 13.918 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.332 12.910 2.645 1.00 0.00 H new ATOM 1250 N GLY A 82 -4.181 12.176 -3.993 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.614 12.354 -5.368 1.00 0.00 C ATOM 1252 C GLY A 82 -5.449 11.161 -5.839 1.00 0.00 C ATOM 1253 O GLY A 82 -5.008 10.385 -6.685 1.00 0.00 O ATOM 0 H GLY A 82 -4.756 12.654 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.200 13.269 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.744 12.472 -6.015 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.641 11.053 -5.269 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.542 9.968 -5.620 1.00 0.00 C ATOM 1259 C LEU A 83 -8.840 10.550 -6.182 1.00 0.00 C ATOM 1260 O LEU A 83 -9.173 11.704 -5.916 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.752 9.039 -4.423 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.531 8.231 -3.978 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.917 7.186 -2.930 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.820 7.604 -5.179 1.00 0.00 C ATOM 0 H LEU A 83 -7.003 11.699 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.105 9.348 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.094 9.638 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.555 8.343 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.824 8.913 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.031 6.626 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.342 7.684 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.653 6.502 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.956 7.036 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.507 6.939 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.490 8.390 -5.858 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.538 9.726 -6.949 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.792 10.144 -7.550 1.00 0.00 C ATOM 1278 C VAL A 84 -11.934 9.897 -6.563 1.00 0.00 C ATOM 1279 O VAL A 84 -11.989 8.849 -5.922 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.994 9.431 -8.889 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.440 9.569 -9.370 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -10.014 9.952 -9.941 1.00 0.00 C ATOM 0 H VAL A 84 -9.258 8.770 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.774 11.212 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.790 8.371 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.557 9.054 -10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.112 9.128 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.682 10.624 -9.496 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.179 9.429 -10.883 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.171 11.021 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.992 9.779 -9.604 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.841 10.906 -6.468 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.979 10.808 -5.570 1.00 0.00 C ATOM 1294 C PRO A 85 -15.041 9.860 -6.130 1.00 0.00 C ATOM 1295 O PRO A 85 -15.309 9.863 -7.331 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.480 12.234 -5.413 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.902 13.011 -6.585 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.808 12.162 -7.212 1.00 0.00 C ATOM 0 HA PRO A 85 -13.714 10.383 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.569 12.268 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.155 12.660 -4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.679 13.233 -7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.499 13.966 -6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.993 11.998 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.835 12.646 -7.129 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.615 9.070 -5.235 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.642 8.119 -5.625 1.00 0.00 C ATOM 1308 C ALA A 86 -16.035 7.081 -6.572 1.00 0.00 C ATOM 1309 O ALA A 86 -16.600 6.792 -7.625 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.818 8.866 -6.256 1.00 0.00 C ATOM 0 H ALA A 86 -15.388 9.069 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.024 7.588 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.588 8.152 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.231 9.570 -5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.474 9.409 -7.136 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.893 6.549 -6.162 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.204 5.550 -6.961 1.00 0.00 C ATOM 1318 C ARG A 87 -13.465 4.563 -6.055 1.00 0.00 C ATOM 1319 O ARG A 87 -12.991 4.935 -4.982 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.203 6.203 -7.916 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.863 6.546 -9.253 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.835 6.560 -10.385 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.396 7.247 -11.570 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.759 7.360 -12.744 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -11.537 6.833 -12.897 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -13.345 8.001 -13.764 1.00 0.00 N ATOM 0 H ARG A 87 -14.428 6.791 -5.287 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.954 5.019 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.800 7.109 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.363 5.529 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.643 5.818 -9.475 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.347 7.520 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.927 7.066 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.554 5.539 -10.645 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.325 7.660 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.091 6.345 -12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.053 6.919 -13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.275 8.403 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.861 8.087 -14.658 1.00 0.00 H new ATOM 1340 N SER A 88 -13.390 3.325 -6.519 1.00 0.00 N ATOM 1341 CA SER A 88 -12.717 2.282 -5.764 1.00 0.00 C ATOM 1342 C SER A 88 -11.210 2.334 -6.027 1.00 0.00 C ATOM 1343 O SER A 88 -10.780 2.715 -7.115 1.00 0.00 O ATOM 1344 CB SER A 88 -13.270 0.900 -6.118 1.00 0.00 C ATOM 1345 OG SER A 88 -12.324 -0.135 -5.864 1.00 0.00 O ATOM 0 H SER A 88 -13.784 3.020 -7.409 1.00 0.00 H new ATOM 0 HA SER A 88 -12.901 2.456 -4.704 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.175 0.713 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.554 0.882 -7.170 1.00 0.00 H new ATOM 0 HG SER A 88 -12.716 -1.001 -6.101 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.451 1.946 -5.013 1.00 0.00 N ATOM 1352 CA TYR A 89 -9.002 1.944 -5.122 1.00 0.00 C ATOM 1353 C TYR A 89 -8.395 0.779 -4.338 1.00 0.00 C ATOM 1354 O TYR A 89 -8.664 0.619 -3.149 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.530 3.261 -4.501 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.531 4.442 -5.473 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.634 4.473 -6.522 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.427 5.477 -5.301 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.634 5.585 -7.437 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.427 6.589 -6.216 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.531 6.588 -7.239 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.531 7.639 -8.103 1.00 0.00 O ATOM 0 H TYR A 89 -10.812 1.631 -4.112 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.696 1.839 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.171 3.501 -3.653 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.521 3.126 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.932 3.663 -6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.128 5.453 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.938 5.622 -8.262 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.123 7.406 -6.093 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.867 7.345 -8.976 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.587 -0.005 -5.037 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.940 -1.151 -4.421 1.00 0.00 C ATOM 1374 C GLN A 90 -5.423 -0.953 -4.394 1.00 0.00 C ATOM 1375 O GLN A 90 -4.833 -0.515 -5.380 1.00 0.00 O ATOM 1376 CB GLN A 90 -7.310 -2.446 -5.148 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.606 -3.037 -4.589 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.828 -4.459 -5.106 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -8.347 -4.847 -6.158 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.582 -5.213 -4.311 1.00 0.00 N ATOM 0 H GLN A 90 -7.366 0.131 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.295 -1.235 -3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -7.426 -2.249 -6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.501 -3.170 -5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.566 -3.044 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.449 -2.407 -4.873 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.954 -4.826 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.788 -6.178 -4.569 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.835 -1.284 -3.253 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.399 -1.147 -3.084 1.00 0.00 C ATOM 1391 C PHE A 91 -2.751 -2.501 -2.783 1.00 0.00 C ATOM 1392 O PHE A 91 -3.426 -3.432 -2.346 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.175 -0.212 -1.895 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.741 1.196 -2.095 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.144 2.050 -2.969 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.840 1.592 -1.399 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.669 3.356 -3.154 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.365 2.898 -1.585 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.768 3.753 -2.458 1.00 0.00 C ATOM 0 H PHE A 91 -5.328 -1.647 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.953 -0.756 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.630 -0.653 -1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.105 -0.138 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.271 1.735 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.313 0.913 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.195 4.035 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.238 3.212 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.166 4.747 -2.599 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.451 -2.566 -3.027 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.705 -3.789 -2.788 1.00 0.00 C ATOM 1411 C ARG A 92 0.777 -3.578 -3.105 1.00 0.00 C ATOM 1412 O ARG A 92 1.139 -3.312 -4.250 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.243 -4.939 -3.641 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.204 -4.583 -5.129 1.00 0.00 C ATOM 1415 CD ARG A 92 -0.409 -5.623 -5.921 1.00 0.00 C ATOM 1416 NE ARG A 92 -1.330 -6.618 -6.516 1.00 0.00 N ATOM 1417 CZ ARG A 92 -0.938 -7.622 -7.311 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.359 -7.772 -7.612 1.00 0.00 N ATOM 1419 NH2 ARG A 92 -1.844 -8.478 -7.805 1.00 0.00 N ATOM 0 H ARG A 92 -0.895 -1.791 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.822 -4.047 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.651 -5.837 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.267 -5.168 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.220 -4.523 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.754 -3.599 -5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.166 -5.132 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.306 -6.122 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.325 -6.534 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 92 1.048 -7.121 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.657 -8.537 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.831 -8.364 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.546 -9.243 -8.411 1.00 0.00 H new ATOM 1433 N LEU A 93 1.595 -3.705 -2.070 1.00 0.00 N ATOM 1434 CA LEU A 93 3.029 -3.531 -2.224 1.00 0.00 C ATOM 1435 C LEU A 93 3.735 -4.852 -1.908 1.00 0.00 C ATOM 1436 O LEU A 93 3.132 -5.763 -1.345 1.00 0.00 O ATOM 1437 CB LEU A 93 3.520 -2.354 -1.379 1.00 0.00 C ATOM 1438 CG LEU A 93 3.365 -2.505 0.136 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.426 -1.691 0.880 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.947 -2.140 0.580 1.00 0.00 C ATOM 0 H LEU A 93 1.292 -3.926 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 93 3.273 -3.277 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.574 -2.187 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.983 -1.459 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 93 3.524 -3.552 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.293 -1.816 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.418 -2.039 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.323 -0.637 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.863 -2.256 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.735 -1.106 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.231 -2.798 0.088 1.00 0.00 H new ATOM 1452 N CYS A 94 5.004 -4.912 -2.285 1.00 0.00 N ATOM 1453 CA CYS A 94 5.799 -6.106 -2.049 1.00 0.00 C ATOM 1454 C CYS A 94 7.097 -5.689 -1.355 1.00 0.00 C ATOM 1455 O CYS A 94 7.352 -4.500 -1.169 1.00 0.00 O ATOM 1456 CB CYS A 94 6.065 -6.873 -3.346 1.00 0.00 C ATOM 1457 SG CYS A 94 6.872 -5.776 -4.568 1.00 0.00 S ATOM 0 H CYS A 94 5.501 -4.154 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 94 5.249 -6.792 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.700 -7.736 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.128 -7.255 -3.751 1.00 0.00 H new ATOM 0 HG CYS A 94 6.143 -5.713 -5.642 1.00 0.00 H new ATOM 1463 N ALA A 95 7.884 -6.691 -0.992 1.00 0.00 N ATOM 1464 CA ALA A 95 9.150 -6.443 -0.323 1.00 0.00 C ATOM 1465 C ALA A 95 10.284 -6.508 -1.347 1.00 0.00 C ATOM 1466 O ALA A 95 10.379 -7.465 -2.114 1.00 0.00 O ATOM 1467 CB ALA A 95 9.332 -7.451 0.814 1.00 0.00 C ATOM 0 H ALA A 95 7.670 -7.676 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 95 9.162 -5.447 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.281 -7.266 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.516 -7.344 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.328 -8.462 0.408 1.00 0.00 H new ATOM 1473 N VAL A 96 11.117 -5.478 -1.327 1.00 0.00 N ATOM 1474 CA VAL A 96 12.241 -5.406 -2.244 1.00 0.00 C ATOM 1475 C VAL A 96 13.527 -5.165 -1.450 1.00 0.00 C ATOM 1476 O VAL A 96 13.653 -4.157 -0.757 1.00 0.00 O ATOM 1477 CB VAL A 96 11.984 -4.333 -3.305 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.231 -4.094 -4.157 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.785 -4.704 -4.179 1.00 0.00 C ATOM 0 H VAL A 96 11.036 -4.686 -0.689 1.00 0.00 H new ATOM 0 HA VAL A 96 12.359 -6.349 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 96 11.748 -3.402 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.021 -3.327 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.050 -3.764 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.512 -5.020 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.624 -3.926 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.980 -5.652 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.896 -4.799 -3.556 1.00 0.00 H new ATOM 1489 N ASN A 97 14.449 -6.108 -1.578 1.00 0.00 N ATOM 1490 CA ASN A 97 15.720 -6.011 -0.881 1.00 0.00 C ATOM 1491 C ASN A 97 16.857 -6.318 -1.858 1.00 0.00 C ATOM 1492 O ASN A 97 16.612 -6.734 -2.990 1.00 0.00 O ATOM 1493 CB ASN A 97 15.798 -7.020 0.266 1.00 0.00 C ATOM 1494 CG ASN A 97 15.560 -8.444 -0.239 1.00 0.00 C ATOM 1495 OD1 ASN A 97 15.256 -8.677 -1.397 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.714 -9.381 0.693 1.00 0.00 N ATOM 0 H ASN A 97 14.341 -6.943 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 97 15.808 -5.001 -0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.776 -6.958 0.743 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.057 -6.771 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.576 -10.364 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.970 -9.117 1.644 1.00 0.00 H new ATOM 1503 N ASP A 98 18.076 -6.102 -1.385 1.00 0.00 N ATOM 1504 CA ASP A 98 19.251 -6.350 -2.203 1.00 0.00 C ATOM 1505 C ASP A 98 19.033 -7.620 -3.028 1.00 0.00 C ATOM 1506 O ASP A 98 19.387 -7.668 -4.205 1.00 0.00 O ATOM 1507 CB ASP A 98 20.493 -6.558 -1.334 1.00 0.00 C ATOM 1508 CG ASP A 98 21.821 -6.559 -2.093 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.816 -6.075 -3.246 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.811 -7.044 -1.505 1.00 0.00 O ATOM 0 H ASP A 98 18.275 -5.758 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 98 19.403 -5.484 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.525 -5.773 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.393 -7.506 -0.805 1.00 0.00 H new ATOM 1515 N VAL A 99 18.453 -8.618 -2.378 1.00 0.00 N ATOM 1516 CA VAL A 99 18.184 -9.885 -3.036 1.00 0.00 C ATOM 1517 C VAL A 99 17.400 -9.629 -4.325 1.00 0.00 C ATOM 1518 O VAL A 99 17.897 -9.889 -5.420 1.00 0.00 O ATOM 1519 CB VAL A 99 17.462 -10.832 -2.075 1.00 0.00 C ATOM 1520 CG1 VAL A 99 17.323 -12.229 -2.683 1.00 0.00 C ATOM 1521 CG2 VAL A 99 18.176 -10.890 -0.723 1.00 0.00 C ATOM 0 H VAL A 99 18.162 -8.575 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 99 19.117 -10.376 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 99 16.459 -10.439 -1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.807 -12.882 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.751 -12.168 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.313 -12.634 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 99 17.643 -11.570 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 99 19.196 -11.247 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 99 18.199 -9.894 -0.281 1.00 0.00 H new ATOM 1531 N GLY A 100 16.189 -9.122 -4.152 1.00 0.00 N ATOM 1532 CA GLY A 100 15.331 -8.827 -5.288 1.00 0.00 C ATOM 1533 C GLY A 100 13.870 -8.697 -4.852 1.00 0.00 C ATOM 1534 O GLY A 100 13.558 -8.820 -3.669 1.00 0.00 O ATOM 0 H GLY A 100 15.781 -8.908 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.656 -7.902 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.423 -9.617 -6.033 1.00 0.00 H new ATOM 1538 N LYS A 101 13.014 -8.450 -5.833 1.00 0.00 N ATOM 1539 CA LYS A 101 11.593 -8.302 -5.566 1.00 0.00 C ATOM 1540 C LYS A 101 11.010 -9.658 -5.164 1.00 0.00 C ATOM 1541 O LYS A 101 11.345 -10.682 -5.757 1.00 0.00 O ATOM 1542 CB LYS A 101 10.888 -7.659 -6.762 1.00 0.00 C ATOM 1543 CG LYS A 101 9.507 -7.132 -6.365 1.00 0.00 C ATOM 1544 CD LYS A 101 9.272 -5.730 -6.931 1.00 0.00 C ATOM 1545 CE LYS A 101 9.529 -5.698 -8.439 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.978 -6.910 -9.085 1.00 0.00 N ATOM 0 H LYS A 101 13.277 -8.349 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 101 11.431 -7.624 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.495 -6.842 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.786 -8.390 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.736 -7.810 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.421 -7.109 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.248 -5.418 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 101 9.928 -5.017 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.073 -4.808 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.600 -5.632 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.692 -6.685 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.703 -7.655 -9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.151 -7.243 -8.550 1.00 0.00 H new ATOM 1560 N GLY A 102 10.148 -9.621 -4.158 1.00 0.00 N ATOM 1561 CA GLY A 102 9.515 -10.834 -3.670 1.00 0.00 C ATOM 1562 C GLY A 102 8.082 -10.953 -4.191 1.00 0.00 C ATOM 1563 O GLY A 102 7.866 -11.134 -5.389 1.00 0.00 O ATOM 0 H GLY A 102 9.873 -8.770 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.094 -11.702 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.510 -10.833 -2.580 1.00 0.00 H new ATOM 1567 N GLN A 103 7.139 -10.847 -3.267 1.00 0.00 N ATOM 1568 CA GLN A 103 5.732 -10.940 -3.618 1.00 0.00 C ATOM 1569 C GLN A 103 4.956 -9.767 -3.016 1.00 0.00 C ATOM 1570 O GLN A 103 5.411 -9.144 -2.058 1.00 0.00 O ATOM 1571 CB GLN A 103 5.142 -12.278 -3.166 1.00 0.00 C ATOM 1572 CG GLN A 103 5.525 -12.585 -1.717 1.00 0.00 C ATOM 1573 CD GLN A 103 4.455 -13.441 -1.037 1.00 0.00 C ATOM 1574 OE1 GLN A 103 3.284 -13.405 -1.379 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.920 -14.211 -0.057 1.00 0.00 N ATOM 0 H GLN A 103 7.322 -10.697 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 103 5.644 -10.889 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.056 -12.251 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.500 -13.076 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.482 -13.106 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.655 -11.653 -1.166 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.912 -14.193 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.284 -14.819 0.459 1.00 0.00 H new ATOM 1584 N PHE A 104 3.798 -9.502 -3.603 1.00 0.00 N ATOM 1585 CA PHE A 104 2.955 -8.415 -3.136 1.00 0.00 C ATOM 1586 C PHE A 104 1.847 -8.935 -2.218 1.00 0.00 C ATOM 1587 O PHE A 104 1.473 -10.105 -2.292 1.00 0.00 O ATOM 1588 CB PHE A 104 2.318 -7.780 -4.374 1.00 0.00 C ATOM 1589 CG PHE A 104 3.318 -7.084 -5.301 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.183 -7.823 -6.045 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.341 -5.726 -5.379 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.111 -7.177 -6.905 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.268 -5.081 -6.239 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.134 -5.820 -6.984 1.00 0.00 C ATOM 0 H PHE A 104 3.424 -10.021 -4.397 1.00 0.00 H new ATOM 0 HA PHE A 104 3.551 -7.698 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.793 -8.552 -4.937 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.570 -7.055 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.165 -8.901 -5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.654 -5.139 -4.787 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.798 -7.764 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.286 -4.003 -6.302 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.839 -5.329 -7.638 1.00 0.00 H new ATOM 1604 N SER A 105 1.353 -8.041 -1.374 1.00 0.00 N ATOM 1605 CA SER A 105 0.295 -8.395 -0.443 1.00 0.00 C ATOM 1606 C SER A 105 -1.054 -8.412 -1.164 1.00 0.00 C ATOM 1607 O SER A 105 -1.210 -7.782 -2.210 1.00 0.00 O ATOM 1608 CB SER A 105 0.254 -7.424 0.738 1.00 0.00 C ATOM 1609 OG SER A 105 0.522 -6.083 0.337 1.00 0.00 O ATOM 0 H SER A 105 1.666 -7.072 -1.315 1.00 0.00 H new ATOM 0 HA SER A 105 0.502 -9.391 -0.053 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.726 -7.471 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.985 -7.732 1.486 1.00 0.00 H new ATOM 0 HG SER A 105 0.182 -5.464 1.017 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.994 -9.138 -0.578 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.324 -9.245 -1.152 1.00 0.00 C ATOM 1617 C LYS A 106 -3.952 -7.852 -1.234 1.00 0.00 C ATOM 1618 O LYS A 106 -3.512 -6.927 -0.553 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.166 -10.254 -0.368 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.014 -11.662 -0.946 1.00 0.00 C ATOM 1621 CD LYS A 106 -2.561 -12.134 -0.864 1.00 0.00 C ATOM 1622 CE LYS A 106 -2.186 -12.506 0.572 1.00 0.00 C ATOM 1623 NZ LYS A 106 -1.129 -13.543 0.580 1.00 0.00 N ATOM 0 H LYS A 106 -1.861 -9.658 0.289 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.270 -9.632 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.861 -10.252 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.214 -9.957 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.656 -12.354 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.345 -11.670 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -2.417 -12.996 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.898 -11.347 -1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.839 -11.620 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.066 -12.871 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.886 -13.784 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.473 -14.393 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.284 -13.181 0.093 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.971 -7.746 -2.075 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.664 -6.482 -2.255 1.00 0.00 C ATOM 1639 C ASP A 107 -6.373 -6.103 -0.953 1.00 0.00 C ATOM 1640 O ASP A 107 -7.326 -6.766 -0.545 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.722 -6.586 -3.356 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.580 -7.851 -3.311 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.052 -8.910 -3.716 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.745 -7.732 -2.872 1.00 0.00 O ATOM 0 H ASP A 107 -5.333 -8.515 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.926 -5.730 -2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.378 -5.718 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.223 -6.538 -4.324 1.00 0.00 H new ATOM 1649 N THR A 108 -5.881 -5.039 -0.336 1.00 0.00 N ATOM 1650 CA THR A 108 -6.455 -4.564 0.911 1.00 0.00 C ATOM 1651 C THR A 108 -7.971 -4.409 0.775 1.00 0.00 C ATOM 1652 O THR A 108 -8.536 -4.694 -0.280 1.00 0.00 O ATOM 1653 CB THR A 108 -5.743 -3.265 1.295 1.00 0.00 C ATOM 1654 OG1 THR A 108 -6.109 -2.351 0.265 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.222 -3.373 1.175 1.00 0.00 C ATOM 0 H THR A 108 -5.090 -4.492 -0.677 1.00 0.00 H new ATOM 0 HA THR A 108 -6.304 -5.284 1.715 1.00 0.00 H new ATOM 0 HB THR A 108 -6.008 -2.995 2.317 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.389 -1.698 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.766 -2.424 1.459 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.860 -4.161 1.835 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.954 -3.610 0.145 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.587 -3.958 1.858 1.00 0.00 N ATOM 1664 CA GLU A 109 -10.027 -3.762 1.873 1.00 0.00 C ATOM 1665 C GLU A 109 -10.427 -2.692 0.855 1.00 0.00 C ATOM 1666 O GLU A 109 -9.980 -1.550 0.942 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.515 -3.394 3.276 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.572 -2.290 3.216 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.347 -2.201 4.533 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.679 -2.009 5.572 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.589 -2.326 4.470 1.00 0.00 O ATOM 0 H GLU A 109 -8.115 -3.723 2.731 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.505 -4.700 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.932 -4.276 3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.672 -3.063 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.093 -1.334 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.263 -2.487 2.396 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.266 -3.101 -0.086 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.732 -2.192 -1.119 1.00 0.00 C ATOM 1680 C ARG A 110 -11.929 -0.789 -0.542 1.00 0.00 C ATOM 1681 O ARG A 110 -12.966 -0.499 0.052 1.00 0.00 O ATOM 1682 CB ARG A 110 -13.050 -2.677 -1.725 1.00 0.00 C ATOM 1683 CG ARG A 110 -13.225 -2.148 -3.150 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.693 -2.202 -3.578 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.800 -2.739 -4.954 1.00 0.00 N ATOM 1686 CZ ARG A 110 -15.958 -3.051 -5.550 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -17.116 -2.883 -4.897 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -15.959 -3.532 -6.801 1.00 0.00 N ATOM 0 H ARG A 110 -11.635 -4.050 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.974 -2.163 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.072 -3.767 -1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.883 -2.346 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.863 -1.121 -3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.620 -2.738 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.258 -2.829 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -15.130 -1.205 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 110 -13.938 -2.880 -5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -17.116 -2.517 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -17.997 -3.121 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -15.078 -3.660 -7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -16.841 -3.770 -7.255 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.918 0.044 -0.738 1.00 0.00 N ATOM 1703 CA VAL A 111 -10.967 1.410 -0.244 1.00 0.00 C ATOM 1704 C VAL A 111 -11.626 2.304 -1.297 1.00 0.00 C ATOM 1705 O VAL A 111 -11.031 2.589 -2.335 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.563 1.878 0.143 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.615 3.216 0.882 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.843 0.817 0.979 1.00 0.00 C ATOM 0 H VAL A 111 -10.060 -0.200 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.574 1.468 0.659 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.994 2.025 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.604 3.526 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.069 3.970 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.209 3.108 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.847 1.174 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.411 0.624 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.758 -0.104 0.403 1.00 0.00 H new ATOM 1718 N SER A 112 -12.845 2.722 -0.992 1.00 0.00 N ATOM 1719 CA SER A 112 -13.591 3.579 -1.898 1.00 0.00 C ATOM 1720 C SER A 112 -13.406 5.045 -1.504 1.00 0.00 C ATOM 1721 O SER A 112 -13.382 5.375 -0.320 1.00 0.00 O ATOM 1722 CB SER A 112 -15.077 3.214 -1.903 1.00 0.00 C ATOM 1723 OG SER A 112 -15.367 2.166 -2.824 1.00 0.00 O ATOM 0 H SER A 112 -13.335 2.483 -0.130 1.00 0.00 H new ATOM 0 HA SER A 112 -13.204 3.429 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.379 2.909 -0.901 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.666 4.095 -2.159 1.00 0.00 H new ATOM 0 HG SER A 112 -16.325 1.961 -2.796 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.281 5.886 -2.520 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.098 7.310 -2.295 1.00 0.00 C ATOM 1731 C LEU A 113 -14.426 7.926 -1.850 1.00 0.00 C ATOM 1732 O LEU A 113 -15.494 7.442 -2.222 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.496 7.976 -3.534 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.081 8.535 -3.374 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -11.107 10.057 -3.217 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -10.349 7.852 -2.217 1.00 0.00 C ATOM 0 H LEU A 113 -13.303 5.609 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.382 7.479 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.488 7.248 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.154 8.789 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.522 8.315 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.088 10.429 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.562 10.506 -4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.689 10.322 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.346 8.268 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.897 8.019 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -10.282 6.781 -2.410 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.313 9.011 -1.038 1.00 0.00 N ATOM 1749 CA PRO A 114 -15.492 9.698 -0.539 1.00 0.00 C ATOM 1750 C PRO A 114 -16.142 10.543 -1.637 1.00 0.00 C ATOM 1751 O PRO A 114 -15.518 11.459 -2.171 1.00 0.00 O ATOM 1752 CB PRO A 114 -14.997 10.528 0.634 1.00 0.00 C ATOM 1753 CG PRO A 114 -13.491 10.638 0.460 1.00 0.00 C ATOM 1754 CD PRO A 114 -13.065 9.612 -0.577 1.00 0.00 C ATOM 0 HA PRO A 114 -16.276 9.010 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -15.463 11.514 0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -15.247 10.052 1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -13.216 11.643 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -12.983 10.457 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -12.524 10.081 -1.399 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -12.401 8.864 -0.144 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.386 10.205 -1.941 1.00 0.00 N ATOM 1763 CA GLU A 115 -18.126 10.921 -2.966 1.00 0.00 C ATOM 1764 C GLU A 115 -18.170 12.416 -2.643 1.00 0.00 C ATOM 1765 O GLU A 115 -19.061 12.875 -1.930 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.538 10.352 -3.121 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.996 10.410 -4.580 1.00 0.00 C ATOM 1768 CD GLU A 115 -21.465 10.828 -4.677 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -22.312 10.035 -4.212 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.707 11.930 -5.215 1.00 0.00 O ATOM 0 H GLU A 115 -17.900 9.445 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.610 10.790 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.558 9.320 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.231 10.915 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.376 11.116 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.860 9.434 -5.047 1.00 0.00 H new