USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= -1.93! K(o=-1.9!,f=0) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc=-0.00697 USER MOD Set 1.3: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 THR OG1 : rot -165:sc= 0.0186 USER MOD Set 2.2: A 66 CYS SG : rot 25:sc= 0.251 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 120:sc= -0.658 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 25 MET CE :methyl -113:sc= -0.0556 (180deg=-0.355) USER MOD Single : A 27 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.18) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.22) USER MOD Single : A 45 SER OG : rot 180:sc= 0.142 USER MOD Single : A 52 SER OG : rot 137:sc= -0.599 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 150:sc= -0.075 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 70 TYR OH : rot 58:sc= -4.72! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 0:sc= 0.976 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 162:sc= -0.0346 (180deg=-0.254) USER MOD Single : A 88 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-0.85) USER MOD Single : A 92 SER OG : rot -106:sc= -0.303 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -1.07 (180deg=-2.22!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.374 USER MOD ----------------------------------------------------------------- ATOM 178 N SER A 15 -5.281 -7.557 5.640 1.00 0.00 N ATOM 179 CA SER A 15 -5.786 -6.189 5.662 1.00 0.00 C ATOM 180 C SER A 15 -4.650 -5.193 5.874 1.00 0.00 C ATOM 181 O SER A 15 -3.710 -5.458 6.622 1.00 0.00 O ATOM 182 CB SER A 15 -6.833 -6.028 6.766 1.00 0.00 C ATOM 183 OG SER A 15 -7.743 -4.987 6.458 1.00 0.00 O ATOM 0 HA SER A 15 -6.250 -5.984 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.377 -6.964 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.338 -5.814 7.713 1.00 0.00 H new ATOM 0 HG SER A 15 -8.403 -4.906 7.178 1.00 0.00 H new ATOM 189 N ALA A 16 -4.746 -4.047 5.208 1.00 0.00 N ATOM 190 CA ALA A 16 -3.728 -3.010 5.324 1.00 0.00 C ATOM 191 C ALA A 16 -4.197 -1.879 6.233 1.00 0.00 C ATOM 192 O ALA A 16 -5.364 -1.487 6.202 1.00 0.00 O ATOM 193 CB ALA A 16 -3.368 -2.468 3.949 1.00 0.00 C ATOM 0 H ALA A 16 -5.518 -3.813 4.583 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.840 -3.456 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.607 -1.694 4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.983 -3.277 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.256 -2.044 3.481 1.00 0.00 H new ATOM 199 N TYR A 17 -3.282 -1.359 7.044 1.00 0.00 N ATOM 200 CA TYR A 17 -3.603 -0.276 7.965 1.00 0.00 C ATOM 201 C TYR A 17 -2.388 0.617 8.201 1.00 0.00 C ATOM 202 O TYR A 17 -1.327 0.146 8.609 1.00 0.00 O ATOM 203 CB TYR A 17 -4.101 -0.841 9.296 1.00 0.00 C ATOM 204 CG TYR A 17 -2.996 -1.378 10.177 1.00 0.00 C ATOM 205 CD1 TYR A 17 -2.591 -2.704 10.086 1.00 0.00 C ATOM 206 CD2 TYR A 17 -2.356 -0.560 11.099 1.00 0.00 C ATOM 207 CE1 TYR A 17 -1.583 -3.200 10.890 1.00 0.00 C ATOM 208 CE2 TYR A 17 -1.345 -1.046 11.906 1.00 0.00 C ATOM 209 CZ TYR A 17 -0.963 -2.367 11.798 1.00 0.00 C ATOM 210 OH TYR A 17 0.043 -2.856 12.599 1.00 0.00 O ATOM 0 H TYR A 17 -2.312 -1.671 7.082 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.392 0.327 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.637 -0.060 9.835 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.816 -1.639 9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.073 -3.358 9.374 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.654 0.474 11.187 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.282 -4.234 10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.857 -0.396 12.617 1.00 0.00 H new ATOM 0 HH TYR A 17 0.868 -2.355 12.431 1.00 0.00 H new ATOM 220 N GLY A 18 -2.553 1.910 7.941 1.00 0.00 N ATOM 221 CA GLY A 18 -1.463 2.850 8.131 1.00 0.00 C ATOM 222 C GLY A 18 -1.805 4.242 7.637 1.00 0.00 C ATOM 223 O GLY A 18 -2.867 4.475 7.059 1.00 0.00 O ATOM 0 H GLY A 18 -3.422 2.324 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.207 2.896 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.579 2.488 7.605 1.00 0.00 H new ATOM 227 N PRO A 19 -0.892 5.196 7.867 1.00 0.00 N ATOM 228 CA PRO A 19 -1.080 6.589 7.451 1.00 0.00 C ATOM 229 C PRO A 19 -1.015 6.755 5.937 1.00 0.00 C ATOM 230 O PRO A 19 -1.757 7.548 5.357 1.00 0.00 O ATOM 231 CB PRO A 19 0.087 7.320 8.119 1.00 0.00 C ATOM 232 CG PRO A 19 1.134 6.276 8.302 1.00 0.00 C ATOM 233 CD PRO A 19 0.396 4.989 8.551 1.00 0.00 C ATOM 0 HA PRO A 19 -2.060 6.971 7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.449 8.139 7.497 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.212 7.753 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.767 6.198 7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.786 6.520 9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.934 4.132 8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.260 4.804 9.616 1.00 0.00 H new ATOM 241 N GLY A 20 -0.123 6.002 5.301 1.00 0.00 N ATOM 242 CA GLY A 20 0.021 6.081 3.859 1.00 0.00 C ATOM 243 C GLY A 20 -1.198 5.559 3.125 1.00 0.00 C ATOM 244 O GLY A 20 -1.450 5.935 1.979 1.00 0.00 O ATOM 0 H GLY A 20 0.502 5.339 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.199 7.117 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.898 5.510 3.553 1.00 0.00 H new ATOM 248 N LEU A 21 -1.956 4.690 3.783 1.00 0.00 N ATOM 249 CA LEU A 21 -3.156 4.114 3.185 1.00 0.00 C ATOM 250 C LEU A 21 -4.331 5.080 3.284 1.00 0.00 C ATOM 251 O LEU A 21 -5.068 5.279 2.318 1.00 0.00 O ATOM 252 CB LEU A 21 -3.508 2.793 3.872 1.00 0.00 C ATOM 253 CG LEU A 21 -2.439 1.701 3.814 1.00 0.00 C ATOM 254 CD1 LEU A 21 -2.695 0.646 4.880 1.00 0.00 C ATOM 255 CD2 LEU A 21 -2.399 1.066 2.432 1.00 0.00 C ATOM 0 H LEU A 21 -1.762 4.368 4.731 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.952 3.926 2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.732 2.999 4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.421 2.404 3.421 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.469 2.158 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.924 -0.123 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.672 1.111 5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.673 0.193 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.633 0.291 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.369 0.623 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.167 1.828 1.688 1.00 0.00 H new ATOM 267 N SER A 22 -4.500 5.681 4.458 1.00 0.00 N ATOM 268 CA SER A 22 -5.587 6.626 4.684 1.00 0.00 C ATOM 269 C SER A 22 -5.400 7.881 3.837 1.00 0.00 C ATOM 270 O SER A 22 -6.362 8.428 3.295 1.00 0.00 O ATOM 271 CB SER A 22 -5.665 7.003 6.164 1.00 0.00 C ATOM 272 OG SER A 22 -6.103 5.906 6.947 1.00 0.00 O ATOM 0 H SER A 22 -3.898 5.530 5.267 1.00 0.00 H new ATOM 0 HA SER A 22 -6.520 6.145 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.686 7.333 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.349 7.842 6.293 1.00 0.00 H new ATOM 0 HG SER A 22 -6.143 6.172 7.889 1.00 0.00 H new ATOM 278 N HIS A 23 -4.155 8.334 3.728 1.00 0.00 N ATOM 279 CA HIS A 23 -3.840 9.525 2.947 1.00 0.00 C ATOM 280 C HIS A 23 -2.331 9.730 2.853 1.00 0.00 C ATOM 281 O HIS A 23 -1.552 8.910 3.338 1.00 0.00 O ATOM 282 CB HIS A 23 -4.497 10.757 3.569 1.00 0.00 C ATOM 283 CG HIS A 23 -3.910 11.145 4.892 1.00 0.00 C ATOM 284 ND1 HIS A 23 -4.344 10.621 6.091 1.00 0.00 N ATOM 285 CD2 HIS A 23 -2.915 12.010 5.199 1.00 0.00 C ATOM 286 CE1 HIS A 23 -3.643 11.148 7.079 1.00 0.00 C ATOM 287 NE2 HIS A 23 -2.769 11.994 6.564 1.00 0.00 N ATOM 0 H HIS A 23 -3.348 7.894 4.171 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.232 9.383 1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.404 11.596 2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.563 10.566 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.343 12.602 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.764 10.925 8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.095 12.546 7.094 1.00 0.00 H new ATOM 296 N GLY A 24 -1.926 10.830 2.226 1.00 0.00 N ATOM 297 CA GLY A 24 -0.512 11.122 2.080 1.00 0.00 C ATOM 298 C GLY A 24 -0.262 12.430 1.356 1.00 0.00 C ATOM 299 O GLY A 24 -1.194 13.192 1.097 1.00 0.00 O ATOM 0 H GLY A 24 -2.552 11.524 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.049 11.162 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.031 10.310 1.534 1.00 0.00 H new ATOM 303 N MET A 25 0.999 12.693 1.031 1.00 0.00 N ATOM 304 CA MET A 25 1.368 13.919 0.332 1.00 0.00 C ATOM 305 C MET A 25 2.391 13.634 -0.763 1.00 0.00 C ATOM 306 O MET A 25 3.144 12.664 -0.685 1.00 0.00 O ATOM 307 CB MET A 25 1.933 14.943 1.319 1.00 0.00 C ATOM 308 CG MET A 25 0.948 15.349 2.404 1.00 0.00 C ATOM 309 SD MET A 25 1.763 16.016 3.867 1.00 0.00 S ATOM 310 CE MET A 25 2.474 14.528 4.567 1.00 0.00 C ATOM 0 H MET A 25 1.783 12.074 1.240 1.00 0.00 H new ATOM 0 HA MET A 25 0.470 14.328 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.826 14.530 1.787 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.243 15.832 0.770 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.260 16.094 2.005 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.350 14.483 2.689 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.984 14.301 5.514 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.331 13.697 3.876 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.540 14.679 4.737 1.00 0.00 H new ATOM 320 N VAL A 26 2.411 14.486 -1.784 1.00 0.00 N ATOM 321 CA VAL A 26 3.342 14.325 -2.895 1.00 0.00 C ATOM 322 C VAL A 26 4.787 14.378 -2.413 1.00 0.00 C ATOM 323 O VAL A 26 5.113 15.104 -1.475 1.00 0.00 O ATOM 324 CB VAL A 26 3.129 15.412 -3.966 1.00 0.00 C ATOM 325 CG1 VAL A 26 4.130 15.247 -5.099 1.00 0.00 C ATOM 326 CG2 VAL A 26 1.703 15.368 -4.493 1.00 0.00 C ATOM 0 H VAL A 26 1.794 15.294 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 26 3.145 13.347 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 26 3.292 16.387 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.965 16.023 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.143 15.332 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.001 14.267 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.570 16.142 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.509 14.391 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.006 15.539 -3.672 1.00 0.00 H new ATOM 336 N ASN A 27 5.650 13.604 -3.062 1.00 0.00 N ATOM 337 CA ASN A 27 7.062 13.562 -2.700 1.00 0.00 C ATOM 338 C ASN A 27 7.245 13.024 -1.284 1.00 0.00 C ATOM 339 O ASN A 27 8.160 13.429 -0.567 1.00 0.00 O ATOM 340 CB ASN A 27 7.680 14.957 -2.812 1.00 0.00 C ATOM 341 CG ASN A 27 8.225 15.239 -4.198 1.00 0.00 C ATOM 342 OD1 ASN A 27 9.316 14.791 -4.552 1.00 0.00 O ATOM 343 ND2 ASN A 27 7.466 15.986 -4.992 1.00 0.00 N ATOM 0 H ASN A 27 5.396 12.997 -3.842 1.00 0.00 H new ATOM 0 HA ASN A 27 7.569 12.891 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.928 15.705 -2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.483 15.055 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.781 16.209 -5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.568 16.336 -4.657 1.00 0.00 H new ATOM 350 N LYS A 28 6.368 12.109 -0.887 1.00 0.00 N ATOM 351 CA LYS A 28 6.431 11.512 0.442 1.00 0.00 C ATOM 352 C LYS A 28 6.122 10.020 0.384 1.00 0.00 C ATOM 353 O LYS A 28 5.085 9.596 -0.127 1.00 0.00 O ATOM 354 CB LYS A 28 5.450 12.212 1.385 1.00 0.00 C ATOM 355 CG LYS A 28 5.661 13.713 1.479 1.00 0.00 C ATOM 356 CD LYS A 28 6.894 14.052 2.301 1.00 0.00 C ATOM 357 CE LYS A 28 6.670 13.777 3.780 1.00 0.00 C ATOM 358 NZ LYS A 28 7.672 14.476 4.631 1.00 0.00 N ATOM 0 H LYS A 28 5.604 11.764 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 28 7.444 11.640 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.432 12.017 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.543 11.778 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.764 14.130 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.783 14.177 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.742 13.467 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.150 15.102 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.667 14.098 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.724 12.704 3.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.486 14.264 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.628 14.151 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.603 15.502 4.476 1.00 0.00 H new ATOM 372 N PRO A 29 7.040 9.203 0.922 1.00 0.00 N ATOM 373 CA PRO A 29 6.886 7.746 0.946 1.00 0.00 C ATOM 374 C PRO A 29 5.784 7.295 1.898 1.00 0.00 C ATOM 375 O PRO A 29 5.988 7.227 3.110 1.00 0.00 O ATOM 376 CB PRO A 29 8.250 7.252 1.434 1.00 0.00 C ATOM 377 CG PRO A 29 8.807 8.392 2.216 1.00 0.00 C ATOM 378 CD PRO A 29 8.299 9.640 1.549 1.00 0.00 C ATOM 0 HA PRO A 29 6.599 7.351 -0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.150 6.359 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.899 6.991 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.484 8.346 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.897 8.367 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.132 10.441 2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.006 10.017 0.810 1.00 0.00 H new ATOM 386 N ALA A 30 4.617 6.987 1.343 1.00 0.00 N ATOM 387 CA ALA A 30 3.484 6.540 2.143 1.00 0.00 C ATOM 388 C ALA A 30 3.772 5.194 2.799 1.00 0.00 C ATOM 389 O ALA A 30 3.704 4.148 2.152 1.00 0.00 O ATOM 390 CB ALA A 30 2.231 6.453 1.283 1.00 0.00 C ATOM 0 H ALA A 30 4.431 7.039 0.341 1.00 0.00 H new ATOM 0 HA ALA A 30 3.318 7.272 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.393 6.118 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.007 7.435 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.395 5.744 0.472 1.00 0.00 H new ATOM 396 N THR A 31 4.094 5.226 4.088 1.00 0.00 N ATOM 397 CA THR A 31 4.395 4.008 4.832 1.00 0.00 C ATOM 398 C THR A 31 3.144 3.449 5.500 1.00 0.00 C ATOM 399 O THR A 31 2.373 4.188 6.113 1.00 0.00 O ATOM 400 CB THR A 31 5.470 4.257 5.906 1.00 0.00 C ATOM 401 OG1 THR A 31 4.915 5.012 6.989 1.00 0.00 O ATOM 402 CG2 THR A 31 6.659 5.003 5.320 1.00 0.00 C ATOM 0 H THR A 31 4.153 6.082 4.639 1.00 0.00 H new ATOM 0 HA THR A 31 4.774 3.283 4.112 1.00 0.00 H new ATOM 0 HB THR A 31 5.813 3.290 6.275 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.604 5.165 7.669 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.405 5.167 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.098 4.413 4.515 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.328 5.964 4.927 1.00 0.00 H new ATOM 410 N PHE A 32 2.949 2.140 5.379 1.00 0.00 N ATOM 411 CA PHE A 32 1.791 1.482 5.972 1.00 0.00 C ATOM 412 C PHE A 32 2.128 0.051 6.379 1.00 0.00 C ATOM 413 O PHE A 32 3.172 -0.485 6.004 1.00 0.00 O ATOM 414 CB PHE A 32 0.619 1.482 4.988 1.00 0.00 C ATOM 415 CG PHE A 32 0.924 0.788 3.692 1.00 0.00 C ATOM 416 CD1 PHE A 32 1.684 1.415 2.717 1.00 0.00 C ATOM 417 CD2 PHE A 32 0.453 -0.492 3.448 1.00 0.00 C ATOM 418 CE1 PHE A 32 1.966 0.778 1.523 1.00 0.00 C ATOM 419 CE2 PHE A 32 0.732 -1.134 2.256 1.00 0.00 C ATOM 420 CZ PHE A 32 1.490 -0.498 1.293 1.00 0.00 C ATOM 0 H PHE A 32 3.578 1.514 4.876 1.00 0.00 H new ATOM 0 HA PHE A 32 1.506 2.038 6.866 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.238 0.999 5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.330 2.512 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.060 2.412 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.139 -0.994 4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.558 1.278 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.358 -2.131 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.710 -0.998 0.361 1.00 0.00 H new ATOM 430 N THR A 33 1.237 -0.565 7.150 1.00 0.00 N ATOM 431 CA THR A 33 1.439 -1.933 7.610 1.00 0.00 C ATOM 432 C THR A 33 0.425 -2.881 6.979 1.00 0.00 C ATOM 433 O THR A 33 -0.759 -2.560 6.878 1.00 0.00 O ATOM 434 CB THR A 33 1.332 -2.031 9.143 1.00 0.00 C ATOM 435 OG1 THR A 33 2.552 -1.591 9.749 1.00 0.00 O ATOM 436 CG2 THR A 33 1.032 -3.459 9.574 1.00 0.00 C ATOM 0 H THR A 33 0.368 -0.137 7.469 1.00 0.00 H new ATOM 0 HA THR A 33 2.444 -2.225 7.304 1.00 0.00 H new ATOM 0 HB THR A 33 0.513 -1.390 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.475 -1.655 10.724 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.961 -3.504 10.661 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.088 -3.781 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.832 -4.117 9.235 1.00 0.00 H new ATOM 444 N ILE A 34 0.898 -4.049 6.557 1.00 0.00 N ATOM 445 CA ILE A 34 0.031 -5.044 5.937 1.00 0.00 C ATOM 446 C ILE A 34 -0.081 -6.292 6.806 1.00 0.00 C ATOM 447 O ILE A 34 0.907 -6.989 7.041 1.00 0.00 O ATOM 448 CB ILE A 34 0.544 -5.447 4.542 1.00 0.00 C ATOM 449 CG1 ILE A 34 0.823 -4.201 3.698 1.00 0.00 C ATOM 450 CG2 ILE A 34 -0.465 -6.349 3.848 1.00 0.00 C ATOM 451 CD1 ILE A 34 1.516 -4.502 2.388 1.00 0.00 C ATOM 0 H ILE A 34 1.876 -4.329 6.633 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.953 -4.586 5.834 1.00 0.00 H new ATOM 0 HB ILE A 34 1.476 -6.000 4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.119 -3.692 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.439 -3.511 4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.089 -6.626 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.619 -7.249 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.412 -5.820 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.682 -3.573 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.474 -4.983 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.892 -5.167 1.791 1.00 0.00 H new ATOM 463 N VAL A 35 -1.291 -6.570 7.280 1.00 0.00 N ATOM 464 CA VAL A 35 -1.534 -7.737 8.120 1.00 0.00 C ATOM 465 C VAL A 35 -1.372 -9.029 7.327 1.00 0.00 C ATOM 466 O VAL A 35 -2.258 -9.419 6.566 1.00 0.00 O ATOM 467 CB VAL A 35 -2.944 -7.700 8.738 1.00 0.00 C ATOM 468 CG1 VAL A 35 -3.099 -8.797 9.781 1.00 0.00 C ATOM 469 CG2 VAL A 35 -3.225 -6.333 9.343 1.00 0.00 C ATOM 0 H VAL A 35 -2.119 -6.003 7.097 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.794 -7.710 8.920 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.673 -7.878 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.102 -8.755 10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.944 -9.769 9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.363 -8.654 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.226 -6.325 9.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.492 -6.122 10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.159 -5.571 8.566 1.00 0.00 H new ATOM 479 N THR A 36 -0.233 -9.690 7.510 1.00 0.00 N ATOM 480 CA THR A 36 0.047 -10.939 6.811 1.00 0.00 C ATOM 481 C THR A 36 0.508 -12.020 7.781 1.00 0.00 C ATOM 482 O THR A 36 1.114 -13.013 7.378 1.00 0.00 O ATOM 483 CB THR A 36 1.123 -10.746 5.726 1.00 0.00 C ATOM 484 OG1 THR A 36 2.343 -10.293 6.321 1.00 0.00 O ATOM 485 CG2 THR A 36 0.661 -9.745 4.678 1.00 0.00 C ATOM 0 H THR A 36 0.511 -9.381 8.136 1.00 0.00 H new ATOM 0 HA THR A 36 -0.884 -11.252 6.338 1.00 0.00 H new ATOM 0 HB THR A 36 1.292 -11.706 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.939 -9.949 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.437 -9.625 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.252 -10.108 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.466 -8.784 5.154 1.00 0.00 H new ATOM 493 N LYS A 37 0.217 -11.822 9.063 1.00 0.00 N ATOM 494 CA LYS A 37 0.599 -12.782 10.092 1.00 0.00 C ATOM 495 C LYS A 37 -0.132 -14.107 9.899 1.00 0.00 C ATOM 496 O LYS A 37 0.406 -15.173 10.198 1.00 0.00 O ATOM 497 CB LYS A 37 0.297 -12.218 11.482 1.00 0.00 C ATOM 498 CG LYS A 37 -1.186 -12.045 11.759 1.00 0.00 C ATOM 499 CD LYS A 37 -1.455 -11.829 13.239 1.00 0.00 C ATOM 500 CE LYS A 37 -0.902 -10.495 13.717 1.00 0.00 C ATOM 501 NZ LYS A 37 -1.849 -9.376 13.457 1.00 0.00 N ATOM 0 H LYS A 37 -0.282 -11.005 9.414 1.00 0.00 H new ATOM 0 HA LYS A 37 1.670 -12.963 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.724 -12.881 12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.793 -11.253 11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.567 -11.196 11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.727 -12.927 11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.529 -11.866 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.004 -12.638 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.691 -10.551 14.785 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.044 -10.294 13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.327 -8.477 13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.317 -9.523 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.565 -9.345 14.210 1.00 0.00 H new ATOM 573 N LEU A 44 1.353 -13.122 -2.410 1.00 0.00 N ATOM 574 CA LEU A 44 0.899 -11.747 -2.235 1.00 0.00 C ATOM 575 C LEU A 44 1.458 -10.845 -3.330 1.00 0.00 C ATOM 576 O LEU A 44 2.601 -11.006 -3.758 1.00 0.00 O ATOM 577 CB LEU A 44 1.320 -11.222 -0.861 1.00 0.00 C ATOM 578 CG LEU A 44 0.608 -9.958 -0.378 1.00 0.00 C ATOM 579 CD1 LEU A 44 -0.688 -10.314 0.333 1.00 0.00 C ATOM 580 CD2 LEU A 44 1.516 -9.150 0.537 1.00 0.00 C ATOM 0 HA LEU A 44 -0.189 -11.738 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.155 -12.011 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.392 -11.025 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 44 0.365 -9.347 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.181 -9.402 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.344 -10.849 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.469 -10.947 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.992 -8.254 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.791 -9.753 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.417 -8.863 -0.006 1.00 0.00 H new ATOM 592 N SER A 45 0.645 -9.894 -3.778 1.00 0.00 N ATOM 593 CA SER A 45 1.057 -8.966 -4.825 1.00 0.00 C ATOM 594 C SER A 45 0.844 -7.521 -4.385 1.00 0.00 C ATOM 595 O SER A 45 -0.011 -7.235 -3.546 1.00 0.00 O ATOM 596 CB SER A 45 0.279 -9.239 -6.114 1.00 0.00 C ATOM 597 OG SER A 45 -0.996 -8.621 -6.080 1.00 0.00 O ATOM 0 H SER A 45 -0.303 -9.746 -3.432 1.00 0.00 H new ATOM 0 HA SER A 45 2.120 -9.117 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.844 -8.868 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.162 -10.314 -6.251 1.00 0.00 H new ATOM 0 HG SER A 45 -1.473 -8.809 -6.915 1.00 0.00 H new ATOM 603 N LEU A 46 1.627 -6.613 -4.958 1.00 0.00 N ATOM 604 CA LEU A 46 1.525 -5.196 -4.626 1.00 0.00 C ATOM 605 C LEU A 46 1.556 -4.338 -5.887 1.00 0.00 C ATOM 606 O LEU A 46 2.453 -4.473 -6.719 1.00 0.00 O ATOM 607 CB LEU A 46 2.664 -4.789 -3.690 1.00 0.00 C ATOM 608 CG LEU A 46 2.567 -5.302 -2.253 1.00 0.00 C ATOM 609 CD1 LEU A 46 3.952 -5.422 -1.635 1.00 0.00 C ATOM 610 CD2 LEU A 46 1.686 -4.385 -1.417 1.00 0.00 C ATOM 0 H LEU A 46 2.339 -6.833 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 46 0.573 -5.033 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.603 -5.141 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.714 -3.700 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 46 2.112 -6.292 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.864 -5.788 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.552 -6.119 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.434 -4.444 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.629 -4.766 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.112 -3.382 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.685 -4.350 -1.848 1.00 0.00 H new ATOM 622 N ALA A 47 0.572 -3.455 -6.020 1.00 0.00 N ATOM 623 CA ALA A 47 0.489 -2.572 -7.177 1.00 0.00 C ATOM 624 C ALA A 47 -0.254 -1.286 -6.834 1.00 0.00 C ATOM 625 O ALA A 47 -1.129 -1.275 -5.967 1.00 0.00 O ATOM 626 CB ALA A 47 -0.191 -3.284 -8.337 1.00 0.00 C ATOM 0 H ALA A 47 -0.179 -3.332 -5.341 1.00 0.00 H new ATOM 0 HA ALA A 47 1.504 -2.306 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.246 -2.613 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.383 -4.170 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.198 -3.580 -8.042 1.00 0.00 H new ATOM 632 N VAL A 48 0.099 -0.203 -7.519 1.00 0.00 N ATOM 633 CA VAL A 48 -0.536 1.089 -7.286 1.00 0.00 C ATOM 634 C VAL A 48 -0.984 1.725 -8.597 1.00 0.00 C ATOM 635 O VAL A 48 -0.199 1.854 -9.536 1.00 0.00 O ATOM 636 CB VAL A 48 0.414 2.058 -6.557 1.00 0.00 C ATOM 637 CG1 VAL A 48 -0.237 3.423 -6.394 1.00 0.00 C ATOM 638 CG2 VAL A 48 0.821 1.488 -5.207 1.00 0.00 C ATOM 0 H VAL A 48 0.821 -0.194 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.408 0.905 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 48 1.313 2.181 -7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.449 4.094 -5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.474 3.833 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.153 3.322 -5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.492 2.185 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.067 1.335 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.330 0.535 -5.353 1.00 0.00 H new ATOM 648 N GLU A 49 -2.252 2.121 -8.654 1.00 0.00 N ATOM 649 CA GLU A 49 -2.805 2.743 -9.851 1.00 0.00 C ATOM 650 C GLU A 49 -3.428 4.097 -9.522 1.00 0.00 C ATOM 651 O GLU A 49 -4.518 4.170 -8.956 1.00 0.00 O ATOM 652 CB GLU A 49 -3.852 1.830 -10.491 1.00 0.00 C ATOM 653 CG GLU A 49 -3.259 0.778 -11.413 1.00 0.00 C ATOM 654 CD GLU A 49 -2.890 1.336 -12.774 1.00 0.00 C ATOM 655 OE1 GLU A 49 -2.008 2.218 -12.834 1.00 0.00 O ATOM 656 OE2 GLU A 49 -3.484 0.892 -13.779 1.00 0.00 O ATOM 0 H GLU A 49 -2.915 2.022 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.990 2.899 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.419 1.333 -9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.558 2.440 -11.055 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.371 0.351 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.975 -0.034 -11.539 1.00 0.00 H new ATOM 663 N GLY A 50 -2.726 5.168 -9.881 1.00 0.00 N ATOM 664 CA GLY A 50 -3.225 6.505 -9.616 1.00 0.00 C ATOM 665 C GLY A 50 -2.852 7.490 -10.706 1.00 0.00 C ATOM 666 O GLY A 50 -2.571 7.112 -11.844 1.00 0.00 O ATOM 0 H GLY A 50 -1.821 5.133 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.310 6.471 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.828 6.855 -8.663 1.00 0.00 H new ATOM 670 N PRO A 51 -2.848 8.786 -10.362 1.00 0.00 N ATOM 671 CA PRO A 51 -2.510 9.855 -11.306 1.00 0.00 C ATOM 672 C PRO A 51 -1.032 9.849 -11.683 1.00 0.00 C ATOM 673 O PRO A 51 -0.569 10.711 -12.431 1.00 0.00 O ATOM 674 CB PRO A 51 -2.861 11.131 -10.538 1.00 0.00 C ATOM 675 CG PRO A 51 -2.755 10.750 -9.101 1.00 0.00 C ATOM 676 CD PRO A 51 -3.173 9.308 -9.024 1.00 0.00 C ATOM 0 HA PRO A 51 -3.045 9.749 -12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.176 11.942 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.865 11.477 -10.783 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.736 10.881 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.398 11.376 -8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.632 8.774 -8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.235 9.209 -8.801 1.00 0.00 H new ATOM 684 N SER A 52 -0.296 8.873 -11.160 1.00 0.00 N ATOM 685 CA SER A 52 1.130 8.758 -11.439 1.00 0.00 C ATOM 686 C SER A 52 1.692 7.458 -10.871 1.00 0.00 C ATOM 687 O SER A 52 1.282 7.007 -9.801 1.00 0.00 O ATOM 688 CB SER A 52 1.884 9.953 -10.852 1.00 0.00 C ATOM 689 OG SER A 52 3.053 10.237 -11.602 1.00 0.00 O ATOM 0 H SER A 52 -0.664 8.151 -10.541 1.00 0.00 H new ATOM 0 HA SER A 52 1.264 8.749 -12.521 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.234 10.828 -10.841 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.154 9.744 -9.817 1.00 0.00 H new ATOM 0 HG SER A 52 3.133 11.205 -11.729 1.00 0.00 H new ATOM 695 N LYS A 53 2.632 6.861 -11.595 1.00 0.00 N ATOM 696 CA LYS A 53 3.253 5.614 -11.164 1.00 0.00 C ATOM 697 C LYS A 53 4.188 5.851 -9.983 1.00 0.00 C ATOM 698 O LYS A 53 5.170 6.584 -10.094 1.00 0.00 O ATOM 699 CB LYS A 53 4.027 4.979 -12.322 1.00 0.00 C ATOM 700 CG LYS A 53 4.861 3.779 -11.910 1.00 0.00 C ATOM 701 CD LYS A 53 5.847 3.386 -12.997 1.00 0.00 C ATOM 702 CE LYS A 53 6.110 1.888 -12.996 1.00 0.00 C ATOM 703 NZ LYS A 53 7.246 1.523 -13.888 1.00 0.00 N ATOM 0 H LYS A 53 2.981 7.221 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 53 2.462 4.934 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.322 4.673 -13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.680 5.730 -12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.402 4.009 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.205 2.937 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.457 3.687 -13.969 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.785 3.921 -12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.326 1.558 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.212 1.361 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.393 0.494 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.030 1.815 -14.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.109 2.005 -13.566 1.00 0.00 H new ATOM 717 N ALA A 54 3.877 5.224 -8.853 1.00 0.00 N ATOM 718 CA ALA A 54 4.691 5.365 -7.652 1.00 0.00 C ATOM 719 C ALA A 54 5.315 4.031 -7.253 1.00 0.00 C ATOM 720 O ALA A 54 4.607 3.066 -6.969 1.00 0.00 O ATOM 721 CB ALA A 54 3.856 5.922 -6.509 1.00 0.00 C ATOM 0 H ALA A 54 3.067 4.613 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 54 5.498 6.064 -7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.478 6.022 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.463 6.900 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.028 5.245 -6.299 1.00 0.00 H new ATOM 727 N GLU A 55 6.643 3.986 -7.235 1.00 0.00 N ATOM 728 CA GLU A 55 7.361 2.770 -6.872 1.00 0.00 C ATOM 729 C GLU A 55 6.903 2.254 -5.511 1.00 0.00 C ATOM 730 O GLU A 55 6.434 3.021 -4.670 1.00 0.00 O ATOM 731 CB GLU A 55 8.869 3.027 -6.851 1.00 0.00 C ATOM 732 CG GLU A 55 9.548 2.776 -8.186 1.00 0.00 C ATOM 733 CD GLU A 55 9.812 1.304 -8.439 1.00 0.00 C ATOM 734 OE1 GLU A 55 8.834 0.537 -8.553 1.00 0.00 O ATOM 735 OE2 GLU A 55 10.997 0.920 -8.522 1.00 0.00 O ATOM 0 H GLU A 55 7.243 4.777 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 55 7.140 2.011 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.049 4.059 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.327 2.390 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.924 3.172 -8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.491 3.321 -8.218 1.00 0.00 H new ATOM 742 N ILE A 56 7.042 0.949 -5.302 1.00 0.00 N ATOM 743 CA ILE A 56 6.643 0.330 -4.044 1.00 0.00 C ATOM 744 C ILE A 56 7.738 -0.587 -3.511 1.00 0.00 C ATOM 745 O ILE A 56 8.176 -1.513 -4.194 1.00 0.00 O ATOM 746 CB ILE A 56 5.343 -0.480 -4.202 1.00 0.00 C ATOM 747 CG1 ILE A 56 4.330 0.299 -5.045 1.00 0.00 C ATOM 748 CG2 ILE A 56 4.758 -0.815 -2.838 1.00 0.00 C ATOM 749 CD1 ILE A 56 3.296 -0.581 -5.712 1.00 0.00 C ATOM 0 H ILE A 56 7.428 0.300 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 56 6.473 1.140 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 56 5.574 -1.413 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.822 1.025 -4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.863 0.863 -5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.839 -1.388 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.477 -1.405 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.538 0.107 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.611 0.038 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.794 -1.290 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.737 -1.126 -4.951 1.00 0.00 H new ATOM 761 N THR A 57 8.178 -0.325 -2.284 1.00 0.00 N ATOM 762 CA THR A 57 9.221 -1.126 -1.658 1.00 0.00 C ATOM 763 C THR A 57 8.623 -2.252 -0.822 1.00 0.00 C ATOM 764 O THR A 57 7.443 -2.217 -0.470 1.00 0.00 O ATOM 765 CB THR A 57 10.130 -0.264 -0.761 1.00 0.00 C ATOM 766 OG1 THR A 57 11.293 -1.009 -0.382 1.00 0.00 O ATOM 767 CG2 THR A 57 9.386 0.192 0.484 1.00 0.00 C ATOM 0 H THR A 57 7.827 0.437 -1.704 1.00 0.00 H new ATOM 0 HA THR A 57 9.818 -1.553 -2.464 1.00 0.00 H new ATOM 0 HB THR A 57 10.432 0.617 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.046 -0.396 -0.253 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.048 0.799 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.518 0.783 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.058 -0.679 1.051 1.00 0.00 H new ATOM 775 N CYS A 58 9.443 -3.248 -0.507 1.00 0.00 N ATOM 776 CA CYS A 58 8.994 -4.386 0.288 1.00 0.00 C ATOM 777 C CYS A 58 10.031 -4.755 1.344 1.00 0.00 C ATOM 778 O CYS A 58 11.214 -4.912 1.040 1.00 0.00 O ATOM 779 CB CYS A 58 8.718 -5.589 -0.615 1.00 0.00 C ATOM 780 SG CYS A 58 8.242 -7.088 0.278 1.00 0.00 S ATOM 0 H CYS A 58 10.422 -3.291 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 58 8.072 -4.102 0.794 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.925 -5.329 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.610 -5.799 -1.206 1.00 0.00 H new ATOM 0 HG CYS A 58 8.027 -8.049 -0.571 1.00 0.00 H new ATOM 786 N LYS A 59 9.581 -4.890 2.587 1.00 0.00 N ATOM 787 CA LYS A 59 10.469 -5.240 3.689 1.00 0.00 C ATOM 788 C LYS A 59 10.044 -6.554 4.334 1.00 0.00 C ATOM 789 O LYS A 59 8.869 -6.922 4.300 1.00 0.00 O ATOM 790 CB LYS A 59 10.479 -4.124 4.737 1.00 0.00 C ATOM 791 CG LYS A 59 11.559 -3.082 4.506 1.00 0.00 C ATOM 792 CD LYS A 59 11.093 -1.999 3.547 1.00 0.00 C ATOM 793 CE LYS A 59 12.265 -1.201 2.997 1.00 0.00 C ATOM 794 NZ LYS A 59 12.596 -0.034 3.861 1.00 0.00 N ATOM 0 H LYS A 59 8.606 -4.762 2.856 1.00 0.00 H new ATOM 0 HA LYS A 59 11.475 -5.362 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.506 -3.632 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.617 -4.565 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.840 -2.630 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.451 -3.564 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.542 -2.453 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.404 -1.329 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.137 -1.849 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.027 -0.853 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.400 0.484 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.772 0.598 3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.848 -0.367 4.813 1.00 0.00 H new ATOM 808 N ASP A 60 11.005 -7.257 4.923 1.00 0.00 N ATOM 809 CA ASP A 60 10.729 -8.530 5.579 1.00 0.00 C ATOM 810 C ASP A 60 10.835 -8.395 7.095 1.00 0.00 C ATOM 811 O ASP A 60 11.931 -8.301 7.644 1.00 0.00 O ATOM 812 CB ASP A 60 11.697 -9.605 5.082 1.00 0.00 C ATOM 813 CG ASP A 60 11.168 -10.343 3.867 1.00 0.00 C ATOM 814 OD1 ASP A 60 11.251 -9.787 2.753 1.00 0.00 O ATOM 815 OD2 ASP A 60 10.670 -11.477 4.032 1.00 0.00 O ATOM 0 H ASP A 60 11.982 -6.967 4.960 1.00 0.00 H new ATOM 0 HA ASP A 60 9.710 -8.825 5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.653 -9.143 4.835 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.885 -10.319 5.884 1.00 0.00 H new ATOM 820 N ASN A 61 9.687 -8.385 7.764 1.00 0.00 N ATOM 821 CA ASN A 61 9.650 -8.259 9.217 1.00 0.00 C ATOM 822 C ASN A 61 9.963 -9.594 9.887 1.00 0.00 C ATOM 823 O ASN A 61 10.173 -9.660 11.098 1.00 0.00 O ATOM 824 CB ASN A 61 8.279 -7.757 9.672 1.00 0.00 C ATOM 825 CG ASN A 61 8.014 -6.328 9.240 1.00 0.00 C ATOM 826 OD1 ASN A 61 8.660 -5.394 9.717 1.00 0.00 O ATOM 827 ND2 ASN A 61 7.060 -6.151 8.334 1.00 0.00 N ATOM 0 H ASN A 61 8.770 -8.463 7.324 1.00 0.00 H new ATOM 0 HA ASN A 61 10.410 -7.536 9.513 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.504 -8.406 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.213 -7.824 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.837 -5.212 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.550 -6.954 7.966 1.00 0.00 H new ATOM 834 N LYS A 62 9.993 -10.657 9.089 1.00 0.00 N ATOM 835 CA LYS A 62 10.282 -11.991 9.602 1.00 0.00 C ATOM 836 C LYS A 62 9.668 -12.187 10.985 1.00 0.00 C ATOM 837 O LYS A 62 10.187 -12.947 11.803 1.00 0.00 O ATOM 838 CB LYS A 62 11.794 -12.218 9.668 1.00 0.00 C ATOM 839 CG LYS A 62 12.409 -12.606 8.334 1.00 0.00 C ATOM 840 CD LYS A 62 13.735 -13.325 8.520 1.00 0.00 C ATOM 841 CE LYS A 62 14.546 -13.340 7.234 1.00 0.00 C ATOM 842 NZ LYS A 62 15.389 -12.120 7.096 1.00 0.00 N ATOM 0 H LYS A 62 9.821 -10.620 8.084 1.00 0.00 H new ATOM 0 HA LYS A 62 9.840 -12.718 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.274 -11.309 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.004 -13.001 10.397 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.719 -13.249 7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.560 -11.713 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.308 -12.835 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.552 -14.348 8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.182 -14.225 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.872 -13.414 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.926 -12.168 6.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.780 -11.277 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.050 -12.062 7.897 1.00 0.00 H new ATOM 856 N ASP A 63 8.560 -11.499 11.238 1.00 0.00 N ATOM 857 CA ASP A 63 7.873 -11.600 12.520 1.00 0.00 C ATOM 858 C ASP A 63 6.403 -11.956 12.323 1.00 0.00 C ATOM 859 O ASP A 63 5.863 -12.813 13.021 1.00 0.00 O ATOM 860 CB ASP A 63 7.993 -10.285 13.292 1.00 0.00 C ATOM 861 CG ASP A 63 9.235 -10.233 14.159 1.00 0.00 C ATOM 862 OD1 ASP A 63 9.280 -10.959 15.174 1.00 0.00 O ATOM 863 OD2 ASP A 63 10.163 -9.467 13.824 1.00 0.00 O ATOM 0 H ASP A 63 8.118 -10.865 10.572 1.00 0.00 H new ATOM 0 HA ASP A 63 8.346 -12.395 13.096 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.011 -9.454 12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.111 -10.153 13.918 1.00 0.00 H new ATOM 868 N GLY A 64 5.761 -11.291 11.367 1.00 0.00 N ATOM 869 CA GLY A 64 4.359 -11.551 11.096 1.00 0.00 C ATOM 870 C GLY A 64 3.666 -10.371 10.445 1.00 0.00 C ATOM 871 O GLY A 64 2.488 -10.116 10.696 1.00 0.00 O ATOM 0 H GLY A 64 6.187 -10.577 10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.273 -12.422 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.851 -11.797 12.029 1.00 0.00 H new ATOM 875 N THR A 65 4.399 -9.646 9.605 1.00 0.00 N ATOM 876 CA THR A 65 3.849 -8.485 8.917 1.00 0.00 C ATOM 877 C THR A 65 4.672 -8.136 7.683 1.00 0.00 C ATOM 878 O THR A 65 5.633 -8.831 7.349 1.00 0.00 O ATOM 879 CB THR A 65 3.792 -7.257 9.846 1.00 0.00 C ATOM 880 OG1 THR A 65 5.101 -6.958 10.344 1.00 0.00 O ATOM 881 CG2 THR A 65 2.844 -7.503 11.010 1.00 0.00 C ATOM 0 H THR A 65 5.375 -9.843 9.385 1.00 0.00 H new ATOM 0 HA THR A 65 2.836 -8.749 8.612 1.00 0.00 H new ATOM 0 HB THR A 65 3.421 -6.409 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.056 -6.175 10.932 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.820 -6.623 11.652 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.842 -7.701 10.628 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.189 -8.362 11.585 1.00 0.00 H new ATOM 889 N CYS A 66 4.291 -7.057 7.009 1.00 0.00 N ATOM 890 CA CYS A 66 4.995 -6.616 5.810 1.00 0.00 C ATOM 891 C CYS A 66 4.942 -5.097 5.676 1.00 0.00 C ATOM 892 O CYS A 66 3.866 -4.511 5.548 1.00 0.00 O ATOM 893 CB CYS A 66 4.389 -7.271 4.568 1.00 0.00 C ATOM 894 SG CYS A 66 5.036 -8.922 4.214 1.00 0.00 S ATOM 0 H CYS A 66 3.499 -6.471 7.272 1.00 0.00 H new ATOM 0 HA CYS A 66 6.038 -6.919 5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 66 3.308 -7.336 4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.571 -6.629 3.706 1.00 0.00 H new ATOM 0 HG CYS A 66 5.473 -9.462 5.313 1.00 0.00 H new ATOM 900 N THR A 67 6.111 -4.464 5.708 1.00 0.00 N ATOM 901 CA THR A 67 6.198 -3.014 5.593 1.00 0.00 C ATOM 902 C THR A 67 6.382 -2.588 4.141 1.00 0.00 C ATOM 903 O THR A 67 7.224 -3.131 3.426 1.00 0.00 O ATOM 904 CB THR A 67 7.361 -2.453 6.432 1.00 0.00 C ATOM 905 OG1 THR A 67 7.116 -2.683 7.824 1.00 0.00 O ATOM 906 CG2 THR A 67 7.539 -0.963 6.183 1.00 0.00 C ATOM 0 H THR A 67 7.010 -4.933 5.813 1.00 0.00 H new ATOM 0 HA THR A 67 5.259 -2.610 5.971 1.00 0.00 H new ATOM 0 HB THR A 67 8.275 -2.967 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.861 -2.325 8.351 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.366 -0.590 6.787 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.754 -0.794 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.624 -0.437 6.456 1.00 0.00 H new ATOM 914 N VAL A 68 5.590 -1.611 3.711 1.00 0.00 N ATOM 915 CA VAL A 68 5.667 -1.110 2.344 1.00 0.00 C ATOM 916 C VAL A 68 5.605 0.413 2.312 1.00 0.00 C ATOM 917 O VAL A 68 4.961 1.036 3.157 1.00 0.00 O ATOM 918 CB VAL A 68 4.530 -1.677 1.473 1.00 0.00 C ATOM 919 CG1 VAL A 68 4.622 -1.134 0.055 1.00 0.00 C ATOM 920 CG2 VAL A 68 4.567 -3.198 1.474 1.00 0.00 C ATOM 0 H VAL A 68 4.888 -1.151 4.290 1.00 0.00 H new ATOM 0 HA VAL A 68 6.624 -1.441 1.940 1.00 0.00 H new ATOM 0 HB VAL A 68 3.577 -1.359 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.811 -1.546 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.543 -0.047 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.578 -1.420 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.757 -3.582 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.522 -3.539 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.448 -3.564 2.494 1.00 0.00 H new ATOM 930 N SER A 69 6.279 1.007 1.333 1.00 0.00 N ATOM 931 CA SER A 69 6.303 2.459 1.192 1.00 0.00 C ATOM 932 C SER A 69 6.311 2.862 -0.279 1.00 0.00 C ATOM 933 O SER A 69 7.166 2.424 -1.050 1.00 0.00 O ATOM 934 CB SER A 69 7.529 3.040 1.899 1.00 0.00 C ATOM 935 OG SER A 69 7.886 2.259 3.027 1.00 0.00 O ATOM 0 H SER A 69 6.816 0.506 0.625 1.00 0.00 H new ATOM 0 HA SER A 69 5.401 2.860 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.367 3.084 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.321 4.063 2.212 1.00 0.00 H new ATOM 0 HG SER A 69 8.673 2.651 3.460 1.00 0.00 H new ATOM 941 N TYR A 70 5.354 3.700 -0.661 1.00 0.00 N ATOM 942 CA TYR A 70 5.248 4.162 -2.040 1.00 0.00 C ATOM 943 C TYR A 70 5.405 5.678 -2.120 1.00 0.00 C ATOM 944 O TYR A 70 4.788 6.419 -1.354 1.00 0.00 O ATOM 945 CB TYR A 70 3.904 3.744 -2.638 1.00 0.00 C ATOM 946 CG TYR A 70 2.765 4.669 -2.272 1.00 0.00 C ATOM 947 CD1 TYR A 70 2.653 5.928 -2.849 1.00 0.00 C ATOM 948 CD2 TYR A 70 1.801 4.284 -1.348 1.00 0.00 C ATOM 949 CE1 TYR A 70 1.614 6.776 -2.517 1.00 0.00 C ATOM 950 CE2 TYR A 70 0.759 5.125 -1.011 1.00 0.00 C ATOM 951 CZ TYR A 70 0.670 6.370 -1.598 1.00 0.00 C ATOM 952 OH TYR A 70 -0.367 7.211 -1.264 1.00 0.00 O ATOM 0 H TYR A 70 4.640 4.073 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 70 6.052 3.701 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.995 3.705 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 70 3.664 2.735 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.391 6.249 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.868 3.310 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.542 7.751 -2.975 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.018 4.810 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.871 7.446 -2.071 1.00 0.00 H new ATOM 962 N LEU A 71 6.233 6.131 -3.054 1.00 0.00 N ATOM 963 CA LEU A 71 6.472 7.559 -3.237 1.00 0.00 C ATOM 964 C LEU A 71 5.763 8.073 -4.486 1.00 0.00 C ATOM 965 O LEU A 71 6.230 7.897 -5.612 1.00 0.00 O ATOM 966 CB LEU A 71 7.973 7.837 -3.337 1.00 0.00 C ATOM 967 CG LEU A 71 8.368 9.269 -3.700 1.00 0.00 C ATOM 968 CD1 LEU A 71 8.491 10.122 -2.448 1.00 0.00 C ATOM 969 CD2 LEU A 71 9.671 9.280 -4.486 1.00 0.00 C ATOM 0 H LEU A 71 6.750 5.531 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 71 6.069 8.084 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.433 7.586 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.398 7.164 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 71 7.585 9.694 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.773 11.138 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.535 10.141 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.254 9.700 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.937 10.307 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.463 8.837 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.548 8.704 -5.403 1.00 0.00 H new ATOM 981 N PRO A 72 4.609 8.727 -4.286 1.00 0.00 N ATOM 982 CA PRO A 72 3.813 9.283 -5.384 1.00 0.00 C ATOM 983 C PRO A 72 4.490 10.480 -6.042 1.00 0.00 C ATOM 984 O PRO A 72 5.451 11.036 -5.508 1.00 0.00 O ATOM 985 CB PRO A 72 2.515 9.714 -4.698 1.00 0.00 C ATOM 986 CG PRO A 72 2.899 9.958 -3.279 1.00 0.00 C ATOM 987 CD PRO A 72 3.993 8.974 -2.971 1.00 0.00 C ATOM 0 HA PRO A 72 3.667 8.561 -6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.104 10.613 -5.157 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.751 8.940 -4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.245 10.982 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.047 9.815 -2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.712 9.382 -2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.598 8.057 -2.534 1.00 0.00 H new ATOM 995 N THR A 73 3.984 10.875 -7.206 1.00 0.00 N ATOM 996 CA THR A 73 4.540 12.006 -7.938 1.00 0.00 C ATOM 997 C THR A 73 3.488 13.086 -8.164 1.00 0.00 C ATOM 998 O THR A 73 3.817 14.252 -8.378 1.00 0.00 O ATOM 999 CB THR A 73 5.111 11.568 -9.300 1.00 0.00 C ATOM 1000 OG1 THR A 73 5.999 10.458 -9.125 1.00 0.00 O ATOM 1001 CG2 THR A 73 5.851 12.716 -9.971 1.00 0.00 C ATOM 0 H THR A 73 3.189 10.428 -7.662 1.00 0.00 H new ATOM 0 HA THR A 73 5.347 12.411 -7.328 1.00 0.00 H new ATOM 0 HB THR A 73 4.280 11.270 -9.939 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.356 10.185 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.245 12.383 -10.931 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.165 13.548 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.674 13.040 -9.334 1.00 0.00 H new ATOM 1009 N ALA A 74 2.220 12.689 -8.115 1.00 0.00 N ATOM 1010 CA ALA A 74 1.119 13.624 -8.311 1.00 0.00 C ATOM 1011 C ALA A 74 0.006 13.383 -7.298 1.00 0.00 C ATOM 1012 O ALA A 74 -0.281 12.249 -6.913 1.00 0.00 O ATOM 1013 CB ALA A 74 0.578 13.512 -9.729 1.00 0.00 C ATOM 0 H ALA A 74 1.930 11.727 -7.941 1.00 0.00 H new ATOM 0 HA ALA A 74 1.501 14.633 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.244 14.216 -9.862 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.371 13.742 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.218 12.498 -9.902 1.00 0.00 H new ATOM 1019 N PRO A 75 -0.636 14.473 -6.852 1.00 0.00 N ATOM 1020 CA PRO A 75 -1.728 14.405 -5.877 1.00 0.00 C ATOM 1021 C PRO A 75 -2.990 13.780 -6.462 1.00 0.00 C ATOM 1022 O PRO A 75 -3.299 13.966 -7.638 1.00 0.00 O ATOM 1023 CB PRO A 75 -1.975 15.872 -5.517 1.00 0.00 C ATOM 1024 CG PRO A 75 -1.501 16.638 -6.704 1.00 0.00 C ATOM 1025 CD PRO A 75 -0.346 15.856 -7.267 1.00 0.00 C ATOM 0 HA PRO A 75 -1.472 13.780 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.031 16.059 -5.321 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.428 16.157 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.296 16.746 -7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.190 17.644 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.290 15.947 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.607 16.204 -6.868 1.00 0.00 H new ATOM 1033 N GLY A 76 -3.718 13.038 -5.632 1.00 0.00 N ATOM 1034 CA GLY A 76 -4.938 12.398 -6.086 1.00 0.00 C ATOM 1035 C GLY A 76 -5.250 11.131 -5.314 1.00 0.00 C ATOM 1036 O GLY A 76 -4.626 10.850 -4.291 1.00 0.00 O ATOM 0 H GLY A 76 -3.484 12.869 -4.654 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.770 13.095 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.848 12.161 -7.146 1.00 0.00 H new ATOM 1040 N ASP A 77 -6.219 10.366 -5.803 1.00 0.00 N ATOM 1041 CA ASP A 77 -6.614 9.122 -5.151 1.00 0.00 C ATOM 1042 C ASP A 77 -5.843 7.938 -5.728 1.00 0.00 C ATOM 1043 O ASP A 77 -6.069 7.535 -6.869 1.00 0.00 O ATOM 1044 CB ASP A 77 -8.118 8.893 -5.309 1.00 0.00 C ATOM 1045 CG ASP A 77 -8.622 9.289 -6.683 1.00 0.00 C ATOM 1046 OD1 ASP A 77 -8.307 8.576 -7.659 1.00 0.00 O ATOM 1047 OD2 ASP A 77 -9.332 10.312 -6.783 1.00 0.00 O ATOM 0 H ASP A 77 -6.746 10.585 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.377 9.205 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.343 7.841 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.652 9.466 -4.550 1.00 0.00 H new ATOM 1052 N TYR A 78 -4.933 7.388 -4.933 1.00 0.00 N ATOM 1053 CA TYR A 78 -4.126 6.253 -5.366 1.00 0.00 C ATOM 1054 C TYR A 78 -4.822 4.935 -5.041 1.00 0.00 C ATOM 1055 O TYR A 78 -5.434 4.787 -3.983 1.00 0.00 O ATOM 1056 CB TYR A 78 -2.750 6.294 -4.698 1.00 0.00 C ATOM 1057 CG TYR A 78 -1.794 7.272 -5.343 1.00 0.00 C ATOM 1058 CD1 TYR A 78 -1.873 8.632 -5.072 1.00 0.00 C ATOM 1059 CD2 TYR A 78 -0.811 6.835 -6.222 1.00 0.00 C ATOM 1060 CE1 TYR A 78 -1.002 9.529 -5.659 1.00 0.00 C ATOM 1061 CE2 TYR A 78 0.066 7.725 -6.813 1.00 0.00 C ATOM 1062 CZ TYR A 78 -0.034 9.071 -6.529 1.00 0.00 C ATOM 1063 OH TYR A 78 0.837 9.961 -7.114 1.00 0.00 O ATOM 0 H TYR A 78 -4.735 7.709 -3.985 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.000 6.320 -6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.873 6.558 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.311 5.297 -4.727 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.628 8.994 -4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.731 5.782 -6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.078 10.583 -5.438 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.825 7.368 -7.493 1.00 0.00 H new ATOM 0 HH TYR A 78 0.633 10.869 -6.806 1.00 0.00 H new ATOM 1073 N SER A 79 -4.722 3.978 -5.959 1.00 0.00 N ATOM 1074 CA SER A 79 -5.344 2.673 -5.773 1.00 0.00 C ATOM 1075 C SER A 79 -4.288 1.595 -5.547 1.00 0.00 C ATOM 1076 O SER A 79 -3.644 1.134 -6.490 1.00 0.00 O ATOM 1077 CB SER A 79 -6.202 2.315 -6.988 1.00 0.00 C ATOM 1078 OG SER A 79 -7.264 3.239 -7.152 1.00 0.00 O ATOM 0 H SER A 79 -4.216 4.083 -6.839 1.00 0.00 H new ATOM 0 HA SER A 79 -5.981 2.725 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.582 2.305 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.606 1.310 -6.869 1.00 0.00 H new ATOM 0 HG SER A 79 -7.797 2.990 -7.936 1.00 0.00 H new ATOM 1084 N ILE A 80 -4.115 1.199 -4.291 1.00 0.00 N ATOM 1085 CA ILE A 80 -3.138 0.175 -3.940 1.00 0.00 C ATOM 1086 C ILE A 80 -3.738 -1.221 -4.062 1.00 0.00 C ATOM 1087 O ILE A 80 -4.407 -1.703 -3.146 1.00 0.00 O ATOM 1088 CB ILE A 80 -2.607 0.371 -2.508 1.00 0.00 C ATOM 1089 CG1 ILE A 80 -1.925 1.734 -2.375 1.00 0.00 C ATOM 1090 CG2 ILE A 80 -1.643 -0.748 -2.143 1.00 0.00 C ATOM 1091 CD1 ILE A 80 -2.017 2.323 -0.985 1.00 0.00 C ATOM 0 H ILE A 80 -4.639 1.572 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.310 0.274 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.449 0.339 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.875 1.634 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.376 2.427 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.276 -0.596 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.159 -1.706 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.802 -0.745 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.512 3.289 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.065 2.455 -0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.541 1.650 -0.272 1.00 0.00 H new ATOM 1103 N ILE A 81 -3.493 -1.868 -5.196 1.00 0.00 N ATOM 1104 CA ILE A 81 -4.006 -3.211 -5.436 1.00 0.00 C ATOM 1105 C ILE A 81 -3.172 -4.257 -4.704 1.00 0.00 C ATOM 1106 O ILE A 81 -1.958 -4.341 -4.892 1.00 0.00 O ATOM 1107 CB ILE A 81 -4.025 -3.546 -6.939 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -4.903 -2.547 -7.696 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -4.522 -4.967 -7.158 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -4.497 -2.358 -9.140 1.00 0.00 C ATOM 0 H ILE A 81 -2.942 -1.484 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.027 -3.232 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.008 -3.473 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.938 -2.886 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.865 -1.584 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.530 -5.189 -8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.861 -5.667 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.532 -5.065 -6.760 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.163 -1.637 -9.614 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.472 -1.989 -9.185 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.563 -3.311 -9.664 1.00 0.00 H new ATOM 1122 N VAL A 82 -3.832 -5.054 -3.870 1.00 0.00 N ATOM 1123 CA VAL A 82 -3.153 -6.097 -3.111 1.00 0.00 C ATOM 1124 C VAL A 82 -3.896 -7.425 -3.215 1.00 0.00 C ATOM 1125 O VAL A 82 -4.865 -7.664 -2.495 1.00 0.00 O ATOM 1126 CB VAL A 82 -3.017 -5.713 -1.626 1.00 0.00 C ATOM 1127 CG1 VAL A 82 -2.332 -6.826 -0.847 1.00 0.00 C ATOM 1128 CG2 VAL A 82 -2.255 -4.404 -1.482 1.00 0.00 C ATOM 0 H VAL A 82 -4.837 -4.997 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.158 -6.205 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.016 -5.573 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.245 -6.537 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.922 -7.740 -0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.338 -7.000 -1.259 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.168 -4.148 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.259 -4.513 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.791 -3.612 -2.005 1.00 0.00 H new ATOM 1138 N ARG A 83 -3.434 -8.286 -4.117 1.00 0.00 N ATOM 1139 CA ARG A 83 -4.055 -9.589 -4.316 1.00 0.00 C ATOM 1140 C ARG A 83 -3.264 -10.683 -3.604 1.00 0.00 C ATOM 1141 O ARG A 83 -2.055 -10.562 -3.409 1.00 0.00 O ATOM 1142 CB ARG A 83 -4.155 -9.908 -5.809 1.00 0.00 C ATOM 1143 CG ARG A 83 -4.812 -8.805 -6.624 1.00 0.00 C ATOM 1144 CD ARG A 83 -4.973 -9.210 -8.081 1.00 0.00 C ATOM 1145 NE ARG A 83 -5.065 -8.051 -8.964 1.00 0.00 N ATOM 1146 CZ ARG A 83 -5.390 -8.130 -10.250 1.00 0.00 C ATOM 1147 NH1 ARG A 83 -5.652 -9.308 -10.799 1.00 0.00 N ATOM 1148 NH2 ARG A 83 -5.453 -7.030 -10.988 1.00 0.00 N ATOM 0 H ARG A 83 -2.632 -8.104 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.058 -9.554 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.154 -10.091 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.721 -10.830 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.789 -8.570 -6.200 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.211 -7.898 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.127 -9.828 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.869 -9.821 -8.191 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.869 -7.130 -8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.604 -10.156 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.901 -9.366 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.252 -6.122 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.703 -7.092 -11.975 1.00 0.00 H new ATOM 1162 N PHE A 84 -3.956 -11.750 -3.217 1.00 0.00 N ATOM 1163 CA PHE A 84 -3.319 -12.864 -2.525 1.00 0.00 C ATOM 1164 C PHE A 84 -3.763 -14.198 -3.118 1.00 0.00 C ATOM 1165 O PHE A 84 -4.876 -14.661 -2.867 1.00 0.00 O ATOM 1166 CB PHE A 84 -3.650 -12.821 -1.032 1.00 0.00 C ATOM 1167 CG PHE A 84 -2.772 -13.710 -0.198 1.00 0.00 C ATOM 1168 CD1 PHE A 84 -1.405 -13.496 -0.137 1.00 0.00 C ATOM 1169 CD2 PHE A 84 -3.315 -14.760 0.525 1.00 0.00 C ATOM 1170 CE1 PHE A 84 -0.594 -14.311 0.630 1.00 0.00 C ATOM 1171 CE2 PHE A 84 -2.510 -15.579 1.295 1.00 0.00 C ATOM 1172 CZ PHE A 84 -1.148 -15.355 1.346 1.00 0.00 C ATOM 0 H PHE A 84 -4.958 -11.866 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.241 -12.770 -2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.557 -11.795 -0.677 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.690 -13.114 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.967 -12.682 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.379 -14.941 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.470 -14.132 0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.946 -16.393 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.517 -15.995 1.945 1.00 0.00 H new ATOM 1182 N ASP A 85 -2.886 -14.810 -3.907 1.00 0.00 N ATOM 1183 CA ASP A 85 -3.187 -16.091 -4.536 1.00 0.00 C ATOM 1184 C ASP A 85 -4.351 -15.956 -5.512 1.00 0.00 C ATOM 1185 O ASP A 85 -5.276 -16.769 -5.506 1.00 0.00 O ATOM 1186 CB ASP A 85 -3.515 -17.140 -3.473 1.00 0.00 C ATOM 1187 CG ASP A 85 -3.211 -18.551 -3.939 1.00 0.00 C ATOM 1188 OD1 ASP A 85 -2.114 -18.769 -4.495 1.00 0.00 O ATOM 1189 OD2 ASP A 85 -4.071 -19.436 -3.748 1.00 0.00 O ATOM 0 H ASP A 85 -1.961 -14.440 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.306 -16.412 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.944 -16.928 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.570 -17.067 -3.208 1.00 0.00 H new ATOM 1194 N ASP A 86 -4.299 -14.926 -6.349 1.00 0.00 N ATOM 1195 CA ASP A 86 -5.349 -14.685 -7.332 1.00 0.00 C ATOM 1196 C ASP A 86 -6.681 -14.401 -6.645 1.00 0.00 C ATOM 1197 O ASP A 86 -7.724 -14.913 -7.052 1.00 0.00 O ATOM 1198 CB ASP A 86 -5.489 -15.888 -8.266 1.00 0.00 C ATOM 1199 CG ASP A 86 -4.264 -16.093 -9.135 1.00 0.00 C ATOM 1200 OD1 ASP A 86 -3.141 -16.079 -8.589 1.00 0.00 O ATOM 1201 OD2 ASP A 86 -4.428 -16.265 -10.361 1.00 0.00 O ATOM 0 H ASP A 86 -3.541 -14.244 -6.367 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.069 -13.810 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.665 -16.786 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.363 -15.750 -8.902 1.00 0.00 H new ATOM 1206 N LYS A 87 -6.639 -13.581 -5.600 1.00 0.00 N ATOM 1207 CA LYS A 87 -7.842 -13.228 -4.856 1.00 0.00 C ATOM 1208 C LYS A 87 -7.684 -11.868 -4.181 1.00 0.00 C ATOM 1209 O LYS A 87 -6.853 -11.700 -3.288 1.00 0.00 O ATOM 1210 CB LYS A 87 -8.149 -14.297 -3.805 1.00 0.00 C ATOM 1211 CG LYS A 87 -8.380 -15.678 -4.393 1.00 0.00 C ATOM 1212 CD LYS A 87 -8.485 -16.736 -3.307 1.00 0.00 C ATOM 1213 CE LYS A 87 -9.844 -16.703 -2.626 1.00 0.00 C ATOM 1214 NZ LYS A 87 -10.933 -17.152 -3.538 1.00 0.00 N ATOM 0 H LYS A 87 -5.784 -13.148 -5.249 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.671 -13.171 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.322 -14.346 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.033 -13.998 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.294 -15.673 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.562 -15.928 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.318 -17.722 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.702 -16.577 -2.566 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.823 -17.342 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.053 -15.690 -2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.771 -17.407 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.176 -16.382 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.613 -17.980 -4.080 1.00 0.00 H new ATOM 1228 N HIS A 88 -8.488 -10.902 -4.613 1.00 0.00 N ATOM 1229 CA HIS A 88 -8.439 -9.557 -4.049 1.00 0.00 C ATOM 1230 C HIS A 88 -8.807 -9.576 -2.569 1.00 0.00 C ATOM 1231 O HIS A 88 -9.811 -10.170 -2.176 1.00 0.00 O ATOM 1232 CB HIS A 88 -9.384 -8.628 -4.810 1.00 0.00 C ATOM 1233 CG HIS A 88 -8.709 -7.840 -5.890 1.00 0.00 C ATOM 1234 ND1 HIS A 88 -8.414 -6.498 -5.771 1.00 0.00 N ATOM 1235 CD2 HIS A 88 -8.269 -8.213 -7.115 1.00 0.00 C ATOM 1236 CE1 HIS A 88 -7.823 -6.080 -6.876 1.00 0.00 C ATOM 1237 NE2 HIS A 88 -7.723 -7.101 -7.707 1.00 0.00 N ATOM 0 H HIS A 88 -9.181 -11.025 -5.351 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.419 -9.185 -4.147 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -10.186 -9.221 -5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.848 -7.939 -4.105 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.620 -5.919 -4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.335 -9.201 -7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.480 -5.074 -7.067 1.00 0.00 H new ATOM 1246 N ILE A 89 -7.987 -8.922 -1.753 1.00 0.00 N ATOM 1247 CA ILE A 89 -8.227 -8.863 -0.316 1.00 0.00 C ATOM 1248 C ILE A 89 -9.388 -7.930 0.010 1.00 0.00 C ATOM 1249 O ILE A 89 -9.683 -6.986 -0.723 1.00 0.00 O ATOM 1250 CB ILE A 89 -6.974 -8.391 0.445 1.00 0.00 C ATOM 1251 CG1 ILE A 89 -6.649 -6.939 0.086 1.00 0.00 C ATOM 1252 CG2 ILE A 89 -5.792 -9.297 0.133 1.00 0.00 C ATOM 1253 CD1 ILE A 89 -5.746 -6.256 1.089 1.00 0.00 C ATOM 0 H ILE A 89 -7.151 -8.426 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.477 -9.875 0.004 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.175 -8.445 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.174 -6.913 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.579 -6.376 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.914 -8.950 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.027 -10.318 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.587 -9.273 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.558 -5.231 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.227 -6.250 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.801 -6.795 1.154 1.00 0.00 H new ATOM 1265 N PRO A 90 -10.063 -8.197 1.137 1.00 0.00 N ATOM 1266 CA PRO A 90 -11.202 -7.391 1.588 1.00 0.00 C ATOM 1267 C PRO A 90 -10.780 -6.002 2.054 1.00 0.00 C ATOM 1268 O PRO A 90 -10.605 -5.763 3.248 1.00 0.00 O ATOM 1269 CB PRO A 90 -11.767 -8.199 2.759 1.00 0.00 C ATOM 1270 CG PRO A 90 -10.612 -8.994 3.263 1.00 0.00 C ATOM 1271 CD PRO A 90 -9.767 -9.306 2.060 1.00 0.00 C ATOM 0 HA PRO A 90 -11.920 -7.216 0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.166 -7.546 3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.583 -8.846 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.044 -8.431 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.951 -9.909 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.707 -9.346 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.028 -10.271 1.625 1.00 0.00 H new ATOM 1279 N GLY A 91 -10.620 -5.087 1.102 1.00 0.00 N ATOM 1280 CA GLY A 91 -10.220 -3.732 1.436 1.00 0.00 C ATOM 1281 C GLY A 91 -9.398 -3.084 0.340 1.00 0.00 C ATOM 1282 O GLY A 91 -9.141 -1.881 0.376 1.00 0.00 O ATOM 0 H GLY A 91 -10.760 -5.260 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.109 -3.130 1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.642 -3.744 2.360 1.00 0.00 H new ATOM 1286 N SER A 92 -8.982 -3.883 -0.638 1.00 0.00 N ATOM 1287 CA SER A 92 -8.179 -3.381 -1.746 1.00 0.00 C ATOM 1288 C SER A 92 -8.977 -3.398 -3.046 1.00 0.00 C ATOM 1289 O SER A 92 -9.917 -4.175 -3.218 1.00 0.00 O ATOM 1290 CB SER A 92 -6.908 -4.219 -1.903 1.00 0.00 C ATOM 1291 OG SER A 92 -6.526 -4.316 -3.264 1.00 0.00 O ATOM 0 H SER A 92 -9.188 -4.881 -0.685 1.00 0.00 H new ATOM 0 HA SER A 92 -7.901 -2.351 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.099 -3.770 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.074 -5.217 -1.497 1.00 0.00 H new ATOM 0 HG SER A 92 -6.730 -5.215 -3.598 1.00 0.00 H new ATOM 1297 N PRO A 93 -8.594 -2.521 -3.986 1.00 0.00 N ATOM 1298 CA PRO A 93 -7.477 -1.592 -3.793 1.00 0.00 C ATOM 1299 C PRO A 93 -7.796 -0.506 -2.770 1.00 0.00 C ATOM 1300 O PRO A 93 -8.907 0.023 -2.738 1.00 0.00 O ATOM 1301 CB PRO A 93 -7.283 -0.977 -5.182 1.00 0.00 C ATOM 1302 CG PRO A 93 -8.613 -1.100 -5.840 1.00 0.00 C ATOM 1303 CD PRO A 93 -9.222 -2.368 -5.309 1.00 0.00 C ATOM 0 HA PRO A 93 -6.591 -2.095 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.970 0.065 -5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.513 -1.505 -5.744 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.242 -0.240 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.510 -1.141 -6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.307 -2.291 -5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.008 -3.218 -5.956 1.00 0.00 H new ATOM 1311 N PHE A 94 -6.814 -0.179 -1.936 1.00 0.00 N ATOM 1312 CA PHE A 94 -6.991 0.843 -0.911 1.00 0.00 C ATOM 1313 C PHE A 94 -6.841 2.240 -1.506 1.00 0.00 C ATOM 1314 O PHE A 94 -5.754 2.636 -1.926 1.00 0.00 O ATOM 1315 CB PHE A 94 -5.977 0.645 0.217 1.00 0.00 C ATOM 1316 CG PHE A 94 -6.312 -0.499 1.131 1.00 0.00 C ATOM 1317 CD1 PHE A 94 -7.187 -0.322 2.191 1.00 0.00 C ATOM 1318 CD2 PHE A 94 -5.753 -1.750 0.930 1.00 0.00 C ATOM 1319 CE1 PHE A 94 -7.496 -1.373 3.034 1.00 0.00 C ATOM 1320 CE2 PHE A 94 -6.059 -2.805 1.769 1.00 0.00 C ATOM 1321 CZ PHE A 94 -6.933 -2.616 2.822 1.00 0.00 C ATOM 0 H PHE A 94 -5.888 -0.607 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.998 0.746 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.991 0.476 -0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.914 1.562 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.632 0.647 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.070 -1.903 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.177 -1.222 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.616 -3.775 1.602 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.176 -3.439 3.478 1.00 0.00 H new ATOM 1331 N THR A 95 -7.943 2.984 -1.538 1.00 0.00 N ATOM 1332 CA THR A 95 -7.936 4.336 -2.082 1.00 0.00 C ATOM 1333 C THR A 95 -7.287 5.316 -1.111 1.00 0.00 C ATOM 1334 O THR A 95 -7.889 5.701 -0.109 1.00 0.00 O ATOM 1335 CB THR A 95 -9.363 4.819 -2.405 1.00 0.00 C ATOM 1336 OG1 THR A 95 -9.967 3.952 -3.370 1.00 0.00 O ATOM 1337 CG2 THR A 95 -9.344 6.244 -2.937 1.00 0.00 C ATOM 0 H THR A 95 -8.851 2.673 -1.194 1.00 0.00 H new ATOM 0 HA THR A 95 -7.354 4.303 -3.003 1.00 0.00 H new ATOM 0 HB THR A 95 -9.947 4.799 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.874 4.265 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.362 6.563 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.911 6.906 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.745 6.285 -3.847 1.00 0.00 H new ATOM 1345 N ALA A 96 -6.057 5.717 -1.416 1.00 0.00 N ATOM 1346 CA ALA A 96 -5.328 6.655 -0.571 1.00 0.00 C ATOM 1347 C ALA A 96 -5.375 8.065 -1.149 1.00 0.00 C ATOM 1348 O ALA A 96 -5.141 8.267 -2.342 1.00 0.00 O ATOM 1349 CB ALA A 96 -3.887 6.200 -0.399 1.00 0.00 C ATOM 0 H ALA A 96 -5.545 5.407 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.810 6.676 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.354 6.910 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.870 5.215 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.403 6.149 -1.374 1.00 0.00 H new ATOM 1355 N LYS A 97 -5.678 9.039 -0.298 1.00 0.00 N ATOM 1356 CA LYS A 97 -5.754 10.432 -0.724 1.00 0.00 C ATOM 1357 C LYS A 97 -4.396 11.114 -0.599 1.00 0.00 C ATOM 1358 O LYS A 97 -3.816 11.168 0.486 1.00 0.00 O ATOM 1359 CB LYS A 97 -6.794 11.185 0.110 1.00 0.00 C ATOM 1360 CG LYS A 97 -7.468 12.320 -0.641 1.00 0.00 C ATOM 1361 CD LYS A 97 -8.235 13.233 0.301 1.00 0.00 C ATOM 1362 CE LYS A 97 -7.300 14.168 1.054 1.00 0.00 C ATOM 1363 NZ LYS A 97 -6.886 15.329 0.219 1.00 0.00 N ATOM 0 H LYS A 97 -5.875 8.890 0.692 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.054 10.450 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.555 10.482 0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.312 11.586 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.717 12.899 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.149 11.910 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.958 13.819 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.801 12.631 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.795 14.528 1.956 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.416 13.617 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.546 16.096 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.123 15.039 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.699 15.665 -0.336 1.00 0.00 H new ATOM 1377 N ILE A 98 -3.895 11.635 -1.714 1.00 0.00 N ATOM 1378 CA ILE A 98 -2.607 12.316 -1.727 1.00 0.00 C ATOM 1379 C ILE A 98 -2.767 13.787 -2.095 1.00 0.00 C ATOM 1380 O ILE A 98 -3.309 14.120 -3.150 1.00 0.00 O ATOM 1381 CB ILE A 98 -1.630 11.654 -2.717 1.00 0.00 C ATOM 1382 CG1 ILE A 98 -1.438 10.177 -2.367 1.00 0.00 C ATOM 1383 CG2 ILE A 98 -0.295 12.383 -2.712 1.00 0.00 C ATOM 1384 CD1 ILE A 98 -0.853 9.954 -0.990 1.00 0.00 C ATOM 0 H ILE A 98 -4.362 11.598 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 98 -2.199 12.238 -0.719 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.053 11.719 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.400 9.669 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.785 9.718 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.384 11.903 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.447 13.422 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.135 12.347 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.745 8.885 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 98 0.124 10.433 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.516 10.383 -0.239 1.00 0.00 H new ATOM 1396 N THR A 99 -2.289 14.666 -1.219 1.00 0.00 N ATOM 1397 CA THR A 99 -2.378 16.102 -1.452 1.00 0.00 C ATOM 1398 C THR A 99 -1.071 16.650 -2.013 1.00 0.00 C ATOM 1399 O THR A 99 -0.025 16.009 -1.916 1.00 0.00 O ATOM 1400 CB THR A 99 -2.725 16.860 -0.157 1.00 0.00 C ATOM 1401 OG1 THR A 99 -1.749 16.579 0.852 1.00 0.00 O ATOM 1402 CG2 THR A 99 -4.107 16.470 0.345 1.00 0.00 C ATOM 0 H THR A 99 -1.836 14.408 -0.342 1.00 0.00 H new ATOM 0 HA THR A 99 -3.175 16.256 -2.179 1.00 0.00 H new ATOM 0 HB THR A 99 -2.723 17.928 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.976 17.066 1.671 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.330 17.018 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.851 16.713 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.132 15.399 0.548 1.00 0.00 H new