USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 739 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 67 ASN : amide:sc= -0.966 K(o=-1.9,f=-0.97) USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.911 K(o=-1.9,f=-0.47) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.888 USER MOD Set 2.2: A 75 THR OG1 : rot -72:sc= 1.02 USER MOD Single : A 20 SER OG : rot -160:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= -0.0988 (180deg=-1.68!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.338 USER MOD Single : A 28 THR OG1 : rot 140:sc= -0.344 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.402 K(o=-0.4,f=-5!) USER MOD Single : A 31 SER OG : rot 170:sc= -0.0658 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -137:sc= 0.874 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 72:sc= 0.198 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -126:sc= 0.139 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 83 THR OG1 : rot 65:sc= 0.975 USER MOD Single : A 85 TYR OH : rot 3:sc= 0.111 USER MOD Single : A 88 MET CE :methyl -124:sc= -0.0526 (180deg=-4.83!) USER MOD Single : A 93 ASN : amide:sc= 0.182 K(o=0.18,f=-7.7!) USER MOD Single : A 95 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.14) USER MOD Single : A 98 SER OG : rot 160:sc= 0.244 USER MOD Single : A 101 SER OG : rot 77:sc= 1.63 USER MOD Single : A 103 MET CE :methyl -161:sc= 0 (180deg=-0.467) USER MOD Single : A 104 SER OG : rot 59:sc= 0.361 USER MOD Single : A 109 THR OG1 : rot -172:sc= 1.81 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 177 N LEU A 15 9.564 -0.134 -2.055 1.00 0.00 N ATOM 178 CA LEU A 15 8.166 0.193 -2.284 1.00 0.00 C ATOM 179 C LEU A 15 7.816 1.515 -1.589 1.00 0.00 C ATOM 180 O LEU A 15 8.429 1.832 -0.568 1.00 0.00 O ATOM 181 CB LEU A 15 7.262 -0.922 -1.722 1.00 0.00 C ATOM 182 CG LEU A 15 7.311 -2.266 -2.469 1.00 0.00 C ATOM 183 CD1 LEU A 15 6.321 -3.218 -1.796 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.948 -2.163 -3.953 1.00 0.00 C ATOM 0 HA LEU A 15 8.004 0.288 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.537 -1.096 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.232 -0.564 -1.724 1.00 0.00 H new ATOM 0 HG LEU A 15 8.340 -2.624 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.336 -4.180 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.603 -3.358 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.318 -2.796 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.005 -3.150 -4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.935 -1.775 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.646 -1.491 -4.452 1.00 0.00 H new ATOM 196 N PRO A 16 6.786 2.241 -2.061 1.00 0.00 N ATOM 197 CA PRO A 16 6.332 3.475 -1.430 1.00 0.00 C ATOM 198 C PRO A 16 5.872 3.257 0.021 1.00 0.00 C ATOM 199 O PRO A 16 5.311 2.205 0.344 1.00 0.00 O ATOM 200 CB PRO A 16 5.198 4.018 -2.313 1.00 0.00 C ATOM 201 CG PRO A 16 4.993 3.015 -3.452 1.00 0.00 C ATOM 202 CD PRO A 16 6.031 1.921 -3.261 1.00 0.00 C ATOM 0 HA PRO A 16 7.151 4.191 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.282 4.136 -1.734 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.454 5.001 -2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.985 2.601 -3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.115 3.499 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.549 0.948 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.692 1.864 -4.126 1.00 0.00 H new ATOM 210 N GLY A 17 6.029 4.275 0.869 1.00 0.00 N ATOM 211 CA GLY A 17 5.440 4.312 2.203 1.00 0.00 C ATOM 212 C GLY A 17 3.919 4.497 2.092 1.00 0.00 C ATOM 213 O GLY A 17 3.461 5.130 1.134 1.00 0.00 O ATOM 0 H GLY A 17 6.576 5.106 0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.666 3.389 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.874 5.128 2.780 1.00 0.00 H new ATOM 217 N PRO A 18 3.116 3.953 3.024 1.00 0.00 N ATOM 218 CA PRO A 18 1.664 3.881 2.874 1.00 0.00 C ATOM 219 C PRO A 18 0.970 5.253 3.035 1.00 0.00 C ATOM 220 O PRO A 18 1.506 6.149 3.691 1.00 0.00 O ATOM 221 CB PRO A 18 1.198 2.876 3.932 1.00 0.00 C ATOM 222 CG PRO A 18 2.282 2.951 5.005 1.00 0.00 C ATOM 223 CD PRO A 18 3.553 3.237 4.209 1.00 0.00 C ATOM 0 HA PRO A 18 1.394 3.566 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.219 3.141 4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.112 1.871 3.519 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.076 3.739 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.359 2.018 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.255 3.834 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.065 2.313 3.942 1.00 0.00 H new ATOM 231 N PRO A 19 -0.240 5.436 2.469 1.00 0.00 N ATOM 232 CA PRO A 19 -1.025 6.660 2.621 1.00 0.00 C ATOM 233 C PRO A 19 -1.510 6.881 4.058 1.00 0.00 C ATOM 234 O PRO A 19 -1.387 6.007 4.921 1.00 0.00 O ATOM 235 CB PRO A 19 -2.238 6.529 1.688 1.00 0.00 C ATOM 236 CG PRO A 19 -2.042 5.234 0.914 1.00 0.00 C ATOM 237 CD PRO A 19 -0.946 4.476 1.639 1.00 0.00 C ATOM 0 HA PRO A 19 -0.398 7.517 2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.167 6.505 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.302 7.381 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.964 4.654 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.759 5.436 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.369 3.677 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.266 4.008 0.927 1.00 0.00 H new ATOM 245 N SER A 20 -2.145 8.033 4.283 1.00 0.00 N ATOM 246 CA SER A 20 -2.961 8.281 5.464 1.00 0.00 C ATOM 247 C SER A 20 -4.145 7.307 5.553 1.00 0.00 C ATOM 248 O SER A 20 -4.487 6.606 4.596 1.00 0.00 O ATOM 249 CB SER A 20 -3.509 9.709 5.392 1.00 0.00 C ATOM 250 OG SER A 20 -2.475 10.669 5.364 1.00 0.00 O ATOM 0 H SER A 20 -2.104 8.825 3.642 1.00 0.00 H new ATOM 0 HA SER A 20 -2.335 8.140 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.128 9.816 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.153 9.894 6.252 1.00 0.00 H new ATOM 0 HG SER A 20 -2.831 11.541 5.634 1.00 0.00 H new ATOM 256 N LYS A 21 -4.851 7.334 6.690 1.00 0.00 N ATOM 257 CA LYS A 21 -6.225 6.856 6.759 1.00 0.00 C ATOM 258 C LYS A 21 -7.049 7.555 5.668 1.00 0.00 C ATOM 259 O LYS A 21 -6.940 8.776 5.546 1.00 0.00 O ATOM 260 CB LYS A 21 -6.801 7.193 8.143 1.00 0.00 C ATOM 261 CG LYS A 21 -8.149 6.506 8.366 1.00 0.00 C ATOM 262 CD LYS A 21 -8.896 7.064 9.574 1.00 0.00 C ATOM 263 CE LYS A 21 -10.270 6.402 9.669 1.00 0.00 C ATOM 264 NZ LYS A 21 -11.093 6.985 10.742 1.00 0.00 N ATOM 0 H LYS A 21 -4.485 7.685 7.575 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.259 5.777 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.099 6.882 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.921 8.272 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.766 6.625 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.990 5.436 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.327 6.879 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.006 8.144 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.789 6.507 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.146 5.334 9.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.297 6.258 11.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.578 7.772 11.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.986 7.337 10.342 1.00 0.00 H new ATOM 278 N PRO A 22 -7.871 6.833 4.890 1.00 0.00 N ATOM 279 CA PRO A 22 -8.857 7.468 4.038 1.00 0.00 C ATOM 280 C PRO A 22 -9.905 8.207 4.872 1.00 0.00 C ATOM 281 O PRO A 22 -10.304 7.749 5.945 1.00 0.00 O ATOM 282 CB PRO A 22 -9.535 6.363 3.226 1.00 0.00 C ATOM 283 CG PRO A 22 -8.758 5.089 3.549 1.00 0.00 C ATOM 284 CD PRO A 22 -7.965 5.389 4.814 1.00 0.00 C ATOM 0 HA PRO A 22 -8.374 8.198 3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.585 6.263 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.503 6.583 2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -9.434 4.248 3.703 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.094 4.818 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -8.465 4.983 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.975 4.935 4.772 1.00 0.00 H new ATOM 292 N GLN A 23 -10.425 9.296 4.319 1.00 0.00 N ATOM 293 CA GLN A 23 -11.502 10.098 4.878 1.00 0.00 C ATOM 294 C GLN A 23 -12.653 10.090 3.919 1.00 0.00 C ATOM 295 O GLN A 23 -12.546 10.528 2.775 1.00 0.00 O ATOM 296 CB GLN A 23 -11.076 11.538 5.152 1.00 0.00 C ATOM 297 CG GLN A 23 -9.892 11.460 6.105 1.00 0.00 C ATOM 298 CD GLN A 23 -9.744 12.650 7.048 1.00 0.00 C ATOM 299 OE1 GLN A 23 -9.783 13.807 6.646 1.00 0.00 O ATOM 300 NE2 GLN A 23 -9.499 12.384 8.322 1.00 0.00 N ATOM 0 H GLN A 23 -10.090 9.659 3.427 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.787 9.660 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.798 12.044 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.894 12.108 5.594 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.984 10.552 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.978 11.365 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.469 11.417 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.340 13.146 8.981 1.00 0.00 H new ATOM 309 N VAL A 24 -13.740 9.536 4.413 1.00 0.00 N ATOM 310 CA VAL A 24 -15.019 9.594 3.803 1.00 0.00 C ATOM 311 C VAL A 24 -15.491 11.055 3.846 1.00 0.00 C ATOM 312 O VAL A 24 -15.212 11.758 4.827 1.00 0.00 O ATOM 313 CB VAL A 24 -15.884 8.618 4.605 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.261 7.230 4.830 1.00 0.00 C ATOM 315 CG2 VAL A 24 -16.428 9.163 5.924 1.00 0.00 C ATOM 0 H VAL A 24 -13.739 9.014 5.289 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.051 9.302 2.753 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.733 8.491 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.949 6.612 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.069 6.757 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.323 7.336 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.027 8.396 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -15.598 9.445 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.048 10.038 5.728 1.00 0.00 H new ATOM 325 N THR A 25 -16.201 11.495 2.811 1.00 0.00 N ATOM 326 CA THR A 25 -16.748 12.845 2.728 1.00 0.00 C ATOM 327 C THR A 25 -18.238 12.712 2.388 1.00 0.00 C ATOM 328 O THR A 25 -19.066 12.591 3.295 1.00 0.00 O ATOM 329 CB THR A 25 -15.879 13.758 1.815 1.00 0.00 C ATOM 330 OG1 THR A 25 -16.070 13.556 0.426 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.371 13.602 2.061 1.00 0.00 C ATOM 0 H THR A 25 -16.415 10.918 1.998 1.00 0.00 H new ATOM 0 HA THR A 25 -16.700 13.381 3.676 1.00 0.00 H new ATOM 0 HB THR A 25 -16.225 14.753 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.491 14.167 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.823 14.266 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.143 13.859 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.076 12.570 1.870 1.00 0.00 H new ATOM 339 N ASP A 26 -18.590 12.604 1.108 1.00 0.00 N ATOM 340 CA ASP A 26 -19.924 12.301 0.618 1.00 0.00 C ATOM 341 C ASP A 26 -20.229 10.832 0.855 1.00 0.00 C ATOM 342 O ASP A 26 -19.322 9.997 0.786 1.00 0.00 O ATOM 343 CB ASP A 26 -19.997 12.585 -0.884 1.00 0.00 C ATOM 344 CG ASP A 26 -21.376 12.275 -1.462 1.00 0.00 C ATOM 345 OD1 ASP A 26 -22.375 12.639 -0.819 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.435 11.613 -2.531 1.00 0.00 O ATOM 0 H ASP A 26 -17.917 12.732 0.352 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.648 12.921 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.755 13.632 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.245 11.989 -1.402 1.00 0.00 H new ATOM 351 N VAL A 27 -21.495 10.503 1.075 1.00 0.00 N ATOM 352 CA VAL A 27 -22.012 9.155 0.929 1.00 0.00 C ATOM 353 C VAL A 27 -23.413 9.231 0.329 1.00 0.00 C ATOM 354 O VAL A 27 -24.212 10.123 0.640 1.00 0.00 O ATOM 355 CB VAL A 27 -21.903 8.384 2.260 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.699 8.981 3.427 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.280 6.908 2.088 1.00 0.00 C ATOM 0 H VAL A 27 -22.201 11.180 1.365 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.412 8.570 0.232 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.851 8.477 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.557 8.367 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.349 9.994 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.758 9.007 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.192 6.396 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.307 6.834 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.610 6.443 1.365 1.00 0.00 H new ATOM 367 N THR A 28 -23.708 8.281 -0.548 1.00 0.00 N ATOM 368 CA THR A 28 -24.996 8.097 -1.198 1.00 0.00 C ATOM 369 C THR A 28 -25.418 6.638 -1.007 1.00 0.00 C ATOM 370 O THR A 28 -24.800 5.880 -0.246 1.00 0.00 O ATOM 371 CB THR A 28 -24.895 8.500 -2.681 1.00 0.00 C ATOM 372 OG1 THR A 28 -23.796 7.870 -3.300 1.00 0.00 O ATOM 373 CG2 THR A 28 -24.757 10.005 -2.868 1.00 0.00 C ATOM 0 H THR A 28 -23.022 7.585 -0.839 1.00 0.00 H new ATOM 0 HA THR A 28 -25.760 8.736 -0.755 1.00 0.00 H new ATOM 0 HB THR A 28 -25.826 8.176 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.049 7.583 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 28 -24.690 10.235 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.627 10.506 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 28 -23.856 10.353 -2.364 1.00 0.00 H new ATOM 381 N LYS A 29 -26.501 6.222 -1.667 1.00 0.00 N ATOM 382 CA LYS A 29 -27.013 4.871 -1.507 1.00 0.00 C ATOM 383 C LYS A 29 -26.021 3.812 -1.952 1.00 0.00 C ATOM 384 O LYS A 29 -25.959 2.772 -1.316 1.00 0.00 O ATOM 385 CB LYS A 29 -28.360 4.733 -2.208 1.00 0.00 C ATOM 386 CG LYS A 29 -28.307 4.567 -3.732 1.00 0.00 C ATOM 387 CD LYS A 29 -29.638 4.978 -4.361 1.00 0.00 C ATOM 388 CE LYS A 29 -29.592 4.910 -5.887 1.00 0.00 C ATOM 389 NZ LYS A 29 -30.302 6.063 -6.471 1.00 0.00 N ATOM 0 H LYS A 29 -27.034 6.803 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 29 -27.164 4.697 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.881 3.874 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.960 5.614 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.501 5.175 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.084 3.530 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -30.430 4.327 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -29.889 5.992 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -28.556 4.902 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -30.048 3.981 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -30.264 6.005 -7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -31.294 6.053 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -29.849 6.945 -6.157 1.00 0.00 H new ATOM 403 N ASN A 30 -25.243 4.033 -3.016 1.00 0.00 N ATOM 404 CA ASN A 30 -24.318 3.007 -3.501 1.00 0.00 C ATOM 405 C ASN A 30 -22.988 3.614 -3.925 1.00 0.00 C ATOM 406 O ASN A 30 -22.301 3.042 -4.783 1.00 0.00 O ATOM 407 CB ASN A 30 -24.904 2.170 -4.651 1.00 0.00 C ATOM 408 CG ASN A 30 -26.130 1.355 -4.294 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.155 0.646 -3.303 1.00 0.00 O ATOM 410 ND2 ASN A 30 -27.140 1.403 -5.134 1.00 0.00 N ATOM 0 H ASN A 30 -25.235 4.901 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.150 2.335 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.158 2.839 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.132 1.494 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.972 0.838 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -27.092 2.006 -5.956 1.00 0.00 H new ATOM 417 N SER A 31 -22.626 4.782 -3.399 1.00 0.00 N ATOM 418 CA SER A 31 -21.319 5.377 -3.614 1.00 0.00 C ATOM 419 C SER A 31 -20.893 6.141 -2.359 1.00 0.00 C ATOM 420 O SER A 31 -21.714 6.416 -1.480 1.00 0.00 O ATOM 421 CB SER A 31 -21.362 6.289 -4.851 1.00 0.00 C ATOM 422 OG SER A 31 -21.911 5.622 -5.971 1.00 0.00 O ATOM 0 H SER A 31 -23.240 5.343 -2.808 1.00 0.00 H new ATOM 0 HA SER A 31 -20.579 4.599 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.955 7.177 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.354 6.630 -5.088 1.00 0.00 H new ATOM 0 HG SER A 31 -22.073 6.268 -6.689 1.00 0.00 H new ATOM 428 N VAL A 32 -19.608 6.466 -2.263 1.00 0.00 N ATOM 429 CA VAL A 32 -19.009 7.209 -1.163 1.00 0.00 C ATOM 430 C VAL A 32 -17.749 7.851 -1.728 1.00 0.00 C ATOM 431 O VAL A 32 -17.047 7.230 -2.528 1.00 0.00 O ATOM 432 CB VAL A 32 -18.771 6.284 0.060 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.078 4.961 -0.261 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.997 6.945 1.206 1.00 0.00 C ATOM 0 H VAL A 32 -18.929 6.208 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.661 7.992 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.793 6.079 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -17.955 4.383 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.684 4.395 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.100 5.160 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.874 6.232 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.017 7.261 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.549 7.813 1.565 1.00 0.00 H new ATOM 444 N THR A 33 -17.492 9.101 -1.364 1.00 0.00 N ATOM 445 CA THR A 33 -16.291 9.806 -1.775 1.00 0.00 C ATOM 446 C THR A 33 -15.258 9.633 -0.666 1.00 0.00 C ATOM 447 O THR A 33 -15.589 9.744 0.517 1.00 0.00 O ATOM 448 CB THR A 33 -16.653 11.258 -2.115 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.506 11.231 -3.257 1.00 0.00 O ATOM 450 CG2 THR A 33 -15.411 12.086 -2.432 1.00 0.00 C ATOM 0 H THR A 33 -18.114 9.653 -0.774 1.00 0.00 H new ATOM 0 HA THR A 33 -15.846 9.405 -2.685 1.00 0.00 H new ATOM 0 HB THR A 33 -17.145 11.718 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.757 12.147 -3.499 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.706 13.108 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.746 12.090 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.892 11.651 -3.287 1.00 0.00 H new ATOM 458 N LEU A 34 -14.022 9.327 -1.068 1.00 0.00 N ATOM 459 CA LEU A 34 -12.875 9.101 -0.202 1.00 0.00 C ATOM 460 C LEU A 34 -11.769 10.042 -0.623 1.00 0.00 C ATOM 461 O LEU A 34 -11.417 10.055 -1.802 1.00 0.00 O ATOM 462 CB LEU A 34 -12.314 7.684 -0.376 1.00 0.00 C ATOM 463 CG LEU A 34 -13.170 6.541 0.164 1.00 0.00 C ATOM 464 CD1 LEU A 34 -12.526 5.212 -0.237 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.212 6.624 1.686 1.00 0.00 C ATOM 0 H LEU A 34 -13.788 9.227 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.197 9.253 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.146 7.512 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.340 7.640 0.111 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.180 6.610 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.128 4.387 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.468 5.149 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.522 5.153 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -13.822 5.810 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.200 6.543 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.644 7.579 1.987 1.00 0.00 H new ATOM 477 N SER A 35 -11.187 10.750 0.339 1.00 0.00 N ATOM 478 CA SER A 35 -9.885 11.399 0.221 1.00 0.00 C ATOM 479 C SER A 35 -8.870 10.560 0.972 1.00 0.00 C ATOM 480 O SER A 35 -9.224 9.873 1.923 1.00 0.00 O ATOM 481 CB SER A 35 -9.974 12.843 0.749 1.00 0.00 C ATOM 482 OG SER A 35 -8.762 13.344 1.282 1.00 0.00 O ATOM 0 H SER A 35 -11.621 10.893 1.251 1.00 0.00 H new ATOM 0 HA SER A 35 -9.568 11.467 -0.820 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.297 13.495 -0.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.743 12.889 1.520 1.00 0.00 H new ATOM 0 HG SER A 35 -8.897 14.263 1.594 1.00 0.00 H new ATOM 488 N TRP A 36 -7.604 10.590 0.575 1.00 0.00 N ATOM 489 CA TRP A 36 -6.485 10.267 1.444 1.00 0.00 C ATOM 490 C TRP A 36 -5.373 11.269 1.119 1.00 0.00 C ATOM 491 O TRP A 36 -5.481 12.034 0.150 1.00 0.00 O ATOM 492 CB TRP A 36 -6.100 8.789 1.284 1.00 0.00 C ATOM 493 CG TRP A 36 -5.880 8.359 -0.134 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.689 8.211 -0.748 1.00 0.00 C ATOM 495 CD2 TRP A 36 -6.885 8.064 -1.145 1.00 0.00 C ATOM 496 NE1 TRP A 36 -4.882 7.863 -2.076 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.225 7.829 -2.385 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.293 8.001 -1.135 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -6.935 7.610 -3.572 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.019 7.806 -2.320 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.339 7.639 -3.541 1.00 0.00 C ATOM 0 H TRP A 36 -7.324 10.843 -0.373 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.724 10.367 2.503 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.191 8.599 1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.885 8.172 1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.727 8.344 -0.275 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.131 7.659 -2.736 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.822 8.105 -0.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.411 7.422 -4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.098 7.784 -2.295 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -8.899 7.533 -4.458 1.00 0.00 H new ATOM 512 N GLN A 37 -4.303 11.296 1.909 1.00 0.00 N ATOM 513 CA GLN A 37 -3.120 12.084 1.587 1.00 0.00 C ATOM 514 C GLN A 37 -1.952 11.124 1.328 1.00 0.00 C ATOM 515 O GLN A 37 -1.901 10.051 1.945 1.00 0.00 O ATOM 516 CB GLN A 37 -2.831 13.133 2.673 1.00 0.00 C ATOM 517 CG GLN A 37 -3.990 14.142 2.835 1.00 0.00 C ATOM 518 CD GLN A 37 -3.507 15.584 3.009 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.511 15.849 3.677 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.202 16.539 2.418 1.00 0.00 N ATOM 0 H GLN A 37 -4.233 10.776 2.784 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.285 12.664 0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.654 12.630 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.916 13.670 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.639 14.085 1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.592 13.860 3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.027 16.303 1.867 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.914 17.513 2.513 1.00 0.00 H new ATOM 529 N PRO A 38 -1.060 11.473 0.385 1.00 0.00 N ATOM 530 CA PRO A 38 -0.074 10.547 -0.149 1.00 0.00 C ATOM 531 C PRO A 38 1.083 10.374 0.821 1.00 0.00 C ATOM 532 O PRO A 38 1.563 11.356 1.396 1.00 0.00 O ATOM 533 CB PRO A 38 0.384 11.155 -1.481 1.00 0.00 C ATOM 534 CG PRO A 38 0.074 12.646 -1.358 1.00 0.00 C ATOM 535 CD PRO A 38 -1.099 12.701 -0.397 1.00 0.00 C ATOM 0 HA PRO A 38 -0.488 9.550 -0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.448 10.985 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.146 10.709 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.930 13.201 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.181 13.081 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.027 13.574 0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.040 12.784 -0.940 1.00 0.00 H new ATOM 543 N GLY A 39 1.572 9.141 0.939 1.00 0.00 N ATOM 544 CA GLY A 39 2.828 8.829 1.592 1.00 0.00 C ATOM 545 C GLY A 39 3.996 9.198 0.679 1.00 0.00 C ATOM 546 O GLY A 39 3.848 9.889 -0.332 1.00 0.00 O ATOM 0 H GLY A 39 1.091 8.319 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.904 9.375 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.867 7.767 1.836 1.00 0.00 H new ATOM 550 N THR A 40 5.181 8.745 1.049 1.00 0.00 N ATOM 551 CA THR A 40 6.454 8.905 0.392 1.00 0.00 C ATOM 552 C THR A 40 6.639 7.785 -0.647 1.00 0.00 C ATOM 553 O THR A 40 5.953 6.758 -0.593 1.00 0.00 O ATOM 554 CB THR A 40 7.463 8.824 1.550 1.00 0.00 C ATOM 555 OG1 THR A 40 7.155 9.843 2.490 1.00 0.00 O ATOM 556 CG2 THR A 40 8.936 8.984 1.226 1.00 0.00 C ATOM 0 H THR A 40 5.278 8.201 1.906 1.00 0.00 H new ATOM 0 HA THR A 40 6.566 9.835 -0.165 1.00 0.00 H new ATOM 0 HB THR A 40 7.348 7.800 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.790 9.803 3.236 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.521 8.903 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.242 8.203 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.105 9.961 0.773 1.00 0.00 H new ATOM 564 N PRO A 41 7.534 7.982 -1.622 1.00 0.00 N ATOM 565 CA PRO A 41 8.039 6.943 -2.510 1.00 0.00 C ATOM 566 C PRO A 41 8.986 5.989 -1.763 1.00 0.00 C ATOM 567 O PRO A 41 9.071 5.996 -0.531 1.00 0.00 O ATOM 568 CB PRO A 41 8.714 7.701 -3.662 1.00 0.00 C ATOM 569 CG PRO A 41 9.089 9.051 -3.064 1.00 0.00 C ATOM 570 CD PRO A 41 8.057 9.284 -1.977 1.00 0.00 C ATOM 0 HA PRO A 41 7.253 6.292 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.594 7.170 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.039 7.816 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.100 9.037 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.059 9.840 -3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.508 9.770 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.261 9.939 -2.332 1.00 0.00 H new ATOM 578 N GLY A 42 9.682 5.140 -2.515 1.00 0.00 N ATOM 579 CA GLY A 42 10.838 4.400 -2.068 1.00 0.00 C ATOM 580 C GLY A 42 11.899 4.602 -3.136 1.00 0.00 C ATOM 581 O GLY A 42 11.900 5.616 -3.841 1.00 0.00 O ATOM 0 H GLY A 42 9.440 4.948 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.184 4.763 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.602 3.343 -1.946 1.00 0.00 H new ATOM 585 N THR A 43 12.744 3.598 -3.321 1.00 0.00 N ATOM 586 CA THR A 43 13.702 3.541 -4.424 1.00 0.00 C ATOM 587 C THR A 43 12.977 3.733 -5.765 1.00 0.00 C ATOM 588 O THR A 43 13.552 4.317 -6.688 1.00 0.00 O ATOM 589 CB THR A 43 14.513 2.227 -4.345 1.00 0.00 C ATOM 590 OG1 THR A 43 15.876 2.480 -4.076 1.00 0.00 O ATOM 591 CG2 THR A 43 14.402 1.306 -5.566 1.00 0.00 C ATOM 0 H THR A 43 12.787 2.788 -2.703 1.00 0.00 H new ATOM 0 HA THR A 43 14.419 4.358 -4.344 1.00 0.00 H new ATOM 0 HB THR A 43 14.050 1.688 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.363 1.631 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.009 0.415 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.361 1.015 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.757 1.832 -6.452 1.00 0.00 H new ATOM 599 N LEU A 44 11.730 3.257 -5.889 1.00 0.00 N ATOM 600 CA LEU A 44 10.952 3.413 -7.108 1.00 0.00 C ATOM 601 C LEU A 44 9.888 4.491 -6.946 1.00 0.00 C ATOM 602 O LEU A 44 9.431 4.751 -5.828 1.00 0.00 O ATOM 603 CB LEU A 44 10.276 2.092 -7.494 1.00 0.00 C ATOM 604 CG LEU A 44 11.197 1.027 -8.104 1.00 0.00 C ATOM 605 CD1 LEU A 44 10.362 -0.066 -8.773 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.157 1.538 -9.169 1.00 0.00 C ATOM 0 H LEU A 44 11.242 2.757 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 44 11.641 3.711 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.805 1.673 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.479 2.307 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 44 11.785 0.667 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.024 -0.818 -9.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.715 -0.534 -8.032 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.752 0.374 -9.562 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.764 0.712 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.589 1.968 -9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.806 2.301 -8.738 1.00 0.00 H new ATOM 618 N PRO A 45 9.430 5.050 -8.080 1.00 0.00 N ATOM 619 CA PRO A 45 8.215 5.838 -8.138 1.00 0.00 C ATOM 620 C PRO A 45 7.010 4.919 -7.973 1.00 0.00 C ATOM 621 O PRO A 45 7.121 3.694 -8.013 1.00 0.00 O ATOM 622 CB PRO A 45 8.253 6.493 -9.522 1.00 0.00 C ATOM 623 CG PRO A 45 9.004 5.484 -10.398 1.00 0.00 C ATOM 624 CD PRO A 45 9.881 4.710 -9.428 1.00 0.00 C ATOM 0 HA PRO A 45 8.139 6.588 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.248 6.679 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.766 7.454 -9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.313 4.823 -10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.602 5.987 -11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.797 3.638 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.930 4.974 -9.562 1.00 0.00 H new ATOM 632 N ALA A 46 5.844 5.530 -7.812 1.00 0.00 N ATOM 633 CA ALA A 46 4.562 4.863 -7.827 1.00 0.00 C ATOM 634 C ALA A 46 3.968 4.960 -9.226 1.00 0.00 C ATOM 635 O ALA A 46 4.350 5.802 -10.044 1.00 0.00 O ATOM 636 CB ALA A 46 3.694 5.509 -6.761 1.00 0.00 C ATOM 0 H ALA A 46 5.769 6.536 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 46 4.645 3.801 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.716 5.027 -6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.169 5.395 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.573 6.569 -6.984 1.00 0.00 H new ATOM 642 N SER A 47 2.994 4.095 -9.455 1.00 0.00 N ATOM 643 CA SER A 47 2.357 3.822 -10.724 1.00 0.00 C ATOM 644 C SER A 47 0.884 4.208 -10.647 1.00 0.00 C ATOM 645 O SER A 47 0.373 4.814 -11.590 1.00 0.00 O ATOM 646 CB SER A 47 2.478 2.321 -10.993 1.00 0.00 C ATOM 647 OG SER A 47 3.663 1.955 -11.656 1.00 0.00 O ATOM 0 H SER A 47 2.603 3.527 -8.703 1.00 0.00 H new ATOM 0 HA SER A 47 2.831 4.394 -11.522 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.424 1.786 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.625 1.999 -11.590 1.00 0.00 H new ATOM 0 HG SER A 47 3.675 0.985 -11.793 1.00 0.00 H new ATOM 653 N ALA A 48 0.180 3.798 -9.583 1.00 0.00 N ATOM 654 CA ALA A 48 -1.247 4.074 -9.418 1.00 0.00 C ATOM 655 C ALA A 48 -1.645 3.820 -7.962 1.00 0.00 C ATOM 656 O ALA A 48 -0.795 3.748 -7.072 1.00 0.00 O ATOM 657 CB ALA A 48 -2.066 3.212 -10.399 1.00 0.00 C ATOM 0 H ALA A 48 0.587 3.266 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.458 5.118 -9.649 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.128 3.423 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.771 3.446 -11.422 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.879 2.157 -10.200 1.00 0.00 H new ATOM 663 N TYR A 49 -2.939 3.643 -7.724 1.00 0.00 N ATOM 664 CA TYR A 49 -3.564 3.307 -6.462 1.00 0.00 C ATOM 665 C TYR A 49 -4.600 2.198 -6.709 1.00 0.00 C ATOM 666 O TYR A 49 -5.204 2.131 -7.784 1.00 0.00 O ATOM 667 CB TYR A 49 -4.205 4.588 -5.885 1.00 0.00 C ATOM 668 CG TYR A 49 -3.275 5.567 -5.183 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.739 5.260 -3.918 1.00 0.00 C ATOM 670 CD2 TYR A 49 -2.993 6.820 -5.765 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.904 6.174 -3.252 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.181 7.753 -5.093 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.618 7.424 -3.840 1.00 0.00 C ATOM 674 OH TYR A 49 -0.842 8.328 -3.182 1.00 0.00 O ATOM 0 H TYR A 49 -3.627 3.740 -8.470 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.841 2.933 -5.737 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.701 5.116 -6.700 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.980 4.291 -5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.972 4.313 -3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.403 7.066 -6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.482 5.919 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.989 8.719 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.744 9.135 -3.729 1.00 0.00 H new ATOM 684 N ILE A 50 -4.802 1.339 -5.711 1.00 0.00 N ATOM 685 CA ILE A 50 -5.804 0.286 -5.591 1.00 0.00 C ATOM 686 C ILE A 50 -6.537 0.560 -4.286 1.00 0.00 C ATOM 687 O ILE A 50 -5.930 0.532 -3.214 1.00 0.00 O ATOM 688 CB ILE A 50 -5.140 -1.114 -5.617 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.107 -1.614 -7.068 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.816 -2.162 -4.712 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.452 -2.992 -7.172 1.00 0.00 C ATOM 0 H ILE A 50 -4.206 1.368 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.503 0.287 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.135 -0.992 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.123 -1.662 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.560 -0.903 -7.687 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.285 -3.110 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.791 -1.820 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.852 -2.298 -5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.446 -3.314 -8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.428 -2.937 -6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.015 -3.708 -6.574 1.00 0.00 H new ATOM 703 N ILE A 51 -7.810 0.902 -4.360 1.00 0.00 N ATOM 704 CA ILE A 51 -8.673 1.015 -3.199 1.00 0.00 C ATOM 705 C ILE A 51 -9.355 -0.338 -3.108 1.00 0.00 C ATOM 706 O ILE A 51 -10.036 -0.748 -4.056 1.00 0.00 O ATOM 707 CB ILE A 51 -9.677 2.169 -3.358 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.900 3.479 -3.605 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.591 2.293 -2.123 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.813 4.661 -3.894 1.00 0.00 C ATOM 0 H ILE A 51 -8.280 1.112 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.125 1.252 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.323 1.964 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.288 3.703 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.218 3.339 -4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.289 3.118 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.148 1.366 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.983 2.483 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.211 5.554 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.406 4.453 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.477 4.824 -3.045 1.00 0.00 H new ATOM 722 N GLU A 52 -9.165 -1.026 -1.991 1.00 0.00 N ATOM 723 CA GLU A 52 -9.900 -2.241 -1.678 1.00 0.00 C ATOM 724 C GLU A 52 -10.935 -1.889 -0.623 1.00 0.00 C ATOM 725 O GLU A 52 -10.725 -0.943 0.134 1.00 0.00 O ATOM 726 CB GLU A 52 -8.958 -3.388 -1.254 1.00 0.00 C ATOM 727 CG GLU A 52 -7.882 -3.574 -2.325 1.00 0.00 C ATOM 728 CD GLU A 52 -7.110 -4.899 -2.338 1.00 0.00 C ATOM 729 OE1 GLU A 52 -7.585 -5.924 -1.794 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.042 -4.948 -2.991 1.00 0.00 O ATOM 0 H GLU A 52 -8.493 -0.755 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.410 -2.622 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.497 -3.160 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.524 -4.311 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.354 -3.452 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.159 -2.766 -2.218 1.00 0.00 H new ATOM 737 N ALA A 53 -12.026 -2.648 -0.560 1.00 0.00 N ATOM 738 CA ALA A 53 -13.069 -2.564 0.450 1.00 0.00 C ATOM 739 C ALA A 53 -13.305 -3.956 0.999 1.00 0.00 C ATOM 740 O ALA A 53 -13.228 -4.925 0.245 1.00 0.00 O ATOM 741 CB ALA A 53 -14.371 -2.078 -0.189 1.00 0.00 C ATOM 0 H ALA A 53 -12.213 -3.375 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.765 -1.873 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.149 -2.017 0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.215 -1.093 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.678 -2.778 -0.966 1.00 0.00 H new ATOM 747 N PHE A 54 -13.674 -4.038 2.272 1.00 0.00 N ATOM 748 CA PHE A 54 -14.220 -5.237 2.889 1.00 0.00 C ATOM 749 C PHE A 54 -15.692 -4.965 3.179 1.00 0.00 C ATOM 750 O PHE A 54 -16.092 -3.805 3.317 1.00 0.00 O ATOM 751 CB PHE A 54 -13.428 -5.582 4.160 1.00 0.00 C ATOM 752 CG PHE A 54 -14.131 -6.511 5.136 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.081 -5.998 6.045 1.00 0.00 C ATOM 754 CD2 PHE A 54 -13.874 -7.894 5.112 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.764 -6.853 6.922 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.560 -8.749 5.992 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.510 -8.232 6.892 1.00 0.00 C ATOM 0 H PHE A 54 -13.599 -3.252 2.918 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.137 -6.101 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.484 -6.040 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.185 -4.655 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.284 -4.937 6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.151 -8.298 4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.484 -6.450 7.619 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.357 -9.810 5.977 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.042 -8.895 7.558 1.00 0.00 H new ATOM 767 N SER A 55 -16.497 -6.018 3.307 1.00 0.00 N ATOM 768 CA SER A 55 -17.837 -5.933 3.868 1.00 0.00 C ATOM 769 C SER A 55 -18.227 -7.307 4.432 1.00 0.00 C ATOM 770 O SER A 55 -17.852 -8.343 3.880 1.00 0.00 O ATOM 771 CB SER A 55 -18.820 -5.393 2.815 1.00 0.00 C ATOM 772 OG SER A 55 -18.340 -5.519 1.483 1.00 0.00 O ATOM 0 H SER A 55 -16.232 -6.960 3.021 1.00 0.00 H new ATOM 0 HA SER A 55 -17.870 -5.224 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.767 -5.925 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.024 -4.343 3.023 1.00 0.00 H new ATOM 0 HG SER A 55 -18.534 -4.697 0.986 1.00 0.00 H new ATOM 778 N GLN A 56 -18.973 -7.312 5.539 1.00 0.00 N ATOM 779 CA GLN A 56 -19.339 -8.499 6.313 1.00 0.00 C ATOM 780 C GLN A 56 -20.718 -9.052 5.929 1.00 0.00 C ATOM 781 O GLN A 56 -21.113 -10.104 6.433 1.00 0.00 O ATOM 782 CB GLN A 56 -19.244 -8.204 7.825 1.00 0.00 C ATOM 783 CG GLN A 56 -19.823 -6.860 8.299 1.00 0.00 C ATOM 784 CD GLN A 56 -19.637 -6.652 9.805 1.00 0.00 C ATOM 785 OE1 GLN A 56 -18.510 -6.630 10.297 1.00 0.00 O ATOM 786 NE2 GLN A 56 -20.706 -6.488 10.565 1.00 0.00 N ATOM 0 H GLN A 56 -19.354 -6.453 5.936 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.622 -9.283 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -19.755 -9.004 8.362 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.194 -8.245 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -19.339 -6.046 7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.885 -6.817 8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -21.636 -6.508 10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -20.600 -6.342 11.569 1.00 0.00 H new ATOM 795 N SER A 57 -21.442 -8.362 5.050 1.00 0.00 N ATOM 796 CA SER A 57 -22.756 -8.758 4.537 1.00 0.00 C ATOM 797 C SER A 57 -22.780 -8.951 3.011 1.00 0.00 C ATOM 798 O SER A 57 -23.843 -9.037 2.397 1.00 0.00 O ATOM 799 CB SER A 57 -23.752 -7.676 4.932 1.00 0.00 C ATOM 800 OG SER A 57 -23.892 -7.577 6.339 1.00 0.00 O ATOM 0 H SER A 57 -21.119 -7.477 4.659 1.00 0.00 H new ATOM 0 HA SER A 57 -23.013 -9.725 4.969 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.425 -6.717 4.531 1.00 0.00 H new ATOM 0 HB3 SER A 57 -24.722 -7.894 4.485 1.00 0.00 H new ATOM 0 HG SER A 57 -24.537 -6.872 6.555 1.00 0.00 H new ATOM 806 N VAL A 58 -21.613 -8.944 2.387 1.00 0.00 N ATOM 807 CA VAL A 58 -21.410 -8.881 0.948 1.00 0.00 C ATOM 808 C VAL A 58 -20.757 -10.180 0.480 1.00 0.00 C ATOM 809 O VAL A 58 -21.472 -11.015 -0.080 1.00 0.00 O ATOM 810 CB VAL A 58 -20.644 -7.586 0.631 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.150 -7.476 -0.813 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.544 -6.370 0.918 1.00 0.00 C ATOM 0 H VAL A 58 -20.732 -8.984 2.900 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.341 -8.820 0.384 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.762 -7.609 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.621 -6.532 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.475 -8.304 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.001 -7.514 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.999 -5.453 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.437 -6.424 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -21.833 -6.371 1.969 1.00 0.00 H new ATOM 822 N SER A 59 -19.448 -10.362 0.678 1.00 0.00 N ATOM 823 CA SER A 59 -18.718 -11.530 0.192 1.00 0.00 C ATOM 824 C SER A 59 -17.654 -12.024 1.187 1.00 0.00 C ATOM 825 O SER A 59 -16.911 -12.950 0.859 1.00 0.00 O ATOM 826 CB SER A 59 -18.076 -11.201 -1.164 1.00 0.00 C ATOM 827 OG SER A 59 -18.961 -10.540 -2.062 1.00 0.00 O ATOM 0 H SER A 59 -18.864 -9.696 1.184 1.00 0.00 H new ATOM 0 HA SER A 59 -19.434 -12.344 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.200 -10.573 -1.000 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.725 -12.124 -1.625 1.00 0.00 H new ATOM 0 HG SER A 59 -18.495 -10.356 -2.904 1.00 0.00 H new ATOM 833 N ASN A 60 -17.591 -11.440 2.393 1.00 0.00 N ATOM 834 CA ASN A 60 -16.613 -11.669 3.472 1.00 0.00 C ATOM 835 C ASN A 60 -15.152 -11.387 3.093 1.00 0.00 C ATOM 836 O ASN A 60 -14.272 -11.576 3.936 1.00 0.00 O ATOM 837 CB ASN A 60 -16.779 -13.069 4.103 1.00 0.00 C ATOM 838 CG ASN A 60 -17.867 -13.083 5.165 1.00 0.00 C ATOM 839 OD1 ASN A 60 -19.044 -13.197 4.841 1.00 0.00 O ATOM 840 ND2 ASN A 60 -17.528 -12.913 6.431 1.00 0.00 N ATOM 0 H ASN A 60 -18.279 -10.737 2.663 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.852 -10.919 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.021 -13.792 3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -15.834 -13.382 4.546 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.249 -12.875 7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -16.545 -12.819 6.688 1.00 0.00 H new ATOM 847 N SER A 61 -14.891 -10.913 1.875 1.00 0.00 N ATOM 848 CA SER A 61 -13.573 -10.732 1.275 1.00 0.00 C ATOM 849 C SER A 61 -13.204 -9.250 1.230 1.00 0.00 C ATOM 850 O SER A 61 -14.102 -8.397 1.260 1.00 0.00 O ATOM 851 CB SER A 61 -13.662 -11.296 -0.149 1.00 0.00 C ATOM 852 OG SER A 61 -13.936 -12.682 -0.096 1.00 0.00 O ATOM 0 H SER A 61 -15.641 -10.629 1.244 1.00 0.00 H new ATOM 0 HA SER A 61 -12.806 -11.242 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.445 -10.782 -0.706 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.726 -11.120 -0.679 1.00 0.00 H new ATOM 0 HG SER A 61 -14.864 -12.821 0.185 1.00 0.00 H new ATOM 858 N TRP A 62 -11.909 -8.935 1.077 1.00 0.00 N ATOM 859 CA TRP A 62 -11.523 -7.666 0.473 1.00 0.00 C ATOM 860 C TRP A 62 -11.705 -7.812 -1.038 1.00 0.00 C ATOM 861 O TRP A 62 -11.461 -8.888 -1.599 1.00 0.00 O ATOM 862 CB TRP A 62 -10.077 -7.257 0.808 1.00 0.00 C ATOM 863 CG TRP A 62 -9.857 -6.748 2.202 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.547 -7.491 3.290 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.009 -5.381 2.685 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.515 -6.674 4.406 1.00 0.00 N ATOM 867 CE2 TRP A 62 -9.883 -5.381 4.105 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.283 -4.147 2.067 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.139 -4.241 4.884 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.565 -3.006 2.843 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.534 -3.059 4.245 1.00 0.00 C ATOM 0 H TRP A 62 -11.131 -9.532 1.359 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.152 -6.873 0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.428 -8.118 0.647 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.764 -6.486 0.104 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.355 -8.554 3.287 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.251 -6.991 5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.277 -4.074 0.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -10.033 -4.275 5.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -10.809 -2.076 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.813 -2.194 4.828 1.00 0.00 H new ATOM 882 N GLN A 63 -12.120 -6.737 -1.703 1.00 0.00 N ATOM 883 CA GLN A 63 -12.208 -6.653 -3.155 1.00 0.00 C ATOM 884 C GLN A 63 -11.700 -5.295 -3.580 1.00 0.00 C ATOM 885 O GLN A 63 -11.895 -4.314 -2.862 1.00 0.00 O ATOM 886 CB GLN A 63 -13.650 -6.812 -3.662 1.00 0.00 C ATOM 887 CG GLN A 63 -14.392 -7.935 -2.939 1.00 0.00 C ATOM 888 CD GLN A 63 -15.538 -8.527 -3.736 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.138 -7.844 -4.562 1.00 0.00 O ATOM 890 NE2 GLN A 63 -15.832 -9.799 -3.523 1.00 0.00 N ATOM 0 H GLN A 63 -12.411 -5.880 -1.234 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.613 -7.463 -3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.188 -5.874 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.637 -7.017 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.684 -8.727 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.779 -7.552 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.311 -10.333 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.580 -10.245 -4.054 1.00 0.00 H new ATOM 899 N THR A 64 -11.107 -5.228 -4.762 1.00 0.00 N ATOM 900 CA THR A 64 -10.650 -3.973 -5.329 1.00 0.00 C ATOM 901 C THR A 64 -11.862 -3.221 -5.879 1.00 0.00 C ATOM 902 O THR A 64 -12.464 -3.619 -6.878 1.00 0.00 O ATOM 903 CB THR A 64 -9.552 -4.225 -6.363 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.527 -5.012 -5.780 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.945 -2.905 -6.835 1.00 0.00 C ATOM 0 H THR A 64 -10.930 -6.041 -5.352 1.00 0.00 H new ATOM 0 HA THR A 64 -10.191 -3.340 -4.569 1.00 0.00 H new ATOM 0 HB THR A 64 -9.992 -4.743 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.823 -5.176 -6.442 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.166 -3.105 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.722 -2.289 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.514 -2.378 -5.984 1.00 0.00 H new ATOM 913 N VAL A 65 -12.249 -2.142 -5.204 1.00 0.00 N ATOM 914 CA VAL A 65 -13.395 -1.318 -5.564 1.00 0.00 C ATOM 915 C VAL A 65 -12.987 -0.111 -6.418 1.00 0.00 C ATOM 916 O VAL A 65 -13.840 0.472 -7.084 1.00 0.00 O ATOM 917 CB VAL A 65 -14.189 -0.940 -4.304 1.00 0.00 C ATOM 918 CG1 VAL A 65 -14.841 -2.197 -3.689 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.331 -0.202 -3.266 1.00 0.00 C ATOM 0 H VAL A 65 -11.761 -1.810 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.062 -1.900 -6.200 1.00 0.00 H new ATOM 0 HB VAL A 65 -14.972 -0.245 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.401 -1.917 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.517 -2.648 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.066 -2.915 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.941 0.041 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.501 -0.839 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.940 0.717 -3.704 1.00 0.00 H new ATOM 929 N ALA A 66 -11.698 0.244 -6.477 1.00 0.00 N ATOM 930 CA ALA A 66 -11.195 1.197 -7.457 1.00 0.00 C ATOM 931 C ALA A 66 -9.743 0.867 -7.762 1.00 0.00 C ATOM 932 O ALA A 66 -8.860 1.154 -6.957 1.00 0.00 O ATOM 933 CB ALA A 66 -11.338 2.633 -6.950 1.00 0.00 C ATOM 0 H ALA A 66 -10.983 -0.122 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.783 1.120 -8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.955 3.324 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.390 2.849 -6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.772 2.751 -6.026 1.00 0.00 H new ATOM 939 N ASN A 67 -9.479 0.230 -8.900 1.00 0.00 N ATOM 940 CA ASN A 67 -8.130 -0.115 -9.310 1.00 0.00 C ATOM 941 C ASN A 67 -7.563 0.961 -10.235 1.00 0.00 C ATOM 942 O ASN A 67 -8.290 1.713 -10.894 1.00 0.00 O ATOM 943 CB ASN A 67 -8.101 -1.541 -9.897 1.00 0.00 C ATOM 944 CG ASN A 67 -7.556 -1.703 -11.306 1.00 0.00 C ATOM 945 OD1 ASN A 67 -7.990 -1.041 -12.249 1.00 0.00 O ATOM 946 ND2 ASN A 67 -6.618 -2.614 -11.459 1.00 0.00 N ATOM 0 H ASN A 67 -10.199 -0.060 -9.562 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.467 -0.136 -8.445 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.507 -2.168 -9.231 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.118 -1.933 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.225 -2.791 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.284 -3.142 -10.653 1.00 0.00 H new ATOM 953 N HIS A 68 -6.236 0.978 -10.280 1.00 0.00 N ATOM 954 CA HIS A 68 -5.367 1.800 -11.114 1.00 0.00 C ATOM 955 C HIS A 68 -5.811 3.274 -11.152 1.00 0.00 C ATOM 956 O HIS A 68 -5.865 3.910 -12.208 1.00 0.00 O ATOM 957 CB HIS A 68 -5.167 1.122 -12.482 1.00 0.00 C ATOM 958 CG HIS A 68 -4.260 -0.089 -12.458 1.00 0.00 C ATOM 959 ND1 HIS A 68 -3.405 -0.466 -13.473 1.00 0.00 N ATOM 960 CD2 HIS A 68 -4.095 -0.988 -11.436 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.732 -1.552 -13.061 1.00 0.00 C ATOM 962 NE2 HIS A 68 -3.116 -1.902 -11.823 1.00 0.00 N ATOM 0 H HIS A 68 -5.691 0.360 -9.678 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.375 1.862 -10.666 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.141 0.823 -12.870 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.757 1.853 -13.179 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.629 -0.988 -10.497 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.986 -2.072 -13.644 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.761 -2.684 -11.273 1.00 0.00 H new ATOM 970 N VAL A 69 -6.112 3.819 -9.974 1.00 0.00 N ATOM 971 CA VAL A 69 -6.505 5.202 -9.727 1.00 0.00 C ATOM 972 C VAL A 69 -5.242 6.056 -9.708 1.00 0.00 C ATOM 973 O VAL A 69 -4.251 5.667 -9.098 1.00 0.00 O ATOM 974 CB VAL A 69 -7.264 5.243 -8.378 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.581 6.660 -7.885 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.593 4.492 -8.483 1.00 0.00 C ATOM 0 H VAL A 69 -6.086 3.271 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.164 5.594 -10.502 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.588 4.773 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.113 6.604 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.652 7.214 -7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.203 7.170 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.111 4.533 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.213 4.955 -9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.403 3.452 -8.749 1.00 0.00 H new ATOM 986 N LYS A 70 -5.262 7.229 -10.344 1.00 0.00 N ATOM 987 CA LYS A 70 -4.162 8.184 -10.303 1.00 0.00 C ATOM 988 C LYS A 70 -4.687 9.515 -9.783 1.00 0.00 C ATOM 989 O LYS A 70 -4.748 10.517 -10.495 1.00 0.00 O ATOM 990 CB LYS A 70 -3.584 8.314 -11.706 1.00 0.00 C ATOM 991 CG LYS A 70 -3.064 6.979 -12.265 1.00 0.00 C ATOM 992 CD LYS A 70 -3.357 6.896 -13.756 1.00 0.00 C ATOM 993 CE LYS A 70 -4.844 6.709 -14.045 1.00 0.00 C ATOM 994 NZ LYS A 70 -5.056 6.462 -15.481 1.00 0.00 N ATOM 0 H LYS A 70 -6.053 7.542 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.369 7.849 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.350 8.708 -12.374 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.770 9.038 -11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.991 6.894 -12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.538 6.147 -11.745 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.006 7.805 -14.244 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.798 6.066 -14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.233 5.873 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.396 7.596 -13.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.072 6.336 -15.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.702 7.272 -16.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.544 5.603 -15.765 1.00 0.00 H new ATOM 1008 N THR A 71 -5.188 9.501 -8.557 1.00 0.00 N ATOM 1009 CA THR A 71 -5.635 10.692 -7.846 1.00 0.00 C ATOM 1010 C THR A 71 -5.619 10.369 -6.352 1.00 0.00 C ATOM 1011 O THR A 71 -5.286 9.250 -5.953 1.00 0.00 O ATOM 1012 CB THR A 71 -7.012 11.140 -8.391 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.607 12.203 -7.670 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.005 9.982 -8.499 1.00 0.00 C ATOM 0 H THR A 71 -5.298 8.643 -8.016 1.00 0.00 H new ATOM 0 HA THR A 71 -4.974 11.544 -8.004 1.00 0.00 H new ATOM 0 HB THR A 71 -6.785 11.513 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.512 11.946 -7.396 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.954 10.352 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.608 9.224 -9.174 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.161 9.544 -7.513 1.00 0.00 H new ATOM 1022 N THR A 72 -5.986 11.351 -5.534 1.00 0.00 N ATOM 1023 CA THR A 72 -6.057 11.239 -4.085 1.00 0.00 C ATOM 1024 C THR A 72 -7.462 11.576 -3.564 1.00 0.00 C ATOM 1025 O THR A 72 -7.661 11.629 -2.346 1.00 0.00 O ATOM 1026 CB THR A 72 -4.913 12.042 -3.436 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.060 13.438 -3.601 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.545 11.687 -4.028 1.00 0.00 C ATOM 0 H THR A 72 -6.250 12.275 -5.875 1.00 0.00 H new ATOM 0 HA THR A 72 -5.900 10.202 -3.786 1.00 0.00 H new ATOM 0 HB THR A 72 -4.966 11.774 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.310 13.899 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.772 12.279 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.345 10.627 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.544 11.902 -5.097 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.444 11.800 -4.451 1.00 0.00 N ATOM 1037 CA LEU A 73 -9.857 11.796 -4.118 1.00 0.00 C ATOM 1038 C LEU A 73 -10.557 11.008 -5.228 1.00 0.00 C ATOM 1039 O LEU A 73 -10.274 11.243 -6.409 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.358 13.239 -4.026 1.00 0.00 C ATOM 1041 CG LEU A 73 -11.784 13.339 -3.455 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -11.842 13.392 -1.942 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -12.361 14.663 -3.880 1.00 0.00 C ATOM 0 H LEU A 73 -8.263 11.992 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.060 11.331 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.679 13.815 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.336 13.691 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.310 12.454 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.881 13.462 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.394 12.488 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.293 14.264 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.374 14.761 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.742 15.471 -3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.386 14.716 -4.968 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.369 10.016 -4.863 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.158 9.222 -5.801 1.00 0.00 C ATOM 1057 C TYR A 74 -13.476 8.848 -5.130 1.00 0.00 C ATOM 1058 O TYR A 74 -13.539 8.690 -3.904 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.312 8.015 -6.252 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.916 7.048 -7.261 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.842 6.071 -6.847 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.457 7.039 -8.593 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.302 5.090 -7.739 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -11.894 6.042 -9.485 1.00 0.00 C ATOM 1065 CZ TYR A 74 -12.807 5.054 -9.057 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.110 4.002 -9.866 1.00 0.00 O ATOM 0 H TYR A 74 -11.498 9.738 -3.890 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.415 9.776 -6.704 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.383 8.399 -6.674 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.046 7.444 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.203 6.077 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.768 7.799 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -14.034 4.365 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.529 6.033 -10.501 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.691 4.132 -10.742 1.00 0.00 H new ATOM 1076 N THR A 75 -14.513 8.671 -5.939 1.00 0.00 N ATOM 1077 CA THR A 75 -15.841 8.274 -5.520 1.00 0.00 C ATOM 1078 C THR A 75 -16.000 6.783 -5.819 1.00 0.00 C ATOM 1079 O THR A 75 -16.167 6.391 -6.974 1.00 0.00 O ATOM 1080 CB THR A 75 -16.843 9.175 -6.250 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.674 10.523 -5.834 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.297 8.754 -6.008 1.00 0.00 C ATOM 0 H THR A 75 -14.443 8.807 -6.947 1.00 0.00 H new ATOM 0 HA THR A 75 -16.018 8.400 -4.452 1.00 0.00 H new ATOM 0 HB THR A 75 -16.641 9.076 -7.316 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.008 10.627 -4.918 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.965 9.425 -6.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.444 7.734 -6.362 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.517 8.803 -4.942 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.918 5.951 -4.781 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.220 4.533 -4.871 1.00 0.00 C ATOM 1092 C VAL A 76 -17.676 4.396 -5.308 1.00 0.00 C ATOM 1093 O VAL A 76 -18.551 5.089 -4.785 1.00 0.00 O ATOM 1094 CB VAL A 76 -15.984 3.841 -3.511 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.212 2.331 -3.637 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.561 4.066 -2.991 1.00 0.00 C ATOM 0 H VAL A 76 -15.637 6.251 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.565 4.049 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.691 4.281 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.042 1.856 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.236 2.143 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.520 1.919 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.440 3.562 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.844 3.663 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.385 5.134 -2.864 1.00 0.00 H new ATOM 1106 N ARG A 77 -17.945 3.471 -6.225 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.270 3.016 -6.639 1.00 0.00 C ATOM 1108 C ARG A 77 -19.332 1.501 -6.407 1.00 0.00 C ATOM 1109 O ARG A 77 -18.489 0.935 -5.717 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.511 3.400 -8.115 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.471 4.917 -8.361 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.442 5.250 -9.856 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.843 6.646 -10.110 1.00 0.00 N ATOM 1114 CZ ARG A 77 -21.099 7.114 -10.169 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -22.138 6.285 -10.094 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -21.317 8.417 -10.304 1.00 0.00 N ATOM 0 H ARG A 77 -17.200 2.990 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.061 3.492 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.757 2.918 -8.737 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.480 3.013 -8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.343 5.383 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.591 5.341 -7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.438 5.082 -10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.110 4.576 -10.392 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.093 7.322 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.984 5.282 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -23.088 6.653 -10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.529 9.062 -10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -22.272 8.772 -10.349 1.00 0.00 H new ATOM 1130 N GLY A 78 -20.349 0.837 -6.950 1.00 0.00 N ATOM 1131 CA GLY A 78 -20.433 -0.620 -6.972 1.00 0.00 C ATOM 1132 C GLY A 78 -20.928 -1.235 -5.668 1.00 0.00 C ATOM 1133 O GLY A 78 -20.662 -2.413 -5.417 1.00 0.00 O ATOM 0 H GLY A 78 -21.144 1.299 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.099 -0.923 -7.780 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.448 -1.027 -7.202 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.625 -0.472 -4.819 1.00 0.00 N ATOM 1138 CA LEU A 79 -21.901 -0.885 -3.440 1.00 0.00 C ATOM 1139 C LEU A 79 -23.319 -1.444 -3.319 1.00 0.00 C ATOM 1140 O LEU A 79 -23.963 -1.770 -4.324 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.621 0.274 -2.458 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.200 0.852 -2.546 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -20.028 1.976 -1.524 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.099 -0.192 -2.327 1.00 0.00 C ATOM 0 H LEU A 79 -22.010 0.440 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.224 -1.694 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.338 1.074 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.795 -0.078 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.090 1.229 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.018 2.380 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.750 2.767 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -20.194 1.584 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.123 0.287 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.209 -0.635 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.181 -0.971 -3.085 1.00 0.00 H new ATOM 1156 N ARG A 80 -23.780 -1.589 -2.081 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.151 -1.903 -1.683 1.00 0.00 C ATOM 1158 C ARG A 80 -25.621 -0.785 -0.761 1.00 0.00 C ATOM 1159 O ARG A 80 -24.780 -0.222 -0.053 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.230 -3.209 -0.896 1.00 0.00 C ATOM 1161 CG ARG A 80 -24.827 -4.401 -1.748 1.00 0.00 C ATOM 1162 CD ARG A 80 -24.844 -5.670 -0.906 1.00 0.00 C ATOM 1163 NE ARG A 80 -26.182 -6.272 -0.788 1.00 0.00 N ATOM 1164 CZ ARG A 80 -26.449 -7.582 -0.826 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -25.478 -8.483 -0.928 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -27.703 -8.003 -0.783 1.00 0.00 N ATOM 0 H ARG A 80 -23.166 -1.483 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 80 -25.762 -2.002 -2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.580 -3.148 -0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.246 -3.351 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.511 -4.504 -2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.831 -4.243 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.163 -6.399 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -24.467 -5.442 0.091 1.00 0.00 H new ATOM 0 HE ARG A 80 -26.971 -5.637 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.505 -8.181 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -25.705 -9.477 -0.955 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -28.466 -7.328 -0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -27.907 -9.002 -0.812 1.00 0.00 H new ATOM 1180 N PRO A 81 -26.926 -0.508 -0.679 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.452 0.513 0.206 1.00 0.00 C ATOM 1182 C PRO A 81 -27.615 -0.037 1.608 1.00 0.00 C ATOM 1183 O PRO A 81 -27.747 -1.255 1.784 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.761 0.936 -0.442 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.245 -0.340 -1.139 1.00 0.00 C ATOM 1186 CD PRO A 81 -27.985 -1.131 -1.451 1.00 0.00 C ATOM 0 HA PRO A 81 -26.792 1.372 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.480 1.286 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.613 1.749 -1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.917 -0.908 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -29.797 -0.105 -2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.104 -2.179 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -27.760 -1.103 -2.517 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.606 0.870 2.587 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.602 0.592 4.022 1.00 0.00 C ATOM 1196 C ASN A 82 -26.771 -0.664 4.327 1.00 0.00 C ATOM 1197 O ASN A 82 -27.291 -1.669 4.812 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.043 0.496 4.549 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.788 1.828 4.550 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -29.229 2.877 4.861 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -31.071 1.819 4.222 1.00 0.00 N ATOM 0 H ASN A 82 -27.601 1.870 2.388 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.124 1.418 4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.596 -0.219 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.023 0.101 5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.605 2.688 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.526 0.943 3.965 1.00 0.00 H new ATOM 1208 N THR A 83 -25.498 -0.645 3.938 1.00 0.00 N ATOM 1209 CA THR A 83 -24.523 -1.719 4.095 1.00 0.00 C ATOM 1210 C THR A 83 -23.216 -1.050 4.504 1.00 0.00 C ATOM 1211 O THR A 83 -22.880 0.038 4.023 1.00 0.00 O ATOM 1212 CB THR A 83 -24.428 -2.527 2.776 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.688 -3.072 2.426 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.438 -3.683 2.857 1.00 0.00 C ATOM 0 H THR A 83 -25.096 0.171 3.477 1.00 0.00 H new ATOM 0 HA THR A 83 -24.801 -2.444 4.860 1.00 0.00 H new ATOM 0 HB THR A 83 -24.084 -1.816 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.315 -2.345 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.416 -4.211 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.444 -3.296 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.745 -4.371 3.645 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.527 -1.671 5.456 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.245 -1.213 5.941 1.00 0.00 C ATOM 1224 C ILE A 84 -20.164 -1.633 4.962 1.00 0.00 C ATOM 1225 O ILE A 84 -20.225 -2.733 4.402 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.991 -1.783 7.349 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.977 -1.230 8.399 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.533 -1.573 7.836 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -22.147 0.288 8.427 1.00 0.00 C ATOM 0 H ILE A 84 -22.856 -2.520 5.915 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.234 -0.126 6.016 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.160 -2.855 7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.954 -1.681 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.647 -1.557 9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.418 -1.996 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.845 -2.068 7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.310 -0.507 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.863 0.560 9.203 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -21.186 0.758 8.639 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -22.513 0.631 7.459 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.151 -0.782 4.842 1.00 0.00 N ATOM 1242 CA TYR A 85 -17.938 -1.027 4.082 1.00 0.00 C ATOM 1243 C TYR A 85 -16.755 -0.442 4.821 1.00 0.00 C ATOM 1244 O TYR A 85 -16.872 0.577 5.499 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.030 -0.382 2.691 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.057 -1.036 1.798 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -18.697 -2.171 1.051 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -20.379 -0.555 1.766 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -19.664 -2.854 0.299 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -21.354 -1.229 1.016 1.00 0.00 C ATOM 1251 CZ TYR A 85 -20.999 -2.394 0.302 1.00 0.00 C ATOM 1252 OH TYR A 85 -21.947 -3.090 -0.371 1.00 0.00 O ATOM 0 H TYR A 85 -19.156 0.134 5.291 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.813 -2.103 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.275 0.674 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.054 -0.433 2.209 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.674 -2.518 1.056 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.643 0.334 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.390 -3.725 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.368 -0.860 0.985 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.548 -3.899 -0.754 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.600 -1.061 4.616 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.296 -0.488 4.913 1.00 0.00 C ATOM 1264 C LEU A 86 -13.633 -0.156 3.609 1.00 0.00 C ATOM 1265 O LEU A 86 -14.058 -0.676 2.586 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.431 -1.485 5.696 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.027 -1.834 7.061 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.452 -3.151 7.564 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.742 -0.748 8.089 1.00 0.00 C ATOM 0 H LEU A 86 -15.544 -2.002 4.227 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.415 0.406 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.314 -2.397 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.435 -1.065 5.835 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.106 -1.921 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.884 -3.389 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.690 -3.946 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.370 -3.063 7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.180 -1.029 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.665 -0.629 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.177 0.194 7.754 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.563 0.628 3.669 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.660 0.840 2.559 1.00 0.00 C ATOM 1283 C PHE A 87 -10.231 0.826 3.082 1.00 0.00 C ATOM 1284 O PHE A 87 -9.994 1.244 4.222 1.00 0.00 O ATOM 1285 CB PHE A 87 -11.989 2.155 1.846 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.432 2.222 1.397 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -13.867 1.445 0.310 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.359 2.996 2.116 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.230 1.413 -0.032 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -15.710 3.001 1.738 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.153 2.198 0.674 1.00 0.00 C ATOM 0 H PHE A 87 -12.299 1.141 4.510 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.774 0.042 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.780 2.990 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.336 2.269 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.153 0.872 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.032 3.586 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.567 0.782 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.414 3.626 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.198 2.185 0.401 1.00 0.00 H new ATOM 1301 N MET A 88 -9.284 0.382 2.255 1.00 0.00 N ATOM 1302 CA MET A 88 -7.864 0.606 2.452 1.00 0.00 C ATOM 1303 C MET A 88 -7.285 0.983 1.095 1.00 0.00 C ATOM 1304 O MET A 88 -7.799 0.562 0.059 1.00 0.00 O ATOM 1305 CB MET A 88 -7.162 -0.640 3.001 1.00 0.00 C ATOM 1306 CG MET A 88 -7.627 -1.027 4.406 1.00 0.00 C ATOM 1307 SD MET A 88 -6.546 -2.200 5.270 1.00 0.00 S ATOM 1308 CE MET A 88 -6.833 -3.731 4.352 1.00 0.00 C ATOM 0 H MET A 88 -9.494 -0.154 1.413 1.00 0.00 H new ATOM 0 HA MET A 88 -7.710 1.397 3.186 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.339 -1.476 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.086 -0.465 3.017 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.712 -0.122 5.007 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.626 -1.458 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.158 -4.512 5.039 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.604 -3.565 3.600 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.910 -4.040 3.863 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.202 1.749 1.107 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.625 2.396 -0.052 1.00 0.00 C ATOM 1320 C VAL A 89 -4.208 1.829 -0.180 1.00 0.00 C ATOM 1321 O VAL A 89 -3.332 2.087 0.648 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.709 3.921 0.176 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -4.972 4.779 -0.855 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -7.168 4.411 0.169 1.00 0.00 C ATOM 0 H VAL A 89 -5.683 1.941 1.964 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.140 2.210 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.226 4.048 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.093 5.833 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.912 4.524 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.385 4.592 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.191 5.488 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.625 4.180 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.723 3.912 0.963 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.985 1.011 -1.209 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.676 0.522 -1.625 1.00 0.00 C ATOM 1336 C ARG A 90 -2.180 1.447 -2.715 1.00 0.00 C ATOM 1337 O ARG A 90 -2.950 1.744 -3.632 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.783 -0.930 -2.126 1.00 0.00 C ATOM 1339 CG ARG A 90 -3.259 -1.875 -1.008 1.00 0.00 C ATOM 1340 CD ARG A 90 -3.702 -3.227 -1.568 1.00 0.00 C ATOM 1341 NE ARG A 90 -4.099 -4.134 -0.479 1.00 0.00 N ATOM 1342 CZ ARG A 90 -4.089 -5.469 -0.545 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -3.871 -6.077 -1.704 1.00 0.00 N ATOM 1344 NH2 ARG A 90 -4.294 -6.188 0.550 1.00 0.00 N ATOM 0 H ARG A 90 -4.742 0.659 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.974 0.518 -0.791 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.477 -0.977 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.813 -1.261 -2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.454 -2.024 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.087 -1.414 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.537 -3.086 -2.254 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.890 -3.673 -2.142 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.406 -3.710 0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.711 -5.526 -2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.864 -7.096 -1.752 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.459 -5.722 1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.286 -7.207 0.500 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.944 1.922 -2.657 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.306 2.548 -3.801 1.00 0.00 C ATOM 1360 C ALA A 91 0.336 1.418 -4.589 1.00 0.00 C ATOM 1361 O ALA A 91 1.036 0.587 -4.027 1.00 0.00 O ATOM 1362 CB ALA A 91 0.741 3.560 -3.351 1.00 0.00 C ATOM 0 H ALA A 91 -0.361 1.884 -1.821 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.026 3.097 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.206 4.016 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.264 4.333 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.503 3.055 -2.757 1.00 0.00 H new ATOM 1368 N ILE A 92 0.065 1.374 -5.885 1.00 0.00 N ATOM 1369 CA ILE A 92 0.742 0.487 -6.804 1.00 0.00 C ATOM 1370 C ILE A 92 1.996 1.192 -7.283 1.00 0.00 C ATOM 1371 O ILE A 92 2.011 2.413 -7.453 1.00 0.00 O ATOM 1372 CB ILE A 92 -0.237 0.084 -7.934 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.651 -1.355 -7.623 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.317 0.197 -9.360 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.614 -1.963 -8.637 1.00 0.00 C ATOM 0 H ILE A 92 -0.641 1.962 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 92 1.054 -0.447 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.072 0.785 -7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.244 -1.975 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.115 -1.382 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.449 -0.109 -10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.605 1.229 -9.558 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.188 -0.449 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.856 -2.984 -8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.527 -1.369 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.148 -1.971 -9.622 1.00 0.00 H new ATOM 1387 N ASN A 93 3.018 0.406 -7.587 1.00 0.00 N ATOM 1388 CA ASN A 93 4.299 0.862 -8.108 1.00 0.00 C ATOM 1389 C ASN A 93 4.786 -0.135 -9.185 1.00 0.00 C ATOM 1390 O ASN A 93 4.087 -1.126 -9.441 1.00 0.00 O ATOM 1391 CB ASN A 93 5.241 1.101 -6.908 1.00 0.00 C ATOM 1392 CG ASN A 93 6.272 0.017 -6.684 1.00 0.00 C ATOM 1393 OD1 ASN A 93 5.949 -1.156 -6.770 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.504 0.393 -6.406 1.00 0.00 N ATOM 0 H ASN A 93 2.976 -0.607 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 93 4.245 1.818 -8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.758 2.050 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.638 1.201 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.229 -0.308 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.733 1.385 -6.343 1.00 0.00 H new ATOM 1401 N PRO A 94 5.922 0.098 -9.868 1.00 0.00 N ATOM 1402 CA PRO A 94 6.451 -0.805 -10.892 1.00 0.00 C ATOM 1403 C PRO A 94 6.897 -2.200 -10.398 1.00 0.00 C ATOM 1404 O PRO A 94 7.460 -2.950 -11.196 1.00 0.00 O ATOM 1405 CB PRO A 94 7.629 -0.072 -11.545 1.00 0.00 C ATOM 1406 CG PRO A 94 7.432 1.395 -11.181 1.00 0.00 C ATOM 1407 CD PRO A 94 6.696 1.329 -9.847 1.00 0.00 C ATOM 0 HA PRO A 94 5.639 -1.029 -11.584 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.582 -0.446 -11.172 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.632 -0.214 -12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.384 1.918 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.849 1.922 -11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.399 1.332 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.046 2.195 -9.718 1.00 0.00 H new ATOM 1415 N GLN A 95 6.710 -2.543 -9.120 1.00 0.00 N ATOM 1416 CA GLN A 95 7.400 -3.637 -8.437 1.00 0.00 C ATOM 1417 C GLN A 95 6.478 -4.417 -7.492 1.00 0.00 C ATOM 1418 O GLN A 95 6.814 -5.529 -7.092 1.00 0.00 O ATOM 1419 CB GLN A 95 8.548 -2.979 -7.651 1.00 0.00 C ATOM 1420 CG GLN A 95 9.776 -3.815 -7.306 1.00 0.00 C ATOM 1421 CD GLN A 95 10.332 -4.509 -8.538 1.00 0.00 C ATOM 1422 OE1 GLN A 95 11.009 -3.918 -9.372 1.00 0.00 O ATOM 1423 NE2 GLN A 95 10.064 -5.790 -8.687 1.00 0.00 N ATOM 0 H GLN A 95 6.053 -2.050 -8.515 1.00 0.00 H new ATOM 0 HA GLN A 95 7.759 -4.369 -9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.887 -2.115 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.134 -2.600 -6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.543 -3.176 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.513 -4.559 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.500 -6.277 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.420 -6.294 -9.499 1.00 0.00 H new ATOM 1432 N GLY A 96 5.332 -3.854 -7.119 1.00 0.00 N ATOM 1433 CA GLY A 96 4.380 -4.409 -6.175 1.00 0.00 C ATOM 1434 C GLY A 96 3.403 -3.322 -5.743 1.00 0.00 C ATOM 1435 O GLY A 96 3.166 -2.353 -6.476 1.00 0.00 O ATOM 0 H GLY A 96 5.032 -2.952 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.840 -5.238 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.903 -4.809 -5.307 1.00 0.00 H new ATOM 1439 N LEU A 97 2.789 -3.492 -4.581 1.00 0.00 N ATOM 1440 CA LEU A 97 1.858 -2.562 -3.967 1.00 0.00 C ATOM 1441 C LEU A 97 2.310 -2.335 -2.518 1.00 0.00 C ATOM 1442 O LEU A 97 2.872 -3.248 -1.904 1.00 0.00 O ATOM 1443 CB LEU A 97 0.438 -3.129 -4.097 1.00 0.00 C ATOM 1444 CG LEU A 97 0.179 -4.461 -3.355 1.00 0.00 C ATOM 1445 CD1 LEU A 97 -0.259 -4.255 -1.902 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -0.861 -5.277 -4.124 1.00 0.00 C ATOM 0 H LEU A 97 2.936 -4.327 -4.013 1.00 0.00 H new ATOM 0 HA LEU A 97 1.846 -1.590 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.266 -2.384 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.220 -3.275 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 97 1.122 -5.007 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.426 -5.224 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.519 -3.718 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.182 -3.676 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.045 -6.216 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.790 -4.711 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.490 -5.486 -5.127 1.00 0.00 H new ATOM 1458 N SER A 98 2.099 -1.134 -1.987 1.00 0.00 N ATOM 1459 CA SER A 98 2.544 -0.718 -0.659 1.00 0.00 C ATOM 1460 C SER A 98 1.717 -1.388 0.454 1.00 0.00 C ATOM 1461 O SER A 98 0.690 -2.027 0.188 1.00 0.00 O ATOM 1462 CB SER A 98 2.595 0.816 -0.576 1.00 0.00 C ATOM 1463 OG SER A 98 1.396 1.438 -0.981 1.00 0.00 O ATOM 0 H SER A 98 1.597 -0.399 -2.485 1.00 0.00 H new ATOM 0 HA SER A 98 3.563 -1.069 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.820 1.110 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.413 1.179 -1.199 1.00 0.00 H new ATOM 0 HG SER A 98 1.360 2.348 -0.618 1.00 0.00 H new ATOM 1469 N ASP A 99 2.193 -1.297 1.700 1.00 0.00 N ATOM 1470 CA ASP A 99 1.492 -1.747 2.910 1.00 0.00 C ATOM 1471 C ASP A 99 0.030 -1.304 2.890 1.00 0.00 C ATOM 1472 O ASP A 99 -0.281 -0.249 2.337 1.00 0.00 O ATOM 1473 CB ASP A 99 2.124 -1.162 4.182 1.00 0.00 C ATOM 1474 CG ASP A 99 2.887 -2.175 5.026 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.851 -2.802 4.526 1.00 0.00 O ATOM 1476 OD2 ASP A 99 2.517 -2.292 6.216 1.00 0.00 O ATOM 0 H ASP A 99 3.108 -0.894 1.902 1.00 0.00 H new ATOM 0 HA ASP A 99 1.568 -2.834 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.803 -0.357 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.338 -0.717 4.792 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.884 -2.009 3.570 1.00 0.00 N ATOM 1482 CA PRO A 100 -2.236 -1.507 3.742 1.00 0.00 C ATOM 1483 C PRO A 100 -2.166 -0.166 4.490 1.00 0.00 C ATOM 1484 O PRO A 100 -1.401 -0.029 5.450 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.969 -2.598 4.528 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.855 -3.275 5.318 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.648 -3.179 4.394 1.00 0.00 C ATOM 0 HA PRO A 100 -2.763 -1.310 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.729 -2.177 5.186 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.475 -3.300 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.674 -2.771 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.101 -4.311 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.276 -3.078 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.549 -4.076 3.783 1.00 0.00 H new ATOM 1495 N SER A 101 -2.936 0.828 4.042 1.00 0.00 N ATOM 1496 CA SER A 101 -3.194 2.034 4.817 1.00 0.00 C ATOM 1497 C SER A 101 -3.906 1.663 6.130 1.00 0.00 C ATOM 1498 O SER A 101 -4.411 0.540 6.268 1.00 0.00 O ATOM 1499 CB SER A 101 -4.055 2.987 3.965 1.00 0.00 C ATOM 1500 OG SER A 101 -5.359 2.460 3.764 1.00 0.00 O ATOM 0 H SER A 101 -3.396 0.815 3.132 1.00 0.00 H new ATOM 0 HA SER A 101 -2.259 2.533 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.124 3.957 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.574 3.152 3.001 1.00 0.00 H new ATOM 0 HG SER A 101 -5.891 2.585 4.577 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.085 2.618 7.056 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.147 2.514 8.044 1.00 0.00 C ATOM 1508 C PRO A 102 -6.488 2.248 7.339 1.00 0.00 C ATOM 1509 O PRO A 102 -6.724 2.776 6.244 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.151 3.862 8.771 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.759 4.437 8.520 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.448 3.924 7.120 1.00 0.00 C ATOM 0 HA PRO A 102 -4.995 1.692 8.744 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.928 4.520 8.382 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.343 3.737 9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.754 5.526 8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.034 4.084 9.254 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.841 4.594 6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.373 3.849 6.955 1.00 0.00 H new ATOM 1520 N MET A 103 -7.377 1.457 7.946 1.00 0.00 N ATOM 1521 CA MET A 103 -8.755 1.338 7.495 1.00 0.00 C ATOM 1522 C MET A 103 -9.461 2.673 7.687 1.00 0.00 C ATOM 1523 O MET A 103 -9.266 3.354 8.690 1.00 0.00 O ATOM 1524 CB MET A 103 -9.471 0.228 8.280 1.00 0.00 C ATOM 1525 CG MET A 103 -9.005 -1.145 7.789 1.00 0.00 C ATOM 1526 SD MET A 103 -8.489 -2.329 9.061 1.00 0.00 S ATOM 1527 CE MET A 103 -10.096 -2.871 9.678 1.00 0.00 C ATOM 0 H MET A 103 -7.157 0.885 8.761 1.00 0.00 H new ATOM 0 HA MET A 103 -8.775 1.074 6.438 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.263 0.332 9.345 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.550 0.321 8.155 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.815 -1.594 7.214 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.171 -0.997 7.103 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.974 -3.326 10.661 1.00 0.00 H new ATOM 0 HE2 MET A 103 -10.764 -2.013 9.755 1.00 0.00 H new ATOM 0 HE3 MET A 103 -10.522 -3.602 8.991 1.00 0.00 H new ATOM 1537 N SER A 104 -10.345 3.011 6.755 1.00 0.00 N ATOM 1538 CA SER A 104 -11.125 4.245 6.722 1.00 0.00 C ATOM 1539 C SER A 104 -12.121 4.415 7.877 1.00 0.00 C ATOM 1540 O SER A 104 -12.797 5.440 7.946 1.00 0.00 O ATOM 1541 CB SER A 104 -11.867 4.217 5.380 1.00 0.00 C ATOM 1542 OG SER A 104 -12.839 3.176 5.352 1.00 0.00 O ATOM 0 H SER A 104 -10.548 2.402 5.962 1.00 0.00 H new ATOM 0 HA SER A 104 -10.450 5.093 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.354 5.177 5.210 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.153 4.074 4.569 1.00 0.00 H new ATOM 0 HG SER A 104 -13.482 3.310 6.079 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.225 3.422 8.764 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.343 3.133 9.666 1.00 0.00 C ATOM 1550 C ASP A 105 -14.563 2.659 8.849 1.00 0.00 C ATOM 1551 O ASP A 105 -14.664 3.008 7.665 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.671 4.346 10.558 1.00 0.00 C ATOM 1553 CG ASP A 105 -13.980 4.006 12.013 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -13.361 3.078 12.584 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.771 4.757 12.627 1.00 0.00 O ATOM 0 H ASP A 105 -11.470 2.746 8.879 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.056 2.326 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.828 5.037 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.526 4.871 10.133 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.456 1.823 9.415 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.591 1.270 8.696 1.00 0.00 C ATOM 1562 C PRO A 106 -17.622 2.361 8.419 1.00 0.00 C ATOM 1563 O PRO A 106 -18.329 2.789 9.337 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.157 0.125 9.538 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.443 0.187 10.880 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.378 1.270 10.754 1.00 0.00 C ATOM 0 HA PRO A 106 -16.293 0.879 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.234 0.232 9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.988 -0.836 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.143 0.423 11.681 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.991 -0.775 11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -15.538 2.050 11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.388 0.853 10.937 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.708 2.820 7.172 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.779 3.717 6.748 1.00 0.00 C ATOM 1576 C VAL A 107 -20.047 2.896 6.532 1.00 0.00 C ATOM 1577 O VAL A 107 -19.983 1.675 6.394 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.353 4.487 5.481 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -18.411 3.652 4.194 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -19.147 5.787 5.286 1.00 0.00 C ATOM 0 H VAL A 107 -17.044 2.583 6.434 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.983 4.463 7.516 1.00 0.00 H new ATOM 0 HB VAL A 107 -17.307 4.734 5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.097 4.264 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.746 2.793 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.431 3.305 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.807 6.289 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -20.208 5.555 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -18.990 6.441 6.144 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.185 3.575 6.388 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.468 2.994 6.020 1.00 0.00 C ATOM 1592 C ARG A 108 -23.011 3.759 4.826 1.00 0.00 C ATOM 1593 O ARG A 108 -23.081 4.990 4.880 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.416 3.143 7.213 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.755 2.400 7.043 1.00 0.00 C ATOM 1596 CD ARG A 108 -25.909 3.313 7.465 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.976 2.608 8.194 1.00 0.00 N ATOM 1598 CZ ARG A 108 -27.272 2.776 9.491 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -26.742 3.767 10.205 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -28.100 1.921 10.072 1.00 0.00 N ATOM 0 H ARG A 108 -21.236 4.584 6.531 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.367 1.940 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -22.918 2.773 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -23.617 4.202 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.882 2.093 6.005 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.757 1.492 7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -25.518 4.114 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.334 3.782 6.578 1.00 0.00 H new ATOM 0 HE ARG A 108 -27.536 1.936 7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -26.094 4.421 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.984 3.872 11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.500 1.152 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.338 2.031 11.058 1.00 0.00 H new ATOM 1614 N THR A 109 -23.407 3.053 3.772 1.00 0.00 N ATOM 1615 CA THR A 109 -24.114 3.668 2.658 1.00 0.00 C ATOM 1616 C THR A 109 -25.485 4.186 3.103 1.00 0.00 C ATOM 1617 O THR A 109 -26.018 3.758 4.130 1.00 0.00 O ATOM 1618 CB THR A 109 -24.252 2.656 1.517 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.672 1.394 1.999 1.00 0.00 O ATOM 1620 CG2 THR A 109 -22.930 2.472 0.773 1.00 0.00 C ATOM 0 H THR A 109 -23.249 2.051 3.667 1.00 0.00 H new ATOM 0 HA THR A 109 -23.540 4.524 2.301 1.00 0.00 H new ATOM 0 HB THR A 109 -25.002 3.057 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.633 0.737 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.062 1.747 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.613 3.426 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.170 2.111 1.466 1.00 0.00 H new ATOM 1628 N GLN A 110 -26.058 5.102 2.319 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.373 5.669 2.584 1.00 0.00 C ATOM 1630 C GLN A 110 -28.474 4.751 2.034 1.00 0.00 C ATOM 1631 O GLN A 110 -28.224 3.646 1.538 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.458 7.109 2.037 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.388 8.024 2.667 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.971 9.216 3.426 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.736 9.035 4.368 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.589 10.436 3.083 1.00 0.00 N ATOM 0 H GLN A 110 -25.615 5.471 1.477 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.530 5.734 3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.333 7.095 0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.449 7.516 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -25.774 7.435 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.728 8.392 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.952 10.569 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.931 11.243 3.605 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.708 5.219 2.169 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.933 4.528 1.788 1.00 0.00 C ATOM 1647 C ASP A 111 -31.168 4.568 0.269 1.00 0.00 C ATOM 1648 O ASP A 111 -30.676 5.456 -0.423 1.00 0.00 O ATOM 1649 CB ASP A 111 -32.108 5.185 2.525 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.728 6.317 1.701 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -32.162 7.434 1.709 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.732 6.062 0.998 1.00 0.00 O ATOM 0 H ASP A 111 -29.891 6.140 2.568 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.845 3.478 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -32.868 4.434 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -31.764 5.577 3.482 1.00 0.00 H new