USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 521 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 69 SER OG : rot -85:sc= 0.157 USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0.148 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-9.4!) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-2.1!) USER MOD Single : A 24 CYS SG : rot 76:sc= 0.00263 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.71 USER MOD Single : A 35 SER OG : rot 132:sc= -0.233 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.139 F(o=-0.93,f=-0.14) USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= -0.439 (180deg=-2.33!) USER MOD Single : A 56 THR OG1 : rot -52:sc= 0.0468 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.027) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.462 USER MOD Single : A 73 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.42) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.572 -2.440 6.583 1.00 0.00 N ATOM 158 CA ALA A 11 -7.413 -1.191 5.847 1.00 0.00 C ATOM 159 C ALA A 11 -7.692 -1.396 4.365 1.00 0.00 C ATOM 160 O ALA A 11 -7.241 -2.373 3.767 1.00 0.00 O ATOM 161 CB ALA A 11 -6.017 -0.623 6.042 1.00 0.00 C ATOM 0 HA ALA A 11 -8.137 -0.478 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.922 0.308 5.484 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.847 -0.430 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.279 -1.339 5.681 1.00 0.00 H new ATOM 167 N THR A 12 -8.434 -0.469 3.776 1.00 0.00 N ATOM 168 CA THR A 12 -8.769 -0.547 2.362 1.00 0.00 C ATOM 169 C THR A 12 -8.591 0.813 1.698 1.00 0.00 C ATOM 170 O THR A 12 -9.025 1.835 2.232 1.00 0.00 O ATOM 171 CB THR A 12 -10.204 -1.047 2.181 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.879 -1.108 3.426 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.280 -2.422 1.551 1.00 0.00 C ATOM 0 H THR A 12 -8.815 0.346 4.256 1.00 0.00 H new ATOM 0 HA THR A 12 -8.093 -1.256 1.884 1.00 0.00 H new ATOM 0 HB THR A 12 -10.678 -0.328 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.795 -1.428 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.324 -2.719 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.813 -2.397 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.758 -3.141 2.182 1.00 0.00 H new ATOM 181 N PHE A 13 -7.951 0.823 0.536 1.00 0.00 N ATOM 182 CA PHE A 13 -7.719 2.062 -0.193 1.00 0.00 C ATOM 183 C PHE A 13 -8.646 2.163 -1.399 1.00 0.00 C ATOM 184 O PHE A 13 -8.307 1.720 -2.493 1.00 0.00 O ATOM 185 CB PHE A 13 -6.261 2.146 -0.650 1.00 0.00 C ATOM 186 CG PHE A 13 -5.932 3.434 -1.346 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.336 4.650 -0.815 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.218 3.428 -2.529 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.033 5.835 -1.459 1.00 0.00 C ATOM 190 CE2 PHE A 13 -4.911 4.607 -3.177 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.320 5.813 -2.642 1.00 0.00 C ATOM 0 H PHE A 13 -7.584 -0.012 0.079 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.930 2.894 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.609 2.032 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.049 1.314 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.893 4.671 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.896 2.488 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.353 6.777 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.352 4.587 -4.101 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.083 6.737 -3.148 1.00 0.00 H new ATOM 201 N SER A 14 -9.818 2.752 -1.194 1.00 0.00 N ATOM 202 CA SER A 14 -10.786 2.906 -2.271 1.00 0.00 C ATOM 203 C SER A 14 -10.341 3.985 -3.252 1.00 0.00 C ATOM 204 O SER A 14 -10.592 5.172 -3.043 1.00 0.00 O ATOM 205 CB SER A 14 -12.164 3.248 -1.703 1.00 0.00 C ATOM 206 OG SER A 14 -13.128 3.361 -2.735 1.00 0.00 O ATOM 0 H SER A 14 -10.120 3.129 -0.296 1.00 0.00 H new ATOM 0 HA SER A 14 -10.850 1.959 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.471 2.476 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.110 4.184 -1.148 1.00 0.00 H new ATOM 0 HG SER A 14 -14.000 3.579 -2.345 1.00 0.00 H new ATOM 212 N LEU A 15 -9.678 3.563 -4.326 1.00 0.00 N ATOM 213 CA LEU A 15 -9.199 4.488 -5.346 1.00 0.00 C ATOM 214 C LEU A 15 -10.343 5.335 -5.894 1.00 0.00 C ATOM 215 O LEU A 15 -10.163 6.508 -6.218 1.00 0.00 O ATOM 216 CB LEU A 15 -8.531 3.718 -6.487 1.00 0.00 C ATOM 217 CG LEU A 15 -7.058 4.049 -6.726 1.00 0.00 C ATOM 218 CD1 LEU A 15 -6.523 3.251 -7.905 1.00 0.00 C ATOM 219 CD2 LEU A 15 -6.871 5.541 -6.962 1.00 0.00 C ATOM 0 H LEU A 15 -9.461 2.584 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.468 5.151 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.618 2.651 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.083 3.912 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.495 3.774 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.473 3.497 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.619 2.185 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.093 3.498 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.815 5.753 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.446 5.846 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.218 6.094 -6.089 1.00 0.00 H new ATOM 231 N GLY A 16 -11.521 4.728 -5.993 1.00 0.00 N ATOM 232 CA GLY A 16 -12.679 5.439 -6.501 1.00 0.00 C ATOM 233 C GLY A 16 -12.857 5.260 -7.997 1.00 0.00 C ATOM 234 O GLY A 16 -13.055 6.232 -8.726 1.00 0.00 O ATOM 0 H GLY A 16 -11.694 3.758 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.573 5.086 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.579 6.500 -6.274 1.00 0.00 H new ATOM 238 N LYS A 17 -12.784 4.014 -8.457 1.00 0.00 N ATOM 239 CA LYS A 17 -12.936 3.710 -9.875 1.00 0.00 C ATOM 240 C LYS A 17 -11.888 4.448 -10.707 1.00 0.00 C ATOM 241 O LYS A 17 -12.221 5.180 -11.641 1.00 0.00 O ATOM 242 CB LYS A 17 -14.343 4.081 -10.353 1.00 0.00 C ATOM 243 CG LYS A 17 -14.754 3.380 -11.639 1.00 0.00 C ATOM 244 CD LYS A 17 -16.230 3.014 -11.624 1.00 0.00 C ATOM 245 CE LYS A 17 -16.719 2.600 -13.004 1.00 0.00 C ATOM 246 NZ LYS A 17 -17.325 1.238 -12.999 1.00 0.00 N ATOM 0 H LYS A 17 -12.620 3.198 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.788 2.638 -10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -15.060 3.835 -9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.394 5.159 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.547 4.028 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.155 2.479 -11.771 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -16.396 2.199 -10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.813 3.865 -11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -17.454 3.322 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.885 2.623 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.644 0.997 -13.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.617 0.544 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.137 1.222 -12.350 1.00 0.00 H new ATOM 260 N HIS A 18 -10.617 4.256 -10.359 1.00 0.00 N ATOM 261 CA HIS A 18 -9.518 4.907 -11.069 1.00 0.00 C ATOM 262 C HIS A 18 -8.776 3.916 -11.964 1.00 0.00 C ATOM 263 O HIS A 18 -8.955 2.705 -11.841 1.00 0.00 O ATOM 264 CB HIS A 18 -8.540 5.531 -10.069 1.00 0.00 C ATOM 265 CG HIS A 18 -8.700 7.011 -9.920 1.00 0.00 C ATOM 266 ND1 HIS A 18 -9.664 7.734 -10.585 1.00 0.00 N ATOM 267 CD2 HIS A 18 -8.010 7.905 -9.173 1.00 0.00 C ATOM 268 CE1 HIS A 18 -9.564 9.009 -10.257 1.00 0.00 C ATOM 269 NE2 HIS A 18 -8.568 9.139 -9.401 1.00 0.00 N ATOM 0 H HIS A 18 -10.323 3.655 -9.589 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.942 5.689 -11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.678 5.059 -9.096 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.520 5.314 -10.387 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.177 7.688 -8.520 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.190 9.808 -10.626 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -8.262 10.015 -8.977 1.00 0.00 H new ATOM 277 N PRO A 19 -7.923 4.421 -12.877 1.00 0.00 N ATOM 278 CA PRO A 19 -7.147 3.572 -13.790 1.00 0.00 C ATOM 279 C PRO A 19 -6.185 2.657 -13.043 1.00 0.00 C ATOM 280 O PRO A 19 -6.137 1.456 -13.298 1.00 0.00 O ATOM 281 CB PRO A 19 -6.369 4.575 -14.651 1.00 0.00 C ATOM 282 CG PRO A 19 -6.354 5.836 -13.858 1.00 0.00 C ATOM 283 CD PRO A 19 -7.643 5.853 -13.088 1.00 0.00 C ATOM 0 HA PRO A 19 -7.789 2.908 -14.369 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.357 4.222 -14.850 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.851 4.723 -15.617 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.497 5.864 -13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.277 6.706 -14.510 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.542 6.388 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.441 6.342 -13.647 1.00 0.00 H new ATOM 291 N HIS A 20 -5.426 3.242 -12.117 1.00 0.00 N ATOM 292 CA HIS A 20 -4.459 2.499 -11.309 1.00 0.00 C ATOM 293 C HIS A 20 -3.638 3.458 -10.449 1.00 0.00 C ATOM 294 O HIS A 20 -3.918 4.657 -10.408 1.00 0.00 O ATOM 295 CB HIS A 20 -3.543 1.634 -12.190 1.00 0.00 C ATOM 296 CG HIS A 20 -2.427 2.391 -12.832 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.439 3.014 -12.108 1.00 0.00 N ATOM 298 CD2 HIS A 20 -2.144 2.628 -14.134 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.597 3.602 -12.928 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.999 3.384 -14.168 1.00 0.00 N ATOM 0 H HIS A 20 -5.463 4.239 -11.906 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.012 1.828 -10.651 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.123 0.833 -11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.144 1.163 -12.968 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.712 2.286 -14.986 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.276 4.168 -12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.535 3.722 -15.011 1.00 0.00 H new ATOM 308 N VAL A 21 -2.631 2.931 -9.759 1.00 0.00 N ATOM 309 CA VAL A 21 -1.788 3.764 -8.902 1.00 0.00 C ATOM 310 C VAL A 21 -0.327 3.354 -8.940 1.00 0.00 C ATOM 311 O VAL A 21 0.012 2.214 -9.258 1.00 0.00 O ATOM 312 CB VAL A 21 -2.233 3.706 -7.432 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.483 4.539 -7.207 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.442 2.262 -6.998 1.00 0.00 C ATOM 0 H VAL A 21 -2.379 1.943 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.899 4.773 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.442 4.133 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.776 4.480 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.280 5.577 -7.469 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.291 4.158 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.757 2.238 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.210 1.803 -7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.508 1.710 -7.108 1.00 0.00 H new ATOM 324 N GLU A 22 0.531 4.297 -8.572 1.00 0.00 N ATOM 325 CA GLU A 22 1.956 4.064 -8.510 1.00 0.00 C ATOM 326 C GLU A 22 2.358 3.827 -7.057 1.00 0.00 C ATOM 327 O GLU A 22 1.719 4.346 -6.144 1.00 0.00 O ATOM 328 CB GLU A 22 2.708 5.268 -9.070 1.00 0.00 C ATOM 329 CG GLU A 22 2.905 5.229 -10.579 1.00 0.00 C ATOM 330 CD GLU A 22 1.948 6.141 -11.319 1.00 0.00 C ATOM 331 OE1 GLU A 22 0.722 6.002 -11.120 1.00 0.00 O ATOM 332 OE2 GLU A 22 2.422 6.994 -12.097 1.00 0.00 O ATOM 0 H GLU A 22 0.252 5.242 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 22 2.209 3.188 -9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.165 6.176 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.684 5.330 -8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.930 5.517 -10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.772 4.206 -10.932 1.00 0.00 H new ATOM 339 N LEU A 23 3.399 3.033 -6.848 1.00 0.00 N ATOM 340 CA LEU A 23 3.873 2.714 -5.499 1.00 0.00 C ATOM 341 C LEU A 23 3.822 3.923 -4.568 1.00 0.00 C ATOM 342 O LEU A 23 3.239 3.856 -3.486 1.00 0.00 O ATOM 343 CB LEU A 23 5.298 2.167 -5.559 1.00 0.00 C ATOM 344 CG LEU A 23 5.404 0.652 -5.398 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.169 0.035 -6.557 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.064 0.297 -4.076 1.00 0.00 C ATOM 0 H LEU A 23 3.936 2.594 -7.596 1.00 0.00 H new ATOM 0 HA LEU A 23 3.203 1.956 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.742 2.450 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.890 2.645 -4.778 1.00 0.00 H new ATOM 0 HG LEU A 23 4.394 0.242 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.231 -1.044 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.651 0.252 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.175 0.454 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.130 -0.787 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.066 0.725 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.471 0.698 -3.254 1.00 0.00 H new ATOM 358 N CYS A 24 4.436 5.022 -4.986 1.00 0.00 N ATOM 359 CA CYS A 24 4.449 6.230 -4.172 1.00 0.00 C ATOM 360 C CYS A 24 3.031 6.734 -3.930 1.00 0.00 C ATOM 361 O CYS A 24 2.734 7.307 -2.881 1.00 0.00 O ATOM 362 CB CYS A 24 5.288 7.319 -4.840 1.00 0.00 C ATOM 363 SG CYS A 24 5.558 8.779 -3.807 1.00 0.00 S ATOM 0 H CYS A 24 4.928 5.102 -5.876 1.00 0.00 H new ATOM 0 HA CYS A 24 4.898 5.984 -3.210 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.255 6.899 -5.117 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.797 7.626 -5.764 1.00 0.00 H new ATOM 0 HG CYS A 24 6.454 8.512 -2.904 1.00 0.00 H new ATOM 369 N ASP A 25 2.156 6.514 -4.905 1.00 0.00 N ATOM 370 CA ASP A 25 0.768 6.945 -4.796 1.00 0.00 C ATOM 371 C ASP A 25 0.025 6.132 -3.741 1.00 0.00 C ATOM 372 O ASP A 25 -0.503 6.684 -2.779 1.00 0.00 O ATOM 373 CB ASP A 25 0.058 6.820 -6.147 1.00 0.00 C ATOM 374 CG ASP A 25 0.786 7.555 -7.256 1.00 0.00 C ATOM 375 OD1 ASP A 25 2.025 7.687 -7.168 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.118 8.002 -8.211 1.00 0.00 O ATOM 0 H ASP A 25 2.383 6.040 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 25 0.766 7.991 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.031 5.766 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.955 7.213 -6.059 1.00 0.00 H new ATOM 381 N LEU A 26 -0.016 4.814 -3.930 1.00 0.00 N ATOM 382 CA LEU A 26 -0.703 3.923 -2.998 1.00 0.00 C ATOM 383 C LEU A 26 -0.242 4.139 -1.561 1.00 0.00 C ATOM 384 O LEU A 26 -1.060 4.252 -0.649 1.00 0.00 O ATOM 385 CB LEU A 26 -0.477 2.461 -3.390 1.00 0.00 C ATOM 386 CG LEU A 26 -1.584 1.508 -2.944 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.692 1.469 -3.984 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.028 0.116 -2.684 1.00 0.00 C ATOM 0 H LEU A 26 0.419 4.340 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.766 4.158 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.377 2.400 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.468 2.125 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.004 1.876 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.476 0.786 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.110 2.468 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.286 1.125 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.835 -0.545 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.578 -0.272 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.272 0.167 -1.900 1.00 0.00 H new ATOM 400 N LEU A 27 1.068 4.183 -1.363 1.00 0.00 N ATOM 401 CA LEU A 27 1.634 4.368 -0.033 1.00 0.00 C ATOM 402 C LEU A 27 1.278 5.739 0.548 1.00 0.00 C ATOM 403 O LEU A 27 0.674 5.832 1.615 1.00 0.00 O ATOM 404 CB LEU A 27 3.156 4.205 -0.083 1.00 0.00 C ATOM 405 CG LEU A 27 3.658 2.758 -0.167 1.00 0.00 C ATOM 406 CD1 LEU A 27 4.885 2.669 -1.059 1.00 0.00 C ATOM 407 CD2 LEU A 27 3.968 2.222 1.222 1.00 0.00 C ATOM 0 H LEU A 27 1.760 4.093 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 27 1.205 3.606 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.536 4.754 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.584 4.670 0.805 1.00 0.00 H new ATOM 0 HG LEU A 27 2.871 2.145 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.226 1.635 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.632 3.014 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.678 3.295 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.323 1.194 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.738 2.838 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.065 2.249 1.832 1.00 0.00 H new ATOM 419 N LYS A 28 1.667 6.798 -0.153 1.00 0.00 N ATOM 420 CA LYS A 28 1.402 8.163 0.302 1.00 0.00 C ATOM 421 C LYS A 28 -0.089 8.406 0.529 1.00 0.00 C ATOM 422 O LYS A 28 -0.504 8.795 1.621 1.00 0.00 O ATOM 423 CB LYS A 28 1.946 9.171 -0.715 1.00 0.00 C ATOM 424 CG LYS A 28 2.331 10.512 -0.103 1.00 0.00 C ATOM 425 CD LYS A 28 1.167 11.490 -0.121 1.00 0.00 C ATOM 426 CE LYS A 28 0.438 11.514 1.214 1.00 0.00 C ATOM 427 NZ LYS A 28 0.763 12.731 2.010 1.00 0.00 N ATOM 0 H LYS A 28 2.168 6.740 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 28 1.910 8.297 1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.819 8.742 -1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.194 9.336 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.665 10.362 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.172 10.936 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.534 12.490 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.470 11.213 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.637 11.472 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.703 10.625 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.244 12.705 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.785 12.759 2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.487 13.579 1.476 1.00 0.00 H new ATOM 441 N LEU A 29 -0.891 8.195 -0.511 1.00 0.00 N ATOM 442 CA LEU A 29 -2.336 8.413 -0.426 1.00 0.00 C ATOM 443 C LEU A 29 -2.952 7.707 0.779 1.00 0.00 C ATOM 444 O LEU A 29 -3.851 8.241 1.428 1.00 0.00 O ATOM 445 CB LEU A 29 -3.023 7.936 -1.708 1.00 0.00 C ATOM 446 CG LEU A 29 -3.713 9.029 -2.522 1.00 0.00 C ATOM 447 CD1 LEU A 29 -4.703 9.794 -1.660 1.00 0.00 C ATOM 448 CD2 LEU A 29 -2.684 9.973 -3.126 1.00 0.00 C ATOM 0 H LEU A 29 -0.567 7.873 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.492 9.485 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.280 7.449 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.762 7.180 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.264 8.557 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.184 10.568 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.459 9.108 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.177 10.256 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.193 10.745 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.105 10.438 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.016 9.413 -3.780 1.00 0.00 H new ATOM 460 N GLU A 30 -2.482 6.498 1.066 1.00 0.00 N ATOM 461 CA GLU A 30 -3.010 5.723 2.184 1.00 0.00 C ATOM 462 C GLU A 30 -2.439 6.182 3.523 1.00 0.00 C ATOM 463 O GLU A 30 -2.896 5.742 4.577 1.00 0.00 O ATOM 464 CB GLU A 30 -2.723 4.237 1.985 1.00 0.00 C ATOM 465 CG GLU A 30 -3.894 3.471 1.397 1.00 0.00 C ATOM 466 CD GLU A 30 -4.803 2.899 2.470 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.295 2.577 3.564 1.00 0.00 O ATOM 468 OE2 GLU A 30 -6.019 2.776 2.216 1.00 0.00 O ATOM 0 H GLU A 30 -1.739 6.034 0.543 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.087 5.888 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.859 4.126 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.454 3.795 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.470 4.132 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.519 2.661 0.772 1.00 0.00 H new ATOM 475 N GLY A 31 -1.452 7.070 3.487 1.00 0.00 N ATOM 476 CA GLY A 31 -0.866 7.563 4.718 1.00 0.00 C ATOM 477 C GLY A 31 0.274 6.697 5.226 1.00 0.00 C ATOM 478 O GLY A 31 0.564 6.690 6.422 1.00 0.00 O ATOM 0 H GLY A 31 -1.049 7.455 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.500 8.577 4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.640 7.620 5.484 1.00 0.00 H new ATOM 482 N TRP A 32 0.927 5.973 4.323 1.00 0.00 N ATOM 483 CA TRP A 32 2.044 5.115 4.703 1.00 0.00 C ATOM 484 C TRP A 32 3.259 5.956 5.079 1.00 0.00 C ATOM 485 O TRP A 32 3.689 5.964 6.232 1.00 0.00 O ATOM 486 CB TRP A 32 2.408 4.172 3.558 1.00 0.00 C ATOM 487 CG TRP A 32 1.347 3.157 3.247 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.045 3.409 2.924 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.498 1.730 3.224 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.620 2.231 2.698 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.247 1.189 2.879 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.566 0.854 3.460 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.031 -0.178 2.766 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.344 -0.506 3.345 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.084 -1.007 3.002 1.00 0.00 C ATOM 0 H TRP A 32 0.704 5.963 3.328 1.00 0.00 H new ATOM 0 HA TRP A 32 1.739 4.524 5.567 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.606 4.762 2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.333 3.652 3.808 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.397 4.392 2.856 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.602 2.146 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.542 1.233 3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.940 -0.570 2.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.158 -1.193 3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.944 -2.075 2.923 1.00 0.00 H new ATOM 506 N SER A 33 3.802 6.669 4.097 1.00 0.00 N ATOM 507 CA SER A 33 4.963 7.522 4.322 1.00 0.00 C ATOM 508 C SER A 33 4.537 8.976 4.463 1.00 0.00 C ATOM 509 O SER A 33 3.565 9.408 3.842 1.00 0.00 O ATOM 510 CB SER A 33 5.957 7.390 3.169 1.00 0.00 C ATOM 511 OG SER A 33 7.216 7.938 3.516 1.00 0.00 O ATOM 0 H SER A 33 3.456 6.673 3.137 1.00 0.00 H new ATOM 0 HA SER A 33 5.445 7.201 5.245 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.075 6.339 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.566 7.898 2.288 1.00 0.00 H new ATOM 0 HG SER A 33 7.835 7.840 2.762 1.00 0.00 H new ATOM 517 N GLU A 34 5.265 9.730 5.276 1.00 0.00 N ATOM 518 CA GLU A 34 4.942 11.133 5.480 1.00 0.00 C ATOM 519 C GLU A 34 5.268 11.947 4.233 1.00 0.00 C ATOM 520 O GLU A 34 4.555 12.893 3.895 1.00 0.00 O ATOM 521 CB GLU A 34 5.716 11.675 6.682 1.00 0.00 C ATOM 522 CG GLU A 34 5.112 12.933 7.276 1.00 0.00 C ATOM 523 CD GLU A 34 5.943 13.494 8.412 1.00 0.00 C ATOM 524 OE1 GLU A 34 6.491 12.693 9.199 1.00 0.00 O ATOM 525 OE2 GLU A 34 6.046 14.735 8.517 1.00 0.00 O ATOM 0 H GLU A 34 6.075 9.397 5.799 1.00 0.00 H new ATOM 0 HA GLU A 34 3.873 11.220 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.761 10.905 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.742 11.883 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.012 13.688 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.108 12.714 7.638 1.00 0.00 H new ATOM 532 N SER A 35 6.333 11.561 3.538 1.00 0.00 N ATOM 533 CA SER A 35 6.730 12.246 2.314 1.00 0.00 C ATOM 534 C SER A 35 6.412 11.398 1.084 1.00 0.00 C ATOM 535 O SER A 35 5.664 11.820 0.201 1.00 0.00 O ATOM 536 CB SER A 35 8.216 12.603 2.351 1.00 0.00 C ATOM 537 OG SER A 35 9.024 11.507 1.966 1.00 0.00 O ATOM 0 H SER A 35 6.935 10.780 3.801 1.00 0.00 H new ATOM 0 HA SER A 35 6.156 13.170 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.405 13.446 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.489 12.922 3.357 1.00 0.00 H new ATOM 0 HG SER A 35 9.683 11.803 1.304 1.00 0.00 H new ATOM 543 N GLY A 36 6.993 10.202 1.032 1.00 0.00 N ATOM 544 CA GLY A 36 6.772 9.310 -0.093 1.00 0.00 C ATOM 545 C GLY A 36 8.068 8.741 -0.644 1.00 0.00 C ATOM 546 O GLY A 36 8.064 7.727 -1.343 1.00 0.00 O ATOM 0 H GLY A 36 7.615 9.834 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.122 8.492 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.250 9.849 -0.884 1.00 0.00 H new ATOM 550 N ALA A 37 9.178 9.401 -0.329 1.00 0.00 N ATOM 551 CA ALA A 37 10.492 8.963 -0.791 1.00 0.00 C ATOM 552 C ALA A 37 11.576 9.221 0.260 1.00 0.00 C ATOM 553 O ALA A 37 12.739 8.870 0.058 1.00 0.00 O ATOM 554 CB ALA A 37 10.851 9.659 -2.095 1.00 0.00 C ATOM 0 H ALA A 37 9.194 10.243 0.246 1.00 0.00 H new ATOM 0 HA ALA A 37 10.441 7.887 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.833 9.323 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.108 9.416 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.870 10.738 -1.939 1.00 0.00 H new ATOM 560 N GLN A 38 11.188 9.834 1.378 1.00 0.00 N ATOM 561 CA GLN A 38 12.125 10.137 2.454 1.00 0.00 C ATOM 562 C GLN A 38 12.753 8.856 2.988 1.00 0.00 C ATOM 563 O GLN A 38 13.912 8.555 2.704 1.00 0.00 O ATOM 564 CB GLN A 38 11.405 10.886 3.579 1.00 0.00 C ATOM 565 CG GLN A 38 12.270 11.145 4.802 1.00 0.00 C ATOM 566 CD GLN A 38 13.039 12.448 4.708 1.00 0.00 C ATOM 567 OE1 GLN A 38 12.459 13.533 4.779 1.00 0.00 O ATOM 568 NE2 GLN A 38 14.353 12.348 4.547 1.00 0.00 N ATOM 0 H GLN A 38 10.229 10.130 1.560 1.00 0.00 H new ATOM 0 HA GLN A 38 12.919 10.771 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.044 11.840 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.529 10.312 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.639 11.163 5.691 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.973 10.321 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.792 11.429 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.924 13.190 4.477 1.00 0.00 H new ATOM 577 N ALA A 39 11.977 8.098 3.755 1.00 0.00 N ATOM 578 CA ALA A 39 12.456 6.843 4.317 1.00 0.00 C ATOM 579 C ALA A 39 12.557 5.752 3.248 1.00 0.00 C ATOM 580 O ALA A 39 12.683 4.572 3.570 1.00 0.00 O ATOM 581 CB ALA A 39 11.539 6.394 5.444 1.00 0.00 C ATOM 0 H ALA A 39 11.015 8.331 4.001 1.00 0.00 H new ATOM 0 HA ALA A 39 13.457 7.012 4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.905 5.455 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.524 7.154 6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.530 6.251 5.057 1.00 0.00 H new ATOM 587 N LYS A 40 12.492 6.149 1.975 1.00 0.00 N ATOM 588 CA LYS A 40 12.568 5.201 0.870 1.00 0.00 C ATOM 589 C LYS A 40 11.340 4.295 0.851 1.00 0.00 C ATOM 590 O LYS A 40 11.358 3.223 0.248 1.00 0.00 O ATOM 591 CB LYS A 40 13.843 4.360 0.967 1.00 0.00 C ATOM 592 CG LYS A 40 15.106 5.187 1.154 1.00 0.00 C ATOM 593 CD LYS A 40 16.155 4.431 1.953 1.00 0.00 C ATOM 594 CE LYS A 40 17.555 4.955 1.677 1.00 0.00 C ATOM 595 NZ LYS A 40 18.487 3.871 1.257 1.00 0.00 N ATOM 0 H LYS A 40 12.387 7.122 1.688 1.00 0.00 H new ATOM 0 HA LYS A 40 12.595 5.768 -0.061 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.747 3.665 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.942 3.760 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.514 5.456 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.860 6.118 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.936 4.520 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.107 3.371 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.510 5.716 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.943 5.439 2.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.430 4.273 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.551 3.157 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.131 3.425 0.387 1.00 0.00 H new ATOM 609 N ILE A 41 10.269 4.745 1.504 1.00 0.00 N ATOM 610 CA ILE A 41 9.022 3.989 1.561 1.00 0.00 C ATOM 611 C ILE A 41 8.581 3.566 0.161 1.00 0.00 C ATOM 612 O ILE A 41 7.939 2.531 -0.017 1.00 0.00 O ATOM 613 CB ILE A 41 7.908 4.827 2.231 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.316 5.189 3.663 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.573 4.090 2.221 1.00 0.00 C ATOM 616 CD1 ILE A 41 8.517 3.986 4.558 1.00 0.00 C ATOM 0 H ILE A 41 10.242 5.634 2.003 1.00 0.00 H new ATOM 0 HA ILE A 41 9.199 3.094 2.158 1.00 0.00 H new ATOM 0 HB ILE A 41 7.779 5.744 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.239 5.768 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.551 5.832 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.813 4.708 2.700 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.279 3.885 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.672 3.150 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.804 4.319 5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.589 3.418 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.303 3.353 4.146 1.00 0.00 H new ATOM 628 N ALA A 42 8.942 4.372 -0.826 1.00 0.00 N ATOM 629 CA ALA A 42 8.596 4.086 -2.210 1.00 0.00 C ATOM 630 C ALA A 42 9.297 2.814 -2.693 1.00 0.00 C ATOM 631 O ALA A 42 8.696 1.733 -2.752 1.00 0.00 O ATOM 632 CB ALA A 42 8.964 5.269 -3.095 1.00 0.00 C ATOM 0 H ALA A 42 9.476 5.231 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 42 7.520 3.922 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.701 5.045 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.419 6.154 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.036 5.456 -3.025 1.00 0.00 H new ATOM 638 N ILE A 43 10.578 2.954 -3.025 1.00 0.00 N ATOM 639 CA ILE A 43 11.385 1.834 -3.496 1.00 0.00 C ATOM 640 C ILE A 43 11.253 0.631 -2.563 1.00 0.00 C ATOM 641 O ILE A 43 11.209 -0.517 -3.012 1.00 0.00 O ATOM 642 CB ILE A 43 12.876 2.218 -3.611 1.00 0.00 C ATOM 643 CG1 ILE A 43 13.047 3.545 -4.360 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.655 1.115 -4.310 1.00 0.00 C ATOM 645 CD1 ILE A 43 12.381 3.572 -5.719 1.00 0.00 C ATOM 0 H ILE A 43 11.082 3.840 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 43 11.010 1.570 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 43 13.271 2.343 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.638 4.351 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 43 14.111 3.747 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.704 1.401 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.570 0.191 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.250 0.961 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.546 4.543 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.806 2.790 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.310 3.403 -5.603 1.00 0.00 H new ATOM 657 N ALA A 44 11.191 0.901 -1.261 1.00 0.00 N ATOM 658 CA ALA A 44 11.066 -0.160 -0.268 1.00 0.00 C ATOM 659 C ALA A 44 9.778 -0.952 -0.469 1.00 0.00 C ATOM 660 O ALA A 44 9.821 -2.107 -0.892 1.00 0.00 O ATOM 661 CB ALA A 44 11.121 0.412 1.139 1.00 0.00 C ATOM 0 H ALA A 44 11.225 1.843 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 44 11.907 -0.841 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.026 -0.396 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.073 0.923 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.304 1.120 1.276 1.00 0.00 H new ATOM 667 N GLU A 45 8.629 -0.336 -0.149 1.00 0.00 N ATOM 668 CA GLU A 45 7.332 -1.002 -0.288 1.00 0.00 C ATOM 669 C GLU A 45 7.343 -1.950 -1.473 1.00 0.00 C ATOM 670 O GLU A 45 6.837 -3.069 -1.391 1.00 0.00 O ATOM 671 CB GLU A 45 6.204 0.015 -0.436 1.00 0.00 C ATOM 672 CG GLU A 45 4.818 -0.604 -0.303 1.00 0.00 C ATOM 673 CD GLU A 45 4.220 -1.025 -1.629 1.00 0.00 C ATOM 674 OE1 GLU A 45 4.664 -2.053 -2.180 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.304 -0.330 -2.115 1.00 0.00 O ATOM 0 H GLU A 45 8.575 0.619 0.206 1.00 0.00 H new ATOM 0 HA GLU A 45 7.154 -1.578 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.322 0.792 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.286 0.501 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.877 -1.472 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.152 0.113 0.177 1.00 0.00 H new ATOM 682 N GLY A 46 7.964 -1.514 -2.565 1.00 0.00 N ATOM 683 CA GLY A 46 8.066 -2.375 -3.725 1.00 0.00 C ATOM 684 C GLY A 46 8.775 -3.666 -3.368 1.00 0.00 C ATOM 685 O GLY A 46 8.143 -4.710 -3.217 1.00 0.00 O ATOM 0 H GLY A 46 8.392 -0.594 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.070 -2.595 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.609 -1.862 -4.519 1.00 0.00 H new ATOM 689 N GLN A 47 10.098 -3.588 -3.230 1.00 0.00 N ATOM 690 CA GLN A 47 10.918 -4.751 -2.889 1.00 0.00 C ATOM 691 C GLN A 47 10.386 -5.521 -1.668 1.00 0.00 C ATOM 692 O GLN A 47 10.872 -6.615 -1.374 1.00 0.00 O ATOM 693 CB GLN A 47 12.370 -4.322 -2.643 1.00 0.00 C ATOM 694 CG GLN A 47 12.544 -3.403 -1.444 1.00 0.00 C ATOM 695 CD GLN A 47 13.891 -2.707 -1.434 1.00 0.00 C ATOM 696 OE1 GLN A 47 14.074 -1.767 -2.353 1.00 0.00 O flip ATOM 697 NE2 GLN A 47 14.753 -3.008 -0.610 1.00 0.00 N flip ATOM 0 H GLN A 47 10.628 -2.725 -3.350 1.00 0.00 H new ATOM 0 HA GLN A 47 10.870 -5.429 -3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.982 -5.212 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.746 -3.817 -3.533 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.752 -2.654 -1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.432 -3.982 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.568 -3.738 0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.653 -2.528 -0.615 1.00 0.00 H new ATOM 706 N VAL A 48 9.399 -4.969 -0.955 1.00 0.00 N ATOM 707 CA VAL A 48 8.853 -5.655 0.217 1.00 0.00 C ATOM 708 C VAL A 48 7.941 -6.818 -0.201 1.00 0.00 C ATOM 709 O VAL A 48 8.446 -7.881 -0.558 1.00 0.00 O ATOM 710 CB VAL A 48 8.110 -4.694 1.170 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.678 -5.436 2.430 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.993 -3.505 1.523 1.00 0.00 C ATOM 0 H VAL A 48 8.970 -4.068 -1.164 1.00 0.00 H new ATOM 0 HA VAL A 48 9.702 -6.059 0.768 1.00 0.00 H new ATOM 0 HB VAL A 48 7.220 -4.318 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.155 -4.749 3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.013 -6.256 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.557 -5.834 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.453 -2.838 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.900 -3.858 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.258 -2.966 0.613 1.00 0.00 H new ATOM 722 N LYS A 49 6.610 -6.650 -0.164 1.00 0.00 N ATOM 723 CA LYS A 49 5.722 -7.749 -0.554 1.00 0.00 C ATOM 724 C LYS A 49 4.294 -7.278 -0.848 1.00 0.00 C ATOM 725 O LYS A 49 3.614 -6.748 0.030 1.00 0.00 O ATOM 726 CB LYS A 49 5.691 -8.809 0.557 1.00 0.00 C ATOM 727 CG LYS A 49 6.474 -10.070 0.227 1.00 0.00 C ATOM 728 CD LYS A 49 5.760 -10.913 -0.817 1.00 0.00 C ATOM 729 CE LYS A 49 6.229 -12.361 -0.787 1.00 0.00 C ATOM 730 NZ LYS A 49 7.701 -12.469 -0.591 1.00 0.00 N ATOM 0 H LYS A 49 6.139 -5.792 0.123 1.00 0.00 H new ATOM 0 HA LYS A 49 6.122 -8.173 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.091 -8.374 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.655 -9.079 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.465 -9.799 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.618 -10.657 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.685 -10.875 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.937 -10.493 -1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.717 -12.891 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.951 -12.851 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.077 -13.229 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.152 -11.568 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.904 -12.686 0.406 1.00 0.00 H new ATOM 744 N VAL A 50 3.829 -7.509 -2.081 1.00 0.00 N ATOM 745 CA VAL A 50 2.470 -7.142 -2.466 1.00 0.00 C ATOM 746 C VAL A 50 1.659 -8.408 -2.727 1.00 0.00 C ATOM 747 O VAL A 50 2.192 -9.386 -3.249 1.00 0.00 O ATOM 748 CB VAL A 50 2.455 -6.264 -3.734 1.00 0.00 C ATOM 749 CG1 VAL A 50 1.074 -5.670 -3.967 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.511 -5.169 -3.646 1.00 0.00 C ATOM 0 H VAL A 50 4.374 -7.947 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 50 2.033 -6.568 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 50 2.696 -6.898 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.090 -5.055 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.348 -6.474 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.794 -5.055 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.482 -4.562 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.310 -4.539 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.497 -5.622 -3.544 1.00 0.00 H new ATOM 760 N ASP A 51 0.381 -8.407 -2.353 1.00 0.00 N ATOM 761 CA ASP A 51 -0.465 -9.585 -2.556 1.00 0.00 C ATOM 762 C ASP A 51 -0.335 -10.113 -3.981 1.00 0.00 C ATOM 763 O ASP A 51 -1.002 -9.632 -4.897 1.00 0.00 O ATOM 764 CB ASP A 51 -1.929 -9.260 -2.249 1.00 0.00 C ATOM 765 CG ASP A 51 -2.455 -10.058 -1.070 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.763 -10.106 -0.032 1.00 0.00 O ATOM 767 OD2 ASP A 51 -3.558 -10.632 -1.185 1.00 0.00 O ATOM 0 H ASP A 51 -0.088 -7.615 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.126 -10.360 -1.868 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.027 -8.195 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.538 -9.468 -3.128 1.00 0.00 H new ATOM 772 N GLY A 52 0.533 -11.104 -4.157 1.00 0.00 N ATOM 773 CA GLY A 52 0.742 -11.678 -5.471 1.00 0.00 C ATOM 774 C GLY A 52 1.637 -10.819 -6.344 1.00 0.00 C ATOM 775 O GLY A 52 1.682 -11.001 -7.560 1.00 0.00 O ATOM 0 H GLY A 52 1.094 -11.519 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.185 -12.668 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.221 -11.811 -5.963 1.00 0.00 H new ATOM 779 N ALA A 53 2.349 -9.878 -5.727 1.00 0.00 N ATOM 780 CA ALA A 53 3.238 -8.996 -6.468 1.00 0.00 C ATOM 781 C ALA A 53 4.475 -8.629 -5.652 1.00 0.00 C ATOM 782 O ALA A 53 4.577 -7.526 -5.113 1.00 0.00 O ATOM 783 CB ALA A 53 2.491 -7.745 -6.902 1.00 0.00 C ATOM 0 H ALA A 53 2.326 -9.710 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 53 3.579 -9.530 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.166 -7.092 -7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.652 -8.025 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.119 -7.220 -6.022 1.00 0.00 H new ATOM 789 N VAL A 54 5.406 -9.564 -5.542 1.00 0.00 N ATOM 790 CA VAL A 54 6.625 -9.330 -4.784 1.00 0.00 C ATOM 791 C VAL A 54 7.721 -8.760 -5.684 1.00 0.00 C ATOM 792 O VAL A 54 8.737 -9.408 -5.930 1.00 0.00 O ATOM 793 CB VAL A 54 7.123 -10.634 -4.128 1.00 0.00 C ATOM 794 CG1 VAL A 54 7.448 -11.677 -5.188 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.327 -10.365 -3.239 1.00 0.00 C ATOM 0 H VAL A 54 5.341 -10.489 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 54 6.394 -8.607 -4.002 1.00 0.00 H new ATOM 0 HB VAL A 54 6.325 -11.029 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.798 -12.590 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.553 -11.895 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.227 -11.295 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.661 -11.299 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.134 -9.942 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.050 -9.661 -2.455 1.00 0.00 H new ATOM 805 N GLU A 55 7.502 -7.545 -6.181 1.00 0.00 N ATOM 806 CA GLU A 55 8.469 -6.894 -7.059 1.00 0.00 C ATOM 807 C GLU A 55 9.278 -5.847 -6.303 1.00 0.00 C ATOM 808 O GLU A 55 9.150 -5.715 -5.090 1.00 0.00 O ATOM 809 CB GLU A 55 7.752 -6.252 -8.249 1.00 0.00 C ATOM 810 CG GLU A 55 7.139 -7.264 -9.202 1.00 0.00 C ATOM 811 CD GLU A 55 8.184 -8.124 -9.882 1.00 0.00 C ATOM 812 OE1 GLU A 55 8.892 -7.605 -10.771 1.00 0.00 O ATOM 813 OE2 GLU A 55 8.298 -9.316 -9.525 1.00 0.00 O ATOM 0 H GLU A 55 6.665 -6.993 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 55 9.159 -7.653 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.968 -5.592 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.459 -5.630 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.448 -7.903 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.556 -6.739 -9.959 1.00 0.00 H new ATOM 820 N THR A 56 10.116 -5.111 -7.027 1.00 0.00 N ATOM 821 CA THR A 56 10.947 -4.082 -6.410 1.00 0.00 C ATOM 822 C THR A 56 11.109 -2.875 -7.327 1.00 0.00 C ATOM 823 O THR A 56 12.194 -2.303 -7.435 1.00 0.00 O ATOM 824 CB THR A 56 12.316 -4.656 -6.045 1.00 0.00 C ATOM 825 OG1 THR A 56 13.222 -3.623 -5.697 1.00 0.00 O ATOM 826 CG2 THR A 56 12.943 -5.463 -7.160 1.00 0.00 C ATOM 0 H THR A 56 10.237 -5.207 -8.035 1.00 0.00 H new ATOM 0 HA THR A 56 10.447 -3.748 -5.501 1.00 0.00 H new ATOM 0 HB THR A 56 12.133 -5.318 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.238 -2.948 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.912 -5.841 -6.835 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.293 -6.301 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.076 -4.830 -8.037 1.00 0.00 H new ATOM 834 N ARG A 57 10.023 -2.480 -7.979 1.00 0.00 N ATOM 835 CA ARG A 57 10.057 -1.333 -8.875 1.00 0.00 C ATOM 836 C ARG A 57 9.670 -0.060 -8.138 1.00 0.00 C ATOM 837 O ARG A 57 9.298 -0.095 -6.966 1.00 0.00 O ATOM 838 CB ARG A 57 9.128 -1.553 -10.068 1.00 0.00 C ATOM 839 CG ARG A 57 9.852 -2.080 -11.295 1.00 0.00 C ATOM 840 CD ARG A 57 9.467 -1.316 -12.549 1.00 0.00 C ATOM 841 NE ARG A 57 10.367 -1.620 -13.660 1.00 0.00 N ATOM 842 CZ ARG A 57 9.974 -1.758 -14.924 1.00 0.00 C ATOM 843 NH1 ARG A 57 8.706 -1.566 -15.263 1.00 0.00 N ATOM 844 NH2 ARG A 57 10.861 -2.075 -15.857 1.00 0.00 N ATOM 0 H ARG A 57 9.113 -2.934 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 57 11.077 -1.224 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.344 -2.256 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.638 -0.612 -10.318 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.929 -2.007 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.620 -3.137 -11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.444 -1.567 -12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.488 -0.245 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 57 11.359 -1.734 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.021 -1.310 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.416 -1.674 -16.235 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.840 -2.212 -15.605 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.565 -2.182 -16.827 1.00 0.00 H new ATOM 858 N LYS A 58 9.763 1.063 -8.836 1.00 0.00 N ATOM 859 CA LYS A 58 9.424 2.352 -8.256 1.00 0.00 C ATOM 860 C LYS A 58 7.917 2.575 -8.278 1.00 0.00 C ATOM 861 O LYS A 58 7.380 3.323 -7.462 1.00 0.00 O ATOM 862 CB LYS A 58 10.139 3.473 -9.015 1.00 0.00 C ATOM 863 CG LYS A 58 11.653 3.410 -8.893 1.00 0.00 C ATOM 864 CD LYS A 58 12.288 2.732 -10.096 1.00 0.00 C ATOM 865 CE LYS A 58 13.688 2.230 -9.776 1.00 0.00 C ATOM 866 NZ LYS A 58 14.738 3.024 -10.473 1.00 0.00 N ATOM 0 H LYS A 58 10.071 1.106 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 58 9.754 2.361 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.864 3.422 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.791 4.436 -8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.052 4.419 -8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.922 2.868 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.665 1.897 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.333 3.433 -10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.853 2.277 -8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.773 1.183 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.677 2.649 -10.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.597 2.959 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.674 4.019 -10.177 1.00 0.00 H new ATOM 880 N ARG A 59 7.240 1.919 -9.220 1.00 0.00 N ATOM 881 CA ARG A 59 5.790 2.039 -9.351 1.00 0.00 C ATOM 882 C ARG A 59 5.160 0.689 -9.695 1.00 0.00 C ATOM 883 O ARG A 59 5.786 -0.144 -10.352 1.00 0.00 O ATOM 884 CB ARG A 59 5.433 3.078 -10.413 1.00 0.00 C ATOM 885 CG ARG A 59 6.142 4.412 -10.222 1.00 0.00 C ATOM 886 CD ARG A 59 6.837 4.863 -11.494 1.00 0.00 C ATOM 887 NE ARG A 59 6.544 6.259 -11.808 1.00 0.00 N ATOM 888 CZ ARG A 59 6.160 6.689 -13.010 1.00 0.00 C ATOM 889 NH1 ARG A 59 6.020 5.838 -14.020 1.00 0.00 N ATOM 890 NH2 ARG A 59 5.913 7.978 -13.201 1.00 0.00 N ATOM 0 H ARG A 59 7.674 1.299 -9.904 1.00 0.00 H new ATOM 0 HA ARG A 59 5.389 2.368 -8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.683 2.681 -11.397 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.356 3.243 -10.400 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.419 5.168 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.873 4.324 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.914 4.734 -11.385 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.522 4.230 -12.324 1.00 0.00 H new ATOM 0 HE ARG A 59 6.639 6.947 -11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.207 4.845 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.726 6.177 -14.936 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.017 8.637 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.619 8.310 -14.119 1.00 0.00 H new ATOM 904 N CYS A 60 3.924 0.468 -9.243 1.00 0.00 N ATOM 905 CA CYS A 60 3.236 -0.791 -9.505 1.00 0.00 C ATOM 906 C CYS A 60 1.783 -0.546 -9.890 1.00 0.00 C ATOM 907 O CYS A 60 0.997 -0.037 -9.092 1.00 0.00 O ATOM 908 CB CYS A 60 3.307 -1.697 -8.271 1.00 0.00 C ATOM 909 SG CYS A 60 3.840 -3.388 -8.624 1.00 0.00 S ATOM 0 H CYS A 60 3.385 1.141 -8.698 1.00 0.00 H new ATOM 0 HA CYS A 60 3.733 -1.285 -10.340 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.993 -1.255 -7.548 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.325 -1.728 -7.800 1.00 0.00 H new ATOM 0 HG CYS A 60 3.870 -4.073 -7.519 1.00 0.00 H new ATOM 915 N LYS A 61 1.429 -0.916 -11.116 1.00 0.00 N ATOM 916 CA LYS A 61 0.067 -0.738 -11.598 1.00 0.00 C ATOM 917 C LYS A 61 -0.862 -1.772 -10.970 1.00 0.00 C ATOM 918 O LYS A 61 -0.867 -2.938 -11.367 1.00 0.00 O ATOM 919 CB LYS A 61 0.022 -0.844 -13.124 1.00 0.00 C ATOM 920 CG LYS A 61 0.781 0.264 -13.835 1.00 0.00 C ATOM 921 CD LYS A 61 0.704 0.110 -15.346 1.00 0.00 C ATOM 922 CE LYS A 61 1.879 0.782 -16.037 1.00 0.00 C ATOM 923 NZ LYS A 61 1.559 2.170 -16.468 1.00 0.00 N ATOM 0 H LYS A 61 2.065 -1.340 -11.791 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.273 0.256 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.435 -1.807 -13.425 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.018 -0.827 -13.450 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.371 1.231 -13.545 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.824 0.253 -13.520 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.686 -0.949 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.228 0.542 -15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.733 0.801 -15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.173 0.192 -16.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.389 2.589 -16.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.761 2.151 -17.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.303 2.741 -15.637 1.00 0.00 H new ATOM 937 N ILE A 62 -1.641 -1.341 -9.984 1.00 0.00 N ATOM 938 CA ILE A 62 -2.566 -2.232 -9.297 1.00 0.00 C ATOM 939 C ILE A 62 -3.941 -1.596 -9.167 1.00 0.00 C ATOM 940 O ILE A 62 -4.066 -0.434 -8.782 1.00 0.00 O ATOM 941 CB ILE A 62 -2.064 -2.600 -7.885 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.608 -3.067 -7.929 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.948 -3.677 -7.271 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.171 -2.723 -6.677 1.00 0.00 C ATOM 0 H ILE A 62 -1.650 -0.380 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.630 -3.137 -9.902 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.117 -1.707 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.585 -4.147 -8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.115 -2.616 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.581 -3.925 -6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.972 -3.310 -7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.925 -4.568 -7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.195 -3.083 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.178 -1.642 -6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.299 -3.196 -5.815 1.00 0.00 H new ATOM 956 N VAL A 63 -4.969 -2.370 -9.487 1.00 0.00 N ATOM 957 CA VAL A 63 -6.341 -1.892 -9.403 1.00 0.00 C ATOM 958 C VAL A 63 -7.258 -2.981 -8.865 1.00 0.00 C ATOM 959 O VAL A 63 -6.838 -4.121 -8.672 1.00 0.00 O ATOM 960 CB VAL A 63 -6.870 -1.437 -10.778 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.051 -0.274 -11.311 1.00 0.00 C ATOM 962 CG2 VAL A 63 -6.870 -2.592 -11.768 1.00 0.00 C ATOM 0 H VAL A 63 -4.878 -3.334 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.338 -1.039 -8.724 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.899 -1.100 -10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.441 0.031 -12.282 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.113 0.563 -10.616 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.011 -0.581 -11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.247 -2.246 -12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.854 -2.967 -11.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.509 -3.392 -11.394 1.00 0.00 H new ATOM 972 N ALA A 64 -8.519 -2.628 -8.646 1.00 0.00 N ATOM 973 CA ALA A 64 -9.505 -3.581 -8.152 1.00 0.00 C ATOM 974 C ALA A 64 -9.269 -3.927 -6.674 1.00 0.00 C ATOM 975 O ALA A 64 -9.072 -3.031 -5.855 1.00 0.00 O ATOM 976 CB ALA A 64 -9.505 -4.827 -9.032 1.00 0.00 C ATOM 0 H ALA A 64 -8.883 -1.688 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.491 -3.120 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.244 -5.536 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.754 -4.549 -10.056 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.517 -5.287 -9.011 1.00 0.00 H new ATOM 982 N GLY A 65 -9.313 -5.220 -6.331 1.00 0.00 N ATOM 983 CA GLY A 65 -9.127 -5.636 -4.950 1.00 0.00 C ATOM 984 C GLY A 65 -7.807 -6.347 -4.701 1.00 0.00 C ATOM 985 O GLY A 65 -7.743 -7.577 -4.720 1.00 0.00 O ATOM 0 H GLY A 65 -9.474 -5.983 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.185 -4.760 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.946 -6.297 -4.665 1.00 0.00 H new ATOM 989 N GLN A 66 -6.755 -5.571 -4.464 1.00 0.00 N ATOM 990 CA GLN A 66 -5.425 -6.131 -4.206 1.00 0.00 C ATOM 991 C GLN A 66 -4.876 -5.658 -2.857 1.00 0.00 C ATOM 992 O GLN A 66 -5.418 -4.738 -2.249 1.00 0.00 O ATOM 993 CB GLN A 66 -4.465 -5.741 -5.329 1.00 0.00 C ATOM 994 CG GLN A 66 -4.509 -6.689 -6.516 1.00 0.00 C ATOM 995 CD GLN A 66 -3.448 -7.767 -6.436 1.00 0.00 C ATOM 996 OE1 GLN A 66 -2.320 -7.513 -6.015 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.803 -8.980 -6.844 1.00 0.00 N ATOM 0 H GLN A 66 -6.793 -4.552 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.516 -7.217 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.705 -4.734 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.449 -5.711 -4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.493 -7.155 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.376 -6.120 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.749 -9.146 -7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.129 -9.745 -6.815 1.00 0.00 H new ATOM 1006 N THR A 67 -3.800 -6.299 -2.390 1.00 0.00 N ATOM 1007 CA THR A 67 -3.192 -5.937 -1.107 1.00 0.00 C ATOM 1008 C THR A 67 -1.704 -5.639 -1.248 1.00 0.00 C ATOM 1009 O THR A 67 -1.036 -6.151 -2.145 1.00 0.00 O ATOM 1010 CB THR A 67 -3.385 -7.055 -0.076 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.703 -7.575 -0.120 1.00 0.00 O ATOM 1012 CG2 THR A 67 -3.114 -6.608 1.345 1.00 0.00 C ATOM 0 H THR A 67 -3.335 -7.065 -2.877 1.00 0.00 H new ATOM 0 HA THR A 67 -3.696 -5.033 -0.765 1.00 0.00 H new ATOM 0 HB THR A 67 -2.658 -7.820 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.796 -8.287 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.268 -7.445 2.026 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.085 -6.259 1.427 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.794 -5.797 1.607 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.198 -4.809 -0.338 1.00 0.00 N ATOM 1021 CA VAL A 68 0.210 -4.428 -0.325 1.00 0.00 C ATOM 1022 C VAL A 68 0.777 -4.566 1.093 1.00 0.00 C ATOM 1023 O VAL A 68 0.062 -4.359 2.074 1.00 0.00 O ATOM 1024 CB VAL A 68 0.393 -2.978 -0.853 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.176 -2.109 0.121 1.00 0.00 C ATOM 1026 CG2 VAL A 68 1.068 -2.991 -2.214 1.00 0.00 C ATOM 0 H VAL A 68 -1.750 -4.384 0.407 1.00 0.00 H new ATOM 0 HA VAL A 68 0.759 -5.097 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.600 -2.540 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.279 -1.105 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.645 -2.059 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.165 -2.540 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.189 -1.968 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.046 -3.464 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.454 -3.550 -2.920 1.00 0.00 H new ATOM 1036 N SER A 69 2.057 -4.921 1.199 1.00 0.00 N ATOM 1037 CA SER A 69 2.693 -5.086 2.506 1.00 0.00 C ATOM 1038 C SER A 69 4.065 -4.420 2.554 1.00 0.00 C ATOM 1039 O SER A 69 4.861 -4.543 1.619 1.00 0.00 O ATOM 1040 CB SER A 69 2.831 -6.572 2.848 1.00 0.00 C ATOM 1041 OG SER A 69 1.601 -7.253 2.670 1.00 0.00 O ATOM 0 H SER A 69 2.670 -5.099 0.403 1.00 0.00 H new ATOM 0 HA SER A 69 2.053 -4.600 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.595 -7.024 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.165 -6.681 3.880 1.00 0.00 H new ATOM 0 HG SER A 69 1.057 -7.162 3.480 1.00 0.00 H new ATOM 1047 N PHE A 70 4.336 -3.721 3.660 1.00 0.00 N ATOM 1048 CA PHE A 70 5.614 -3.039 3.844 1.00 0.00 C ATOM 1049 C PHE A 70 5.714 -2.391 5.228 1.00 0.00 C ATOM 1050 O PHE A 70 4.769 -1.761 5.705 1.00 0.00 O ATOM 1051 CB PHE A 70 5.815 -1.975 2.759 1.00 0.00 C ATOM 1052 CG PHE A 70 6.958 -1.042 3.047 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.153 -1.522 3.559 1.00 0.00 C ATOM 1054 CD2 PHE A 70 6.831 0.314 2.821 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.198 -0.666 3.838 1.00 0.00 C ATOM 1056 CE2 PHE A 70 7.873 1.174 3.097 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.059 0.685 3.607 1.00 0.00 C ATOM 0 H PHE A 70 3.686 -3.614 4.439 1.00 0.00 H new ATOM 0 HA PHE A 70 6.399 -3.791 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.990 -2.469 1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.898 -1.394 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.268 -2.580 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.906 0.705 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.124 -1.054 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.761 2.232 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.875 1.359 3.824 1.00 0.00 H new ATOM 1067 N ALA A 71 6.882 -2.537 5.855 1.00 0.00 N ATOM 1068 CA ALA A 71 7.137 -1.958 7.172 1.00 0.00 C ATOM 1069 C ALA A 71 6.031 -2.301 8.163 1.00 0.00 C ATOM 1070 O ALA A 71 5.661 -1.480 9.002 1.00 0.00 O ATOM 1071 CB ALA A 71 7.300 -0.447 7.060 1.00 0.00 C ATOM 0 H ALA A 71 7.670 -3.055 5.468 1.00 0.00 H new ATOM 0 HA ALA A 71 8.063 -2.390 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.490 -0.027 8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.139 -0.219 6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.389 -0.012 6.650 1.00 0.00 H new ATOM 1077 N GLY A 72 5.507 -3.516 8.060 1.00 0.00 N ATOM 1078 CA GLY A 72 4.450 -3.938 8.957 1.00 0.00 C ATOM 1079 C GLY A 72 3.090 -3.423 8.544 1.00 0.00 C ATOM 1080 O GLY A 72 2.081 -3.759 9.164 1.00 0.00 O ATOM 0 H GLY A 72 5.794 -4.214 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.425 -5.027 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.675 -3.589 9.965 1.00 0.00 H new ATOM 1084 N HIS A 73 3.056 -2.596 7.505 1.00 0.00 N ATOM 1085 CA HIS A 73 1.804 -2.033 7.034 1.00 0.00 C ATOM 1086 C HIS A 73 1.158 -2.929 5.979 1.00 0.00 C ATOM 1087 O HIS A 73 1.624 -2.999 4.842 1.00 0.00 O ATOM 1088 CB HIS A 73 2.038 -0.641 6.446 1.00 0.00 C ATOM 1089 CG HIS A 73 2.898 0.251 7.286 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.001 0.138 8.656 1.00 0.00 N ATOM 1091 CD2 HIS A 73 3.704 1.282 6.935 1.00 0.00 C ATOM 1092 CE1 HIS A 73 3.831 1.061 9.112 1.00 0.00 C ATOM 1093 NE2 HIS A 73 4.270 1.768 8.086 1.00 0.00 N ATOM 0 H HIS A 73 3.879 -2.304 6.978 1.00 0.00 H new ATOM 0 HA HIS A 73 1.130 -1.960 7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.498 -0.748 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.073 -0.157 6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.870 1.653 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.103 1.211 10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.924 2.549 8.141 1.00 0.00 H new ATOM 1101 N SER A 74 0.076 -3.601 6.358 1.00 0.00 N ATOM 1102 CA SER A 74 -0.642 -4.479 5.439 1.00 0.00 C ATOM 1103 C SER A 74 -2.008 -3.887 5.103 1.00 0.00 C ATOM 1104 O SER A 74 -2.929 -3.928 5.917 1.00 0.00 O ATOM 1105 CB SER A 74 -0.807 -5.873 6.051 1.00 0.00 C ATOM 1106 OG SER A 74 -0.082 -6.842 5.315 1.00 0.00 O ATOM 0 H SER A 74 -0.324 -3.555 7.295 1.00 0.00 H new ATOM 0 HA SER A 74 -0.062 -4.569 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.461 -5.863 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.863 -6.142 6.071 1.00 0.00 H new ATOM 0 HG SER A 74 -0.202 -7.723 5.727 1.00 0.00 H new ATOM 1112 N VAL A 75 -2.126 -3.320 3.906 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.376 -2.703 3.473 1.00 0.00 C ATOM 1114 C VAL A 75 -3.766 -3.149 2.064 1.00 0.00 C ATOM 1115 O VAL A 75 -2.909 -3.518 1.261 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.267 -1.166 3.496 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.565 -0.525 3.041 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.876 -0.675 4.882 1.00 0.00 C ATOM 0 H VAL A 75 -1.373 -3.275 3.220 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.146 -3.027 4.173 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.484 -0.871 2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.463 0.560 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.792 -0.845 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.374 -0.829 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.805 0.413 4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.631 -0.985 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.912 -1.100 5.160 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.065 -3.104 1.768 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.566 -3.498 0.455 1.00 0.00 C ATOM 1130 C GLN A 76 -6.134 -2.300 -0.300 1.00 0.00 C ATOM 1131 O GLN A 76 -6.313 -1.221 0.265 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.640 -4.582 0.584 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.374 -5.587 1.691 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.441 -6.660 1.774 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -8.556 -6.483 1.282 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -7.100 -7.783 2.393 1.00 0.00 N ATOM 0 H GLN A 76 -5.787 -2.799 2.420 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.724 -3.899 -0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.603 -4.105 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.720 -5.114 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.404 -6.056 1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.316 -5.064 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.164 -7.885 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.774 -8.544 2.476 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.403 -2.501 -1.585 1.00 0.00 N ATOM 1146 CA VAL A 77 -6.938 -1.451 -2.442 1.00 0.00 C ATOM 1147 C VAL A 77 -8.238 -1.903 -3.100 1.00 0.00 C ATOM 1148 O VAL A 77 -8.339 -3.039 -3.558 1.00 0.00 O ATOM 1149 CB VAL A 77 -5.919 -1.082 -3.538 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -6.362 0.151 -4.310 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -4.541 -0.879 -2.924 1.00 0.00 C ATOM 0 H VAL A 77 -6.257 -3.392 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.136 -0.578 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.864 -1.907 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.623 0.386 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.325 -0.042 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.456 0.994 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.829 -0.619 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.584 -0.074 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.222 -1.799 -2.434 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.227 -1.012 -3.153 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.512 -1.336 -3.767 1.00 0.00 C ATOM 1163 C VAL A 78 -10.894 -0.305 -4.824 1.00 0.00 C ATOM 1164 O VAL A 78 -10.552 0.872 -4.711 1.00 0.00 O ATOM 1165 CB VAL A 78 -11.645 -1.435 -2.725 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.500 -2.703 -1.895 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -11.678 -0.198 -1.837 1.00 0.00 C ATOM 0 H VAL A 78 -9.163 -0.065 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.389 -2.311 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.595 -1.486 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.308 -2.755 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.545 -3.573 -2.549 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.542 -2.690 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.486 -0.293 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.728 -0.101 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.845 0.687 -2.452 1.00 0.00 H new ATOM 1177 N ALA A 79 -11.599 -0.758 -5.858 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.022 0.120 -6.944 1.00 0.00 C ATOM 1179 C ALA A 79 -13.373 0.761 -6.648 1.00 0.00 C ATOM 1180 O ALA A 79 -13.487 1.995 -6.799 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.078 -0.656 -8.253 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.309 0.022 -6.277 1.00 0.00 O ATOM 0 H ALA A 79 -11.889 -1.730 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.288 0.921 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.395 0.009 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.090 -1.056 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.789 -1.477 -8.159 1.00 0.00 H new