USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 740 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 88 THR OG1 : rot 180:sc= -0.061 USER MOD Set 1.2: A 106 THR OG1 : rot -59:sc= 0.0269 USER MOD Set 2.1: A 82 THR OG1 : rot 105:sc= 1.25 USER MOD Set 2.2: A 87 TYR OH : rot 180:sc= 0.919 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -1.79 F(o=-5.9,f=-3.6) USER MOD Set 3.2: A 76 TYR OH : rot 150:sc= -1.86 USER MOD Single : A 23 HIS :FLIP no HD1:sc= 0.0217 F(o=-1.4,f=0.022) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.391 (180deg=-0.392) USER MOD Single : A 37 SER OG : rot 180:sc= -0.226 USER MOD Single : A 39 GLN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= 0.893 (180deg=0.34) USER MOD Single : A 45 ASN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 49 THR OG1 : rot 80:sc= -4.11 USER MOD Single : A 51 TYR OH : rot 180:sc= -1.74 USER MOD Single : A 54 SER OG : rot 180:sc= -0.017 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.31) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 63 THR OG1 : rot -60:sc= 0.712 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.3 K(o=0.3,f=-5.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 29:sc= 0.039 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 162:sc= -0.454 (180deg=-1.61!) USER MOD Single : A 95 THR OG1 : rot 150:sc= -1.14 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= -0.015 (180deg=-0.0563) USER MOD Single : A 99 GLN :FLIP amide:sc= -2.05 F(o=-5.4!,f=-2) USER MOD Single : A 101 GLN : amide:sc=-0.00763 X(o=-0.0076,f=-0.12) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -154:sc= -0.538! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.235 -0.480 -13.388 1.00 0.00 N ATOM 203 CA ASP A 16 16.956 0.363 -12.449 1.00 0.00 C ATOM 204 C ASP A 16 16.196 0.406 -11.121 1.00 0.00 C ATOM 205 O ASP A 16 16.716 -0.020 -10.091 1.00 0.00 O ATOM 206 CB ASP A 16 17.073 1.796 -12.973 1.00 0.00 C ATOM 207 CG ASP A 16 18.050 2.687 -12.205 1.00 0.00 C ATOM 208 OD1 ASP A 16 17.874 2.791 -10.971 1.00 0.00 O ATOM 209 OD2 ASP A 16 18.951 3.244 -12.868 1.00 0.00 O ATOM 0 HA ASP A 16 17.954 -0.056 -12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.381 1.761 -14.018 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.086 2.258 -12.947 1.00 0.00 H new ATOM 214 N VAL A 17 14.978 0.923 -11.189 1.00 0.00 N ATOM 215 CA VAL A 17 14.142 1.027 -10.005 1.00 0.00 C ATOM 216 C VAL A 17 14.252 -0.266 -9.194 1.00 0.00 C ATOM 217 O VAL A 17 14.728 -1.281 -9.698 1.00 0.00 O ATOM 218 CB VAL A 17 12.704 1.359 -10.408 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.530 2.863 -10.629 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.286 0.571 -11.651 1.00 0.00 C ATOM 0 H VAL A 17 14.550 1.274 -12.046 1.00 0.00 H new ATOM 0 HA VAL A 17 14.483 1.842 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 17 12.050 1.062 -9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.499 3.072 -10.915 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.767 3.396 -9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.200 3.194 -11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.260 0.826 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.947 0.822 -12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.353 -0.497 -11.444 1.00 0.00 H new ATOM 230 N PRO A 18 13.793 -0.183 -7.916 1.00 0.00 N ATOM 231 CA PRO A 18 13.835 -1.333 -7.030 1.00 0.00 C ATOM 232 C PRO A 18 12.747 -2.345 -7.393 1.00 0.00 C ATOM 233 O PRO A 18 11.989 -2.135 -8.339 1.00 0.00 O ATOM 234 CB PRO A 18 13.670 -0.759 -5.632 1.00 0.00 C ATOM 235 CG PRO A 18 13.078 0.629 -5.819 1.00 0.00 C ATOM 236 CD PRO A 18 13.223 1.004 -7.285 1.00 0.00 C ATOM 0 HA PRO A 18 14.768 -1.891 -7.109 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.014 -1.385 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.628 -0.709 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.029 0.639 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.594 1.352 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.260 1.263 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.873 1.870 -7.410 1.00 0.00 H new ATOM 244 N GLY A 19 12.703 -3.422 -6.622 1.00 0.00 N ATOM 245 CA GLY A 19 11.720 -4.467 -6.850 1.00 0.00 C ATOM 246 C GLY A 19 10.581 -4.381 -5.832 1.00 0.00 C ATOM 247 O GLY A 19 10.288 -3.305 -5.313 1.00 0.00 O ATOM 0 H GLY A 19 13.333 -3.593 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.318 -4.379 -7.859 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.200 -5.443 -6.782 1.00 0.00 H new ATOM 251 N PRO A 20 9.954 -5.559 -5.569 1.00 0.00 N ATOM 252 CA PRO A 20 8.854 -5.626 -4.623 1.00 0.00 C ATOM 253 C PRO A 20 9.363 -5.537 -3.183 1.00 0.00 C ATOM 254 O PRO A 20 10.361 -6.166 -2.833 1.00 0.00 O ATOM 255 CB PRO A 20 8.155 -6.942 -4.925 1.00 0.00 C ATOM 256 CG PRO A 20 9.156 -7.775 -5.709 1.00 0.00 C ATOM 257 CD PRO A 20 10.275 -6.852 -6.165 1.00 0.00 C ATOM 0 HA PRO A 20 8.162 -4.790 -4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.861 -7.448 -4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.246 -6.778 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.553 -8.579 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.674 -8.243 -6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.247 -7.212 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.317 -6.788 -7.252 1.00 0.00 H new ATOM 265 N VAL A 21 8.655 -4.750 -2.386 1.00 0.00 N ATOM 266 CA VAL A 21 9.023 -4.570 -0.992 1.00 0.00 C ATOM 267 C VAL A 21 8.963 -5.920 -0.275 1.00 0.00 C ATOM 268 O VAL A 21 8.708 -6.948 -0.900 1.00 0.00 O ATOM 269 CB VAL A 21 8.128 -3.510 -0.347 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.524 -2.105 -0.807 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.652 -3.787 -0.640 1.00 0.00 C ATOM 0 H VAL A 21 7.828 -4.230 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 21 10.047 -4.204 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 21 8.271 -3.562 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.872 -1.370 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.558 -1.908 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.424 -2.035 -1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.037 -3.019 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.487 -3.775 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.379 -4.764 -0.241 1.00 0.00 H new ATOM 281 N GLY A 22 9.201 -5.873 1.028 1.00 0.00 N ATOM 282 CA GLY A 22 9.177 -7.080 1.837 1.00 0.00 C ATOM 283 C GLY A 22 7.800 -7.746 1.787 1.00 0.00 C ATOM 284 O GLY A 22 7.161 -7.781 0.737 1.00 0.00 O ATOM 0 H GLY A 22 9.411 -5.018 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.935 -7.777 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.430 -6.836 2.869 1.00 0.00 H new ATOM 288 N HIS A 23 7.384 -8.257 2.937 1.00 0.00 N ATOM 289 CA HIS A 23 6.095 -8.919 3.038 1.00 0.00 C ATOM 290 C HIS A 23 5.066 -7.953 3.627 1.00 0.00 C ATOM 291 O HIS A 23 5.069 -7.695 4.830 1.00 0.00 O ATOM 292 CB HIS A 23 6.213 -10.219 3.837 1.00 0.00 C ATOM 293 CG HIS A 23 7.612 -10.787 3.883 1.00 0.00 C ATOM 294 ND1 HIS A 23 8.747 -10.314 4.473 1.00 0.00 N flip ATOM 295 CD2 HIS A 23 7.958 -11.978 3.270 1.00 0.00 C flip ATOM 296 CE1 HIS A 23 9.732 -11.171 4.236 1.00 0.00 C flip ATOM 297 NE2 HIS A 23 9.245 -12.203 3.489 1.00 0.00 N flip ATOM 0 H HIS A 23 7.917 -8.226 3.806 1.00 0.00 H new ATOM 0 HA HIS A 23 5.749 -9.201 2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.871 -10.039 4.856 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.544 -10.962 3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.292 -12.616 2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.751 -11.068 4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.778 -13.007 3.157 1.00 0.00 H new ATOM 305 N LEU A 24 4.211 -7.443 2.753 1.00 0.00 N ATOM 306 CA LEU A 24 3.179 -6.510 3.171 1.00 0.00 C ATOM 307 C LEU A 24 2.456 -7.073 4.396 1.00 0.00 C ATOM 308 O LEU A 24 2.393 -8.287 4.581 1.00 0.00 O ATOM 309 CB LEU A 24 2.247 -6.184 2.003 1.00 0.00 C ATOM 310 CG LEU A 24 2.236 -4.725 1.541 1.00 0.00 C ATOM 311 CD1 LEU A 24 3.279 -4.488 0.448 1.00 0.00 C ATOM 312 CD2 LEU A 24 0.834 -4.300 1.098 1.00 0.00 C ATOM 0 H LEU A 24 4.212 -7.659 1.756 1.00 0.00 H new ATOM 0 HA LEU A 24 3.622 -5.560 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.526 -6.811 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.232 -6.463 2.285 1.00 0.00 H new ATOM 0 HG LEU A 24 2.510 -4.097 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.250 -3.443 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.271 -4.725 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.061 -5.127 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.854 -3.259 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.507 -4.930 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.141 -4.407 1.932 1.00 0.00 H new ATOM 324 N SER A 25 1.928 -6.163 5.202 1.00 0.00 N ATOM 325 CA SER A 25 1.211 -6.553 6.404 1.00 0.00 C ATOM 326 C SER A 25 0.025 -5.614 6.634 1.00 0.00 C ATOM 327 O SER A 25 0.054 -4.458 6.216 1.00 0.00 O ATOM 328 CB SER A 25 2.136 -6.548 7.622 1.00 0.00 C ATOM 329 OG SER A 25 1.538 -7.182 8.750 1.00 0.00 O ATOM 0 H SER A 25 1.983 -5.157 5.046 1.00 0.00 H new ATOM 0 HA SER A 25 0.840 -7.569 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.067 -7.056 7.372 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.393 -5.520 7.878 1.00 0.00 H new ATOM 0 HG SER A 25 2.161 -7.160 9.506 1.00 0.00 H new ATOM 335 N PHE A 26 -0.990 -6.147 7.298 1.00 0.00 N ATOM 336 CA PHE A 26 -2.184 -5.371 7.589 1.00 0.00 C ATOM 337 C PHE A 26 -2.632 -5.576 9.038 1.00 0.00 C ATOM 338 O PHE A 26 -2.822 -6.709 9.478 1.00 0.00 O ATOM 339 CB PHE A 26 -3.284 -5.875 6.652 1.00 0.00 C ATOM 340 CG PHE A 26 -2.994 -5.637 5.168 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.384 -4.489 4.770 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.347 -6.574 4.248 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.115 -4.268 3.393 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.079 -6.353 2.871 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.468 -5.205 2.473 1.00 0.00 C ATOM 0 H PHE A 26 -1.010 -7.107 7.643 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.982 -4.310 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.427 -6.943 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.222 -5.384 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.104 -3.745 5.501 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.831 -7.486 4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.630 -3.356 3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.360 -7.096 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.263 -5.038 1.426 1.00 0.00 H new ATOM 355 N SER A 27 -2.787 -4.462 9.738 1.00 0.00 N ATOM 356 CA SER A 27 -3.209 -4.505 11.128 1.00 0.00 C ATOM 357 C SER A 27 -4.150 -3.336 11.426 1.00 0.00 C ATOM 358 O SER A 27 -4.392 -2.494 10.562 1.00 0.00 O ATOM 359 CB SER A 27 -2.004 -4.469 12.070 1.00 0.00 C ATOM 360 OG SER A 27 -1.114 -3.400 11.760 1.00 0.00 O ATOM 0 H SER A 27 -2.628 -3.524 9.369 1.00 0.00 H new ATOM 0 HA SER A 27 -3.740 -5.442 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.351 -4.365 13.098 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.468 -5.416 12.009 1.00 0.00 H new ATOM 0 HG SER A 27 -0.359 -3.411 12.385 1.00 0.00 H new ATOM 366 N GLU A 28 -4.656 -3.322 12.650 1.00 0.00 N ATOM 367 CA GLU A 28 -5.565 -2.271 13.072 1.00 0.00 C ATOM 368 C GLU A 28 -6.573 -1.963 11.962 1.00 0.00 C ATOM 369 O GLU A 28 -6.797 -0.801 11.628 1.00 0.00 O ATOM 370 CB GLU A 28 -4.797 -1.012 13.480 1.00 0.00 C ATOM 371 CG GLU A 28 -4.218 -1.155 14.888 1.00 0.00 C ATOM 372 CD GLU A 28 -5.333 -1.266 15.931 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.212 -0.378 15.918 1.00 0.00 O ATOM 374 OE2 GLU A 28 -5.280 -2.237 16.717 1.00 0.00 O ATOM 0 H GLU A 28 -4.453 -4.022 13.363 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.113 -2.622 13.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.992 -0.827 12.769 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.461 -0.148 13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.582 -2.039 14.935 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.587 -0.295 15.115 1.00 0.00 H new ATOM 381 N ILE A 29 -7.152 -3.025 11.422 1.00 0.00 N ATOM 382 CA ILE A 29 -8.130 -2.883 10.357 1.00 0.00 C ATOM 383 C ILE A 29 -9.499 -2.573 10.965 1.00 0.00 C ATOM 384 O ILE A 29 -9.869 -3.140 11.992 1.00 0.00 O ATOM 385 CB ILE A 29 -8.124 -4.119 9.455 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.693 -4.569 9.152 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.929 -3.871 8.178 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.645 -5.429 7.887 1.00 0.00 C ATOM 0 H ILE A 29 -6.963 -3.987 11.702 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.870 -2.044 9.711 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.612 -4.934 9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.052 -3.696 9.027 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.300 -5.135 9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.908 -4.765 7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.961 -3.634 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.493 -3.036 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.617 -5.736 7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.268 -6.313 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.016 -4.852 7.040 1.00 0.00 H new ATOM 400 N LEU A 30 -10.215 -1.674 10.306 1.00 0.00 N ATOM 401 CA LEU A 30 -11.535 -1.281 10.769 1.00 0.00 C ATOM 402 C LEU A 30 -12.576 -1.669 9.717 1.00 0.00 C ATOM 403 O LEU A 30 -12.636 -2.822 9.293 1.00 0.00 O ATOM 404 CB LEU A 30 -11.555 0.204 11.136 1.00 0.00 C ATOM 405 CG LEU A 30 -10.665 0.616 12.311 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.047 -0.145 13.582 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.184 0.446 11.963 1.00 0.00 C ATOM 0 H LEU A 30 -9.906 -1.206 9.454 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.792 -1.814 11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.255 0.779 10.260 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.582 0.487 11.367 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.829 1.675 12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.399 0.167 14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.084 0.071 13.837 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.930 -1.216 13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.573 0.746 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.984 -0.598 11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.938 1.069 11.103 1.00 0.00 H new ATOM 419 N ASP A 31 -13.370 -0.683 9.325 1.00 0.00 N ATOM 420 CA ASP A 31 -14.405 -0.906 8.330 1.00 0.00 C ATOM 421 C ASP A 31 -14.049 -0.146 7.051 1.00 0.00 C ATOM 422 O ASP A 31 -14.374 -0.589 5.951 1.00 0.00 O ATOM 423 CB ASP A 31 -15.761 -0.394 8.822 1.00 0.00 C ATOM 424 CG ASP A 31 -15.694 0.798 9.779 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.941 0.688 10.771 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.397 1.792 9.496 1.00 0.00 O ATOM 0 H ASP A 31 -13.317 0.272 9.679 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.469 -1.978 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.362 -0.113 7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.282 -1.212 9.320 1.00 0.00 H new ATOM 431 N THR A 32 -13.385 0.985 7.238 1.00 0.00 N ATOM 432 CA THR A 32 -12.981 1.811 6.112 1.00 0.00 C ATOM 433 C THR A 32 -11.576 2.370 6.338 1.00 0.00 C ATOM 434 O THR A 32 -11.224 3.414 5.792 1.00 0.00 O ATOM 435 CB THR A 32 -14.043 2.895 5.916 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.781 3.830 6.960 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.457 2.391 6.213 1.00 0.00 C ATOM 0 H THR A 32 -13.116 1.349 8.152 1.00 0.00 H new ATOM 0 HA THR A 32 -12.920 1.226 5.194 1.00 0.00 H new ATOM 0 HB THR A 32 -13.998 3.266 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.423 4.568 6.907 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.171 3.200 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.696 1.563 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.512 2.051 7.247 1.00 0.00 H new ATOM 445 N SER A 33 -10.810 1.651 7.146 1.00 0.00 N ATOM 446 CA SER A 33 -9.450 2.063 7.451 1.00 0.00 C ATOM 447 C SER A 33 -8.657 0.878 8.006 1.00 0.00 C ATOM 448 O SER A 33 -9.201 0.048 8.732 1.00 0.00 O ATOM 449 CB SER A 33 -9.437 3.224 8.447 1.00 0.00 C ATOM 450 OG SER A 33 -10.346 3.014 9.524 1.00 0.00 O ATOM 0 H SER A 33 -11.105 0.786 7.599 1.00 0.00 H new ATOM 0 HA SER A 33 -8.981 2.406 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.429 3.351 8.843 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.695 4.148 7.930 1.00 0.00 H new ATOM 0 HG SER A 33 -10.307 3.776 10.139 1.00 0.00 H new ATOM 456 N LEU A 34 -7.383 0.838 7.643 1.00 0.00 N ATOM 457 CA LEU A 34 -6.510 -0.232 8.095 1.00 0.00 C ATOM 458 C LEU A 34 -5.061 0.259 8.081 1.00 0.00 C ATOM 459 O LEU A 34 -4.750 1.269 7.451 1.00 0.00 O ATOM 460 CB LEU A 34 -6.739 -1.498 7.267 1.00 0.00 C ATOM 461 CG LEU A 34 -6.547 -1.354 5.756 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.068 -1.451 5.379 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.400 -2.372 4.996 1.00 0.00 C ATOM 0 H LEU A 34 -6.935 1.529 7.041 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.745 -0.506 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.061 -2.272 7.627 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.753 -1.851 7.452 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.890 -0.362 5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.960 -1.345 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.512 -0.657 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.676 -2.419 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.245 -2.248 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.111 -3.381 5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.452 -2.213 5.231 1.00 0.00 H new ATOM 475 N LYS A 35 -4.213 -0.479 8.782 1.00 0.00 N ATOM 476 CA LYS A 35 -2.804 -0.132 8.857 1.00 0.00 C ATOM 477 C LYS A 35 -2.009 -1.034 7.911 1.00 0.00 C ATOM 478 O LYS A 35 -2.105 -2.258 7.988 1.00 0.00 O ATOM 479 CB LYS A 35 -2.317 -0.180 10.307 1.00 0.00 C ATOM 480 CG LYS A 35 -0.807 0.058 10.387 1.00 0.00 C ATOM 481 CD LYS A 35 -0.499 1.402 11.048 1.00 0.00 C ATOM 482 CE LYS A 35 0.306 2.303 10.109 1.00 0.00 C ATOM 483 NZ LYS A 35 0.889 3.441 10.855 1.00 0.00 N ATOM 0 H LYS A 35 -4.475 -1.316 9.303 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.647 0.894 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.839 0.575 10.895 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.560 -1.149 10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.338 -0.746 10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.378 0.034 9.385 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.430 1.897 11.324 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.060 1.239 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.100 1.726 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.338 2.675 9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.590 3.925 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.135 4.109 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.352 3.090 11.718 1.00 0.00 H new ATOM 497 N VAL A 36 -1.242 -0.395 7.040 1.00 0.00 N ATOM 498 CA VAL A 36 -0.431 -1.124 6.080 1.00 0.00 C ATOM 499 C VAL A 36 1.024 -1.133 6.551 1.00 0.00 C ATOM 500 O VAL A 36 1.497 -0.160 7.136 1.00 0.00 O ATOM 501 CB VAL A 36 -0.605 -0.522 4.684 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.350 -1.176 3.683 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.056 -0.637 4.214 1.00 0.00 C ATOM 0 H VAL A 36 -1.165 0.620 6.979 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.757 -2.162 6.014 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.356 0.538 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.206 -0.730 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.379 -1.019 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.146 -2.245 3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.152 -0.202 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.345 -1.687 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.706 -0.104 4.908 1.00 0.00 H new ATOM 513 N SER A 37 1.694 -2.243 6.277 1.00 0.00 N ATOM 514 CA SER A 37 3.087 -2.391 6.666 1.00 0.00 C ATOM 515 C SER A 37 3.835 -3.223 5.622 1.00 0.00 C ATOM 516 O SER A 37 3.217 -3.925 4.823 1.00 0.00 O ATOM 517 CB SER A 37 3.207 -3.039 8.047 1.00 0.00 C ATOM 518 OG SER A 37 4.282 -3.973 8.106 1.00 0.00 O ATOM 0 H SER A 37 1.299 -3.048 5.791 1.00 0.00 H new ATOM 0 HA SER A 37 3.535 -1.399 6.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.358 -2.265 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.273 -3.545 8.293 1.00 0.00 H new ATOM 0 HG SER A 37 4.327 -4.364 9.004 1.00 0.00 H new ATOM 524 N TRP A 38 5.155 -3.117 5.664 1.00 0.00 N ATOM 525 CA TRP A 38 5.994 -3.850 4.732 1.00 0.00 C ATOM 526 C TRP A 38 7.436 -3.782 5.239 1.00 0.00 C ATOM 527 O TRP A 38 7.683 -3.346 6.362 1.00 0.00 O ATOM 528 CB TRP A 38 5.835 -3.311 3.309 1.00 0.00 C ATOM 529 CG TRP A 38 6.114 -1.812 3.177 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.282 -1.210 2.915 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.152 -0.744 3.310 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.145 0.162 2.872 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.808 0.455 3.119 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.774 -0.790 3.584 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.167 1.698 3.181 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.148 0.461 3.642 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.794 1.677 3.452 1.00 0.00 C ATOM 0 H TRP A 38 5.664 -2.535 6.329 1.00 0.00 H new ATOM 0 HA TRP A 38 5.691 -4.896 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.509 -3.855 2.648 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.820 -3.513 2.966 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.214 -1.733 2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.888 0.838 2.692 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.241 -1.717 3.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.703 2.623 3.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.088 0.483 3.849 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.239 2.601 3.513 1.00 0.00 H new ATOM 548 N GLN A 39 8.351 -4.219 4.386 1.00 0.00 N ATOM 549 CA GLN A 39 9.762 -4.213 4.734 1.00 0.00 C ATOM 550 C GLN A 39 10.593 -3.667 3.571 1.00 0.00 C ATOM 551 O GLN A 39 10.049 -3.314 2.526 1.00 0.00 O ATOM 552 CB GLN A 39 10.234 -5.612 5.136 1.00 0.00 C ATOM 553 CG GLN A 39 10.409 -5.717 6.652 1.00 0.00 C ATOM 554 CD GLN A 39 11.283 -6.918 7.021 1.00 0.00 C ATOM 555 OE1 GLN A 39 10.816 -7.929 7.518 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.574 -6.749 6.752 1.00 0.00 N ATOM 0 H GLN A 39 8.143 -4.580 3.455 1.00 0.00 H new ATOM 0 HA GLN A 39 9.901 -3.558 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.512 -6.355 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.179 -5.837 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.862 -4.802 7.034 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.433 -5.812 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.898 -5.876 6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.240 -7.492 6.962 1.00 0.00 H new ATOM 565 N GLU A 40 11.899 -3.615 3.792 1.00 0.00 N ATOM 566 CA GLU A 40 12.810 -3.118 2.776 1.00 0.00 C ATOM 567 C GLU A 40 13.106 -4.212 1.747 1.00 0.00 C ATOM 568 O GLU A 40 13.395 -5.350 2.112 1.00 0.00 O ATOM 569 CB GLU A 40 14.102 -2.594 3.406 1.00 0.00 C ATOM 570 CG GLU A 40 14.197 -1.073 3.278 1.00 0.00 C ATOM 571 CD GLU A 40 15.334 -0.520 4.141 1.00 0.00 C ATOM 572 OE1 GLU A 40 16.152 -1.346 4.599 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.358 0.716 4.323 1.00 0.00 O ATOM 0 H GLU A 40 12.347 -3.909 4.660 1.00 0.00 H new ATOM 0 HA GLU A 40 12.331 -2.284 2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.138 -2.877 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.961 -3.058 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.362 -0.802 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.253 -0.619 3.580 1.00 0.00 H new ATOM 580 N PRO A 41 13.021 -3.817 0.448 1.00 0.00 N ATOM 581 CA PRO A 41 13.276 -4.751 -0.635 1.00 0.00 C ATOM 582 C PRO A 41 14.774 -5.026 -0.780 1.00 0.00 C ATOM 583 O PRO A 41 15.600 -4.176 -0.451 1.00 0.00 O ATOM 584 CB PRO A 41 12.670 -4.099 -1.867 1.00 0.00 C ATOM 585 CG PRO A 41 12.511 -2.627 -1.524 1.00 0.00 C ATOM 586 CD PRO A 41 12.681 -2.477 -0.021 1.00 0.00 C ATOM 0 HA PRO A 41 12.831 -5.731 -0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.315 -4.230 -2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.708 -4.549 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.253 -2.029 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.531 -2.266 -1.835 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.468 -1.762 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.766 -2.114 0.447 1.00 0.00 H new ATOM 594 N GLY A 42 15.080 -6.218 -1.273 1.00 0.00 N ATOM 595 CA GLY A 42 16.464 -6.616 -1.466 1.00 0.00 C ATOM 596 C GLY A 42 17.023 -6.042 -2.770 1.00 0.00 C ATOM 597 O GLY A 42 18.235 -6.031 -2.978 1.00 0.00 O ATOM 0 H GLY A 42 14.393 -6.921 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.066 -6.271 -0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.534 -7.704 -1.484 1.00 0.00 H new ATOM 601 N GLU A 43 16.112 -5.579 -3.614 1.00 0.00 N ATOM 602 CA GLU A 43 16.499 -5.006 -4.891 1.00 0.00 C ATOM 603 C GLU A 43 16.495 -3.478 -4.810 1.00 0.00 C ATOM 604 O GLU A 43 16.094 -2.803 -5.757 1.00 0.00 O ATOM 605 CB GLU A 43 15.582 -5.497 -6.013 1.00 0.00 C ATOM 606 CG GLU A 43 16.081 -6.825 -6.586 1.00 0.00 C ATOM 607 CD GLU A 43 17.508 -6.691 -7.120 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.639 -6.266 -8.289 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.436 -7.016 -6.348 1.00 0.00 O ATOM 0 H GLU A 43 15.107 -5.589 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 43 17.512 -5.336 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.568 -5.619 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.537 -4.749 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.049 -7.593 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.418 -7.151 -7.388 1.00 0.00 H new ATOM 616 N LYS A 44 16.947 -2.977 -3.670 1.00 0.00 N ATOM 617 CA LYS A 44 17.001 -1.541 -3.452 1.00 0.00 C ATOM 618 C LYS A 44 17.522 -0.857 -4.718 1.00 0.00 C ATOM 619 O LYS A 44 17.121 0.262 -5.033 1.00 0.00 O ATOM 620 CB LYS A 44 17.817 -1.219 -2.199 1.00 0.00 C ATOM 621 CG LYS A 44 17.141 -1.778 -0.945 1.00 0.00 C ATOM 622 CD LYS A 44 17.690 -1.110 0.317 1.00 0.00 C ATOM 623 CE LYS A 44 16.897 -1.540 1.553 1.00 0.00 C ATOM 624 NZ LYS A 44 17.770 -2.266 2.502 1.00 0.00 N ATOM 0 H LYS A 44 17.279 -3.540 -2.887 1.00 0.00 H new ATOM 0 HA LYS A 44 16.003 -1.147 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.818 -1.639 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.932 -0.139 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.064 -1.619 -1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.301 -2.855 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.740 -1.373 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.643 -0.026 0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.469 -0.664 2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.065 -2.177 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.392 -2.168 3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.802 -3.273 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.730 -1.868 2.464 1.00 0.00 H new ATOM 638 N ASN A 45 18.407 -1.559 -5.410 1.00 0.00 N ATOM 639 CA ASN A 45 18.987 -1.034 -6.634 1.00 0.00 C ATOM 640 C ASN A 45 19.258 0.462 -6.464 1.00 0.00 C ATOM 641 O ASN A 45 18.957 1.256 -7.354 1.00 0.00 O ATOM 642 CB ASN A 45 18.031 -1.210 -7.816 1.00 0.00 C ATOM 643 CG ASN A 45 18.215 -2.580 -8.471 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.199 -2.849 -9.141 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.217 -3.428 -8.241 1.00 0.00 N ATOM 0 H ASN A 45 18.737 -2.487 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 45 19.909 -1.580 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.001 -1.101 -7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.208 -0.425 -8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.246 -4.369 -8.635 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.423 -3.138 -7.671 1.00 0.00 H new ATOM 652 N GLY A 46 19.823 0.802 -5.315 1.00 0.00 N ATOM 653 CA GLY A 46 20.138 2.188 -5.017 1.00 0.00 C ATOM 654 C GLY A 46 19.655 2.572 -3.617 1.00 0.00 C ATOM 655 O GLY A 46 19.452 1.705 -2.767 1.00 0.00 O ATOM 0 H GLY A 46 20.071 0.141 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.214 2.344 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.671 2.838 -5.757 1.00 0.00 H new ATOM 659 N ILE A 47 19.484 3.871 -3.419 1.00 0.00 N ATOM 660 CA ILE A 47 19.028 4.379 -2.137 1.00 0.00 C ATOM 661 C ILE A 47 17.552 4.769 -2.243 1.00 0.00 C ATOM 662 O ILE A 47 17.211 5.748 -2.905 1.00 0.00 O ATOM 663 CB ILE A 47 19.931 5.518 -1.660 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.272 4.979 -1.156 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.225 6.374 -0.607 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.064 3.917 -0.074 1.00 0.00 C ATOM 0 H ILE A 47 19.653 4.587 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 47 19.100 3.604 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 47 20.143 6.165 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.832 4.551 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.870 5.798 -0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.889 7.176 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.319 6.803 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.963 5.754 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.032 3.550 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.525 4.355 0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.486 3.088 -0.484 1.00 0.00 H new ATOM 678 N LEU A 48 16.716 3.982 -1.581 1.00 0.00 N ATOM 679 CA LEU A 48 15.285 4.233 -1.593 1.00 0.00 C ATOM 680 C LEU A 48 15.021 5.681 -1.176 1.00 0.00 C ATOM 681 O LEU A 48 15.586 6.160 -0.194 1.00 0.00 O ATOM 682 CB LEU A 48 14.553 3.202 -0.731 1.00 0.00 C ATOM 683 CG LEU A 48 14.834 1.734 -1.057 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.215 0.810 -0.006 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.366 1.387 -2.472 1.00 0.00 C ATOM 0 H LEU A 48 17.002 3.171 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 48 14.886 4.114 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.815 3.378 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.481 3.375 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 48 15.912 1.578 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.430 -0.228 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.638 1.037 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.136 0.961 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.578 0.338 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.294 1.564 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.893 2.012 -3.193 1.00 0.00 H new ATOM 697 N THR A 49 14.164 6.338 -1.944 1.00 0.00 N ATOM 698 CA THR A 49 13.819 7.722 -1.666 1.00 0.00 C ATOM 699 C THR A 49 12.477 7.801 -0.936 1.00 0.00 C ATOM 700 O THR A 49 12.153 8.823 -0.335 1.00 0.00 O ATOM 701 CB THR A 49 13.836 8.488 -2.991 1.00 0.00 C ATOM 702 OG1 THR A 49 13.250 7.583 -3.923 1.00 0.00 O ATOM 703 CG2 THR A 49 15.254 8.705 -3.523 1.00 0.00 C ATOM 0 H THR A 49 13.698 5.938 -2.758 1.00 0.00 H new ATOM 0 HA THR A 49 14.545 8.184 -0.997 1.00 0.00 H new ATOM 0 HB THR A 49 13.346 9.453 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.274 7.607 -3.833 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.210 9.253 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.831 9.277 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.733 7.740 -3.687 1.00 0.00 H new ATOM 711 N GLY A 50 11.733 6.707 -1.013 1.00 0.00 N ATOM 712 CA GLY A 50 10.433 6.640 -0.366 1.00 0.00 C ATOM 713 C GLY A 50 9.636 5.431 -0.862 1.00 0.00 C ATOM 714 O GLY A 50 10.144 4.626 -1.641 1.00 0.00 O ATOM 0 H GLY A 50 12.005 5.861 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.563 6.576 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.875 7.555 -0.566 1.00 0.00 H new ATOM 718 N TYR A 51 8.401 5.343 -0.390 1.00 0.00 N ATOM 719 CA TYR A 51 7.529 4.247 -0.776 1.00 0.00 C ATOM 720 C TYR A 51 6.140 4.760 -1.160 1.00 0.00 C ATOM 721 O TYR A 51 5.478 5.425 -0.364 1.00 0.00 O ATOM 722 CB TYR A 51 7.406 3.352 0.459 1.00 0.00 C ATOM 723 CG TYR A 51 8.723 2.705 0.892 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.279 1.695 0.134 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.356 3.132 2.042 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.518 1.086 0.542 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.596 2.524 2.451 1.00 0.00 C ATOM 728 CZ TYR A 51 11.116 1.531 1.680 1.00 0.00 C ATOM 729 OH TYR A 51 12.287 0.956 2.066 1.00 0.00 O ATOM 0 H TYR A 51 7.984 6.013 0.256 1.00 0.00 H new ATOM 0 HA TYR A 51 7.936 3.718 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.014 3.944 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.677 2.567 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.784 1.361 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.921 3.923 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.963 0.294 -0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.101 2.849 3.349 1.00 0.00 H new ATOM 0 HH TYR A 51 12.599 1.374 2.895 1.00 0.00 H new ATOM 739 N ARG A 52 5.739 4.431 -2.379 1.00 0.00 N ATOM 740 CA ARG A 52 4.440 4.851 -2.878 1.00 0.00 C ATOM 741 C ARG A 52 3.375 3.811 -2.524 1.00 0.00 C ATOM 742 O ARG A 52 3.464 2.658 -2.942 1.00 0.00 O ATOM 743 CB ARG A 52 4.469 5.045 -4.395 1.00 0.00 C ATOM 744 CG ARG A 52 3.416 6.062 -4.838 1.00 0.00 C ATOM 745 CD ARG A 52 2.918 5.756 -6.252 1.00 0.00 C ATOM 746 NE ARG A 52 3.916 6.205 -7.248 1.00 0.00 N ATOM 747 CZ ARG A 52 3.720 6.175 -8.574 1.00 0.00 C ATOM 748 NH1 ARG A 52 2.562 5.718 -9.070 1.00 0.00 N ATOM 749 NH2 ARG A 52 4.681 6.603 -9.403 1.00 0.00 N ATOM 0 H ARG A 52 6.290 3.879 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 52 4.195 5.803 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.458 5.383 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.289 4.091 -4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.577 6.048 -4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.839 7.066 -4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.740 4.686 -6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.966 6.257 -6.428 1.00 0.00 H new ATOM 0 HE ARG A 52 4.809 6.559 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.830 5.393 -8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.413 5.695 -10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.562 6.952 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.532 6.580 -10.412 1.00 0.00 H new ATOM 763 N ILE A 53 2.390 4.257 -1.757 1.00 0.00 N ATOM 764 CA ILE A 53 1.309 3.379 -1.342 1.00 0.00 C ATOM 765 C ILE A 53 0.041 3.737 -2.121 1.00 0.00 C ATOM 766 O ILE A 53 -0.191 4.903 -2.434 1.00 0.00 O ATOM 767 CB ILE A 53 1.132 3.428 0.177 1.00 0.00 C ATOM 768 CG1 ILE A 53 -0.158 2.724 0.601 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.195 4.868 0.690 1.00 0.00 C ATOM 770 CD1 ILE A 53 -0.103 2.321 2.076 1.00 0.00 C ATOM 0 H ILE A 53 2.318 5.214 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 53 1.548 2.342 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 53 1.960 2.887 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.009 3.384 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.313 1.839 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.066 4.875 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.162 5.302 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.401 5.454 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.032 1.822 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.735 1.642 2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.028 3.211 2.692 1.00 0.00 H new ATOM 782 N SER A 54 -0.746 2.711 -2.410 1.00 0.00 N ATOM 783 CA SER A 54 -1.984 2.902 -3.146 1.00 0.00 C ATOM 784 C SER A 54 -2.991 1.813 -2.768 1.00 0.00 C ATOM 785 O SER A 54 -2.801 0.645 -3.103 1.00 0.00 O ATOM 786 CB SER A 54 -1.735 2.894 -4.655 1.00 0.00 C ATOM 787 OG SER A 54 -0.350 2.770 -4.967 1.00 0.00 O ATOM 0 H SER A 54 -0.550 1.745 -2.148 1.00 0.00 H new ATOM 0 HA SER A 54 -2.394 3.876 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.284 2.069 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.124 3.814 -5.092 1.00 0.00 H new ATOM 0 HG SER A 54 -0.233 2.767 -5.940 1.00 0.00 H new ATOM 793 N TRP A 55 -4.039 2.235 -2.077 1.00 0.00 N ATOM 794 CA TRP A 55 -5.076 1.310 -1.651 1.00 0.00 C ATOM 795 C TRP A 55 -6.275 1.480 -2.586 1.00 0.00 C ATOM 796 O TRP A 55 -6.552 2.584 -3.052 1.00 0.00 O ATOM 797 CB TRP A 55 -5.431 1.526 -0.178 1.00 0.00 C ATOM 798 CG TRP A 55 -6.060 2.889 0.117 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.315 3.289 -0.129 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.409 4.022 0.729 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.519 4.592 0.277 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.323 5.052 0.815 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.090 4.172 1.193 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.018 6.304 1.362 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.801 5.430 1.736 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.710 6.477 1.831 1.00 0.00 C ATOM 0 H TRP A 55 -4.193 3.205 -1.801 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.726 0.280 -1.718 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.121 0.743 0.137 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.528 1.416 0.423 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.072 2.670 -0.587 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.388 5.120 0.197 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.358 3.380 1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.752 7.094 1.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.801 5.599 2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.409 7.419 2.264 1.00 0.00 H new ATOM 817 N GLU A 56 -6.954 0.370 -2.832 1.00 0.00 N ATOM 818 CA GLU A 56 -8.117 0.382 -3.704 1.00 0.00 C ATOM 819 C GLU A 56 -8.916 -0.913 -3.541 1.00 0.00 C ATOM 820 O GLU A 56 -8.399 -1.905 -3.029 1.00 0.00 O ATOM 821 CB GLU A 56 -7.707 0.593 -5.162 1.00 0.00 C ATOM 822 CG GLU A 56 -7.018 -0.652 -5.724 1.00 0.00 C ATOM 823 CD GLU A 56 -6.992 -0.621 -7.254 1.00 0.00 C ATOM 824 OE1 GLU A 56 -6.340 0.299 -7.792 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.626 -1.519 -7.850 1.00 0.00 O ATOM 0 H GLU A 56 -6.722 -0.544 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.754 1.218 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.587 0.827 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.035 1.448 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.999 -0.713 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.540 -1.546 -5.384 1.00 0.00 H new ATOM 832 N GLU A 57 -10.162 -0.862 -3.986 1.00 0.00 N ATOM 833 CA GLU A 57 -11.038 -2.018 -3.896 1.00 0.00 C ATOM 834 C GLU A 57 -10.384 -3.232 -4.560 1.00 0.00 C ATOM 835 O GLU A 57 -9.276 -3.134 -5.086 1.00 0.00 O ATOM 836 CB GLU A 57 -12.403 -1.722 -4.519 1.00 0.00 C ATOM 837 CG GLU A 57 -13.412 -1.295 -3.451 1.00 0.00 C ATOM 838 CD GLU A 57 -14.422 -2.410 -3.173 1.00 0.00 C ATOM 839 OE1 GLU A 57 -14.010 -3.586 -3.269 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.584 -2.061 -2.871 1.00 0.00 O ATOM 0 H GLU A 57 -10.587 -0.038 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.199 -2.246 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.303 -0.934 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.770 -2.608 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.886 -1.038 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.937 -0.398 -3.780 1.00 0.00 H new ATOM 847 N TYR A 58 -11.096 -4.347 -4.513 1.00 0.00 N ATOM 848 CA TYR A 58 -10.599 -5.578 -5.103 1.00 0.00 C ATOM 849 C TYR A 58 -10.307 -5.393 -6.594 1.00 0.00 C ATOM 850 O TYR A 58 -9.171 -5.563 -7.033 1.00 0.00 O ATOM 851 CB TYR A 58 -11.720 -6.607 -4.940 1.00 0.00 C ATOM 852 CG TYR A 58 -11.564 -7.843 -5.828 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.457 -8.657 -5.691 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.530 -8.145 -6.766 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.311 -9.820 -6.527 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.383 -9.309 -7.602 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.281 -10.089 -7.441 1.00 0.00 C ATOM 858 OH TYR A 58 -11.142 -11.187 -8.230 1.00 0.00 O ATOM 0 H TYR A 58 -12.014 -4.424 -4.075 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.673 -5.888 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.760 -6.924 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.674 -6.129 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.701 -8.421 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.396 -7.509 -6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.450 -10.465 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.131 -9.557 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.910 -11.255 -8.835 1.00 0.00 H new ATOM 868 N ASN A 59 -11.352 -5.046 -7.330 1.00 0.00 N ATOM 869 CA ASN A 59 -11.222 -4.835 -8.762 1.00 0.00 C ATOM 870 C ASN A 59 -11.818 -3.475 -9.130 1.00 0.00 C ATOM 871 O ASN A 59 -12.789 -3.402 -9.881 1.00 0.00 O ATOM 872 CB ASN A 59 -11.975 -5.910 -9.548 1.00 0.00 C ATOM 873 CG ASN A 59 -11.276 -6.210 -10.875 1.00 0.00 C ATOM 874 OD1 ASN A 59 -10.876 -5.322 -11.610 1.00 0.00 O ATOM 875 ND2 ASN A 59 -11.153 -7.507 -11.141 1.00 0.00 N ATOM 0 H ASN A 59 -12.293 -4.906 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.162 -4.880 -9.014 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.041 -6.821 -8.953 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.996 -5.579 -9.738 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.701 -7.810 -12.004 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.510 -8.199 -10.482 1.00 0.00 H new ATOM 882 N ARG A 60 -11.212 -2.431 -8.582 1.00 0.00 N ATOM 883 CA ARG A 60 -11.672 -1.078 -8.843 1.00 0.00 C ATOM 884 C ARG A 60 -10.533 -0.080 -8.624 1.00 0.00 C ATOM 885 O ARG A 60 -10.001 0.029 -7.521 1.00 0.00 O ATOM 886 CB ARG A 60 -12.845 -0.709 -7.933 1.00 0.00 C ATOM 887 CG ARG A 60 -13.611 -1.959 -7.493 1.00 0.00 C ATOM 888 CD ARG A 60 -14.737 -1.598 -6.522 1.00 0.00 C ATOM 889 NE ARG A 60 -16.051 -1.871 -7.146 1.00 0.00 N ATOM 890 CZ ARG A 60 -16.585 -3.094 -7.267 1.00 0.00 C ATOM 891 NH1 ARG A 60 -15.922 -4.164 -6.807 1.00 0.00 N ATOM 892 NH2 ARG A 60 -17.783 -3.248 -7.848 1.00 0.00 N ATOM 0 H ARG A 60 -10.407 -2.495 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.005 -1.035 -9.880 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.476 -0.176 -7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.518 -0.031 -8.458 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.026 -2.462 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.926 -2.661 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.635 -2.175 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.668 -0.546 -6.247 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.583 -1.079 -7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.010 -4.048 -6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.329 -5.095 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.288 -2.434 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -18.189 -4.179 -7.940 1.00 0.00 H new ATOM 906 N THR A 61 -10.193 0.625 -9.694 1.00 0.00 N ATOM 907 CA THR A 61 -9.127 1.611 -9.633 1.00 0.00 C ATOM 908 C THR A 61 -9.682 2.971 -9.205 1.00 0.00 C ATOM 909 O THR A 61 -8.962 3.788 -8.635 1.00 0.00 O ATOM 910 CB THR A 61 -8.432 1.639 -10.995 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.747 0.392 -11.062 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.314 2.682 -11.060 1.00 0.00 C ATOM 0 H THR A 61 -10.637 0.533 -10.608 1.00 0.00 H new ATOM 0 HA THR A 61 -8.386 1.347 -8.879 1.00 0.00 H new ATOM 0 HB THR A 61 -9.167 1.845 -11.773 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.270 0.326 -11.916 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.853 2.661 -12.048 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.729 3.673 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.562 2.457 -10.304 1.00 0.00 H new ATOM 920 N ASN A 62 -10.959 3.171 -9.498 1.00 0.00 N ATOM 921 CA ASN A 62 -11.619 4.418 -9.150 1.00 0.00 C ATOM 922 C ASN A 62 -11.278 4.785 -7.705 1.00 0.00 C ATOM 923 O ASN A 62 -11.082 5.958 -7.388 1.00 0.00 O ATOM 924 CB ASN A 62 -13.139 4.285 -9.259 1.00 0.00 C ATOM 925 CG ASN A 62 -13.671 5.043 -10.477 1.00 0.00 C ATOM 926 OD1 ASN A 62 -13.113 4.996 -11.561 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.777 5.742 -10.239 1.00 0.00 N ATOM 0 H ASN A 62 -11.553 2.491 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.274 5.187 -9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.411 3.232 -9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.607 4.671 -8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.210 6.283 -10.988 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.193 5.738 -9.307 1.00 0.00 H new ATOM 934 N THR A 63 -11.218 3.761 -6.866 1.00 0.00 N ATOM 935 CA THR A 63 -10.905 3.961 -5.462 1.00 0.00 C ATOM 936 C THR A 63 -9.398 3.833 -5.228 1.00 0.00 C ATOM 937 O THR A 63 -8.968 3.327 -4.193 1.00 0.00 O ATOM 938 CB THR A 63 -11.733 2.967 -4.646 1.00 0.00 C ATOM 939 OG1 THR A 63 -10.991 1.753 -4.722 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.068 2.630 -5.313 1.00 0.00 C ATOM 0 H THR A 63 -11.381 2.790 -7.132 1.00 0.00 H new ATOM 0 HA THR A 63 -11.168 4.968 -5.138 1.00 0.00 H new ATOM 0 HB THR A 63 -11.917 3.377 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.908 1.479 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.616 1.921 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.656 3.540 -5.430 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.884 2.189 -6.293 1.00 0.00 H new ATOM 948 N ARG A 64 -8.638 4.300 -6.208 1.00 0.00 N ATOM 949 CA ARG A 64 -7.188 4.244 -6.122 1.00 0.00 C ATOM 950 C ARG A 64 -6.636 5.571 -5.599 1.00 0.00 C ATOM 951 O ARG A 64 -6.904 6.627 -6.170 1.00 0.00 O ATOM 952 CB ARG A 64 -6.567 3.942 -7.487 1.00 0.00 C ATOM 953 CG ARG A 64 -5.043 4.068 -7.436 1.00 0.00 C ATOM 954 CD ARG A 64 -4.372 2.729 -7.750 1.00 0.00 C ATOM 955 NE ARG A 64 -3.215 2.942 -8.648 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.179 2.099 -8.751 1.00 0.00 C ATOM 957 NH1 ARG A 64 -2.148 0.981 -8.012 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.172 2.373 -9.592 1.00 0.00 N ATOM 0 H ARG A 64 -8.999 4.719 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.927 3.442 -5.432 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.842 2.935 -7.801 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.968 4.629 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.713 4.821 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.736 4.410 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.043 2.252 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.088 2.055 -8.220 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.206 3.783 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.913 0.772 -7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.359 0.339 -8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.194 3.224 -10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.383 1.731 -9.670 1.00 0.00 H new ATOM 972 N VAL A 65 -5.874 5.474 -4.520 1.00 0.00 N ATOM 973 CA VAL A 65 -5.281 6.654 -3.914 1.00 0.00 C ATOM 974 C VAL A 65 -3.768 6.632 -4.139 1.00 0.00 C ATOM 975 O VAL A 65 -3.175 5.566 -4.293 1.00 0.00 O ATOM 976 CB VAL A 65 -5.664 6.732 -2.434 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.965 5.634 -1.629 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.355 8.115 -1.860 1.00 0.00 C ATOM 0 H VAL A 65 -5.653 4.596 -4.049 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.667 7.559 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.739 6.571 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.254 5.711 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.258 4.658 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.885 5.750 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.637 8.143 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.289 8.319 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.919 8.870 -2.407 1.00 0.00 H new ATOM 988 N THR A 66 -3.186 7.823 -4.151 1.00 0.00 N ATOM 989 CA THR A 66 -1.753 7.954 -4.355 1.00 0.00 C ATOM 990 C THR A 66 -1.113 8.697 -3.180 1.00 0.00 C ATOM 991 O THR A 66 -1.413 9.866 -2.943 1.00 0.00 O ATOM 992 CB THR A 66 -1.528 8.640 -5.703 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.190 7.793 -6.639 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.063 8.606 -6.140 1.00 0.00 C ATOM 0 H THR A 66 -3.681 8.706 -4.023 1.00 0.00 H new ATOM 0 HA THR A 66 -1.267 6.979 -4.386 1.00 0.00 H new ATOM 0 HB THR A 66 -1.865 9.675 -5.644 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.095 8.165 -7.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.041 9.106 -7.103 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.550 9.117 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.265 7.571 -6.232 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.244 7.987 -2.476 1.00 0.00 N ATOM 1003 CA HIS A 67 0.441 8.565 -1.332 1.00 0.00 C ATOM 1004 C HIS A 67 1.950 8.364 -1.482 1.00 0.00 C ATOM 1005 O HIS A 67 2.392 7.483 -2.218 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.107 7.991 -0.024 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.163 8.850 0.630 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.251 8.509 1.379 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.164 10.231 0.544 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -2.882 9.622 1.732 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.210 10.690 1.216 1.00 0.00 N flip ATOM 0 H HIS A 67 0.002 7.017 -2.675 1.00 0.00 H new ATOM 0 HA HIS A 67 0.255 9.638 -1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.526 7.004 -0.220 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.719 7.854 0.674 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.532 7.560 1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.437 10.832 0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.780 9.673 2.330 1.00 0.00 H new ATOM 1019 N TYR A 68 2.699 9.194 -0.772 1.00 0.00 N ATOM 1020 CA TYR A 68 4.149 9.119 -0.816 1.00 0.00 C ATOM 1021 C TYR A 68 4.743 9.126 0.594 1.00 0.00 C ATOM 1022 O TYR A 68 4.418 9.993 1.403 1.00 0.00 O ATOM 1023 CB TYR A 68 4.614 10.373 -1.559 1.00 0.00 C ATOM 1024 CG TYR A 68 4.227 10.401 -3.038 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.735 9.452 -3.902 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.369 11.374 -3.509 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.370 9.478 -5.295 1.00 0.00 C ATOM 1028 CE2 TYR A 68 3.004 11.400 -4.902 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.523 10.450 -5.726 1.00 0.00 C ATOM 1030 OH TYR A 68 3.178 10.475 -7.042 1.00 0.00 O ATOM 0 H TYR A 68 2.328 9.923 -0.162 1.00 0.00 H new ATOM 0 HA TYR A 68 4.470 8.200 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.194 11.250 -1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.698 10.450 -1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.406 8.690 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.971 12.116 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.761 8.742 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.334 12.156 -5.284 1.00 0.00 H new ATOM 0 HH TYR A 68 2.566 11.223 -7.206 1.00 0.00 H new ATOM 1040 N LEU A 69 5.602 8.148 0.845 1.00 0.00 N ATOM 1041 CA LEU A 69 6.243 8.031 2.143 1.00 0.00 C ATOM 1042 C LEU A 69 7.762 8.081 1.963 1.00 0.00 C ATOM 1043 O LEU A 69 8.269 7.842 0.869 1.00 0.00 O ATOM 1044 CB LEU A 69 5.752 6.779 2.872 1.00 0.00 C ATOM 1045 CG LEU A 69 4.248 6.505 2.796 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.941 5.039 3.110 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.470 7.460 3.703 1.00 0.00 C ATOM 0 H LEU A 69 5.868 7.430 0.171 1.00 0.00 H new ATOM 0 HA LEU A 69 5.969 8.872 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.279 5.916 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.034 6.860 3.922 1.00 0.00 H new ATOM 0 HG LEU A 69 3.918 6.691 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.866 4.871 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.450 4.398 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.289 4.802 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.404 7.244 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.797 7.329 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.654 8.488 3.392 1.00 0.00 H new ATOM 1059 N PRO A 70 8.463 8.403 3.083 1.00 0.00 N ATOM 1060 CA PRO A 70 9.913 8.488 3.060 1.00 0.00 C ATOM 1061 C PRO A 70 10.544 7.095 3.024 1.00 0.00 C ATOM 1062 O PRO A 70 9.837 6.089 3.059 1.00 0.00 O ATOM 1063 CB PRO A 70 10.281 9.275 4.307 1.00 0.00 C ATOM 1064 CG PRO A 70 9.068 9.199 5.221 1.00 0.00 C ATOM 1065 CD PRO A 70 7.895 8.693 4.397 1.00 0.00 C ATOM 0 HA PRO A 70 10.291 8.984 2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.161 8.852 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.520 10.309 4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.263 8.530 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.845 10.180 5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.453 7.802 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.105 9.441 4.331 1.00 0.00 H new ATOM 1073 N ASN A 71 11.867 7.080 2.954 1.00 0.00 N ATOM 1074 CA ASN A 71 12.600 5.827 2.913 1.00 0.00 C ATOM 1075 C ASN A 71 12.903 5.371 4.341 1.00 0.00 C ATOM 1076 O ASN A 71 13.908 4.704 4.584 1.00 0.00 O ATOM 1077 CB ASN A 71 13.932 5.992 2.177 1.00 0.00 C ATOM 1078 CG ASN A 71 14.817 7.029 2.872 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.347 7.954 3.513 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.121 6.824 2.709 1.00 0.00 N ATOM 0 H ASN A 71 12.450 7.916 2.925 1.00 0.00 H new ATOM 0 HA ASN A 71 11.986 5.095 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.451 5.034 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.747 6.298 1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.794 7.462 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.448 6.029 2.160 1.00 0.00 H new ATOM 1087 N VAL A 72 12.014 5.747 5.249 1.00 0.00 N ATOM 1088 CA VAL A 72 12.173 5.385 6.647 1.00 0.00 C ATOM 1089 C VAL A 72 10.912 4.666 7.130 1.00 0.00 C ATOM 1090 O VAL A 72 10.986 3.774 7.974 1.00 0.00 O ATOM 1091 CB VAL A 72 12.507 6.627 7.475 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.830 7.249 7.022 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.371 7.650 7.412 1.00 0.00 C ATOM 0 H VAL A 72 11.181 6.299 5.043 1.00 0.00 H new ATOM 0 HA VAL A 72 13.008 4.695 6.770 1.00 0.00 H new ATOM 0 HB VAL A 72 12.621 6.316 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 72 14.044 8.130 7.627 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.634 6.523 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.756 7.538 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.634 8.523 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.211 7.953 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.457 7.204 7.805 1.00 0.00 H new ATOM 1103 N THR A 73 9.783 5.081 6.574 1.00 0.00 N ATOM 1104 CA THR A 73 8.507 4.488 6.937 1.00 0.00 C ATOM 1105 C THR A 73 8.186 3.310 6.016 1.00 0.00 C ATOM 1106 O THR A 73 8.477 3.352 4.822 1.00 0.00 O ATOM 1107 CB THR A 73 7.447 5.591 6.906 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.641 6.294 8.130 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.025 5.039 7.014 1.00 0.00 C ATOM 0 H THR A 73 9.725 5.821 5.875 1.00 0.00 H new ATOM 0 HA THR A 73 8.535 4.074 7.945 1.00 0.00 H new ATOM 0 HB THR A 73 7.545 6.163 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.995 7.028 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.312 5.863 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.832 4.365 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.916 4.495 7.952 1.00 0.00 H new ATOM 1117 N LEU A 74 7.588 2.285 6.606 1.00 0.00 N ATOM 1118 CA LEU A 74 7.224 1.096 5.854 1.00 0.00 C ATOM 1119 C LEU A 74 5.788 0.699 6.201 1.00 0.00 C ATOM 1120 O LEU A 74 5.324 -0.371 5.810 1.00 0.00 O ATOM 1121 CB LEU A 74 8.244 -0.020 6.087 1.00 0.00 C ATOM 1122 CG LEU A 74 9.700 0.425 6.244 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.437 -0.458 7.253 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.410 0.463 4.890 1.00 0.00 C ATOM 0 H LEU A 74 7.346 2.254 7.596 1.00 0.00 H new ATOM 0 HA LEU A 74 7.250 1.300 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.954 -0.569 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.186 -0.718 5.252 1.00 0.00 H new ATOM 0 HG LEU A 74 9.706 1.441 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.469 -0.121 7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.945 -0.391 8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.423 -1.492 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.443 0.782 5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.395 -0.531 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.899 1.165 4.231 1.00 0.00 H new ATOM 1136 N GLU A 75 5.123 1.582 6.932 1.00 0.00 N ATOM 1137 CA GLU A 75 3.749 1.337 7.336 1.00 0.00 C ATOM 1138 C GLU A 75 2.934 2.629 7.259 1.00 0.00 C ATOM 1139 O GLU A 75 3.473 3.719 7.448 1.00 0.00 O ATOM 1140 CB GLU A 75 3.690 0.735 8.742 1.00 0.00 C ATOM 1141 CG GLU A 75 3.911 1.810 9.808 1.00 0.00 C ATOM 1142 CD GLU A 75 4.514 1.206 11.078 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.181 0.157 10.947 1.00 0.00 O ATOM 1144 OE2 GLU A 75 4.294 1.808 12.152 1.00 0.00 O ATOM 0 H GLU A 75 5.511 2.468 7.255 1.00 0.00 H new ATOM 0 HA GLU A 75 3.312 0.614 6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.722 0.258 8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.448 -0.042 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.574 2.583 9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.963 2.293 10.045 1.00 0.00 H new ATOM 1151 N TYR A 76 1.650 2.465 6.980 1.00 0.00 N ATOM 1152 CA TYR A 76 0.755 3.605 6.875 1.00 0.00 C ATOM 1153 C TYR A 76 -0.704 3.174 7.034 1.00 0.00 C ATOM 1154 O TYR A 76 -1.118 2.156 6.481 1.00 0.00 O ATOM 1155 CB TYR A 76 0.957 4.172 5.468 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.076 5.228 5.068 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.354 4.845 4.717 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.272 6.564 5.059 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.325 5.839 4.340 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.700 7.558 4.683 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.950 7.146 4.342 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.868 8.086 3.987 1.00 0.00 O ATOM 0 H TYR A 76 1.207 1.560 6.823 1.00 0.00 H new ATOM 0 HA TYR A 76 0.971 4.335 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.953 4.610 5.404 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.922 3.353 4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.626 3.800 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.273 6.864 5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.329 5.553 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.442 8.607 4.672 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.677 8.924 4.458 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.444 3.970 7.792 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.848 3.683 8.031 1.00 0.00 C ATOM 1174 C ARG A 77 -3.706 4.253 6.899 1.00 0.00 C ATOM 1175 O ARG A 77 -3.521 5.399 6.492 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.313 4.276 9.362 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.798 3.993 9.600 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.049 3.566 11.047 1.00 0.00 C ATOM 1179 NE ARG A 77 -4.560 4.609 11.976 1.00 0.00 N ATOM 1180 CZ ARG A 77 -4.301 4.399 13.273 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -4.483 3.182 13.804 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -3.860 5.405 14.040 1.00 0.00 N ATOM 0 H ARG A 77 -1.097 4.814 8.249 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.963 2.600 8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.724 3.856 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.139 5.352 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.383 4.885 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.136 3.209 8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.114 3.397 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.543 2.622 11.249 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.411 5.547 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.819 2.416 13.220 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.286 3.022 14.792 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.721 6.331 13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.663 5.245 15.028 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.626 3.427 6.423 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.513 3.834 5.347 1.00 0.00 C ATOM 1198 C VAL A 78 -6.892 4.161 5.924 1.00 0.00 C ATOM 1199 O VAL A 78 -7.284 3.612 6.952 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.558 2.750 4.268 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -4.787 1.505 4.709 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -7.002 2.400 3.902 1.00 0.00 C ATOM 0 H VAL A 78 -4.776 2.477 6.763 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.140 4.738 4.866 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.073 3.146 3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.835 0.750 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.746 1.769 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.230 1.107 5.622 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.005 1.627 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.523 2.034 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.508 3.289 3.525 1.00 0.00 H new ATOM 1212 N THR A 79 -7.589 5.053 5.237 1.00 0.00 N ATOM 1213 CA THR A 79 -8.916 5.460 5.668 1.00 0.00 C ATOM 1214 C THR A 79 -9.739 5.946 4.474 1.00 0.00 C ATOM 1215 O THR A 79 -9.208 6.589 3.570 1.00 0.00 O ATOM 1216 CB THR A 79 -8.754 6.514 6.765 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.192 7.635 6.088 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.691 6.129 7.795 1.00 0.00 C ATOM 0 H THR A 79 -7.260 5.506 4.384 1.00 0.00 H new ATOM 0 HA THR A 79 -9.472 4.620 6.084 1.00 0.00 H new ATOM 0 HB THR A 79 -9.709 6.664 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.055 8.367 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.616 6.911 8.551 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.970 5.189 8.272 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.728 6.012 7.298 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.023 5.620 4.509 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.925 6.016 3.441 1.00 0.00 C ATOM 1228 C GLY A 80 -12.251 4.830 2.531 1.00 0.00 C ATOM 1229 O GLY A 80 -12.564 5.012 1.355 1.00 0.00 O ATOM 0 H GLY A 80 -11.460 5.086 5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.845 6.416 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.471 6.815 2.855 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.166 3.641 3.109 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.448 2.425 2.365 1.00 0.00 C ATOM 1235 C LEU A 81 -13.926 2.064 2.527 1.00 0.00 C ATOM 1236 O LEU A 81 -14.770 2.944 2.692 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.493 1.306 2.784 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.083 1.744 3.187 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.398 0.673 4.038 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.252 2.117 1.957 1.00 0.00 C ATOM 0 H LEU A 81 -11.906 3.494 4.084 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.272 2.581 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.939 0.769 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.410 0.598 1.959 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.167 2.639 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.398 1.010 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.981 0.499 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.326 -0.254 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.255 2.425 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.174 1.254 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.735 2.938 1.427 1.00 0.00 H new ATOM 1252 N THR A 82 -14.195 0.768 2.475 1.00 0.00 N ATOM 1253 CA THR A 82 -15.557 0.280 2.615 1.00 0.00 C ATOM 1254 C THR A 82 -15.616 -0.848 3.647 1.00 0.00 C ATOM 1255 O THR A 82 -14.656 -1.600 3.806 1.00 0.00 O ATOM 1256 CB THR A 82 -16.053 -0.139 1.229 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.687 0.950 0.386 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.580 -0.181 1.142 1.00 0.00 C ATOM 0 H THR A 82 -13.493 0.041 2.338 1.00 0.00 H new ATOM 0 HA THR A 82 -16.219 1.059 2.993 1.00 0.00 H new ATOM 0 HB THR A 82 -15.648 -1.120 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.908 0.699 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.879 -0.484 0.138 1.00 0.00 H new ATOM 0 HG22 THR A 82 -17.966 -0.897 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.984 0.808 1.358 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.753 -0.930 4.322 1.00 0.00 N ATOM 1267 CA ALA A 83 -16.950 -1.952 5.335 1.00 0.00 C ATOM 1268 C ALA A 83 -17.075 -3.318 4.657 1.00 0.00 C ATOM 1269 O ALA A 83 -17.675 -3.433 3.589 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.179 -1.606 6.178 1.00 0.00 C ATOM 0 H ALA A 83 -17.548 -0.305 4.187 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.094 -1.994 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.327 -2.373 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.029 -0.641 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.059 -1.557 5.536 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.497 -4.320 5.304 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.536 -5.673 4.777 1.00 0.00 C ATOM 1278 C LEU A 84 -16.365 -5.629 3.258 1.00 0.00 C ATOM 1279 O LEU A 84 -17.247 -6.060 2.517 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.810 -6.389 5.231 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.021 -6.487 6.744 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.138 -7.478 7.078 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.714 -6.833 7.458 1.00 0.00 C ATOM 0 H LEU A 84 -15.999 -4.221 6.189 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.708 -6.260 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.667 -5.874 4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.803 -7.398 4.819 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.338 -5.510 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.268 -7.529 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.068 -7.147 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -18.875 -8.465 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.892 -6.897 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.343 -7.791 7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -15.974 -6.058 7.258 1.00 0.00 H new ATOM 1295 N THR A 85 -15.223 -5.104 2.838 1.00 0.00 N ATOM 1296 CA THR A 85 -14.924 -4.997 1.420 1.00 0.00 C ATOM 1297 C THR A 85 -13.476 -5.409 1.148 1.00 0.00 C ATOM 1298 O THR A 85 -12.582 -5.107 1.938 1.00 0.00 O ATOM 1299 CB THR A 85 -15.244 -3.569 0.975 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.603 -3.633 0.552 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.480 -3.164 -0.287 1.00 0.00 C ATOM 0 H THR A 85 -14.493 -4.748 3.455 1.00 0.00 H new ATOM 0 HA THR A 85 -15.539 -5.680 0.834 1.00 0.00 H new ATOM 0 HB THR A 85 -15.006 -2.876 1.782 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.067 -4.340 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.744 -2.142 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.408 -3.224 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 85 -14.743 -3.837 -1.103 1.00 0.00 H new ATOM 1309 N THR A 86 -13.288 -6.091 0.028 1.00 0.00 N ATOM 1310 CA THR A 86 -11.963 -6.546 -0.358 1.00 0.00 C ATOM 1311 C THR A 86 -11.180 -5.410 -1.018 1.00 0.00 C ATOM 1312 O THR A 86 -11.589 -4.889 -2.055 1.00 0.00 O ATOM 1313 CB THR A 86 -12.129 -7.772 -1.258 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.855 -8.698 -0.454 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.800 -8.480 -1.533 1.00 0.00 C ATOM 0 H THR A 86 -14.031 -6.340 -0.625 1.00 0.00 H new ATOM 0 HA THR A 86 -11.376 -6.840 0.512 1.00 0.00 H new ATOM 0 HB THR A 86 -12.583 -7.470 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.008 -9.522 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.974 -9.343 -2.176 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.116 -7.790 -2.028 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.363 -8.812 -0.591 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.068 -5.058 -0.390 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.223 -3.993 -0.903 1.00 0.00 C ATOM 1325 C TYR A 87 -7.795 -4.489 -1.135 1.00 0.00 C ATOM 1326 O TYR A 87 -7.295 -5.326 -0.385 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.205 -2.911 0.179 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.310 -1.864 0.031 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.545 -2.077 0.609 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.072 -0.706 -0.682 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.585 -1.091 0.470 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.113 0.280 -0.821 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.318 0.039 -0.239 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.300 0.970 -0.371 1.00 0.00 O ATOM 0 H TYR A 87 -9.732 -5.492 0.470 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.605 -3.626 -1.856 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.298 -3.387 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.238 -2.409 0.160 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.731 -2.983 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.106 -0.539 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.555 -1.245 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -10.940 1.191 -1.375 1.00 0.00 H new ATOM 0 HH TYR A 87 -12.967 1.724 -0.901 1.00 0.00 H new ATOM 1344 N THR A 88 -7.178 -3.953 -2.178 1.00 0.00 N ATOM 1345 CA THR A 88 -5.817 -4.331 -2.519 1.00 0.00 C ATOM 1346 C THR A 88 -4.871 -3.144 -2.330 1.00 0.00 C ATOM 1347 O THR A 88 -4.907 -2.187 -3.102 1.00 0.00 O ATOM 1348 CB THR A 88 -5.823 -4.882 -3.946 1.00 0.00 C ATOM 1349 OG1 THR A 88 -6.016 -6.284 -3.776 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.454 -4.774 -4.621 1.00 0.00 C ATOM 0 H THR A 88 -7.596 -3.260 -2.798 1.00 0.00 H new ATOM 0 HA THR A 88 -5.445 -5.112 -1.855 1.00 0.00 H new ATOM 0 HB THR A 88 -6.564 -4.345 -4.539 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.034 -6.720 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.513 -5.179 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.152 -3.728 -4.667 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.720 -5.338 -4.047 1.00 0.00 H new ATOM 1358 N ILE A 89 -4.045 -3.244 -1.299 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.091 -2.191 -0.998 1.00 0.00 C ATOM 1360 C ILE A 89 -1.797 -2.445 -1.774 1.00 0.00 C ATOM 1361 O ILE A 89 -1.137 -3.463 -1.570 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.888 -2.066 0.513 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.204 -2.286 1.263 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.241 -0.727 0.871 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.330 -1.451 0.650 1.00 0.00 C ATOM 0 H ILE A 89 -4.017 -4.039 -0.661 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.475 -1.225 -1.324 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.201 -2.850 0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.472 -3.342 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.078 -2.019 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.108 -0.664 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.271 -0.649 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.883 0.088 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.254 -1.626 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.070 -0.394 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.470 -1.738 -0.392 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.472 -1.503 -2.647 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.269 -1.612 -3.453 1.00 0.00 C ATOM 1379 C GLU A 90 0.830 -0.707 -2.893 1.00 0.00 C ATOM 1380 O GLU A 90 0.688 0.515 -2.884 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.559 -1.280 -4.918 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.774 -2.058 -5.427 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.829 -1.112 -6.003 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -3.374 -0.317 -5.207 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.067 -1.204 -7.227 1.00 0.00 O ATOM 0 H GLU A 90 -2.022 -0.660 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 90 0.081 -2.643 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.738 -0.210 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.312 -1.519 -5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.461 -2.768 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.207 -2.638 -4.612 1.00 0.00 H new ATOM 1392 N VAL A 91 1.901 -1.341 -2.439 1.00 0.00 N ATOM 1393 CA VAL A 91 3.023 -0.608 -1.878 1.00 0.00 C ATOM 1394 C VAL A 91 4.245 -0.786 -2.781 1.00 0.00 C ATOM 1395 O VAL A 91 4.724 -1.903 -2.970 1.00 0.00 O ATOM 1396 CB VAL A 91 3.274 -1.057 -0.437 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.662 -0.625 0.038 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.185 -0.529 0.499 1.00 0.00 C ATOM 0 H VAL A 91 2.016 -2.355 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 91 2.801 0.458 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 91 3.236 -2.146 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.815 -0.957 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.421 -1.071 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.741 0.461 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.387 -0.862 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.176 0.561 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.215 -0.908 0.179 1.00 0.00 H new ATOM 1408 N ALA A 92 4.715 0.332 -3.314 1.00 0.00 N ATOM 1409 CA ALA A 92 5.872 0.314 -4.193 1.00 0.00 C ATOM 1410 C ALA A 92 7.028 1.061 -3.523 1.00 0.00 C ATOM 1411 O ALA A 92 6.821 1.792 -2.556 1.00 0.00 O ATOM 1412 CB ALA A 92 5.495 0.917 -5.547 1.00 0.00 C ATOM 0 H ALA A 92 4.315 1.257 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 92 6.201 -0.709 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.363 0.903 -6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.691 0.333 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.162 1.945 -5.407 1.00 0.00 H new ATOM 1418 N ALA A 93 8.219 0.851 -4.064 1.00 0.00 N ATOM 1419 CA ALA A 93 9.407 1.496 -3.532 1.00 0.00 C ATOM 1420 C ALA A 93 9.924 2.519 -4.544 1.00 0.00 C ATOM 1421 O ALA A 93 10.059 2.213 -5.728 1.00 0.00 O ATOM 1422 CB ALA A 93 10.454 0.434 -3.189 1.00 0.00 C ATOM 0 H ALA A 93 8.387 0.243 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 93 9.173 2.032 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.346 0.918 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.048 -0.250 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.715 -0.123 -4.089 1.00 0.00 H new ATOM 1428 N MET A 94 10.199 3.714 -4.042 1.00 0.00 N ATOM 1429 CA MET A 94 10.699 4.785 -4.888 1.00 0.00 C ATOM 1430 C MET A 94 12.167 5.087 -4.581 1.00 0.00 C ATOM 1431 O MET A 94 12.563 5.139 -3.417 1.00 0.00 O ATOM 1432 CB MET A 94 9.860 6.045 -4.665 1.00 0.00 C ATOM 1433 CG MET A 94 8.372 5.756 -4.867 1.00 0.00 C ATOM 1434 SD MET A 94 7.391 6.988 -4.026 1.00 0.00 S ATOM 1435 CE MET A 94 8.377 8.441 -4.346 1.00 0.00 C ATOM 0 H MET A 94 10.085 3.964 -3.060 1.00 0.00 H new ATOM 0 HA MET A 94 10.624 4.467 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.027 6.423 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.179 6.826 -5.355 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.135 5.754 -5.931 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.131 4.764 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 94 7.774 9.334 -4.180 1.00 0.00 H new ATOM 0 HE2 MET A 94 9.236 8.453 -3.675 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.724 8.425 -5.379 1.00 0.00 H new ATOM 1445 N THR A 95 12.933 5.278 -5.644 1.00 0.00 N ATOM 1446 CA THR A 95 14.349 5.574 -5.503 1.00 0.00 C ATOM 1447 C THR A 95 14.674 6.935 -6.121 1.00 0.00 C ATOM 1448 O THR A 95 13.772 7.712 -6.428 1.00 0.00 O ATOM 1449 CB THR A 95 15.138 4.419 -6.125 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.345 4.019 -7.240 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.171 3.181 -5.227 1.00 0.00 C ATOM 0 H THR A 95 12.600 5.234 -6.607 1.00 0.00 H new ATOM 0 HA THR A 95 14.634 5.653 -4.454 1.00 0.00 H new ATOM 0 HB THR A 95 16.158 4.745 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.926 3.662 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.743 2.392 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.640 3.434 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.153 2.834 -5.048 1.00 0.00 H new ATOM 1459 N SER A 96 15.966 7.181 -6.285 1.00 0.00 N ATOM 1460 CA SER A 96 16.421 8.435 -6.862 1.00 0.00 C ATOM 1461 C SER A 96 16.227 8.414 -8.379 1.00 0.00 C ATOM 1462 O SER A 96 16.572 9.375 -9.066 1.00 0.00 O ATOM 1463 CB SER A 96 17.888 8.699 -6.517 1.00 0.00 C ATOM 1464 OG SER A 96 18.086 8.863 -5.116 1.00 0.00 O ATOM 0 H SER A 96 16.711 6.534 -6.029 1.00 0.00 H new ATOM 0 HA SER A 96 15.825 9.243 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.499 7.871 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.228 9.594 -7.038 1.00 0.00 H new ATOM 0 HG SER A 96 19.035 9.028 -4.937 1.00 0.00 H new ATOM 1470 N LYS A 97 15.677 7.308 -8.859 1.00 0.00 N ATOM 1471 CA LYS A 97 15.433 7.150 -10.282 1.00 0.00 C ATOM 1472 C LYS A 97 13.928 7.210 -10.548 1.00 0.00 C ATOM 1473 O LYS A 97 13.490 7.813 -11.526 1.00 0.00 O ATOM 1474 CB LYS A 97 16.099 5.873 -10.801 1.00 0.00 C ATOM 1475 CG LYS A 97 15.058 4.901 -11.361 1.00 0.00 C ATOM 1476 CD LYS A 97 14.561 5.361 -12.733 1.00 0.00 C ATOM 1477 CE LYS A 97 13.037 5.268 -12.824 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.638 4.237 -13.807 1.00 0.00 N ATOM 0 H LYS A 97 15.393 6.513 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 97 15.888 7.969 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.821 6.125 -11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.653 5.393 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.492 3.905 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.217 4.826 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.877 6.388 -12.913 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.013 4.747 -13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.623 5.025 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.625 6.234 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.609 4.091 -13.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.899 4.550 -14.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.125 3.344 -13.590 1.00 0.00 H new ATOM 1492 N GLY A 98 13.177 6.576 -9.659 1.00 0.00 N ATOM 1493 CA GLY A 98 11.730 6.550 -9.785 1.00 0.00 C ATOM 1494 C GLY A 98 11.122 5.462 -8.897 1.00 0.00 C ATOM 1495 O GLY A 98 11.668 5.137 -7.844 1.00 0.00 O ATOM 0 H GLY A 98 13.544 6.077 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.320 7.521 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.455 6.372 -10.825 1.00 0.00 H new ATOM 1499 N GLN A 99 9.998 4.929 -9.355 1.00 0.00 N ATOM 1500 CA GLN A 99 9.310 3.885 -8.615 1.00 0.00 C ATOM 1501 C GLN A 99 9.526 2.527 -9.288 1.00 0.00 C ATOM 1502 O GLN A 99 9.523 2.431 -10.514 1.00 0.00 O ATOM 1503 CB GLN A 99 7.819 4.199 -8.481 1.00 0.00 C ATOM 1504 CG GLN A 99 7.094 3.101 -7.701 1.00 0.00 C ATOM 1505 CD GLN A 99 5.636 2.981 -8.148 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.802 3.784 -7.495 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.291 2.209 -9.028 1.00 0.00 N flip ATOM 0 H GLN A 99 9.547 5.201 -10.229 1.00 0.00 H new ATOM 0 HA GLN A 99 9.730 3.842 -7.610 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.690 5.155 -7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.375 4.300 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.603 2.149 -7.849 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.134 3.321 -6.634 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.984 1.620 -9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.310 2.153 -9.302 1.00 0.00 H new ATOM 1516 N GLY A 100 9.707 1.512 -8.456 1.00 0.00 N ATOM 1517 CA GLY A 100 9.924 0.165 -8.955 1.00 0.00 C ATOM 1518 C GLY A 100 8.668 -0.691 -8.785 1.00 0.00 C ATOM 1519 O GLY A 100 7.554 -0.169 -8.764 1.00 0.00 O ATOM 0 H GLY A 100 9.708 1.596 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.202 0.204 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.757 -0.294 -8.422 1.00 0.00 H new ATOM 1523 N GLN A 101 8.889 -1.992 -8.669 1.00 0.00 N ATOM 1524 CA GLN A 101 7.788 -2.926 -8.501 1.00 0.00 C ATOM 1525 C GLN A 101 6.817 -2.416 -7.434 1.00 0.00 C ATOM 1526 O GLN A 101 7.082 -1.410 -6.779 1.00 0.00 O ATOM 1527 CB GLN A 101 8.303 -4.324 -8.150 1.00 0.00 C ATOM 1528 CG GLN A 101 7.588 -5.395 -8.976 1.00 0.00 C ATOM 1529 CD GLN A 101 8.588 -6.393 -9.563 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.555 -6.033 -10.214 1.00 0.00 O ATOM 1531 NE2 GLN A 101 8.301 -7.665 -9.298 1.00 0.00 N ATOM 0 H GLN A 101 9.814 -2.422 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 101 7.252 -2.999 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.377 -4.376 -8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.150 -4.516 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.868 -5.922 -8.350 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.025 -4.923 -9.781 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.475 -7.897 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.907 -8.408 -9.646 1.00 0.00 H new ATOM 1540 N VAL A 102 5.713 -3.134 -7.293 1.00 0.00 N ATOM 1541 CA VAL A 102 4.701 -2.767 -6.317 1.00 0.00 C ATOM 1542 C VAL A 102 4.107 -4.036 -5.703 1.00 0.00 C ATOM 1543 O VAL A 102 3.762 -4.975 -6.419 1.00 0.00 O ATOM 1544 CB VAL A 102 3.647 -1.869 -6.968 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.444 -2.688 -7.440 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.212 -0.754 -6.015 1.00 0.00 C ATOM 0 H VAL A 102 5.497 -3.968 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 102 5.145 -2.190 -5.506 1.00 0.00 H new ATOM 0 HB VAL A 102 4.099 -1.403 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.710 -2.025 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.772 -3.428 -8.170 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.992 -3.195 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.463 -0.130 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.788 -1.192 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.076 -0.144 -5.751 1.00 0.00 H new ATOM 1556 N SER A 103 4.006 -4.024 -4.381 1.00 0.00 N ATOM 1557 CA SER A 103 3.460 -5.163 -3.662 1.00 0.00 C ATOM 1558 C SER A 103 1.982 -4.923 -3.349 1.00 0.00 C ATOM 1559 O SER A 103 1.652 -4.187 -2.421 1.00 0.00 O ATOM 1560 CB SER A 103 4.241 -5.425 -2.373 1.00 0.00 C ATOM 1561 OG SER A 103 5.265 -6.399 -2.557 1.00 0.00 O ATOM 0 H SER A 103 4.293 -3.244 -3.790 1.00 0.00 H new ATOM 0 HA SER A 103 3.552 -6.045 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.686 -4.493 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.555 -5.763 -1.596 1.00 0.00 H new ATOM 0 HG SER A 103 5.741 -6.537 -1.712 1.00 0.00 H new ATOM 1567 N ALA A 104 1.131 -5.560 -4.141 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.304 -5.426 -3.959 1.00 0.00 C ATOM 1569 C ALA A 104 -0.843 -6.672 -3.254 1.00 0.00 C ATOM 1570 O ALA A 104 -0.773 -7.774 -3.794 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.970 -5.189 -5.316 1.00 0.00 C ATOM 0 H ALA A 104 1.408 -6.170 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.533 -4.567 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.047 -5.088 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.574 -4.277 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.765 -6.033 -5.974 1.00 0.00 H new ATOM 1577 N SER A 105 -1.370 -6.454 -2.058 1.00 0.00 N ATOM 1578 CA SER A 105 -1.921 -7.546 -1.273 1.00 0.00 C ATOM 1579 C SER A 105 -3.404 -7.293 -0.994 1.00 0.00 C ATOM 1580 O SER A 105 -3.785 -6.196 -0.587 1.00 0.00 O ATOM 1581 CB SER A 105 -1.156 -7.721 0.040 1.00 0.00 C ATOM 1582 OG SER A 105 -0.378 -8.914 0.049 1.00 0.00 O ATOM 0 H SER A 105 -1.427 -5.538 -1.614 1.00 0.00 H new ATOM 0 HA SER A 105 -1.818 -8.467 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.504 -6.862 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.861 -7.742 0.871 1.00 0.00 H new ATOM 0 HG SER A 105 0.097 -8.989 0.903 1.00 0.00 H new ATOM 1588 N THR A 106 -4.201 -8.326 -1.224 1.00 0.00 N ATOM 1589 CA THR A 106 -5.634 -8.230 -1.002 1.00 0.00 C ATOM 1590 C THR A 106 -5.949 -8.303 0.494 1.00 0.00 C ATOM 1591 O THR A 106 -5.362 -9.107 1.216 1.00 0.00 O ATOM 1592 CB THR A 106 -6.314 -9.329 -1.820 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.520 -9.426 -2.999 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.693 -8.909 -2.334 1.00 0.00 C ATOM 0 H THR A 106 -3.882 -9.234 -1.562 1.00 0.00 H new ATOM 0 HA THR A 106 -6.022 -7.268 -1.337 1.00 0.00 H new ATOM 0 HB THR A 106 -6.412 -10.227 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.516 -8.563 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.131 -9.725 -2.908 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.339 -8.671 -1.489 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.592 -8.031 -2.972 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.874 -7.452 0.914 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.273 -7.410 2.310 1.00 0.00 C ATOM 1604 C ILE A 107 -8.727 -6.946 2.406 1.00 0.00 C ATOM 1605 O ILE A 107 -9.106 -5.948 1.795 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.299 -6.553 3.120 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.778 -6.395 4.565 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.063 -5.202 2.443 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.619 -7.703 5.342 1.00 0.00 C ATOM 0 H ILE A 107 -7.358 -6.786 0.312 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.226 -8.406 2.750 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.339 -7.068 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.210 -5.605 5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.824 -6.088 4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.367 -4.613 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.645 -5.361 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.009 -4.668 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.967 -7.563 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.208 -8.485 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.569 -7.995 5.352 1.00 0.00 H new ATOM 1621 N SER A 108 -9.504 -7.692 3.178 1.00 0.00 N ATOM 1622 CA SER A 108 -10.908 -7.369 3.363 1.00 0.00 C ATOM 1623 C SER A 108 -11.103 -6.611 4.677 1.00 0.00 C ATOM 1624 O SER A 108 -10.803 -7.133 5.750 1.00 0.00 O ATOM 1625 CB SER A 108 -11.771 -8.632 3.346 1.00 0.00 C ATOM 1626 OG SER A 108 -13.007 -8.444 4.030 1.00 0.00 O ATOM 0 H SER A 108 -9.187 -8.520 3.683 1.00 0.00 H new ATOM 0 HA SER A 108 -11.224 -6.734 2.535 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.968 -8.922 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.222 -9.452 3.808 1.00 0.00 H new ATOM 0 HG SER A 108 -13.529 -9.272 3.995 1.00 0.00 H new ATOM 1632 N SER A 109 -11.604 -5.390 4.551 1.00 0.00 N ATOM 1633 CA SER A 109 -11.842 -4.555 5.716 1.00 0.00 C ATOM 1634 C SER A 109 -12.334 -5.413 6.883 1.00 0.00 C ATOM 1635 O SER A 109 -12.973 -6.443 6.675 1.00 0.00 O ATOM 1636 CB SER A 109 -12.855 -3.452 5.405 1.00 0.00 C ATOM 1637 OG SER A 109 -14.069 -3.976 4.872 1.00 0.00 O ATOM 0 H SER A 109 -11.851 -4.960 3.660 1.00 0.00 H new ATOM 0 HA SER A 109 -10.901 -4.080 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.071 -2.891 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.420 -2.750 4.693 1.00 0.00 H new ATOM 0 HG SER A 109 -14.505 -3.294 4.319 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.017 -4.957 8.086 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.418 -5.670 9.287 1.00 0.00 C ATOM 1645 C GLY A 110 -13.943 -5.718 9.412 1.00 0.00 C ATOM 1646 O GLY A 110 -14.581 -6.644 8.913 1.00 0.00 O ATOM 0 H GLY A 110 -11.487 -4.102 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.019 -6.684 9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.993 -5.181 10.164 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.482 -4.710 10.080 1.00 0.00 N ATOM 1651 CA VAL A 111 -15.919 -4.626 10.277 1.00 0.00 C ATOM 1652 C VAL A 111 -16.254 -3.325 11.011 1.00 0.00 C ATOM 1653 O VAL A 111 -15.517 -2.903 11.900 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.421 -5.872 11.009 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.698 -6.050 12.346 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -17.937 -5.817 11.209 1.00 0.00 C ATOM 0 H VAL A 111 -13.950 -3.944 10.492 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.435 -4.600 9.317 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.196 -6.739 10.388 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.073 -6.943 12.846 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.628 -6.156 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.878 -5.179 12.976 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.268 -6.715 11.732 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.194 -4.938 11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.430 -5.760 10.239 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.396 -2.711 10.600 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.837 -1.468 11.209 1.00 0.00 C ATOM 1668 C PRO A 112 -18.429 -1.717 12.597 1.00 0.00 C ATOM 1669 O PRO A 112 -19.331 -2.539 12.753 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.844 -0.886 10.229 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.275 -2.041 9.340 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.294 -3.183 9.550 1.00 0.00 C ATOM 0 HA PRO A 112 -17.018 -0.770 11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.698 -0.458 10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.398 -0.085 9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.288 -2.357 9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.285 -1.734 8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.808 -4.097 9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.748 -3.410 8.634 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.884 -0.973 13.596 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.348 -1.104 14.967 1.00 0.00 C ATOM 1682 C PRO A 113 -19.706 -0.423 15.154 1.00 0.00 C ATOM 1683 O PRO A 113 -20.392 -0.662 16.146 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.251 -0.484 15.816 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.435 0.385 14.872 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.815 0.011 13.448 1.00 0.00 C ATOM 0 HA PRO A 113 -18.517 -2.141 15.256 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.673 0.110 16.627 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.630 -1.253 16.274 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.635 1.441 15.056 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.369 0.230 15.036 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.153 0.882 12.887 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -15.965 -0.406 12.908 1.00 0.00 H new