USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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 66 SER OG : rot 180:sc= 0.109 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0.0437 USER MOD Set 2.1: A 27 THR OG1 : rot -124:sc= 1.15 USER MOD Set 2.2: A 31 THR OG1 : rot -146:sc= 2.06 USER MOD Set 3.1: A 17 LYS NZ :NH3+ -175:sc= 2.35 (180deg=2.28) USER MOD Set 3.2: A 19 SER OG : rot 140:sc= 0.954 USER MOD Single : A 13 MET CE :methyl -172:sc= 0 (180deg=-0.0477) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= 2.28 (180deg=0.305) USER MOD Single : A 24 MET CE :methyl -160:sc= -0.236 (180deg=-0.544) USER MOD Single : A 28 GLN : amide:sc= 0.0753 K(o=0.075,f=-3.9!) USER MOD Single : A 29 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.4!) USER MOD Single : A 32 THR OG1 : rot 135:sc= 0.59 USER MOD Single : A 35 LYS NZ :NH3+ -132:sc= 2.16 (180deg=0.758) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 2.47 (180deg=2.43) USER MOD Single : A 38 TYR OH : rot 130:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 1.16 K(o=1.2,f=-1.2) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 3.24 (180deg=3.13) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 2.25 (180deg=0.7) USER MOD Single : A 65 SER OG : rot -48:sc= 1.17 USER MOD Single : A 72 ASN : amide:sc= 1.17 K(o=1.2,f=-0.014) USER MOD Single : A 73 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 75 SER OG : rot -90:sc=-0.00558 USER MOD Single : A 77 THR OG1 : rot 159:sc= 1.21 USER MOD Single : A 78 ASN : amide:sc= 0.889 K(o=0.89,f=-0.36) USER MOD Single : A 88 SER OG : rot -55:sc= 1.26 USER MOD Single : A 89 TYR OH : rot -0:sc= 0.998 USER MOD Single : A 96 ASN : amide:sc= 0.322 K(o=0.32,f=-0.43) USER MOD Single : A 97 SER OG : rot 166:sc= 1.65 USER MOD Single : A 100 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 102 HIS : no HE2:sc= -0.273 K(o=-0.27,f=-1.7) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.742) USER MOD ----------------------------------------------------------------- ATOM 211 N MET A 13 -67.991 36.337 95.277 1.00 0.00 N ATOM 212 CA MET A 13 -67.014 37.031 96.131 1.00 0.00 C ATOM 213 C MET A 13 -65.619 36.389 96.192 1.00 0.00 C ATOM 214 O MET A 13 -64.734 36.785 95.438 1.00 0.00 O ATOM 215 CB MET A 13 -67.631 37.249 97.531 1.00 0.00 C ATOM 216 CG MET A 13 -68.477 38.521 97.611 1.00 0.00 C ATOM 217 SD MET A 13 -67.541 40.071 97.641 1.00 0.00 S ATOM 218 CE MET A 13 -66.895 40.033 99.337 1.00 0.00 C ATOM 0 HA MET A 13 -66.814 37.994 95.661 1.00 0.00 H new ATOM 0 HB2 MET A 13 -68.249 36.389 97.789 1.00 0.00 H new ATOM 0 HB3 MET A 13 -66.833 37.301 98.271 1.00 0.00 H new ATOM 0 HG2 MET A 13 -69.155 38.541 96.758 1.00 0.00 H new ATOM 0 HG3 MET A 13 -69.095 38.471 98.508 1.00 0.00 H new ATOM 0 HE1 MET A 13 -66.414 40.984 99.565 1.00 0.00 H new ATOM 0 HE2 MET A 13 -67.715 39.865 100.035 1.00 0.00 H new ATOM 0 HE3 MET A 13 -66.167 39.227 99.431 1.00 0.00 H new ATOM 228 N CYS A 14 -65.362 35.516 97.171 1.00 0.00 N ATOM 229 CA CYS A 14 -64.050 35.532 97.819 1.00 0.00 C ATOM 230 C CYS A 14 -62.962 34.718 97.105 1.00 0.00 C ATOM 231 O CYS A 14 -62.770 33.531 97.365 1.00 0.00 O ATOM 232 CB CYS A 14 -64.201 35.188 99.301 1.00 0.00 C ATOM 233 SG CYS A 14 -64.756 36.623 100.262 1.00 0.00 S ATOM 0 H CYS A 14 -66.016 34.816 97.521 1.00 0.00 H new ATOM 0 HA CYS A 14 -63.669 36.550 97.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -64.916 34.373 99.416 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -63.248 34.833 99.692 1.00 0.00 H new ATOM 238 N SER A 15 -62.174 35.427 96.289 1.00 0.00 N ATOM 239 CA SER A 15 -60.860 35.030 95.770 1.00 0.00 C ATOM 240 C SER A 15 -59.755 34.899 96.836 1.00 0.00 C ATOM 241 O SER A 15 -58.629 34.520 96.510 1.00 0.00 O ATOM 242 CB SER A 15 -60.423 36.044 94.704 1.00 0.00 C ATOM 243 OG SER A 15 -60.398 37.344 95.262 1.00 0.00 O ATOM 0 H SER A 15 -62.453 36.349 95.953 1.00 0.00 H new ATOM 0 HA SER A 15 -60.986 34.030 95.355 1.00 0.00 H new ATOM 0 HB2 SER A 15 -59.436 35.783 94.323 1.00 0.00 H new ATOM 0 HB3 SER A 15 -61.109 36.015 93.858 1.00 0.00 H new ATOM 0 HG SER A 15 -60.117 37.988 94.579 1.00 0.00 H new ATOM 249 N GLY A 16 -60.062 35.200 98.103 1.00 0.00 N ATOM 250 CA GLY A 16 -59.163 35.057 99.245 1.00 0.00 C ATOM 251 C GLY A 16 -59.016 33.612 99.745 1.00 0.00 C ATOM 252 O GLY A 16 -59.642 32.680 99.232 1.00 0.00 O ATOM 0 H GLY A 16 -60.978 35.563 98.367 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -58.179 35.438 98.970 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -59.528 35.678 100.063 1.00 0.00 H new ATOM 256 N LYS A 17 -58.142 33.444 100.745 1.00 0.00 N ATOM 257 CA LYS A 17 -57.744 32.182 101.390 1.00 0.00 C ATOM 258 C LYS A 17 -58.757 31.744 102.462 1.00 0.00 C ATOM 259 O LYS A 17 -59.426 32.572 103.075 1.00 0.00 O ATOM 260 CB LYS A 17 -56.326 32.399 101.976 1.00 0.00 C ATOM 261 CG LYS A 17 -55.307 31.266 101.735 1.00 0.00 C ATOM 262 CD LYS A 17 -55.386 30.048 102.667 1.00 0.00 C ATOM 263 CE LYS A 17 -55.209 30.443 104.141 1.00 0.00 C ATOM 264 NZ LYS A 17 -55.364 29.292 105.058 1.00 0.00 N ATOM 0 H LYS A 17 -57.658 34.243 101.156 1.00 0.00 H new ATOM 0 HA LYS A 17 -57.728 31.369 100.664 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -55.920 33.320 101.557 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -56.420 32.552 103.051 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -55.426 30.916 100.709 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -54.305 31.689 101.814 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -56.348 29.553 102.537 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -54.617 29.328 102.389 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -54.222 30.884 104.280 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -55.940 31.210 104.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -55.320 29.624 106.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -56.282 28.834 104.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -54.599 28.608 104.889 1.00 0.00 H new ATOM 278 N PHE A 18 -58.828 30.440 102.730 1.00 0.00 N ATOM 279 CA PHE A 18 -59.713 29.803 103.717 1.00 0.00 C ATOM 280 C PHE A 18 -58.943 28.760 104.548 1.00 0.00 C ATOM 281 O PHE A 18 -57.802 28.434 104.221 1.00 0.00 O ATOM 282 CB PHE A 18 -60.895 29.156 102.966 1.00 0.00 C ATOM 283 CG PHE A 18 -61.867 30.143 102.347 1.00 0.00 C ATOM 284 CD1 PHE A 18 -61.636 30.660 101.057 1.00 0.00 C ATOM 285 CD2 PHE A 18 -63.000 30.557 103.073 1.00 0.00 C ATOM 286 CE1 PHE A 18 -62.508 31.622 100.515 1.00 0.00 C ATOM 287 CE2 PHE A 18 -63.870 31.519 102.534 1.00 0.00 C ATOM 288 CZ PHE A 18 -63.616 32.059 101.260 1.00 0.00 C ATOM 0 H PHE A 18 -58.242 29.762 102.243 1.00 0.00 H new ATOM 0 HA PHE A 18 -60.091 30.551 104.414 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -60.500 28.513 102.179 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -61.441 28.514 103.658 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -60.788 30.317 100.483 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -63.201 30.134 104.046 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -62.326 32.023 99.529 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -64.733 31.844 103.097 1.00 0.00 H new ATOM 0 HZ PHE A 18 -64.275 32.812 100.853 1.00 0.00 H new ATOM 298 N SER A 19 -59.574 28.175 105.573 1.00 0.00 N ATOM 299 CA SER A 19 -59.127 26.919 106.194 1.00 0.00 C ATOM 300 C SER A 19 -60.214 25.850 106.177 1.00 0.00 C ATOM 301 O SER A 19 -61.396 26.142 106.376 1.00 0.00 O ATOM 302 CB SER A 19 -58.673 27.119 107.639 1.00 0.00 C ATOM 303 OG SER A 19 -57.373 27.658 107.646 1.00 0.00 O ATOM 0 H SER A 19 -60.416 28.562 105.999 1.00 0.00 H new ATOM 0 HA SER A 19 -58.282 26.586 105.592 1.00 0.00 H new ATOM 0 HB2 SER A 19 -59.359 27.787 108.159 1.00 0.00 H new ATOM 0 HB3 SER A 19 -58.688 26.168 108.172 1.00 0.00 H new ATOM 0 HG SER A 19 -57.302 28.332 108.354 1.00 0.00 H new ATOM 309 N ILE A 20 -59.764 24.602 105.993 1.00 0.00 N ATOM 310 CA ILE A 20 -60.482 23.383 106.353 1.00 0.00 C ATOM 311 C ILE A 20 -60.453 23.273 107.882 1.00 0.00 C ATOM 312 O ILE A 20 -59.497 22.799 108.489 1.00 0.00 O ATOM 313 CB ILE A 20 -59.922 22.150 105.599 1.00 0.00 C ATOM 314 CG1 ILE A 20 -60.607 20.838 106.041 1.00 0.00 C ATOM 315 CG2 ILE A 20 -58.392 21.976 105.672 1.00 0.00 C ATOM 316 CD1 ILE A 20 -62.116 20.851 105.776 1.00 0.00 C ATOM 0 H ILE A 20 -58.854 24.412 105.573 1.00 0.00 H new ATOM 0 HA ILE A 20 -61.525 23.422 106.037 1.00 0.00 H new ATOM 0 HB ILE A 20 -60.161 22.362 104.557 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -60.155 19.999 105.512 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -60.429 20.678 107.104 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -58.100 21.086 105.114 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -57.905 22.851 105.241 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -58.087 21.868 106.713 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -62.551 19.907 106.104 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -62.575 21.673 106.326 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -62.297 20.983 104.709 1.00 0.00 H new ATOM 328 N ASP A 21 -61.484 23.829 108.510 1.00 0.00 N ATOM 329 CA ASP A 21 -61.522 24.147 109.934 1.00 0.00 C ATOM 330 C ASP A 21 -62.169 23.012 110.760 1.00 0.00 C ATOM 331 O ASP A 21 -62.022 22.957 111.983 1.00 0.00 O ATOM 332 CB ASP A 21 -62.237 25.501 110.042 1.00 0.00 C ATOM 333 CG ASP A 21 -61.827 26.306 111.272 1.00 0.00 C ATOM 334 OD1 ASP A 21 -60.808 27.030 111.165 1.00 0.00 O ATOM 335 OD2 ASP A 21 -62.570 26.228 112.276 1.00 0.00 O ATOM 0 H ASP A 21 -62.346 24.079 108.025 1.00 0.00 H new ATOM 0 HA ASP A 21 -60.524 24.228 110.365 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -62.027 26.087 109.147 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -63.314 25.334 110.069 1.00 0.00 H new ATOM 340 N LYS A 22 -62.836 22.066 110.079 1.00 0.00 N ATOM 341 CA LYS A 22 -62.962 20.648 110.450 1.00 0.00 C ATOM 342 C LYS A 22 -63.107 19.799 109.180 1.00 0.00 C ATOM 343 O LYS A 22 -63.895 20.147 108.299 1.00 0.00 O ATOM 344 CB LYS A 22 -64.155 20.388 111.391 1.00 0.00 C ATOM 345 CG LYS A 22 -64.062 18.992 112.030 1.00 0.00 C ATOM 346 CD LYS A 22 -65.359 18.514 112.700 1.00 0.00 C ATOM 347 CE LYS A 22 -66.481 18.120 111.724 1.00 0.00 C ATOM 348 NZ LYS A 22 -66.086 17.014 110.819 1.00 0.00 N ATOM 0 H LYS A 22 -63.327 22.281 109.211 1.00 0.00 H new ATOM 0 HA LYS A 22 -62.058 20.369 110.992 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -64.179 21.148 112.172 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -65.088 20.475 110.834 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -63.777 18.272 111.262 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -63.264 18.998 112.773 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -65.130 17.657 113.333 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -65.726 19.305 113.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -67.363 17.823 112.291 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -66.762 18.989 111.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -66.914 16.417 110.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -65.719 17.408 109.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -65.347 16.440 111.274 1.00 0.00 H new ATOM 362 N GLU A 23 -62.373 18.682 109.155 1.00 0.00 N ATOM 363 CA GLU A 23 -62.387 17.591 108.171 1.00 0.00 C ATOM 364 C GLU A 23 -63.784 17.062 107.800 1.00 0.00 C ATOM 365 O GLU A 23 -64.766 17.280 108.511 1.00 0.00 O ATOM 366 CB GLU A 23 -61.475 16.452 108.683 1.00 0.00 C ATOM 367 CG GLU A 23 -61.637 16.008 110.157 1.00 0.00 C ATOM 368 CD GLU A 23 -62.917 15.213 110.450 1.00 0.00 C ATOM 369 OE1 GLU A 23 -62.991 14.052 109.991 1.00 0.00 O ATOM 370 OE2 GLU A 23 -63.812 15.749 111.147 1.00 0.00 O ATOM 0 H GLU A 23 -61.690 18.500 109.891 1.00 0.00 H new ATOM 0 HA GLU A 23 -62.008 18.006 107.237 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -61.640 15.580 108.050 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -60.440 16.760 108.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -60.776 15.400 110.436 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -61.622 16.893 110.793 1.00 0.00 H new ATOM 377 N MET A 24 -63.870 16.341 106.679 1.00 0.00 N ATOM 378 CA MET A 24 -65.118 15.770 106.166 1.00 0.00 C ATOM 379 C MET A 24 -65.673 14.605 106.997 1.00 0.00 C ATOM 380 O MET A 24 -65.030 13.562 107.139 1.00 0.00 O ATOM 381 CB MET A 24 -64.909 15.327 104.718 1.00 0.00 C ATOM 382 CG MET A 24 -65.216 16.502 103.804 1.00 0.00 C ATOM 383 SD MET A 24 -64.835 16.250 102.066 1.00 0.00 S ATOM 384 CE MET A 24 -63.029 16.361 102.135 1.00 0.00 C ATOM 0 H MET A 24 -63.061 16.134 106.093 1.00 0.00 H new ATOM 0 HA MET A 24 -65.868 16.558 106.233 1.00 0.00 H new ATOM 0 HB2 MET A 24 -63.883 14.990 104.570 1.00 0.00 H new ATOM 0 HB3 MET A 24 -65.559 14.484 104.482 1.00 0.00 H new ATOM 0 HG2 MET A 24 -66.275 16.743 103.895 1.00 0.00 H new ATOM 0 HG3 MET A 24 -64.660 17.370 104.158 1.00 0.00 H new ATOM 0 HE1 MET A 24 -62.640 16.583 101.141 1.00 0.00 H new ATOM 0 HE2 MET A 24 -62.739 17.155 102.824 1.00 0.00 H new ATOM 0 HE3 MET A 24 -62.619 15.412 102.482 1.00 0.00 H new ATOM 394 N ALA A 25 -66.913 14.755 107.475 1.00 0.00 N ATOM 395 CA ALA A 25 -67.679 13.702 108.144 1.00 0.00 C ATOM 396 C ALA A 25 -68.937 13.338 107.336 1.00 0.00 C ATOM 397 O ALA A 25 -69.783 14.197 107.089 1.00 0.00 O ATOM 398 CB ALA A 25 -68.011 14.154 109.569 1.00 0.00 C ATOM 0 H ALA A 25 -67.423 15.635 107.405 1.00 0.00 H new ATOM 0 HA ALA A 25 -67.081 12.792 108.204 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -68.582 13.375 110.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -67.087 14.340 110.116 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -68.601 15.070 109.532 1.00 0.00 H new ATOM 404 N GLU A 26 -69.043 12.072 106.906 1.00 0.00 N ATOM 405 CA GLU A 26 -70.193 11.561 106.150 1.00 0.00 C ATOM 406 C GLU A 26 -71.430 11.338 107.043 1.00 0.00 C ATOM 407 O GLU A 26 -71.310 11.157 108.255 1.00 0.00 O ATOM 408 CB GLU A 26 -69.796 10.272 105.403 1.00 0.00 C ATOM 409 CG GLU A 26 -70.491 10.155 104.034 1.00 0.00 C ATOM 410 CD GLU A 26 -70.014 8.933 103.249 1.00 0.00 C ATOM 411 OE1 GLU A 26 -68.782 8.757 103.078 1.00 0.00 O ATOM 412 OE2 GLU A 26 -70.851 8.085 102.875 1.00 0.00 O ATOM 0 H GLU A 26 -68.325 11.368 107.076 1.00 0.00 H new ATOM 0 HA GLU A 26 -70.479 12.318 105.420 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -68.715 10.254 105.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -70.053 9.407 106.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -71.569 10.093 104.180 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -70.299 11.057 103.452 1.00 0.00 H new ATOM 419 N THR A 27 -72.625 11.325 106.441 1.00 0.00 N ATOM 420 CA THR A 27 -73.919 11.319 107.143 1.00 0.00 C ATOM 421 C THR A 27 -74.743 10.053 106.862 1.00 0.00 C ATOM 422 O THR A 27 -74.475 9.305 105.920 1.00 0.00 O ATOM 423 CB THR A 27 -74.743 12.552 106.731 1.00 0.00 C ATOM 424 OG1 THR A 27 -75.137 12.390 105.392 1.00 0.00 O ATOM 425 CG2 THR A 27 -74.004 13.883 106.879 1.00 0.00 C ATOM 0 H THR A 27 -72.724 11.318 105.426 1.00 0.00 H new ATOM 0 HA THR A 27 -73.697 11.341 108.210 1.00 0.00 H new ATOM 0 HB THR A 27 -75.594 12.605 107.410 1.00 0.00 H new ATOM 0 HG1 THR A 27 -74.827 13.156 104.865 1.00 0.00 H new ATOM 0 HG21 THR A 27 -74.657 14.698 106.567 1.00 0.00 H new ATOM 0 HG22 THR A 27 -73.717 14.026 107.921 1.00 0.00 H new ATOM 0 HG23 THR A 27 -73.111 13.875 106.255 1.00 0.00 H new ATOM 433 N GLN A 28 -75.820 9.846 107.635 1.00 0.00 N ATOM 434 CA GLN A 28 -76.863 8.853 107.329 1.00 0.00 C ATOM 435 C GLN A 28 -77.652 9.189 106.045 1.00 0.00 C ATOM 436 O GLN A 28 -78.152 8.287 105.380 1.00 0.00 O ATOM 437 CB GLN A 28 -77.804 8.634 108.537 1.00 0.00 C ATOM 438 CG GLN A 28 -78.186 9.864 109.385 1.00 0.00 C ATOM 439 CD GLN A 28 -78.697 11.043 108.567 1.00 0.00 C ATOM 440 OE1 GLN A 28 -77.926 11.890 108.142 1.00 0.00 O ATOM 441 NE2 GLN A 28 -79.983 11.124 108.285 1.00 0.00 N ATOM 0 H GLN A 28 -75.993 10.366 108.495 1.00 0.00 H new ATOM 0 HA GLN A 28 -76.348 7.913 107.132 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -78.725 8.184 108.166 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -77.336 7.904 109.198 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -78.952 9.574 110.104 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -77.315 10.182 109.958 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -80.628 10.418 108.639 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -80.332 11.893 107.713 1.00 0.00 H new ATOM 450 N HIS A 29 -77.707 10.470 105.663 1.00 0.00 N ATOM 451 CA HIS A 29 -78.195 10.975 104.379 1.00 0.00 C ATOM 452 C HIS A 29 -77.222 10.661 103.217 1.00 0.00 C ATOM 453 O HIS A 29 -77.557 10.877 102.055 1.00 0.00 O ATOM 454 CB HIS A 29 -78.451 12.485 104.575 1.00 0.00 C ATOM 455 CG HIS A 29 -79.046 13.264 103.426 1.00 0.00 C ATOM 456 ND1 HIS A 29 -78.849 14.610 103.208 1.00 0.00 N ATOM 457 CD2 HIS A 29 -79.928 12.817 102.478 1.00 0.00 C ATOM 458 CE1 HIS A 29 -79.592 14.963 102.147 1.00 0.00 C ATOM 459 NE2 HIS A 29 -80.266 13.905 101.668 1.00 0.00 N ATOM 0 H HIS A 29 -77.394 11.222 106.277 1.00 0.00 H new ATOM 0 HA HIS A 29 -79.119 10.476 104.085 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -79.112 12.602 105.434 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -77.502 12.952 104.838 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -78.247 15.227 103.754 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -80.296 11.807 102.375 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -79.641 15.960 101.735 1.00 0.00 H new ATOM 467 N GLY A 30 -76.020 10.133 103.503 1.00 0.00 N ATOM 468 CA GLY A 30 -74.996 9.786 102.514 1.00 0.00 C ATOM 469 C GLY A 30 -74.245 10.995 101.945 1.00 0.00 C ATOM 470 O GLY A 30 -73.429 10.830 101.040 1.00 0.00 O ATOM 0 H GLY A 30 -75.729 9.931 104.460 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -74.277 9.108 102.973 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -75.466 9.244 101.694 1.00 0.00 H new ATOM 474 N THR A 31 -74.544 12.201 102.430 1.00 0.00 N ATOM 475 CA THR A 31 -73.804 13.452 102.223 1.00 0.00 C ATOM 476 C THR A 31 -72.544 13.485 103.093 1.00 0.00 C ATOM 477 O THR A 31 -72.343 12.613 103.937 1.00 0.00 O ATOM 478 CB THR A 31 -74.705 14.645 102.593 1.00 0.00 C ATOM 479 OG1 THR A 31 -75.255 14.466 103.886 1.00 0.00 O ATOM 480 CG2 THR A 31 -75.843 14.793 101.588 1.00 0.00 C ATOM 0 H THR A 31 -75.365 12.342 103.018 1.00 0.00 H new ATOM 0 HA THR A 31 -73.510 13.514 101.175 1.00 0.00 H new ATOM 0 HB THR A 31 -74.090 15.545 102.578 1.00 0.00 H new ATOM 0 HG1 THR A 31 -76.154 14.856 103.916 1.00 0.00 H new ATOM 0 HG21 THR A 31 -76.467 15.641 101.868 1.00 0.00 H new ATOM 0 HG22 THR A 31 -75.430 14.959 100.593 1.00 0.00 H new ATOM 0 HG23 THR A 31 -76.446 13.885 101.584 1.00 0.00 H new ATOM 488 N THR A 32 -71.703 14.510 102.934 1.00 0.00 N ATOM 489 CA THR A 32 -70.604 14.815 103.855 1.00 0.00 C ATOM 490 C THR A 32 -70.675 16.266 104.328 1.00 0.00 C ATOM 491 O THR A 32 -71.250 17.122 103.651 1.00 0.00 O ATOM 492 CB THR A 32 -69.250 14.427 103.235 1.00 0.00 C ATOM 493 OG1 THR A 32 -68.264 14.357 104.237 1.00 0.00 O ATOM 494 CG2 THR A 32 -68.750 15.381 102.149 1.00 0.00 C ATOM 0 H THR A 32 -71.767 15.161 102.151 1.00 0.00 H new ATOM 0 HA THR A 32 -70.708 14.206 104.753 1.00 0.00 H new ATOM 0 HB THR A 32 -69.423 13.461 102.761 1.00 0.00 H new ATOM 0 HG1 THR A 32 -67.727 13.547 104.111 1.00 0.00 H new ATOM 0 HG21 THR A 32 -67.791 15.029 101.770 1.00 0.00 H new ATOM 0 HG22 THR A 32 -69.472 15.415 101.334 1.00 0.00 H new ATOM 0 HG23 THR A 32 -68.630 16.380 102.569 1.00 0.00 H new ATOM 502 N VAL A 33 -70.115 16.534 105.510 1.00 0.00 N ATOM 503 CA VAL A 33 -70.184 17.828 106.196 1.00 0.00 C ATOM 504 C VAL A 33 -68.774 18.370 106.410 1.00 0.00 C ATOM 505 O VAL A 33 -67.928 17.692 106.999 1.00 0.00 O ATOM 506 CB VAL A 33 -70.964 17.733 107.524 1.00 0.00 C ATOM 507 CG1 VAL A 33 -71.134 19.124 108.155 1.00 0.00 C ATOM 508 CG2 VAL A 33 -72.365 17.139 107.317 1.00 0.00 C ATOM 0 H VAL A 33 -69.585 15.836 106.032 1.00 0.00 H new ATOM 0 HA VAL A 33 -70.735 18.525 105.565 1.00 0.00 H new ATOM 0 HB VAL A 33 -70.384 17.083 108.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -71.687 19.034 109.090 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -70.153 19.556 108.353 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -71.683 19.770 107.470 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -72.884 17.088 108.274 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -72.930 17.770 106.631 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -72.277 16.137 106.898 1.00 0.00 H new ATOM 518 N VAL A 34 -68.541 19.599 105.928 1.00 0.00 N ATOM 519 CA VAL A 34 -67.236 20.279 105.898 1.00 0.00 C ATOM 520 C VAL A 34 -67.336 21.609 106.649 1.00 0.00 C ATOM 521 O VAL A 34 -68.225 22.397 106.332 1.00 0.00 O ATOM 522 CB VAL A 34 -66.778 20.557 104.442 1.00 0.00 C ATOM 523 CG1 VAL A 34 -65.248 20.609 104.400 1.00 0.00 C ATOM 524 CG2 VAL A 34 -67.283 19.542 103.406 1.00 0.00 C ATOM 0 H VAL A 34 -69.287 20.171 105.532 1.00 0.00 H new ATOM 0 HA VAL A 34 -66.504 19.626 106.374 1.00 0.00 H new ATOM 0 HB VAL A 34 -67.222 21.512 104.162 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -64.918 20.804 103.379 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -64.893 21.405 105.054 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -64.842 19.655 104.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -66.914 19.816 102.418 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -66.921 18.547 103.665 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -68.373 19.541 103.399 1.00 0.00 H new ATOM 534 N LYS A 35 -66.456 21.891 107.624 1.00 0.00 N ATOM 535 CA LYS A 35 -66.465 23.182 108.342 1.00 0.00 C ATOM 536 C LYS A 35 -65.377 24.099 107.786 1.00 0.00 C ATOM 537 O LYS A 35 -64.194 23.778 107.894 1.00 0.00 O ATOM 538 CB LYS A 35 -66.339 22.969 109.859 1.00 0.00 C ATOM 539 CG LYS A 35 -66.842 24.154 110.719 1.00 0.00 C ATOM 540 CD LYS A 35 -65.838 24.750 111.728 1.00 0.00 C ATOM 541 CE LYS A 35 -65.095 23.705 112.566 1.00 0.00 C ATOM 542 NZ LYS A 35 -63.993 24.291 113.363 1.00 0.00 N ATOM 0 H LYS A 35 -65.730 21.246 107.935 1.00 0.00 H new ATOM 0 HA LYS A 35 -67.423 23.675 108.178 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -66.897 22.074 110.135 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -65.293 22.780 110.101 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -67.163 24.950 110.047 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -67.724 23.826 111.269 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -65.108 25.350 111.185 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -66.371 25.425 112.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -65.801 23.213 113.236 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -64.692 22.936 111.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -63.133 23.720 113.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -63.812 25.264 113.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -64.259 24.302 114.368 1.00 0.00 H new ATOM 556 N VAL A 36 -65.774 25.222 107.180 1.00 0.00 N ATOM 557 CA VAL A 36 -64.842 26.221 106.628 1.00 0.00 C ATOM 558 C VAL A 36 -64.640 27.398 107.587 1.00 0.00 C ATOM 559 O VAL A 36 -65.510 27.678 108.415 1.00 0.00 O ATOM 560 CB VAL A 36 -65.290 26.734 105.240 1.00 0.00 C ATOM 561 CG1 VAL A 36 -65.575 25.567 104.290 1.00 0.00 C ATOM 562 CG2 VAL A 36 -66.522 27.647 105.270 1.00 0.00 C ATOM 0 H VAL A 36 -66.756 25.469 107.056 1.00 0.00 H new ATOM 0 HA VAL A 36 -63.887 25.711 106.504 1.00 0.00 H new ATOM 0 HB VAL A 36 -64.451 27.332 104.884 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -65.888 25.955 103.321 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -64.672 24.969 104.167 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -66.368 24.945 104.705 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -66.767 27.961 104.255 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -67.366 27.105 105.696 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -66.309 28.525 105.880 1.00 0.00 H new ATOM 572 N LYS A 37 -63.527 28.121 107.407 1.00 0.00 N ATOM 573 CA LYS A 37 -63.199 29.411 108.037 1.00 0.00 C ATOM 574 C LYS A 37 -62.482 30.308 107.017 1.00 0.00 C ATOM 575 O LYS A 37 -61.771 29.775 106.165 1.00 0.00 O ATOM 576 CB LYS A 37 -62.322 29.115 109.267 1.00 0.00 C ATOM 577 CG LYS A 37 -62.140 30.306 110.222 1.00 0.00 C ATOM 578 CD LYS A 37 -60.751 30.961 110.161 1.00 0.00 C ATOM 579 CE LYS A 37 -59.756 30.383 111.177 1.00 0.00 C ATOM 580 NZ LYS A 37 -59.170 29.096 110.748 1.00 0.00 N ATOM 0 H LYS A 37 -62.786 27.804 106.781 1.00 0.00 H new ATOM 0 HA LYS A 37 -64.094 29.944 108.359 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -62.763 28.286 109.821 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -61.340 28.785 108.927 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -62.894 31.059 109.992 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -62.326 29.970 111.242 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -60.345 30.839 109.157 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -60.855 32.032 110.335 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -58.955 31.103 111.342 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -60.261 30.245 112.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -58.533 28.740 111.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -59.930 28.406 110.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -58.633 29.235 109.868 1.00 0.00 H new ATOM 594 N TYR A 38 -62.647 31.637 107.073 1.00 0.00 N ATOM 595 CA TYR A 38 -62.070 32.559 106.076 1.00 0.00 C ATOM 596 C TYR A 38 -60.795 33.246 106.579 1.00 0.00 C ATOM 597 O TYR A 38 -60.738 33.711 107.711 1.00 0.00 O ATOM 598 CB TYR A 38 -63.115 33.602 105.644 1.00 0.00 C ATOM 599 CG TYR A 38 -62.612 34.600 104.610 1.00 0.00 C ATOM 600 CD1 TYR A 38 -62.031 34.134 103.415 1.00 0.00 C ATOM 601 CD2 TYR A 38 -62.731 35.989 104.822 1.00 0.00 C ATOM 602 CE1 TYR A 38 -61.599 35.031 102.427 1.00 0.00 C ATOM 603 CE2 TYR A 38 -62.304 36.898 103.832 1.00 0.00 C ATOM 604 CZ TYR A 38 -61.750 36.416 102.624 1.00 0.00 C ATOM 605 OH TYR A 38 -61.357 37.271 101.644 1.00 0.00 O ATOM 0 H TYR A 38 -63.181 32.105 107.806 1.00 0.00 H new ATOM 0 HA TYR A 38 -61.785 31.960 105.211 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -63.984 33.083 105.239 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -63.452 34.148 106.525 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -61.916 33.072 103.257 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -63.151 36.358 105.746 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -61.151 34.659 101.517 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -62.400 37.961 103.996 1.00 0.00 H new ATOM 0 HH TYR A 38 -62.078 37.907 101.456 1.00 0.00 H new ATOM 615 N GLU A 39 -59.767 33.359 105.733 1.00 0.00 N ATOM 616 CA GLU A 39 -58.439 33.874 106.110 1.00 0.00 C ATOM 617 C GLU A 39 -57.852 34.870 105.095 1.00 0.00 C ATOM 618 O GLU A 39 -56.743 35.358 105.297 1.00 0.00 O ATOM 619 CB GLU A 39 -57.502 32.675 106.358 1.00 0.00 C ATOM 620 CG GLU A 39 -57.805 32.016 107.715 1.00 0.00 C ATOM 621 CD GLU A 39 -57.085 30.685 107.926 1.00 0.00 C ATOM 622 OE1 GLU A 39 -56.007 30.471 107.332 1.00 0.00 O ATOM 623 OE2 GLU A 39 -57.658 29.813 108.629 1.00 0.00 O ATOM 0 H GLU A 39 -59.831 33.092 104.751 1.00 0.00 H new ATOM 0 HA GLU A 39 -58.546 34.456 107.025 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -57.621 31.943 105.559 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -56.464 33.008 106.334 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -57.522 32.702 108.513 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -58.880 31.855 107.799 1.00 0.00 H new ATOM 630 N GLY A 40 -58.576 35.203 104.018 1.00 0.00 N ATOM 631 CA GLY A 40 -58.071 36.054 102.941 1.00 0.00 C ATOM 632 C GLY A 40 -57.995 37.546 103.273 1.00 0.00 C ATOM 633 O GLY A 40 -56.999 38.181 102.938 1.00 0.00 O ATOM 0 H GLY A 40 -59.534 34.886 103.872 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -57.075 35.709 102.663 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -58.709 35.924 102.067 1.00 0.00 H new ATOM 637 N ALA A 41 -59.055 38.118 103.861 1.00 0.00 N ATOM 638 CA ALA A 41 -59.194 39.575 103.994 1.00 0.00 C ATOM 639 C ALA A 41 -60.047 40.054 105.188 1.00 0.00 C ATOM 640 O ALA A 41 -60.430 41.223 105.227 1.00 0.00 O ATOM 641 CB ALA A 41 -59.752 40.128 102.671 1.00 0.00 C ATOM 0 H ALA A 41 -59.834 37.590 104.255 1.00 0.00 H new ATOM 0 HA ALA A 41 -58.199 39.965 104.208 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -59.864 41.210 102.747 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -59.065 39.890 101.859 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -60.723 39.676 102.469 1.00 0.00 H new ATOM 647 N GLY A 42 -60.410 39.185 106.142 1.00 0.00 N ATOM 648 CA GLY A 42 -61.203 39.561 107.320 1.00 0.00 C ATOM 649 C GLY A 42 -62.704 39.728 107.052 1.00 0.00 C ATOM 650 O GLY A 42 -63.524 39.215 107.812 1.00 0.00 O ATOM 0 H GLY A 42 -60.160 38.196 106.118 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -61.067 38.802 108.091 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -60.813 40.496 107.721 1.00 0.00 H new ATOM 654 N ALA A 43 -63.048 40.447 105.981 1.00 0.00 N ATOM 655 CA ALA A 43 -64.393 40.798 105.523 1.00 0.00 C ATOM 656 C ALA A 43 -65.319 39.585 105.240 1.00 0.00 C ATOM 657 O ALA A 43 -64.834 38.463 105.083 1.00 0.00 O ATOM 658 CB ALA A 43 -64.190 41.655 104.263 1.00 0.00 C ATOM 0 H ALA A 43 -62.334 40.830 105.361 1.00 0.00 H new ATOM 0 HA ALA A 43 -64.916 41.332 106.316 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -65.160 41.954 103.866 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -63.612 42.544 104.517 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -63.653 41.076 103.512 1.00 0.00 H new ATOM 664 N PRO A 44 -66.652 39.791 105.136 1.00 0.00 N ATOM 665 CA PRO A 44 -67.601 38.741 104.756 1.00 0.00 C ATOM 666 C PRO A 44 -67.443 38.257 103.304 1.00 0.00 C ATOM 667 O PRO A 44 -66.883 38.941 102.447 1.00 0.00 O ATOM 668 CB PRO A 44 -68.999 39.342 104.969 1.00 0.00 C ATOM 669 CG PRO A 44 -68.761 40.842 104.837 1.00 0.00 C ATOM 670 CD PRO A 44 -67.377 41.016 105.452 1.00 0.00 C ATOM 0 HA PRO A 44 -67.423 37.855 105.366 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -69.709 38.981 104.226 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -69.403 39.084 105.948 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -68.786 41.166 103.797 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -69.516 41.420 105.369 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -66.871 41.889 105.039 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -67.443 41.166 106.530 1.00 0.00 H new ATOM 678 N CYS A 45 -68.023 37.085 103.031 1.00 0.00 N ATOM 679 CA CYS A 45 -67.976 36.367 101.761 1.00 0.00 C ATOM 680 C CYS A 45 -69.305 35.648 101.480 1.00 0.00 C ATOM 681 O CYS A 45 -69.949 35.164 102.414 1.00 0.00 O ATOM 682 CB CYS A 45 -66.885 35.289 101.873 1.00 0.00 C ATOM 683 SG CYS A 45 -65.189 35.863 102.089 1.00 0.00 S ATOM 0 H CYS A 45 -68.569 36.586 103.733 1.00 0.00 H new ATOM 0 HA CYS A 45 -67.779 37.080 100.960 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -67.133 34.641 102.714 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -66.923 34.674 100.974 1.00 0.00 H new ATOM 688 N LYS A 46 -69.606 35.398 100.194 1.00 0.00 N ATOM 689 CA LYS A 46 -69.977 34.032 99.800 1.00 0.00 C ATOM 690 C LYS A 46 -68.701 33.298 99.389 1.00 0.00 C ATOM 691 O LYS A 46 -67.804 33.915 98.800 1.00 0.00 O ATOM 692 CB LYS A 46 -71.120 33.948 98.773 1.00 0.00 C ATOM 693 CG LYS A 46 -70.761 34.089 97.283 1.00 0.00 C ATOM 694 CD LYS A 46 -71.826 33.461 96.369 1.00 0.00 C ATOM 695 CE LYS A 46 -73.263 33.845 96.757 1.00 0.00 C ATOM 696 NZ LYS A 46 -74.166 33.877 95.586 1.00 0.00 N ATOM 0 H LYS A 46 -69.601 36.088 99.443 1.00 0.00 H new ATOM 0 HA LYS A 46 -70.419 33.525 100.658 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -71.620 32.989 98.907 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -71.846 34.723 99.017 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -70.649 35.145 97.036 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -69.798 33.614 97.096 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -71.640 33.770 95.340 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -71.727 32.376 96.399 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -73.643 33.132 97.488 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -73.259 34.823 97.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -75.124 34.140 95.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -73.819 34.576 94.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -74.191 32.937 95.141 1.00 0.00 H new ATOM 710 N VAL A 47 -68.598 32.021 99.751 1.00 0.00 N ATOM 711 CA VAL A 47 -67.355 31.250 99.631 1.00 0.00 C ATOM 712 C VAL A 47 -67.449 30.350 98.389 1.00 0.00 C ATOM 713 O VAL A 47 -68.417 29.595 98.275 1.00 0.00 O ATOM 714 CB VAL A 47 -66.923 30.539 100.943 1.00 0.00 C ATOM 715 CG1 VAL A 47 -67.656 31.011 102.208 1.00 0.00 C ATOM 716 CG2 VAL A 47 -66.906 29.012 100.931 1.00 0.00 C ATOM 0 H VAL A 47 -69.376 31.486 100.138 1.00 0.00 H new ATOM 0 HA VAL A 47 -66.522 31.935 99.475 1.00 0.00 H new ATOM 0 HB VAL A 47 -65.884 30.867 100.983 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -67.286 30.457 103.071 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -67.477 32.076 102.356 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -68.726 30.835 102.095 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -66.587 28.644 101.906 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -67.906 28.639 100.712 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -66.212 28.662 100.167 1.00 0.00 H new ATOM 726 N PRO A 48 -66.509 30.444 97.424 1.00 0.00 N ATOM 727 CA PRO A 48 -66.525 29.587 96.243 1.00 0.00 C ATOM 728 C PRO A 48 -66.292 28.130 96.659 1.00 0.00 C ATOM 729 O PRO A 48 -65.218 27.815 97.175 1.00 0.00 O ATOM 730 CB PRO A 48 -65.422 30.097 95.305 1.00 0.00 C ATOM 731 CG PRO A 48 -64.763 31.274 96.025 1.00 0.00 C ATOM 732 CD PRO A 48 -65.295 31.245 97.453 1.00 0.00 C ATOM 0 HA PRO A 48 -67.487 29.621 95.731 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -64.695 29.312 95.095 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -65.839 30.410 94.348 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -63.677 31.181 96.011 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -65.008 32.217 95.536 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -64.560 30.812 98.132 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -65.504 32.253 97.810 1.00 0.00 H new ATOM 740 N ILE A 49 -67.291 27.260 96.450 1.00 0.00 N ATOM 741 CA ILE A 49 -67.194 25.817 96.696 1.00 0.00 C ATOM 742 C ILE A 49 -67.580 25.027 95.452 1.00 0.00 C ATOM 743 O ILE A 49 -68.626 25.264 94.849 1.00 0.00 O ATOM 744 CB ILE A 49 -68.002 25.366 97.941 1.00 0.00 C ATOM 745 CG1 ILE A 49 -67.285 25.927 99.184 1.00 0.00 C ATOM 746 CG2 ILE A 49 -68.150 23.831 98.035 1.00 0.00 C ATOM 747 CD1 ILE A 49 -67.744 25.402 100.550 1.00 0.00 C ATOM 0 H ILE A 49 -68.205 27.547 96.099 1.00 0.00 H new ATOM 0 HA ILE A 49 -66.150 25.600 96.922 1.00 0.00 H new ATOM 0 HB ILE A 49 -69.018 25.753 97.867 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -66.220 25.720 99.082 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -67.401 27.011 99.181 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -68.724 23.575 98.925 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -68.668 23.461 97.150 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -67.163 23.373 98.096 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -67.159 25.877 101.338 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -68.800 25.633 100.693 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -67.600 24.322 100.592 1.00 0.00 H new ATOM 759 N GLU A 50 -66.761 24.021 95.146 1.00 0.00 N ATOM 760 CA GLU A 50 -67.088 22.929 94.233 1.00 0.00 C ATOM 761 C GLU A 50 -66.699 21.588 94.874 1.00 0.00 C ATOM 762 O GLU A 50 -65.922 21.543 95.830 1.00 0.00 O ATOM 763 CB GLU A 50 -66.325 23.074 92.903 1.00 0.00 C ATOM 764 CG GLU A 50 -66.430 24.432 92.190 1.00 0.00 C ATOM 765 CD GLU A 50 -65.384 24.516 91.075 1.00 0.00 C ATOM 766 OE1 GLU A 50 -65.337 23.597 90.229 1.00 0.00 O ATOM 767 OE2 GLU A 50 -64.538 25.437 91.093 1.00 0.00 O ATOM 0 H GLU A 50 -65.823 23.942 95.539 1.00 0.00 H new ATOM 0 HA GLU A 50 -68.160 22.963 94.036 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -65.271 22.870 93.092 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -66.682 22.303 92.220 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -67.429 24.558 91.774 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -66.278 25.241 92.905 1.00 0.00 H new ATOM 774 N ILE A 51 -67.140 20.488 94.259 1.00 0.00 N ATOM 775 CA ILE A 51 -66.377 19.237 94.233 1.00 0.00 C ATOM 776 C ILE A 51 -66.117 18.925 92.776 1.00 0.00 C ATOM 777 O ILE A 51 -67.064 18.908 91.986 1.00 0.00 O ATOM 778 CB ILE A 51 -67.100 18.056 94.910 1.00 0.00 C ATOM 779 CG1 ILE A 51 -67.391 18.410 96.374 1.00 0.00 C ATOM 780 CG2 ILE A 51 -66.233 16.785 94.808 1.00 0.00 C ATOM 781 CD1 ILE A 51 -67.907 17.252 97.234 1.00 0.00 C ATOM 0 H ILE A 51 -68.032 20.439 93.767 1.00 0.00 H new ATOM 0 HA ILE A 51 -65.457 19.371 94.802 1.00 0.00 H new ATOM 0 HB ILE A 51 -68.046 17.862 94.405 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -66.478 18.798 96.826 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -68.126 19.215 96.398 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -66.749 15.953 95.288 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -66.059 16.547 93.759 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -65.278 16.955 95.305 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -68.082 17.604 98.251 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -68.840 16.875 96.815 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -67.167 16.452 97.249 1.00 0.00 H new ATOM 793 N ARG A 52 -64.854 18.661 92.442 1.00 0.00 N ATOM 794 CA ARG A 52 -64.417 18.273 91.110 1.00 0.00 C ATOM 795 C ARG A 52 -63.978 16.810 91.041 1.00 0.00 C ATOM 796 O ARG A 52 -63.749 16.145 92.058 1.00 0.00 O ATOM 797 CB ARG A 52 -63.293 19.202 90.642 1.00 0.00 C ATOM 798 CG ARG A 52 -63.725 20.669 90.521 1.00 0.00 C ATOM 799 CD ARG A 52 -62.547 21.442 89.934 1.00 0.00 C ATOM 800 NE ARG A 52 -62.752 22.888 89.967 1.00 0.00 N ATOM 801 CZ ARG A 52 -61.819 23.818 89.839 1.00 0.00 C ATOM 802 NH1 ARG A 52 -60.576 23.520 89.520 1.00 0.00 N ATOM 803 NH2 ARG A 52 -62.125 25.074 90.043 1.00 0.00 N ATOM 0 H ARG A 52 -64.088 18.714 93.113 1.00 0.00 H new ATOM 0 HA ARG A 52 -65.271 18.372 90.440 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -62.460 19.133 91.341 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -62.927 18.858 89.675 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -64.602 20.760 89.880 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -64.000 21.070 91.496 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -61.642 21.194 90.489 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -62.386 21.125 88.904 1.00 0.00 H new ATOM 0 HE ARG A 52 -63.709 23.213 90.102 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -60.309 22.548 89.364 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -59.881 24.261 89.429 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -63.078 25.332 90.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -61.410 25.795 89.946 1.00 0.00 H new ATOM 817 N ASP A 53 -63.886 16.343 89.800 1.00 0.00 N ATOM 818 CA ASP A 53 -63.308 15.075 89.372 1.00 0.00 C ATOM 819 C ASP A 53 -61.858 14.870 89.851 1.00 0.00 C ATOM 820 O ASP A 53 -61.210 15.783 90.362 1.00 0.00 O ATOM 821 CB ASP A 53 -63.435 14.972 87.837 1.00 0.00 C ATOM 822 CG ASP A 53 -62.746 16.066 86.995 1.00 0.00 C ATOM 823 OD1 ASP A 53 -62.260 17.088 87.539 1.00 0.00 O ATOM 824 OD2 ASP A 53 -62.734 15.881 85.758 1.00 0.00 O ATOM 0 H ASP A 53 -64.240 16.881 89.009 1.00 0.00 H new ATOM 0 HA ASP A 53 -63.866 14.266 89.843 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -63.033 14.007 87.529 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -64.496 14.971 87.586 1.00 0.00 H new ATOM 829 N VAL A 54 -61.324 13.653 89.674 1.00 0.00 N ATOM 830 CA VAL A 54 -59.961 13.305 90.118 1.00 0.00 C ATOM 831 C VAL A 54 -58.882 14.197 89.490 1.00 0.00 C ATOM 832 O VAL A 54 -57.908 14.547 90.161 1.00 0.00 O ATOM 833 CB VAL A 54 -59.648 11.806 89.937 1.00 0.00 C ATOM 834 CG1 VAL A 54 -60.633 10.942 90.737 1.00 0.00 C ATOM 835 CG2 VAL A 54 -59.659 11.347 88.472 1.00 0.00 C ATOM 0 H VAL A 54 -61.819 12.884 89.222 1.00 0.00 H new ATOM 0 HA VAL A 54 -59.938 13.505 91.189 1.00 0.00 H new ATOM 0 HB VAL A 54 -58.633 11.675 90.313 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -60.392 9.889 90.594 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -60.558 11.191 91.796 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -61.649 11.133 90.390 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -59.431 10.282 88.423 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -60.644 11.527 88.042 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -58.910 11.905 87.910 1.00 0.00 H new ATOM 845 N ASN A 55 -59.116 14.631 88.244 1.00 0.00 N ATOM 846 CA ASN A 55 -58.324 15.600 87.486 1.00 0.00 C ATOM 847 C ASN A 55 -58.441 17.048 88.013 1.00 0.00 C ATOM 848 O ASN A 55 -57.600 17.881 87.679 1.00 0.00 O ATOM 849 CB ASN A 55 -58.812 15.589 86.031 1.00 0.00 C ATOM 850 CG ASN A 55 -58.536 14.353 85.197 1.00 0.00 C ATOM 851 OD1 ASN A 55 -58.257 13.267 85.683 1.00 0.00 O ATOM 852 ND2 ASN A 55 -58.645 14.515 83.895 1.00 0.00 N ATOM 0 H ASN A 55 -59.914 14.291 87.708 1.00 0.00 H new ATOM 0 HA ASN A 55 -57.280 15.301 87.585 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -59.890 15.753 86.039 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -58.364 16.442 85.522 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -58.496 13.724 83.268 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -58.879 15.431 83.513 1.00 0.00 H new ATOM 859 N LYS A 56 -59.446 17.346 88.852 1.00 0.00 N ATOM 860 CA LYS A 56 -59.683 18.626 89.541 1.00 0.00 C ATOM 861 C LYS A 56 -60.041 19.775 88.582 1.00 0.00 C ATOM 862 O LYS A 56 -59.746 20.944 88.847 1.00 0.00 O ATOM 863 CB LYS A 56 -58.548 18.947 90.546 1.00 0.00 C ATOM 864 CG LYS A 56 -57.998 17.674 91.215 1.00 0.00 C ATOM 865 CD LYS A 56 -57.129 17.901 92.455 1.00 0.00 C ATOM 866 CE LYS A 56 -56.205 16.696 92.705 1.00 0.00 C ATOM 867 NZ LYS A 56 -56.908 15.391 92.617 1.00 0.00 N ATOM 0 H LYS A 56 -60.161 16.656 89.082 1.00 0.00 H new ATOM 0 HA LYS A 56 -60.584 18.510 90.144 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -57.740 19.463 90.028 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -58.922 19.627 91.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -58.839 17.039 91.494 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -57.413 17.122 90.479 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -56.531 18.803 92.325 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -57.765 18.064 93.325 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -55.392 16.713 91.979 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -55.753 16.792 93.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -56.254 14.626 92.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -57.719 15.389 93.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -57.244 15.243 91.644 1.00 0.00 H new ATOM 881 N GLU A 57 -60.749 19.446 87.497 1.00 0.00 N ATOM 882 CA GLU A 57 -61.112 20.339 86.384 1.00 0.00 C ATOM 883 C GLU A 57 -62.629 20.481 86.175 1.00 0.00 C ATOM 884 O GLU A 57 -63.056 21.531 85.697 1.00 0.00 O ATOM 885 CB GLU A 57 -60.438 19.878 85.067 1.00 0.00 C ATOM 886 CG GLU A 57 -60.619 18.372 84.844 1.00 0.00 C ATOM 887 CD GLU A 57 -60.323 17.856 83.432 1.00 0.00 C ATOM 888 OE1 GLU A 57 -61.180 18.105 82.552 1.00 0.00 O ATOM 889 OE2 GLU A 57 -59.378 17.050 83.269 1.00 0.00 O ATOM 0 H GLU A 57 -61.105 18.500 87.361 1.00 0.00 H new ATOM 0 HA GLU A 57 -60.741 21.325 86.663 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -60.865 20.426 84.227 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -59.375 20.118 85.097 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -59.974 17.842 85.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -61.646 18.110 85.096 1.00 0.00 H new ATOM 896 N LYS A 58 -63.450 19.479 86.535 1.00 0.00 N ATOM 897 CA LYS A 58 -64.892 19.457 86.222 1.00 0.00 C ATOM 898 C LYS A 58 -65.728 19.057 87.436 1.00 0.00 C ATOM 899 O LYS A 58 -65.387 18.105 88.135 1.00 0.00 O ATOM 900 CB LYS A 58 -65.169 18.499 85.051 1.00 0.00 C ATOM 901 CG LYS A 58 -64.467 18.938 83.755 1.00 0.00 C ATOM 902 CD LYS A 58 -64.775 18.036 82.551 1.00 0.00 C ATOM 903 CE LYS A 58 -64.454 16.545 82.738 1.00 0.00 C ATOM 904 NZ LYS A 58 -63.052 16.308 83.150 1.00 0.00 N ATOM 0 H LYS A 58 -63.133 18.659 87.052 1.00 0.00 H new ATOM 0 HA LYS A 58 -65.182 20.468 85.936 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -64.836 17.496 85.319 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -66.244 18.443 84.878 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -64.765 19.959 83.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -63.390 18.951 83.922 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -65.833 18.134 82.308 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -64.215 18.405 81.691 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -65.124 16.125 83.488 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -64.648 16.016 81.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -62.827 15.298 83.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -62.414 16.867 82.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -62.929 16.593 84.143 1.00 0.00 H new ATOM 918 N VAL A 59 -66.825 19.787 87.670 1.00 0.00 N ATOM 919 CA VAL A 59 -67.726 19.641 88.825 1.00 0.00 C ATOM 920 C VAL A 59 -68.439 18.278 88.827 1.00 0.00 C ATOM 921 O VAL A 59 -68.950 17.840 87.799 1.00 0.00 O ATOM 922 CB VAL A 59 -68.774 20.779 88.864 1.00 0.00 C ATOM 923 CG1 VAL A 59 -69.599 20.743 90.162 1.00 0.00 C ATOM 924 CG2 VAL A 59 -68.122 22.168 88.784 1.00 0.00 C ATOM 0 H VAL A 59 -67.124 20.527 87.035 1.00 0.00 H new ATOM 0 HA VAL A 59 -67.103 19.702 89.718 1.00 0.00 H new ATOM 0 HB VAL A 59 -69.414 20.615 87.997 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -70.325 21.556 90.155 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -70.123 19.790 90.234 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -68.935 20.857 91.019 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -68.896 22.935 88.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -67.445 22.301 89.628 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -67.562 22.254 87.853 1.00 0.00 H new ATOM 934 N VAL A 60 -68.510 17.636 90.000 1.00 0.00 N ATOM 935 CA VAL A 60 -69.142 16.322 90.230 1.00 0.00 C ATOM 936 C VAL A 60 -70.046 16.251 91.474 1.00 0.00 C ATOM 937 O VAL A 60 -70.776 15.267 91.624 1.00 0.00 O ATOM 938 CB VAL A 60 -68.082 15.200 90.298 1.00 0.00 C ATOM 939 CG1 VAL A 60 -67.318 15.038 88.979 1.00 0.00 C ATOM 940 CG2 VAL A 60 -67.075 15.429 91.430 1.00 0.00 C ATOM 0 H VAL A 60 -68.113 18.031 90.853 1.00 0.00 H new ATOM 0 HA VAL A 60 -69.794 16.176 89.369 1.00 0.00 H new ATOM 0 HB VAL A 60 -68.640 14.285 90.495 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -66.585 14.237 89.079 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -68.018 14.791 88.181 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -66.807 15.970 88.738 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -66.349 14.616 91.441 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -66.558 16.376 91.271 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -67.601 15.458 92.384 1.00 0.00 H new ATOM 950 N GLY A 61 -70.045 17.266 92.353 1.00 0.00 N ATOM 951 CA GLY A 61 -70.827 17.288 93.601 1.00 0.00 C ATOM 952 C GLY A 61 -71.921 18.363 93.654 1.00 0.00 C ATOM 953 O GLY A 61 -71.960 19.262 92.815 1.00 0.00 O ATOM 0 H GLY A 61 -69.490 18.111 92.214 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -71.290 16.311 93.741 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -70.146 17.441 94.438 1.00 0.00 H new ATOM 957 N ARG A 62 -72.797 18.274 94.667 1.00 0.00 N ATOM 958 CA ARG A 62 -73.951 19.166 94.902 1.00 0.00 C ATOM 959 C ARG A 62 -73.971 19.665 96.353 1.00 0.00 C ATOM 960 O ARG A 62 -74.176 18.874 97.271 1.00 0.00 O ATOM 961 CB ARG A 62 -75.265 18.421 94.594 1.00 0.00 C ATOM 962 CG ARG A 62 -75.464 18.060 93.109 1.00 0.00 C ATOM 963 CD ARG A 62 -75.997 16.629 92.917 1.00 0.00 C ATOM 964 NE ARG A 62 -75.027 15.602 93.343 1.00 0.00 N ATOM 965 CZ ARG A 62 -73.879 15.269 92.776 1.00 0.00 C ATOM 966 NH1 ARG A 62 -73.449 15.798 91.659 1.00 0.00 N ATOM 967 NH2 ARG A 62 -73.116 14.390 93.362 1.00 0.00 N ATOM 0 H ARG A 62 -72.720 17.547 95.378 1.00 0.00 H new ATOM 0 HA ARG A 62 -73.856 20.026 94.239 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -75.295 17.505 95.184 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -76.102 19.038 94.920 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -76.159 18.767 92.657 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -74.515 18.165 92.583 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -76.920 16.510 93.484 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -76.246 16.475 91.867 1.00 0.00 H new ATOM 0 HE ARG A 62 -75.274 15.081 94.184 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -74.008 16.505 91.181 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -72.555 15.503 91.266 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -73.407 13.970 94.245 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -72.228 14.122 92.938 1.00 0.00 H new ATOM 981 N ILE A 63 -73.735 20.961 96.581 1.00 0.00 N ATOM 982 CA ILE A 63 -73.896 21.584 97.907 1.00 0.00 C ATOM 983 C ILE A 63 -75.381 21.575 98.302 1.00 0.00 C ATOM 984 O ILE A 63 -76.220 21.976 97.497 1.00 0.00 O ATOM 985 CB ILE A 63 -73.332 23.032 97.992 1.00 0.00 C ATOM 986 CG1 ILE A 63 -72.409 23.499 96.840 1.00 0.00 C ATOM 987 CG2 ILE A 63 -72.573 23.167 99.323 1.00 0.00 C ATOM 988 CD1 ILE A 63 -73.198 24.000 95.619 1.00 0.00 C ATOM 0 H ILE A 63 -73.428 21.610 95.856 1.00 0.00 H new ATOM 0 HA ILE A 63 -73.308 20.988 98.605 1.00 0.00 H new ATOM 0 HB ILE A 63 -74.204 23.681 97.912 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -71.759 24.296 97.200 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -71.764 22.674 96.538 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -72.166 24.175 99.409 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -73.256 22.979 100.152 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -71.759 22.443 99.353 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -72.503 24.315 94.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -73.828 23.196 95.238 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -73.823 24.844 95.911 1.00 0.00 H new ATOM 1000 N ILE A 64 -75.706 21.136 99.527 1.00 0.00 N ATOM 1001 CA ILE A 64 -77.094 21.068 100.021 1.00 0.00 C ATOM 1002 C ILE A 64 -77.369 22.155 101.070 1.00 0.00 C ATOM 1003 O ILE A 64 -78.467 22.707 101.104 1.00 0.00 O ATOM 1004 CB ILE A 64 -77.435 19.635 100.507 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -77.285 18.659 99.310 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -78.849 19.576 101.119 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -77.892 17.266 99.504 1.00 0.00 C ATOM 0 H ILE A 64 -75.015 20.817 100.206 1.00 0.00 H new ATOM 0 HA ILE A 64 -77.772 21.280 99.194 1.00 0.00 H new ATOM 0 HB ILE A 64 -76.745 19.340 101.297 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -77.745 19.116 98.434 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -76.224 18.544 99.090 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -79.060 18.559 101.451 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -78.906 20.254 101.970 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -79.583 19.873 100.369 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -77.729 16.670 98.606 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -77.418 16.778 100.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -78.962 17.358 99.689 1.00 0.00 H new ATOM 1019 N SER A 65 -76.363 22.537 101.865 1.00 0.00 N ATOM 1020 CA SER A 65 -76.411 23.604 102.879 1.00 0.00 C ATOM 1021 C SER A 65 -76.553 25.044 102.319 1.00 0.00 C ATOM 1022 O SER A 65 -75.966 25.981 102.871 1.00 0.00 O ATOM 1023 CB SER A 65 -75.164 23.441 103.754 1.00 0.00 C ATOM 1024 OG SER A 65 -75.088 24.436 104.747 1.00 0.00 O ATOM 0 H SER A 65 -75.447 22.090 101.819 1.00 0.00 H new ATOM 0 HA SER A 65 -77.326 23.486 103.459 1.00 0.00 H new ATOM 0 HB2 SER A 65 -75.176 22.458 104.225 1.00 0.00 H new ATOM 0 HB3 SER A 65 -74.273 23.483 103.128 1.00 0.00 H new ATOM 0 HG SER A 65 -75.240 25.315 104.341 1.00 0.00 H new ATOM 1030 N SER A 66 -77.344 25.238 101.256 1.00 0.00 N ATOM 1031 CA SER A 66 -77.483 26.475 100.470 1.00 0.00 C ATOM 1032 C SER A 66 -76.156 26.943 99.840 1.00 0.00 C ATOM 1033 O SER A 66 -75.163 26.217 99.849 1.00 0.00 O ATOM 1034 CB SER A 66 -78.175 27.556 101.316 1.00 0.00 C ATOM 1035 OG SER A 66 -78.658 28.599 100.489 1.00 0.00 O ATOM 0 H SER A 66 -77.941 24.492 100.899 1.00 0.00 H new ATOM 0 HA SER A 66 -78.123 26.264 99.613 1.00 0.00 H new ATOM 0 HB2 SER A 66 -79.000 27.115 101.875 1.00 0.00 H new ATOM 0 HB3 SER A 66 -77.474 27.959 102.047 1.00 0.00 H new ATOM 0 HG SER A 66 -79.097 29.278 101.042 1.00 0.00 H new ATOM 1041 N THR A 67 -76.142 28.136 99.231 1.00 0.00 N ATOM 1042 CA THR A 67 -74.949 28.794 98.678 1.00 0.00 C ATOM 1043 C THR A 67 -74.014 29.268 99.811 1.00 0.00 C ATOM 1044 O THR A 67 -74.368 30.206 100.528 1.00 0.00 O ATOM 1045 CB THR A 67 -75.318 29.962 97.745 1.00 0.00 C ATOM 1046 OG1 THR A 67 -76.475 30.647 98.161 1.00 0.00 O ATOM 1047 CG2 THR A 67 -75.596 29.470 96.324 1.00 0.00 C ATOM 0 H THR A 67 -76.990 28.689 99.105 1.00 0.00 H new ATOM 0 HA THR A 67 -74.418 28.056 98.076 1.00 0.00 H new ATOM 0 HB THR A 67 -74.458 30.630 97.776 1.00 0.00 H new ATOM 0 HG1 THR A 67 -76.664 31.379 97.537 1.00 0.00 H new ATOM 0 HG21 THR A 67 -75.854 30.318 95.689 1.00 0.00 H new ATOM 0 HG22 THR A 67 -74.707 28.978 95.929 1.00 0.00 H new ATOM 0 HG23 THR A 67 -76.426 28.763 96.339 1.00 0.00 H new ATOM 1055 N PRO A 68 -72.840 28.630 100.012 1.00 0.00 N ATOM 1056 CA PRO A 68 -71.949 28.862 101.156 1.00 0.00 C ATOM 1057 C PRO A 68 -71.545 30.320 101.410 1.00 0.00 C ATOM 1058 O PRO A 68 -71.176 31.045 100.486 1.00 0.00 O ATOM 1059 CB PRO A 68 -70.701 28.034 100.853 1.00 0.00 C ATOM 1060 CG PRO A 68 -71.265 26.852 100.085 1.00 0.00 C ATOM 1061 CD PRO A 68 -72.301 27.537 99.207 1.00 0.00 C ATOM 0 HA PRO A 68 -72.480 28.581 102.066 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -69.977 28.594 100.261 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -70.192 27.720 101.764 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -70.502 26.341 99.498 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -71.712 26.108 100.745 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -71.849 27.913 98.289 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -73.088 26.842 98.914 1.00 0.00 H new ATOM 1069 N LEU A 69 -71.509 30.720 102.689 1.00 0.00 N ATOM 1070 CA LEU A 69 -71.090 32.054 103.123 1.00 0.00 C ATOM 1071 C LEU A 69 -70.209 32.043 104.382 1.00 0.00 C ATOM 1072 O LEU A 69 -70.132 31.043 105.099 1.00 0.00 O ATOM 1073 CB LEU A 69 -72.324 32.968 103.283 1.00 0.00 C ATOM 1074 CG LEU A 69 -73.308 32.534 104.393 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -73.825 33.753 105.161 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -74.509 31.777 103.819 1.00 0.00 C ATOM 0 H LEU A 69 -71.776 30.112 103.463 1.00 0.00 H new ATOM 0 HA LEU A 69 -70.450 32.462 102.340 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -71.984 33.982 103.494 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -72.860 33.002 102.334 1.00 0.00 H new ATOM 0 HG LEU A 69 -72.758 31.873 105.063 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -74.516 33.427 105.938 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -72.986 34.278 105.618 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -74.341 34.424 104.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -75.178 31.488 104.629 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -75.043 32.419 103.119 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -74.162 30.884 103.300 1.00 0.00 H new ATOM 1088 N ALA A 70 -69.576 33.191 104.644 1.00 0.00 N ATOM 1089 CA ALA A 70 -68.829 33.499 105.862 1.00 0.00 C ATOM 1090 C ALA A 70 -69.056 34.976 106.226 1.00 0.00 C ATOM 1091 O ALA A 70 -68.938 35.851 105.369 1.00 0.00 O ATOM 1092 CB ALA A 70 -67.341 33.191 105.642 1.00 0.00 C ATOM 0 H ALA A 70 -69.572 33.965 103.980 1.00 0.00 H new ATOM 0 HA ALA A 70 -69.177 32.884 106.692 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -66.784 33.421 106.550 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -67.220 32.135 105.399 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -66.961 33.798 104.820 1.00 0.00 H new ATOM 1098 N GLU A 71 -69.410 35.264 107.481 1.00 0.00 N ATOM 1099 CA GLU A 71 -69.758 36.620 107.934 1.00 0.00 C ATOM 1100 C GLU A 71 -68.536 37.489 108.306 1.00 0.00 C ATOM 1101 O GLU A 71 -68.653 38.719 108.369 1.00 0.00 O ATOM 1102 CB GLU A 71 -70.739 36.503 109.116 1.00 0.00 C ATOM 1103 CG GLU A 71 -72.166 36.115 108.688 1.00 0.00 C ATOM 1104 CD GLU A 71 -72.895 37.197 107.880 1.00 0.00 C ATOM 1105 OE1 GLU A 71 -72.399 38.346 107.778 1.00 0.00 O ATOM 1106 OE2 GLU A 71 -73.972 36.904 107.319 1.00 0.00 O ATOM 0 H GLU A 71 -69.465 34.561 108.218 1.00 0.00 H new ATOM 0 HA GLU A 71 -70.225 37.140 107.097 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -70.363 35.759 109.819 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -70.773 37.454 109.647 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -72.120 35.202 108.094 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -72.751 35.886 109.579 1.00 0.00 H new ATOM 1113 N ASN A 72 -67.375 36.867 108.533 1.00 0.00 N ATOM 1114 CA ASN A 72 -66.057 37.448 108.808 1.00 0.00 C ATOM 1115 C ASN A 72 -65.007 36.322 108.853 1.00 0.00 C ATOM 1116 O ASN A 72 -65.373 35.146 108.890 1.00 0.00 O ATOM 1117 CB ASN A 72 -66.086 38.201 110.162 1.00 0.00 C ATOM 1118 CG ASN A 72 -65.813 39.688 110.008 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -64.899 40.238 110.597 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -66.620 40.375 109.227 1.00 0.00 N ATOM 0 H ASN A 72 -67.330 35.848 108.528 1.00 0.00 H new ATOM 0 HA ASN A 72 -65.797 38.155 108.020 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -67.060 38.061 110.631 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -65.344 37.766 110.832 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -66.484 41.379 109.110 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -67.382 39.903 108.739 1.00 0.00 H new ATOM 1127 N THR A 73 -63.715 36.663 108.950 1.00 0.00 N ATOM 1128 CA THR A 73 -62.638 35.684 109.183 1.00 0.00 C ATOM 1129 C THR A 73 -62.915 34.782 110.382 1.00 0.00 C ATOM 1130 O THR A 73 -62.831 33.568 110.259 1.00 0.00 O ATOM 1131 CB THR A 73 -61.254 36.361 109.266 1.00 0.00 C ATOM 1132 OG1 THR A 73 -60.685 36.285 107.981 1.00 0.00 O ATOM 1133 CG2 THR A 73 -60.225 35.730 110.215 1.00 0.00 C ATOM 0 H THR A 73 -63.384 37.625 108.870 1.00 0.00 H new ATOM 0 HA THR A 73 -62.619 35.030 108.312 1.00 0.00 H new ATOM 0 HB THR A 73 -61.450 37.361 109.652 1.00 0.00 H new ATOM 0 HG1 THR A 73 -60.360 35.374 107.820 1.00 0.00 H new ATOM 0 HG21 THR A 73 -59.298 36.302 110.178 1.00 0.00 H new ATOM 0 HG22 THR A 73 -60.616 35.738 111.232 1.00 0.00 H new ATOM 0 HG23 THR A 73 -60.030 34.702 109.909 1.00 0.00 H new ATOM 1141 N ASN A 74 -63.294 35.355 111.527 1.00 0.00 N ATOM 1142 CA ASN A 74 -63.604 34.604 112.744 1.00 0.00 C ATOM 1143 C ASN A 74 -64.941 33.834 112.684 1.00 0.00 C ATOM 1144 O ASN A 74 -65.288 33.166 113.655 1.00 0.00 O ATOM 1145 CB ASN A 74 -63.561 35.576 113.935 1.00 0.00 C ATOM 1146 CG ASN A 74 -62.202 36.246 114.060 1.00 0.00 C ATOM 1147 OD1 ASN A 74 -61.905 37.207 113.368 1.00 0.00 O ATOM 1148 ND2 ASN A 74 -61.330 35.743 114.911 1.00 0.00 N ATOM 0 H ASN A 74 -63.395 36.364 111.635 1.00 0.00 H new ATOM 0 HA ASN A 74 -62.850 33.825 112.860 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -64.333 36.336 113.813 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -63.787 35.036 114.855 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -60.401 36.157 114.994 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -61.584 34.940 115.487 1.00 0.00 H new ATOM 1155 N SER A 75 -65.695 33.913 111.577 1.00 0.00 N ATOM 1156 CA SER A 75 -66.880 33.074 111.363 1.00 0.00 C ATOM 1157 C SER A 75 -66.489 31.703 110.817 1.00 0.00 C ATOM 1158 O SER A 75 -65.510 31.566 110.083 1.00 0.00 O ATOM 1159 CB SER A 75 -67.837 33.736 110.373 1.00 0.00 C ATOM 1160 OG SER A 75 -68.138 35.033 110.829 1.00 0.00 O ATOM 0 H SER A 75 -65.501 34.557 110.810 1.00 0.00 H new ATOM 0 HA SER A 75 -67.371 32.954 112.329 1.00 0.00 H new ATOM 0 HB2 SER A 75 -67.384 33.780 109.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 -68.750 33.148 110.280 1.00 0.00 H new ATOM 0 HG SER A 75 -68.929 35.001 111.407 1.00 0.00 H new ATOM 1166 N VAL A 76 -67.317 30.700 111.114 1.00 0.00 N ATOM 1167 CA VAL A 76 -67.172 29.336 110.603 1.00 0.00 C ATOM 1168 C VAL A 76 -68.501 28.827 110.060 1.00 0.00 C ATOM 1169 O VAL A 76 -69.558 29.185 110.581 1.00 0.00 O ATOM 1170 CB VAL A 76 -66.622 28.377 111.677 1.00 0.00 C ATOM 1171 CG1 VAL A 76 -65.155 28.678 111.993 1.00 0.00 C ATOM 1172 CG2 VAL A 76 -67.421 28.378 112.989 1.00 0.00 C ATOM 0 H VAL A 76 -68.123 30.815 111.729 1.00 0.00 H new ATOM 0 HA VAL A 76 -66.447 29.365 109.790 1.00 0.00 H new ATOM 0 HB VAL A 76 -66.721 27.385 111.237 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -64.797 27.984 112.754 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -64.557 28.565 111.089 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -65.064 29.700 112.362 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -66.969 27.677 113.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -67.412 29.379 113.420 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -68.450 28.078 112.789 1.00 0.00 H new ATOM 1182 N THR A 77 -68.440 27.968 109.038 1.00 0.00 N ATOM 1183 CA THR A 77 -69.636 27.481 108.334 1.00 0.00 C ATOM 1184 C THR A 77 -69.505 25.979 108.063 1.00 0.00 C ATOM 1185 O THR A 77 -68.684 25.565 107.246 1.00 0.00 O ATOM 1186 CB THR A 77 -69.909 28.284 107.038 1.00 0.00 C ATOM 1187 OG1 THR A 77 -69.668 29.665 107.216 1.00 0.00 O ATOM 1188 CG2 THR A 77 -71.369 28.152 106.606 1.00 0.00 C ATOM 0 H THR A 77 -67.565 27.590 108.675 1.00 0.00 H new ATOM 0 HA THR A 77 -70.503 27.638 108.976 1.00 0.00 H new ATOM 0 HB THR A 77 -69.236 27.872 106.286 1.00 0.00 H new ATOM 0 HG1 THR A 77 -69.512 30.085 106.344 1.00 0.00 H new ATOM 0 HG21 THR A 77 -71.532 28.726 105.694 1.00 0.00 H new ATOM 0 HG22 THR A 77 -71.600 27.103 106.421 1.00 0.00 H new ATOM 0 HG23 THR A 77 -72.018 28.533 107.395 1.00 0.00 H new ATOM 1196 N ASN A 78 -70.279 25.158 108.786 1.00 0.00 N ATOM 1197 CA ASN A 78 -70.404 23.711 108.573 1.00 0.00 C ATOM 1198 C ASN A 78 -71.436 23.397 107.474 1.00 0.00 C ATOM 1199 O ASN A 78 -72.631 23.638 107.644 1.00 0.00 O ATOM 1200 CB ASN A 78 -70.679 22.976 109.901 1.00 0.00 C ATOM 1201 CG ASN A 78 -71.702 23.626 110.824 1.00 0.00 C ATOM 1202 OD1 ASN A 78 -71.431 23.876 111.986 1.00 0.00 O ATOM 1203 ND2 ASN A 78 -72.888 23.930 110.343 1.00 0.00 N ATOM 0 H ASN A 78 -70.853 25.494 109.559 1.00 0.00 H new ATOM 0 HA ASN A 78 -69.450 23.330 108.208 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -71.017 21.966 109.671 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -69.738 22.882 110.443 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -73.583 24.376 110.942 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -73.113 23.720 109.371 1.00 0.00 H new ATOM 1210 N ILE A 79 -70.954 22.883 106.342 1.00 0.00 N ATOM 1211 CA ILE A 79 -71.648 22.809 105.054 1.00 0.00 C ATOM 1212 C ILE A 79 -71.880 21.345 104.671 1.00 0.00 C ATOM 1213 O ILE A 79 -70.924 20.612 104.410 1.00 0.00 O ATOM 1214 CB ILE A 79 -70.805 23.586 104.012 1.00 0.00 C ATOM 1215 CG1 ILE A 79 -70.894 25.102 104.305 1.00 0.00 C ATOM 1216 CG2 ILE A 79 -71.218 23.318 102.552 1.00 0.00 C ATOM 1217 CD1 ILE A 79 -69.667 25.877 103.824 1.00 0.00 C ATOM 0 H ILE A 79 -70.016 22.485 106.296 1.00 0.00 H new ATOM 0 HA ILE A 79 -72.635 23.269 105.104 1.00 0.00 H new ATOM 0 HB ILE A 79 -69.781 23.227 104.113 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -71.784 25.508 103.824 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -71.014 25.253 105.378 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -70.583 23.897 101.882 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -71.106 22.257 102.331 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -72.258 23.611 102.409 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -69.790 26.934 104.058 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -68.777 25.495 104.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -69.559 25.754 102.746 1.00 0.00 H new ATOM 1229 N GLU A 80 -73.152 20.925 104.648 1.00 0.00 N ATOM 1230 CA GLU A 80 -73.599 19.673 104.025 1.00 0.00 C ATOM 1231 C GLU A 80 -73.501 19.739 102.489 1.00 0.00 C ATOM 1232 O GLU A 80 -74.031 20.654 101.841 1.00 0.00 O ATOM 1233 CB GLU A 80 -75.034 19.314 104.451 1.00 0.00 C ATOM 1234 CG GLU A 80 -75.383 17.907 103.929 1.00 0.00 C ATOM 1235 CD GLU A 80 -76.779 17.396 104.295 1.00 0.00 C ATOM 1236 OE1 GLU A 80 -77.703 18.217 104.464 1.00 0.00 O ATOM 1237 OE2 GLU A 80 -76.916 16.146 104.326 1.00 0.00 O ATOM 0 H GLU A 80 -73.913 21.457 105.070 1.00 0.00 H new ATOM 0 HA GLU A 80 -72.930 18.887 104.376 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -75.121 19.344 105.537 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -75.737 20.046 104.055 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -75.288 17.908 102.843 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -74.645 17.203 104.313 1.00 0.00 H new ATOM 1244 N LEU A 81 -72.834 18.731 101.921 1.00 0.00 N ATOM 1245 CA LEU A 81 -72.416 18.646 100.528 1.00 0.00 C ATOM 1246 C LEU A 81 -72.457 17.178 100.046 1.00 0.00 C ATOM 1247 O LEU A 81 -72.168 16.253 100.803 1.00 0.00 O ATOM 1248 CB LEU A 81 -71.018 19.297 100.515 1.00 0.00 C ATOM 1249 CG LEU A 81 -70.153 19.164 99.259 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -70.801 19.725 97.995 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -68.844 19.924 99.511 1.00 0.00 C ATOM 0 H LEU A 81 -72.558 17.907 102.456 1.00 0.00 H new ATOM 0 HA LEU A 81 -73.070 19.164 99.827 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -71.148 20.361 100.715 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -70.453 18.882 101.350 1.00 0.00 H new ATOM 0 HG LEU A 81 -70.000 18.099 99.083 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -70.125 19.593 97.150 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -71.734 19.197 97.799 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -71.007 20.787 98.132 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -68.204 19.848 98.632 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -69.065 20.973 99.710 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -68.332 19.492 100.371 1.00 0.00 H new ATOM 1263 N GLU A 82 -72.831 16.957 98.781 1.00 0.00 N ATOM 1264 CA GLU A 82 -73.125 15.645 98.190 1.00 0.00 C ATOM 1265 C GLU A 82 -72.120 15.324 97.054 1.00 0.00 C ATOM 1266 O GLU A 82 -72.302 15.794 95.930 1.00 0.00 O ATOM 1267 CB GLU A 82 -74.610 15.636 97.765 1.00 0.00 C ATOM 1268 CG GLU A 82 -75.301 14.260 97.773 1.00 0.00 C ATOM 1269 CD GLU A 82 -75.181 13.426 96.492 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -74.681 13.930 95.461 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -75.573 12.235 96.561 1.00 0.00 O ATOM 0 H GLU A 82 -72.942 17.719 98.112 1.00 0.00 H new ATOM 0 HA GLU A 82 -72.991 14.837 98.909 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -75.162 16.303 98.428 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -74.683 16.053 96.760 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -74.892 13.678 98.599 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -76.360 14.411 97.984 1.00 0.00 H new ATOM 1278 N PRO A 83 -71.014 14.603 97.340 1.00 0.00 N ATOM 1279 CA PRO A 83 -70.032 14.139 96.343 1.00 0.00 C ATOM 1280 C PRO A 83 -70.547 12.965 95.485 1.00 0.00 C ATOM 1281 O PRO A 83 -71.561 12.360 95.823 1.00 0.00 O ATOM 1282 CB PRO A 83 -68.801 13.699 97.150 1.00 0.00 C ATOM 1283 CG PRO A 83 -69.288 13.500 98.581 1.00 0.00 C ATOM 1284 CD PRO A 83 -70.583 14.283 98.691 1.00 0.00 C ATOM 0 HA PRO A 83 -69.815 14.941 95.637 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -68.380 12.777 96.749 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -68.015 14.453 97.106 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -69.451 12.444 98.795 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -68.551 13.861 99.298 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -71.343 13.697 99.208 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -70.433 15.193 99.272 1.00 0.00 H new ATOM 1292 N PRO A 84 -69.848 12.558 94.408 1.00 0.00 N ATOM 1293 CA PRO A 84 -70.129 11.296 93.716 1.00 0.00 C ATOM 1294 C PRO A 84 -69.700 10.085 94.566 1.00 0.00 C ATOM 1295 O PRO A 84 -68.873 10.206 95.469 1.00 0.00 O ATOM 1296 CB PRO A 84 -69.315 11.376 92.422 1.00 0.00 C ATOM 1297 CG PRO A 84 -68.090 12.181 92.850 1.00 0.00 C ATOM 1298 CD PRO A 84 -68.687 13.206 93.817 1.00 0.00 C ATOM 0 HA PRO A 84 -71.194 11.161 93.526 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -69.042 10.387 92.053 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -69.868 11.872 91.625 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -67.342 11.554 93.335 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -67.603 12.660 92.001 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -67.965 13.490 94.582 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -68.972 14.119 93.294 1.00 0.00 H new ATOM 1306 N PHE A 85 -70.218 8.890 94.251 1.00 0.00 N ATOM 1307 CA PHE A 85 -69.761 7.627 94.846 1.00 0.00 C ATOM 1308 C PHE A 85 -68.420 7.176 94.237 1.00 0.00 C ATOM 1309 O PHE A 85 -68.363 6.254 93.426 1.00 0.00 O ATOM 1310 CB PHE A 85 -70.860 6.557 94.750 1.00 0.00 C ATOM 1311 CG PHE A 85 -72.015 6.789 95.708 1.00 0.00 C ATOM 1312 CD1 PHE A 85 -71.851 6.514 97.081 1.00 0.00 C ATOM 1313 CD2 PHE A 85 -73.248 7.280 95.239 1.00 0.00 C ATOM 1314 CE1 PHE A 85 -72.911 6.735 97.978 1.00 0.00 C ATOM 1315 CE2 PHE A 85 -74.311 7.493 96.136 1.00 0.00 C ATOM 1316 CZ PHE A 85 -74.142 7.220 97.505 1.00 0.00 C ATOM 0 H PHE A 85 -70.970 8.772 93.572 1.00 0.00 H new ATOM 0 HA PHE A 85 -69.570 7.786 95.907 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -71.244 6.532 93.730 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -70.423 5.579 94.950 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -70.908 6.132 97.445 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -73.378 7.494 94.188 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -72.779 6.532 99.031 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -75.257 7.866 95.773 1.00 0.00 H new ATOM 0 HZ PHE A 85 -74.958 7.383 98.193 1.00 0.00 H new ATOM 1326 N GLY A 86 -67.338 7.848 94.638 1.00 0.00 N ATOM 1327 CA GLY A 86 -65.966 7.590 94.205 1.00 0.00 C ATOM 1328 C GLY A 86 -64.988 8.589 94.826 1.00 0.00 C ATOM 1329 O GLY A 86 -65.373 9.349 95.721 1.00 0.00 O ATOM 0 H GLY A 86 -67.399 8.620 95.302 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -65.679 6.576 94.484 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -65.908 7.650 93.118 1.00 0.00 H new ATOM 1333 N ASP A 87 -63.731 8.582 94.361 1.00 0.00 N ATOM 1334 CA ASP A 87 -62.755 9.616 94.718 1.00 0.00 C ATOM 1335 C ASP A 87 -63.118 10.962 94.077 1.00 0.00 C ATOM 1336 O ASP A 87 -63.591 11.025 92.941 1.00 0.00 O ATOM 1337 CB ASP A 87 -61.321 9.221 94.320 1.00 0.00 C ATOM 1338 CG ASP A 87 -60.287 10.126 95.007 1.00 0.00 C ATOM 1339 OD1 ASP A 87 -60.539 10.514 96.168 1.00 0.00 O ATOM 1340 OD2 ASP A 87 -59.262 10.463 94.368 1.00 0.00 O ATOM 0 H ASP A 87 -63.366 7.866 93.733 1.00 0.00 H new ATOM 0 HA ASP A 87 -62.789 9.716 95.803 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -61.138 8.182 94.593 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -61.208 9.291 93.238 1.00 0.00 H new ATOM 1345 N SER A 88 -62.896 12.045 94.819 1.00 0.00 N ATOM 1346 CA SER A 88 -63.363 13.384 94.474 1.00 0.00 C ATOM 1347 C SER A 88 -62.566 14.461 95.216 1.00 0.00 C ATOM 1348 O SER A 88 -61.940 14.177 96.239 1.00 0.00 O ATOM 1349 CB SER A 88 -64.858 13.469 94.810 1.00 0.00 C ATOM 1350 OG SER A 88 -65.106 13.406 96.204 1.00 0.00 O ATOM 0 H SER A 88 -62.375 12.014 95.695 1.00 0.00 H new ATOM 0 HA SER A 88 -63.211 13.564 93.410 1.00 0.00 H new ATOM 0 HB2 SER A 88 -65.264 14.400 94.414 1.00 0.00 H new ATOM 0 HB3 SER A 88 -65.385 12.655 94.313 1.00 0.00 H new ATOM 0 HG SER A 88 -64.695 12.597 96.573 1.00 0.00 H new ATOM 1356 N TYR A 89 -62.585 15.696 94.699 1.00 0.00 N ATOM 1357 CA TYR A 89 -61.768 16.795 95.223 1.00 0.00 C ATOM 1358 C TYR A 89 -62.615 18.038 95.447 1.00 0.00 C ATOM 1359 O TYR A 89 -62.994 18.731 94.503 1.00 0.00 O ATOM 1360 CB TYR A 89 -60.541 17.043 94.333 1.00 0.00 C ATOM 1361 CG TYR A 89 -59.612 15.848 94.376 1.00 0.00 C ATOM 1362 CD1 TYR A 89 -59.878 14.751 93.538 1.00 0.00 C ATOM 1363 CD2 TYR A 89 -58.615 15.751 95.369 1.00 0.00 C ATOM 1364 CE1 TYR A 89 -59.228 13.526 93.757 1.00 0.00 C ATOM 1365 CE2 TYR A 89 -57.931 14.533 95.560 1.00 0.00 C ATOM 1366 CZ TYR A 89 -58.276 13.401 94.788 1.00 0.00 C ATOM 1367 OH TYR A 89 -57.689 12.199 95.016 1.00 0.00 O ATOM 0 H TYR A 89 -63.168 15.960 93.905 1.00 0.00 H new ATOM 0 HA TYR A 89 -61.378 16.511 96.200 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -60.859 17.229 93.307 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -60.013 17.935 94.670 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -60.583 14.851 92.726 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -58.376 16.608 95.982 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -59.459 12.676 93.132 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -57.144 14.465 96.296 1.00 0.00 H new ATOM 0 HH TYR A 89 -58.043 11.537 94.386 1.00 0.00 H new ATOM 1377 N ILE A 90 -62.932 18.294 96.717 1.00 0.00 N ATOM 1378 CA ILE A 90 -63.596 19.511 97.173 1.00 0.00 C ATOM 1379 C ILE A 90 -62.637 20.669 96.879 1.00 0.00 C ATOM 1380 O ILE A 90 -61.440 20.544 97.140 1.00 0.00 O ATOM 1381 CB ILE A 90 -63.930 19.421 98.684 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -64.923 18.330 99.150 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -64.540 20.747 99.170 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -64.645 16.888 98.714 1.00 0.00 C ATOM 0 H ILE A 90 -62.728 17.642 97.475 1.00 0.00 H new ATOM 0 HA ILE A 90 -64.545 19.660 96.657 1.00 0.00 H new ATOM 0 HB ILE A 90 -62.958 19.167 99.107 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -64.959 18.351 100.239 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -65.916 18.604 98.793 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -64.771 20.673 100.233 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -63.827 21.556 99.009 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -65.454 20.953 98.613 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -65.419 16.232 99.112 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -64.644 16.831 97.626 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -63.673 16.574 99.094 1.00 0.00 H new ATOM 1396 N VAL A 91 -63.144 21.794 96.367 1.00 0.00 N ATOM 1397 CA VAL A 91 -62.361 23.024 96.184 1.00 0.00 C ATOM 1398 C VAL A 91 -63.063 24.156 96.935 1.00 0.00 C ATOM 1399 O VAL A 91 -64.259 24.357 96.729 1.00 0.00 O ATOM 1400 CB VAL A 91 -62.002 23.336 94.703 1.00 0.00 C ATOM 1401 CG1 VAL A 91 -62.005 22.098 93.791 1.00 0.00 C ATOM 1402 CG2 VAL A 91 -62.832 24.446 94.043 1.00 0.00 C ATOM 0 H VAL A 91 -64.115 21.880 96.065 1.00 0.00 H new ATOM 0 HA VAL A 91 -61.372 22.889 96.621 1.00 0.00 H new ATOM 0 HB VAL A 91 -60.982 23.709 94.797 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -61.746 22.394 92.775 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -61.275 21.376 94.156 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -62.997 21.645 93.795 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -62.502 24.584 93.013 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -63.886 24.167 94.052 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -62.699 25.377 94.594 1.00 0.00 H new ATOM 1412 N ILE A 92 -62.352 24.848 97.838 1.00 0.00 N ATOM 1413 CA ILE A 92 -62.890 25.935 98.681 1.00 0.00 C ATOM 1414 C ILE A 92 -61.992 27.173 98.556 1.00 0.00 C ATOM 1415 O ILE A 92 -60.923 27.234 99.167 1.00 0.00 O ATOM 1416 CB ILE A 92 -63.085 25.505 100.155 1.00 0.00 C ATOM 1417 CG1 ILE A 92 -63.740 24.111 100.255 1.00 0.00 C ATOM 1418 CG2 ILE A 92 -63.845 26.597 100.935 1.00 0.00 C ATOM 1419 CD1 ILE A 92 -64.126 23.655 101.663 1.00 0.00 C ATOM 0 H ILE A 92 -61.363 24.666 98.009 1.00 0.00 H new ATOM 0 HA ILE A 92 -63.887 26.186 98.318 1.00 0.00 H new ATOM 0 HB ILE A 92 -62.108 25.403 100.627 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -64.636 24.106 99.634 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -63.054 23.377 99.831 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -63.975 26.281 101.970 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -63.276 27.526 100.908 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -64.822 26.757 100.479 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -64.577 22.664 101.614 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -63.235 23.618 102.290 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -64.841 24.358 102.090 1.00 0.00 H new ATOM 1431 N GLY A 93 -62.405 28.125 97.713 1.00 0.00 N ATOM 1432 CA GLY A 93 -61.588 29.235 97.206 1.00 0.00 C ATOM 1433 C GLY A 93 -61.497 29.207 95.673 1.00 0.00 C ATOM 1434 O GLY A 93 -62.229 28.464 95.021 1.00 0.00 O ATOM 0 H GLY A 93 -63.358 28.145 97.349 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -62.018 30.183 97.530 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -60.587 29.177 97.633 1.00 0.00 H new ATOM 1438 N VAL A 94 -60.610 30.022 95.085 1.00 0.00 N ATOM 1439 CA VAL A 94 -60.445 30.143 93.616 1.00 0.00 C ATOM 1440 C VAL A 94 -59.064 29.651 93.152 1.00 0.00 C ATOM 1441 O VAL A 94 -58.278 29.160 93.957 1.00 0.00 O ATOM 1442 CB VAL A 94 -60.752 31.575 93.123 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -62.118 32.079 93.604 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -59.661 32.572 93.522 1.00 0.00 C ATOM 0 H VAL A 94 -59.978 30.624 95.613 1.00 0.00 H new ATOM 0 HA VAL A 94 -61.181 29.486 93.153 1.00 0.00 H new ATOM 0 HB VAL A 94 -60.777 31.510 92.035 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -62.285 33.089 93.231 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -62.901 31.420 93.230 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -62.140 32.087 94.694 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -59.922 33.564 93.153 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -59.574 32.600 94.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -58.710 32.263 93.089 1.00 0.00 H new ATOM 1454 N GLY A 95 -58.723 29.793 91.864 1.00 0.00 N ATOM 1455 CA GLY A 95 -57.441 29.343 91.294 1.00 0.00 C ATOM 1456 C GLY A 95 -56.163 29.870 91.976 1.00 0.00 C ATOM 1457 O GLY A 95 -55.096 29.305 91.760 1.00 0.00 O ATOM 0 H GLY A 95 -59.337 30.230 91.177 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -57.419 28.254 91.322 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -57.413 29.635 90.244 1.00 0.00 H new ATOM 1461 N ASN A 96 -56.262 30.908 92.819 1.00 0.00 N ATOM 1462 CA ASN A 96 -55.176 31.441 93.648 1.00 0.00 C ATOM 1463 C ASN A 96 -55.343 31.151 95.159 1.00 0.00 C ATOM 1464 O ASN A 96 -54.580 31.704 95.954 1.00 0.00 O ATOM 1465 CB ASN A 96 -55.026 32.951 93.358 1.00 0.00 C ATOM 1466 CG ASN A 96 -56.173 33.793 93.903 1.00 0.00 C ATOM 1467 OD1 ASN A 96 -57.023 34.264 93.165 1.00 0.00 O ATOM 1468 ND2 ASN A 96 -56.237 33.966 95.208 1.00 0.00 N ATOM 0 H ASN A 96 -57.136 31.418 92.946 1.00 0.00 H new ATOM 0 HA ASN A 96 -54.258 30.920 93.375 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -54.090 33.304 93.790 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -54.956 33.101 92.281 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -57.005 34.500 95.615 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -55.519 33.566 95.811 1.00 0.00 H new ATOM 1475 N SER A 97 -56.363 30.389 95.586 1.00 0.00 N ATOM 1476 CA SER A 97 -56.675 30.196 97.013 1.00 0.00 C ATOM 1477 C SER A 97 -57.390 28.894 97.413 1.00 0.00 C ATOM 1478 O SER A 97 -57.517 28.632 98.609 1.00 0.00 O ATOM 1479 CB SER A 97 -57.497 31.385 97.517 1.00 0.00 C ATOM 1480 OG SER A 97 -58.869 31.325 97.161 1.00 0.00 O ATOM 0 H SER A 97 -56.992 29.891 94.956 1.00 0.00 H new ATOM 0 HA SER A 97 -55.695 30.120 97.484 1.00 0.00 H new ATOM 0 HB2 SER A 97 -57.415 31.437 98.603 1.00 0.00 H new ATOM 0 HB3 SER A 97 -57.068 32.305 97.120 1.00 0.00 H new ATOM 0 HG SER A 97 -59.374 31.972 97.696 1.00 0.00 H new ATOM 1486 N ALA A 98 -57.860 28.089 96.454 1.00 0.00 N ATOM 1487 CA ALA A 98 -58.700 26.916 96.660 1.00 0.00 C ATOM 1488 C ALA A 98 -58.051 25.825 97.525 1.00 0.00 C ATOM 1489 O ALA A 98 -57.202 25.063 97.047 1.00 0.00 O ATOM 1490 CB ALA A 98 -59.135 26.353 95.302 1.00 0.00 C ATOM 0 H ALA A 98 -57.652 28.250 95.468 1.00 0.00 H new ATOM 0 HA ALA A 98 -59.571 27.248 97.225 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -59.763 25.476 95.456 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -59.698 27.111 94.757 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -58.254 26.071 94.726 1.00 0.00 H new ATOM 1496 N LEU A 99 -58.539 25.677 98.765 1.00 0.00 N ATOM 1497 CA LEU A 99 -58.366 24.455 99.550 1.00 0.00 C ATOM 1498 C LEU A 99 -58.892 23.285 98.720 1.00 0.00 C ATOM 1499 O LEU A 99 -60.101 23.161 98.540 1.00 0.00 O ATOM 1500 CB LEU A 99 -59.158 24.508 100.859 1.00 0.00 C ATOM 1501 CG LEU A 99 -58.804 25.632 101.834 1.00 0.00 C ATOM 1502 CD1 LEU A 99 -59.952 25.716 102.836 1.00 0.00 C ATOM 1503 CD2 LEU A 99 -57.493 25.331 102.565 1.00 0.00 C ATOM 0 H LEU A 99 -59.065 26.405 99.249 1.00 0.00 H new ATOM 0 HA LEU A 99 -57.309 24.343 99.792 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -60.216 24.593 100.613 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -59.026 23.557 101.375 1.00 0.00 H new ATOM 0 HG LEU A 99 -58.667 26.573 101.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -59.748 26.507 103.558 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -60.880 25.937 102.308 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -60.049 24.764 103.359 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -57.264 26.146 103.252 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -57.594 24.401 103.125 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -56.686 25.231 101.839 1.00 0.00 H new ATOM 1515 N THR A 100 -57.985 22.487 98.165 1.00 0.00 N ATOM 1516 CA THR A 100 -58.294 21.478 97.153 1.00 0.00 C ATOM 1517 C THR A 100 -58.086 20.103 97.783 1.00 0.00 C ATOM 1518 O THR A 100 -56.976 19.574 97.762 1.00 0.00 O ATOM 1519 CB THR A 100 -57.456 21.729 95.889 1.00 0.00 C ATOM 1520 OG1 THR A 100 -57.722 23.027 95.391 1.00 0.00 O ATOM 1521 CG2 THR A 100 -57.806 20.744 94.772 1.00 0.00 C ATOM 0 H THR A 100 -56.995 22.523 98.410 1.00 0.00 H new ATOM 0 HA THR A 100 -59.332 21.533 96.825 1.00 0.00 H new ATOM 0 HB THR A 100 -56.410 21.610 96.171 1.00 0.00 H new ATOM 0 HG1 THR A 100 -57.221 23.687 95.914 1.00 0.00 H new ATOM 0 HG21 THR A 100 -57.192 20.954 93.896 1.00 0.00 H new ATOM 0 HG22 THR A 100 -57.616 19.726 95.112 1.00 0.00 H new ATOM 0 HG23 THR A 100 -58.859 20.849 94.511 1.00 0.00 H new ATOM 1529 N LEU A 101 -59.136 19.572 98.424 1.00 0.00 N ATOM 1530 CA LEU A 101 -59.039 18.491 99.408 1.00 0.00 C ATOM 1531 C LEU A 101 -59.821 17.226 99.019 1.00 0.00 C ATOM 1532 O LEU A 101 -60.919 17.267 98.466 1.00 0.00 O ATOM 1533 CB LEU A 101 -59.337 18.995 100.839 1.00 0.00 C ATOM 1534 CG LEU A 101 -60.783 19.414 101.179 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -60.966 19.450 102.696 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -61.149 20.821 100.690 1.00 0.00 C ATOM 0 H LEU A 101 -60.093 19.889 98.269 1.00 0.00 H new ATOM 0 HA LEU A 101 -57.999 18.165 99.407 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -59.046 18.209 101.536 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -58.689 19.850 101.033 1.00 0.00 H new ATOM 0 HG LEU A 101 -61.417 18.680 100.682 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -61.988 19.746 102.932 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -60.770 18.461 103.110 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -60.271 20.169 103.129 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -62.180 21.045 100.965 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -60.483 21.551 101.151 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -61.044 20.868 99.606 1.00 0.00 H new ATOM 1548 N HIS A 102 -59.183 16.094 99.316 1.00 0.00 N ATOM 1549 CA HIS A 102 -59.531 14.715 98.985 1.00 0.00 C ATOM 1550 C HIS A 102 -60.784 14.175 99.684 1.00 0.00 C ATOM 1551 O HIS A 102 -60.923 14.299 100.901 1.00 0.00 O ATOM 1552 CB HIS A 102 -58.326 13.840 99.380 1.00 0.00 C ATOM 1553 CG HIS A 102 -57.692 14.107 100.740 1.00 0.00 C ATOM 1554 ND1 HIS A 102 -58.190 14.849 101.802 1.00 0.00 N ATOM 1555 CD2 HIS A 102 -56.437 13.691 101.102 1.00 0.00 C ATOM 1556 CE1 HIS A 102 -57.247 14.882 102.758 1.00 0.00 C ATOM 1557 NE2 HIS A 102 -56.167 14.186 102.379 1.00 0.00 N ATOM 0 H HIS A 102 -58.316 16.126 99.852 1.00 0.00 H new ATOM 0 HA HIS A 102 -59.761 14.688 97.920 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -58.641 12.797 99.352 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -57.556 13.960 98.618 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -59.108 15.291 101.848 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -55.773 13.086 100.503 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -57.346 15.398 103.702 1.00 0.00 H new ATOM 1565 N TRP A 103 -61.639 13.466 98.936 1.00 0.00 N ATOM 1566 CA TRP A 103 -62.752 12.702 99.494 1.00 0.00 C ATOM 1567 C TRP A 103 -63.181 11.507 98.637 1.00 0.00 C ATOM 1568 O TRP A 103 -63.662 11.684 97.515 1.00 0.00 O ATOM 1569 CB TRP A 103 -63.948 13.623 99.683 1.00 0.00 C ATOM 1570 CG TRP A 103 -65.100 12.968 100.368 1.00 0.00 C ATOM 1571 CD1 TRP A 103 -66.256 12.602 99.776 1.00 0.00 C ATOM 1572 CD2 TRP A 103 -65.198 12.537 101.756 1.00 0.00 C ATOM 1573 NE1 TRP A 103 -67.095 12.043 100.720 1.00 0.00 N ATOM 1574 CE2 TRP A 103 -66.493 11.984 101.958 1.00 0.00 C ATOM 1575 CE3 TRP A 103 -64.323 12.547 102.863 1.00 0.00 C ATOM 1576 CZ2 TRP A 103 -66.922 11.522 103.207 1.00 0.00 C ATOM 1577 CZ3 TRP A 103 -64.732 12.049 104.114 1.00 0.00 C ATOM 1578 CH2 TRP A 103 -66.038 11.562 104.296 1.00 0.00 C ATOM 0 H TRP A 103 -61.574 13.409 97.920 1.00 0.00 H new ATOM 0 HA TRP A 103 -62.399 12.298 100.443 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -63.639 14.493 100.261 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -64.274 13.987 98.709 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -66.489 12.727 98.729 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -68.041 11.715 100.525 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -63.325 12.943 102.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -67.924 11.138 103.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -64.037 12.041 104.941 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -66.359 11.220 105.269 1.00 0.00 H new ATOM 1589 N PHE A 104 -63.109 10.302 99.219 1.00 0.00 N ATOM 1590 CA PHE A 104 -63.727 9.089 98.688 1.00 0.00 C ATOM 1591 C PHE A 104 -65.037 8.799 99.440 1.00 0.00 C ATOM 1592 O PHE A 104 -65.012 8.350 100.589 1.00 0.00 O ATOM 1593 CB PHE A 104 -62.735 7.917 98.747 1.00 0.00 C ATOM 1594 CG PHE A 104 -63.162 6.725 97.905 1.00 0.00 C ATOM 1595 CD1 PHE A 104 -64.219 5.897 98.321 1.00 0.00 C ATOM 1596 CD2 PHE A 104 -62.526 6.457 96.680 1.00 0.00 C ATOM 1597 CE1 PHE A 104 -64.661 4.835 97.513 1.00 0.00 C ATOM 1598 CE2 PHE A 104 -62.963 5.396 95.865 1.00 0.00 C ATOM 1599 CZ PHE A 104 -64.036 4.587 96.280 1.00 0.00 C ATOM 0 H PHE A 104 -62.606 10.145 100.093 1.00 0.00 H new ATOM 0 HA PHE A 104 -63.983 9.232 97.638 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -61.757 8.260 98.409 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -62.620 7.599 99.783 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -64.697 6.079 99.272 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -61.696 7.070 96.362 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -65.480 4.211 97.840 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -62.475 5.203 94.921 1.00 0.00 H new ATOM 0 HZ PHE A 104 -64.378 3.777 95.652 1.00 0.00 H new ATOM 1609 N ARG A 105 -66.191 9.062 98.811 1.00 0.00 N ATOM 1610 CA ARG A 105 -67.515 8.832 99.421 1.00 0.00 C ATOM 1611 C ARG A 105 -67.718 7.351 99.772 1.00 0.00 C ATOM 1612 O ARG A 105 -67.285 6.467 99.037 1.00 0.00 O ATOM 1613 CB ARG A 105 -68.593 9.343 98.458 1.00 0.00 C ATOM 1614 CG ARG A 105 -70.008 9.401 99.056 1.00 0.00 C ATOM 1615 CD ARG A 105 -70.987 9.936 98.003 1.00 0.00 C ATOM 1616 NE ARG A 105 -72.323 10.184 98.563 1.00 0.00 N ATOM 1617 CZ ARG A 105 -73.418 10.496 97.885 1.00 0.00 C ATOM 1618 NH1 ARG A 105 -73.451 10.678 96.595 1.00 0.00 N ATOM 1619 NH2 ARG A 105 -74.535 10.734 98.513 1.00 0.00 N ATOM 0 H ARG A 105 -66.237 9.440 97.865 1.00 0.00 H new ATOM 0 HA ARG A 105 -67.586 9.381 100.360 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -68.315 10.341 98.118 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -68.610 8.700 97.578 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -70.317 8.408 99.384 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -70.016 10.044 99.936 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -70.594 10.861 97.581 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -71.065 9.220 97.185 1.00 0.00 H new ATOM 0 HE ARG A 105 -72.417 10.108 99.576 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -72.598 10.582 96.044 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -74.330 10.917 96.136 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -74.569 10.681 99.531 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -75.375 10.974 97.986 1.00 0.00 H new ATOM 1633 N LYS A 106 -68.350 7.075 100.920 1.00 0.00 N ATOM 1634 CA LYS A 106 -68.480 5.773 101.599 1.00 0.00 C ATOM 1635 C LYS A 106 -67.175 5.098 102.044 1.00 0.00 C ATOM 1636 O LYS A 106 -67.216 4.330 103.003 1.00 0.00 O ATOM 1637 CB LYS A 106 -69.436 4.817 100.853 1.00 0.00 C ATOM 1638 CG LYS A 106 -70.918 5.035 101.211 1.00 0.00 C ATOM 1639 CD LYS A 106 -71.399 4.257 102.455 1.00 0.00 C ATOM 1640 CE LYS A 106 -70.622 4.512 103.758 1.00 0.00 C ATOM 1641 NZ LYS A 106 -70.854 5.869 104.310 1.00 0.00 N ATOM 0 H LYS A 106 -68.822 7.813 101.442 1.00 0.00 H new ATOM 0 HA LYS A 106 -68.945 6.029 102.551 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -69.306 4.949 99.779 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -69.162 3.787 101.083 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -71.086 6.099 101.377 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -71.531 4.745 100.358 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -72.447 4.501 102.628 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -71.353 3.191 102.232 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -70.912 3.768 104.500 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -69.556 4.378 103.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -70.151 6.067 105.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -70.764 6.573 103.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -71.810 5.919 104.717 1.00 0.00 H new