USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 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 54 ASN : amide:sc= -1.12 X(o=-1.6,f=-1.9) USER MOD Set 1.2: A 101 GLN :FLIP amide:sc= -0.467 F(o=-2.8,f=-1.6) USER MOD Set 2.1: A 97 THR OG1 : rot 176:sc= -1.27 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.529 USER MOD Set 3.1: A 45 THR OG1 : rot 117:sc= -1.41 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0.0137 USER MOD Set 4.1: A 31 THR OG1 : rot 180:sc= 0.554 USER MOD Set 4.2: A 34 THR OG1 : rot -97:sc= 0.602 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.805 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.909 K(o=-0.91,f=-4.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 151:sc= 0.512 USER MOD Single : A 61 TYR OH : rot 149:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -5.38! C(o=-6.2!,f=-5.4!) USER MOD Single : A 74 THR OG1 : rot 88:sc= -0.51! USER MOD Single : A 77 SER OG : rot 16:sc= 0.121 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0997) USER MOD Single : A 94 THR OG1 : rot -150:sc= 0 USER MOD Single : A 99 SER OG : rot -3:sc= -0.764 USER MOD Single : A 107 SER OG : rot 60:sc= -2.22! USER MOD ----------------------------------------------------------------- ATOM 185 N GLY A 16 -17.171 2.940 1.179 1.00 0.00 N ATOM 186 CA GLY A 16 -16.147 2.183 0.482 1.00 0.00 C ATOM 187 C GLY A 16 -16.696 1.428 -0.712 1.00 0.00 C ATOM 188 O GLY A 16 -17.904 1.386 -0.945 1.00 0.00 O ATOM 0 HA2 GLY A 16 -15.361 2.861 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.687 1.477 1.174 1.00 0.00 H new ATOM 192 N PRO A 17 -15.796 0.814 -1.494 1.00 0.00 N ATOM 193 CA PRO A 17 -14.355 0.857 -1.226 1.00 0.00 C ATOM 194 C PRO A 17 -13.763 2.242 -1.463 1.00 0.00 C ATOM 195 O PRO A 17 -14.209 2.995 -2.329 1.00 0.00 O ATOM 196 CB PRO A 17 -13.778 -0.149 -2.226 1.00 0.00 C ATOM 197 CG PRO A 17 -14.770 -0.190 -3.336 1.00 0.00 C ATOM 198 CD PRO A 17 -16.114 0.032 -2.700 1.00 0.00 C ATOM 0 HA PRO A 17 -14.127 0.624 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.797 0.165 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.652 -1.132 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.557 0.580 -4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.737 -1.149 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.788 0.573 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.601 -0.911 -2.451 1.00 0.00 H new ATOM 206 N PRO A 18 -12.732 2.588 -0.678 1.00 0.00 N ATOM 207 CA PRO A 18 -12.056 3.885 -0.784 1.00 0.00 C ATOM 208 C PRO A 18 -11.245 4.012 -2.070 1.00 0.00 C ATOM 209 O PRO A 18 -10.508 3.100 -2.442 1.00 0.00 O ATOM 210 CB PRO A 18 -11.131 3.903 0.435 1.00 0.00 C ATOM 211 CG PRO A 18 -10.884 2.467 0.746 1.00 0.00 C ATOM 212 CD PRO A 18 -12.147 1.741 0.375 1.00 0.00 C ATOM 0 HA PRO A 18 -12.764 4.713 -0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.200 4.427 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.596 4.416 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.034 2.086 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.651 2.331 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.940 0.734 0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.818 1.640 1.228 1.00 0.00 H new ATOM 220 N ALA A 19 -11.387 5.149 -2.743 1.00 0.00 N ATOM 221 CA ALA A 19 -10.666 5.396 -3.985 1.00 0.00 C ATOM 222 C ALA A 19 -9.181 5.087 -3.829 1.00 0.00 C ATOM 223 O ALA A 19 -8.481 5.683 -3.010 1.00 0.00 O ATOM 224 CB ALA A 19 -10.863 6.836 -4.433 1.00 0.00 C ATOM 0 H ALA A 19 -11.995 5.913 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.070 4.731 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.319 7.006 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.924 7.025 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.487 7.511 -3.664 1.00 0.00 H new ATOM 230 N PRO A 20 -8.686 4.133 -4.631 1.00 0.00 N ATOM 231 CA PRO A 20 -7.279 3.724 -4.600 1.00 0.00 C ATOM 232 C PRO A 20 -6.349 4.802 -5.146 1.00 0.00 C ATOM 233 O PRO A 20 -6.727 5.610 -5.995 1.00 0.00 O ATOM 234 CB PRO A 20 -7.249 2.486 -5.501 1.00 0.00 C ATOM 235 CG PRO A 20 -8.406 2.662 -6.423 1.00 0.00 C ATOM 236 CD PRO A 20 -9.462 3.381 -5.631 1.00 0.00 C ATOM 0 HA PRO A 20 -6.932 3.537 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.311 2.419 -6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.343 1.570 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.119 3.237 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.772 1.699 -6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.055 4.044 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.155 2.684 -5.160 1.00 0.00 H new ATOM 244 N PRO A 21 -5.103 4.817 -4.650 1.00 0.00 N ATOM 245 CA PRO A 21 -4.094 5.791 -5.075 1.00 0.00 C ATOM 246 C PRO A 21 -3.626 5.554 -6.507 1.00 0.00 C ATOM 247 O PRO A 21 -3.981 4.552 -7.127 1.00 0.00 O ATOM 248 CB PRO A 21 -2.943 5.562 -4.092 1.00 0.00 C ATOM 249 CG PRO A 21 -3.104 4.150 -3.643 1.00 0.00 C ATOM 250 CD PRO A 21 -4.584 3.884 -3.636 1.00 0.00 C ATOM 0 HA PRO A 21 -4.483 6.809 -5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.976 5.717 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.997 6.253 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.588 3.465 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.677 4.005 -2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.807 2.848 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.021 4.072 -2.656 1.00 0.00 H new ATOM 258 N GLN A 22 -2.827 6.481 -7.025 1.00 0.00 N ATOM 259 CA GLN A 22 -2.311 6.371 -8.384 1.00 0.00 C ATOM 260 C GLN A 22 -0.896 6.934 -8.477 1.00 0.00 C ATOM 261 O GLN A 22 -0.321 7.361 -7.476 1.00 0.00 O ATOM 262 CB GLN A 22 -3.230 7.106 -9.362 1.00 0.00 C ATOM 263 CG GLN A 22 -4.550 6.394 -9.608 1.00 0.00 C ATOM 264 CD GLN A 22 -5.265 6.902 -10.845 1.00 0.00 C ATOM 265 OE1 GLN A 22 -4.888 6.578 -11.971 1.00 0.00 O ATOM 266 NE2 GLN A 22 -6.304 7.703 -10.641 1.00 0.00 N ATOM 0 H GLN A 22 -2.523 7.316 -6.524 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.280 5.314 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.432 8.105 -8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.711 7.230 -10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.368 5.324 -9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.196 6.525 -8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.582 7.946 -9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.824 8.076 -11.435 1.00 0.00 H new ATOM 275 N ASP A 23 -0.341 6.930 -9.684 1.00 0.00 N ATOM 276 CA ASP A 23 1.006 7.441 -9.907 1.00 0.00 C ATOM 277 C ASP A 23 2.018 6.705 -9.034 1.00 0.00 C ATOM 278 O ASP A 23 3.041 7.267 -8.643 1.00 0.00 O ATOM 279 CB ASP A 23 1.060 8.941 -9.618 1.00 0.00 C ATOM 280 CG ASP A 23 2.110 9.654 -10.448 1.00 0.00 C ATOM 281 OD1 ASP A 23 1.880 9.843 -11.661 1.00 0.00 O ATOM 282 OD2 ASP A 23 3.162 10.022 -9.885 1.00 0.00 O ATOM 0 H ASP A 23 -0.803 6.579 -10.523 1.00 0.00 H new ATOM 0 HA ASP A 23 1.264 7.271 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.083 9.382 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.270 9.097 -8.560 1.00 0.00 H new ATOM 287 N VAL A 24 1.724 5.444 -8.731 1.00 0.00 N ATOM 288 CA VAL A 24 2.608 4.631 -7.904 1.00 0.00 C ATOM 289 C VAL A 24 3.962 4.432 -8.577 1.00 0.00 C ATOM 290 O VAL A 24 4.038 4.029 -9.738 1.00 0.00 O ATOM 291 CB VAL A 24 1.988 3.253 -7.607 1.00 0.00 C ATOM 292 CG1 VAL A 24 2.907 2.434 -6.714 1.00 0.00 C ATOM 293 CG2 VAL A 24 0.616 3.413 -6.970 1.00 0.00 C ATOM 0 H VAL A 24 0.881 4.964 -9.046 1.00 0.00 H new ATOM 0 HA VAL A 24 2.747 5.169 -6.966 1.00 0.00 H new ATOM 0 HB VAL A 24 1.866 2.718 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.452 1.464 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.865 2.290 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.064 2.961 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.192 2.430 -6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.711 3.967 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.040 3.957 -7.650 1.00 0.00 H new ATOM 303 N THR A 25 5.030 4.719 -7.840 1.00 0.00 N ATOM 304 CA THR A 25 6.382 4.572 -8.365 1.00 0.00 C ATOM 305 C THR A 25 7.355 4.154 -7.268 1.00 0.00 C ATOM 306 O THR A 25 7.013 4.157 -6.086 1.00 0.00 O ATOM 307 CB THR A 25 6.881 5.881 -9.005 1.00 0.00 C ATOM 308 OG1 THR A 25 8.312 5.913 -9.004 1.00 0.00 O ATOM 309 CG2 THR A 25 6.341 7.090 -8.256 1.00 0.00 C ATOM 0 H THR A 25 4.985 5.055 -6.878 1.00 0.00 H new ATOM 0 HA THR A 25 6.342 3.795 -9.128 1.00 0.00 H new ATOM 0 HB THR A 25 6.518 5.918 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.621 6.748 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.707 8.003 -8.726 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.251 7.079 -8.284 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.677 7.056 -7.220 1.00 0.00 H new ATOM 317 N VAL A 26 8.571 3.794 -7.668 1.00 0.00 N ATOM 318 CA VAL A 26 9.595 3.375 -6.719 1.00 0.00 C ATOM 319 C VAL A 26 10.882 4.169 -6.912 1.00 0.00 C ATOM 320 O VAL A 26 11.566 4.023 -7.925 1.00 0.00 O ATOM 321 CB VAL A 26 9.906 1.872 -6.856 1.00 0.00 C ATOM 322 CG1 VAL A 26 11.142 1.507 -6.049 1.00 0.00 C ATOM 323 CG2 VAL A 26 8.709 1.039 -6.422 1.00 0.00 C ATOM 0 H VAL A 26 8.870 3.784 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 26 9.200 3.567 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 26 10.110 1.654 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.346 0.442 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.996 2.079 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.971 1.738 -4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.946 -0.020 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.472 1.258 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.851 1.281 -7.049 1.00 0.00 H new ATOM 333 N GLN A 27 11.206 5.008 -5.933 1.00 0.00 N ATOM 334 CA GLN A 27 12.411 5.825 -5.996 1.00 0.00 C ATOM 335 C GLN A 27 13.589 5.109 -5.344 1.00 0.00 C ATOM 336 O GLN A 27 14.471 4.593 -6.029 1.00 0.00 O ATOM 337 CB GLN A 27 12.175 7.173 -5.312 1.00 0.00 C ATOM 338 CG GLN A 27 11.020 7.963 -5.906 1.00 0.00 C ATOM 339 CD GLN A 27 11.457 8.879 -7.032 1.00 0.00 C ATOM 340 OE1 GLN A 27 12.214 9.826 -6.818 1.00 0.00 O ATOM 341 NE2 GLN A 27 10.981 8.601 -8.240 1.00 0.00 N ATOM 0 H GLN A 27 10.651 5.139 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 27 12.650 5.996 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.982 7.005 -4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.085 7.769 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.265 7.271 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.550 8.556 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.356 7.806 -8.371 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.240 9.183 -9.037 1.00 0.00 H new ATOM 350 N ALA A 28 13.596 5.083 -4.015 1.00 0.00 N ATOM 351 CA ALA A 28 14.665 4.429 -3.270 1.00 0.00 C ATOM 352 C ALA A 28 14.385 4.456 -1.771 1.00 0.00 C ATOM 353 O ALA A 28 13.843 5.429 -1.248 1.00 0.00 O ATOM 354 CB ALA A 28 16.000 5.092 -3.571 1.00 0.00 C ATOM 0 H ALA A 28 12.874 5.507 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 28 14.710 3.387 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.789 4.593 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.212 5.016 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.958 6.143 -3.284 1.00 0.00 H new ATOM 360 N GLY A 29 14.757 3.379 -1.085 1.00 0.00 N ATOM 361 CA GLY A 29 14.536 3.300 0.348 1.00 0.00 C ATOM 362 C GLY A 29 15.748 3.737 1.146 1.00 0.00 C ATOM 363 O GLY A 29 16.886 3.484 0.750 1.00 0.00 O ATOM 0 H GLY A 29 15.207 2.561 -1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.684 3.924 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.278 2.276 0.617 1.00 0.00 H new ATOM 367 N VAL A 30 15.505 4.397 2.274 1.00 0.00 N ATOM 368 CA VAL A 30 16.586 4.871 3.130 1.00 0.00 C ATOM 369 C VAL A 30 17.744 3.880 3.153 1.00 0.00 C ATOM 370 O VAL A 30 18.910 4.270 3.231 1.00 0.00 O ATOM 371 CB VAL A 30 16.098 5.108 4.572 1.00 0.00 C ATOM 372 CG1 VAL A 30 17.231 5.633 5.440 1.00 0.00 C ATOM 373 CG2 VAL A 30 14.917 6.066 4.583 1.00 0.00 C ATOM 0 H VAL A 30 14.569 4.616 2.616 1.00 0.00 H new ATOM 0 HA VAL A 30 16.930 5.817 2.711 1.00 0.00 H new ATOM 0 HB VAL A 30 15.767 4.156 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 30 16.867 5.794 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 30 18.043 4.906 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 30 17.596 6.575 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.585 6.222 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.218 7.020 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.100 5.643 3.998 1.00 0.00 H new ATOM 383 N THR A 31 17.416 2.593 3.085 1.00 0.00 N ATOM 384 CA THR A 31 18.428 1.545 3.099 1.00 0.00 C ATOM 385 C THR A 31 18.452 0.786 1.777 1.00 0.00 C ATOM 386 O THR A 31 17.472 0.757 1.033 1.00 0.00 O ATOM 387 CB THR A 31 18.187 0.546 4.247 1.00 0.00 C ATOM 388 OG1 THR A 31 16.788 0.267 4.368 1.00 0.00 O ATOM 389 CG2 THR A 31 18.714 1.098 5.563 1.00 0.00 C ATOM 0 H THR A 31 16.457 2.252 3.020 1.00 0.00 H new ATOM 0 HA THR A 31 19.389 2.036 3.250 1.00 0.00 H new ATOM 0 HB THR A 31 18.722 -0.375 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 31 16.643 -0.370 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.533 0.376 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.785 1.283 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.202 2.032 5.797 1.00 0.00 H new ATOM 397 N PRO A 32 19.596 0.154 1.477 1.00 0.00 N ATOM 398 CA PRO A 32 19.774 -0.618 0.244 1.00 0.00 C ATOM 399 C PRO A 32 18.951 -1.902 0.240 1.00 0.00 C ATOM 400 O PRO A 32 18.984 -2.669 -0.722 1.00 0.00 O ATOM 401 CB PRO A 32 21.270 -0.942 0.241 1.00 0.00 C ATOM 402 CG PRO A 32 21.669 -0.904 1.676 1.00 0.00 C ATOM 403 CD PRO A 32 20.805 0.146 2.318 1.00 0.00 C ATOM 0 HA PRO A 32 19.442 -0.065 -0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.462 -1.921 -0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.831 -0.215 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.520 -1.875 2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.726 -0.658 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 32 20.573 -0.103 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 32 21.295 1.120 2.326 1.00 0.00 H new ATOM 411 N ALA A 33 18.212 -2.129 1.321 1.00 0.00 N ATOM 412 CA ALA A 33 17.378 -3.318 1.441 1.00 0.00 C ATOM 413 C ALA A 33 15.898 -2.959 1.378 1.00 0.00 C ATOM 414 O ALA A 33 15.032 -3.822 1.526 1.00 0.00 O ATOM 415 CB ALA A 33 17.690 -4.053 2.736 1.00 0.00 C ATOM 0 H ALA A 33 18.174 -1.504 2.127 1.00 0.00 H new ATOM 0 HA ALA A 33 17.602 -3.975 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.060 -4.939 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.738 -4.352 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.496 -3.395 3.583 1.00 0.00 H new ATOM 421 N THR A 34 15.612 -1.680 1.157 1.00 0.00 N ATOM 422 CA THR A 34 14.236 -1.206 1.076 1.00 0.00 C ATOM 423 C THR A 34 14.070 -0.189 -0.047 1.00 0.00 C ATOM 424 O THR A 34 15.052 0.277 -0.626 1.00 0.00 O ATOM 425 CB THR A 34 13.783 -0.568 2.403 1.00 0.00 C ATOM 426 OG1 THR A 34 14.459 0.679 2.603 1.00 0.00 O ATOM 427 CG2 THR A 34 14.065 -1.497 3.574 1.00 0.00 C ATOM 0 H THR A 34 16.316 -0.953 1.031 1.00 0.00 H new ATOM 0 HA THR A 34 13.613 -2.076 0.869 1.00 0.00 H new ATOM 0 HB THR A 34 12.708 -0.394 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 34 15.232 0.542 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.737 -1.025 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.526 -2.434 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 34 15.135 -1.699 3.629 1.00 0.00 H new ATOM 435 N ILE A 35 12.822 0.152 -0.350 1.00 0.00 N ATOM 436 CA ILE A 35 12.528 1.115 -1.403 1.00 0.00 C ATOM 437 C ILE A 35 11.485 2.129 -0.946 1.00 0.00 C ATOM 438 O ILE A 35 10.932 2.015 0.148 1.00 0.00 O ATOM 439 CB ILE A 35 12.024 0.418 -2.680 1.00 0.00 C ATOM 440 CG1 ILE A 35 10.933 -0.598 -2.336 1.00 0.00 C ATOM 441 CG2 ILE A 35 13.177 -0.261 -3.404 1.00 0.00 C ATOM 442 CD1 ILE A 35 9.934 -0.814 -3.451 1.00 0.00 C ATOM 0 H ILE A 35 11.998 -0.225 0.119 1.00 0.00 H new ATOM 0 HA ILE A 35 13.461 1.632 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 35 11.598 1.171 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.401 -1.551 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.403 -0.262 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.804 -0.749 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.924 0.484 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.630 -1.005 -2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.190 -1.546 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.439 0.129 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.452 -1.180 -4.338 1.00 0.00 H new ATOM 454 N ARG A 36 11.221 3.120 -1.791 1.00 0.00 N ATOM 455 CA ARG A 36 10.243 4.154 -1.473 1.00 0.00 C ATOM 456 C ARG A 36 9.114 4.168 -2.499 1.00 0.00 C ATOM 457 O ARG A 36 9.301 4.595 -3.639 1.00 0.00 O ATOM 458 CB ARG A 36 10.918 5.526 -1.423 1.00 0.00 C ATOM 459 CG ARG A 36 9.974 6.657 -1.047 1.00 0.00 C ATOM 460 CD ARG A 36 10.736 7.899 -0.614 1.00 0.00 C ATOM 461 NE ARG A 36 11.449 8.520 -1.727 1.00 0.00 N ATOM 462 CZ ARG A 36 11.900 9.769 -1.705 1.00 0.00 C ATOM 463 NH1 ARG A 36 11.713 10.526 -0.633 1.00 0.00 N ATOM 464 NH2 ARG A 36 12.539 10.264 -2.758 1.00 0.00 N ATOM 0 H ARG A 36 11.670 3.229 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 36 9.819 3.929 -0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.736 5.493 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.358 5.740 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.337 6.898 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.318 6.331 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.040 8.619 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.447 7.634 0.169 1.00 0.00 H new ATOM 0 HE ARG A 36 11.609 7.964 -2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.222 10.150 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.060 11.485 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.684 9.685 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.885 11.223 -2.740 1.00 0.00 H new ATOM 478 N VAL A 37 7.941 3.698 -2.087 1.00 0.00 N ATOM 479 CA VAL A 37 6.781 3.657 -2.970 1.00 0.00 C ATOM 480 C VAL A 37 5.973 4.947 -2.877 1.00 0.00 C ATOM 481 O VAL A 37 5.177 5.127 -1.955 1.00 0.00 O ATOM 482 CB VAL A 37 5.864 2.465 -2.636 1.00 0.00 C ATOM 483 CG1 VAL A 37 4.859 2.235 -3.755 1.00 0.00 C ATOM 484 CG2 VAL A 37 6.690 1.212 -2.384 1.00 0.00 C ATOM 0 H VAL A 37 7.769 3.340 -1.147 1.00 0.00 H new ATOM 0 HA VAL A 37 7.160 3.542 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 37 5.311 2.697 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.220 1.389 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.246 3.127 -3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.390 2.023 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.026 0.380 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.270 0.973 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.366 1.384 -1.546 1.00 0.00 H new ATOM 494 N SER A 38 6.184 5.841 -3.837 1.00 0.00 N ATOM 495 CA SER A 38 5.478 7.116 -3.862 1.00 0.00 C ATOM 496 C SER A 38 4.237 7.033 -4.746 1.00 0.00 C ATOM 497 O SER A 38 4.247 6.379 -5.789 1.00 0.00 O ATOM 498 CB SER A 38 6.403 8.226 -4.366 1.00 0.00 C ATOM 499 OG SER A 38 7.595 8.283 -3.601 1.00 0.00 O ATOM 0 H SER A 38 6.838 5.706 -4.608 1.00 0.00 H new ATOM 0 HA SER A 38 5.164 7.349 -2.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.648 8.052 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.887 9.185 -4.314 1.00 0.00 H new ATOM 0 HG SER A 38 8.170 8.999 -3.944 1.00 0.00 H new ATOM 505 N TRP A 39 3.170 7.700 -4.320 1.00 0.00 N ATOM 506 CA TRP A 39 1.920 7.702 -5.072 1.00 0.00 C ATOM 507 C TRP A 39 1.165 9.011 -4.869 1.00 0.00 C ATOM 508 O TRP A 39 1.660 9.928 -4.215 1.00 0.00 O ATOM 509 CB TRP A 39 1.044 6.522 -4.648 1.00 0.00 C ATOM 510 CG TRP A 39 0.725 6.516 -3.183 1.00 0.00 C ATOM 511 CD1 TRP A 39 -0.175 7.315 -2.538 1.00 0.00 C ATOM 512 CD2 TRP A 39 1.305 5.672 -2.183 1.00 0.00 C ATOM 513 NE1 TRP A 39 -0.190 7.018 -1.196 1.00 0.00 N ATOM 514 CE2 TRP A 39 0.709 6.013 -0.953 1.00 0.00 C ATOM 515 CE3 TRP A 39 2.268 4.659 -2.207 1.00 0.00 C ATOM 516 CZ2 TRP A 39 1.047 5.378 0.239 1.00 0.00 C ATOM 517 CZ3 TRP A 39 2.602 4.030 -1.023 1.00 0.00 C ATOM 518 CH2 TRP A 39 1.993 4.391 0.186 1.00 0.00 C ATOM 0 H TRP A 39 3.145 8.246 -3.459 1.00 0.00 H new ATOM 0 HA TRP A 39 2.161 7.604 -6.130 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.114 6.547 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.550 5.592 -4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -0.785 8.069 -3.012 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -0.775 7.472 -0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.742 4.373 -3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.579 5.655 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.345 3.247 -1.030 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.276 3.880 1.094 1.00 0.00 H new ATOM 529 N ARG A 40 -0.035 9.090 -5.434 1.00 0.00 N ATOM 530 CA ARG A 40 -0.858 10.288 -5.315 1.00 0.00 C ATOM 531 C ARG A 40 -2.188 9.969 -4.638 1.00 0.00 C ATOM 532 O ARG A 40 -3.077 9.349 -5.222 1.00 0.00 O ATOM 533 CB ARG A 40 -1.109 10.898 -6.695 1.00 0.00 C ATOM 534 CG ARG A 40 0.146 11.439 -7.360 1.00 0.00 C ATOM 535 CD ARG A 40 0.656 12.686 -6.655 1.00 0.00 C ATOM 536 NE ARG A 40 -0.195 13.846 -6.910 1.00 0.00 N ATOM 537 CZ ARG A 40 -0.248 14.476 -8.078 1.00 0.00 C ATOM 538 NH1 ARG A 40 0.496 14.060 -9.094 1.00 0.00 N ATOM 539 NH2 ARG A 40 -1.048 15.523 -8.232 1.00 0.00 N ATOM 0 H ARG A 40 -0.459 8.339 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.320 11.009 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.555 10.142 -7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.836 11.705 -6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.922 10.673 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.065 11.670 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.705 12.501 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.671 12.901 -6.988 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.780 14.191 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.111 13.254 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.453 14.546 -9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.623 15.845 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.088 16.006 -9.129 1.00 0.00 H new ATOM 553 N PRO A 41 -2.329 10.402 -3.376 1.00 0.00 N ATOM 554 CA PRO A 41 -3.546 10.175 -2.593 1.00 0.00 C ATOM 555 C PRO A 41 -4.728 10.989 -3.108 1.00 0.00 C ATOM 556 O PRO A 41 -4.638 12.201 -3.306 1.00 0.00 O ATOM 557 CB PRO A 41 -3.153 10.633 -1.186 1.00 0.00 C ATOM 558 CG PRO A 41 -2.057 11.619 -1.401 1.00 0.00 C ATOM 559 CD PRO A 41 -1.310 11.148 -2.618 1.00 0.00 C ATOM 0 HA PRO A 41 -3.874 9.137 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.997 11.087 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.817 9.794 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.458 12.621 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.399 11.667 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.912 11.984 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.464 10.514 -2.350 1.00 0.00 H new ATOM 567 N PRO A 42 -5.863 10.311 -3.330 1.00 0.00 N ATOM 568 CA PRO A 42 -7.085 10.952 -3.824 1.00 0.00 C ATOM 569 C PRO A 42 -7.721 11.868 -2.783 1.00 0.00 C ATOM 570 O PRO A 42 -7.768 11.539 -1.598 1.00 0.00 O ATOM 571 CB PRO A 42 -8.008 9.770 -4.130 1.00 0.00 C ATOM 572 CG PRO A 42 -7.528 8.675 -3.241 1.00 0.00 C ATOM 573 CD PRO A 42 -6.042 8.865 -3.115 1.00 0.00 C ATOM 0 HA PRO A 42 -6.889 11.592 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.050 10.018 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.949 9.483 -5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.012 8.724 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.762 7.698 -3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.679 8.557 -2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.498 8.278 -3.855 1.00 0.00 H new ATOM 581 N VAL A 43 -8.210 13.019 -3.234 1.00 0.00 N ATOM 582 CA VAL A 43 -8.844 13.982 -2.342 1.00 0.00 C ATOM 583 C VAL A 43 -9.815 13.292 -1.391 1.00 0.00 C ATOM 584 O VAL A 43 -10.503 12.343 -1.768 1.00 0.00 O ATOM 585 CB VAL A 43 -9.600 15.066 -3.133 1.00 0.00 C ATOM 586 CG1 VAL A 43 -10.242 16.068 -2.186 1.00 0.00 C ATOM 587 CG2 VAL A 43 -8.663 15.765 -4.107 1.00 0.00 C ATOM 0 H VAL A 43 -8.179 13.307 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.048 14.453 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.392 14.586 -3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.772 16.826 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.946 15.552 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.470 16.545 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.214 16.528 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.848 16.233 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.255 15.035 -4.807 1.00 0.00 H new ATOM 597 N LEU A 44 -9.867 13.776 -0.155 1.00 0.00 N ATOM 598 CA LEU A 44 -10.756 13.207 0.853 1.00 0.00 C ATOM 599 C LEU A 44 -11.785 14.234 1.314 1.00 0.00 C ATOM 600 O LEU A 44 -11.440 15.367 1.651 1.00 0.00 O ATOM 601 CB LEU A 44 -9.946 12.706 2.050 1.00 0.00 C ATOM 602 CG LEU A 44 -9.062 11.484 1.799 1.00 0.00 C ATOM 603 CD1 LEU A 44 -8.265 11.137 3.046 1.00 0.00 C ATOM 604 CD2 LEU A 44 -9.906 10.298 1.356 1.00 0.00 C ATOM 0 H LEU A 44 -9.304 14.561 0.174 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.286 12.367 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.313 13.521 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.638 12.469 2.858 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.361 11.724 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.642 10.265 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.632 11.981 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.949 10.916 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.261 9.437 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.631 10.057 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.432 10.549 0.435 1.00 0.00 H new ATOM 616 N THR A 45 -13.051 13.830 1.329 1.00 0.00 N ATOM 617 CA THR A 45 -14.131 14.714 1.750 1.00 0.00 C ATOM 618 C THR A 45 -13.694 15.601 2.911 1.00 0.00 C ATOM 619 O THR A 45 -12.756 15.287 3.644 1.00 0.00 O ATOM 620 CB THR A 45 -15.379 13.915 2.170 1.00 0.00 C ATOM 621 OG1 THR A 45 -15.024 12.925 3.142 1.00 0.00 O ATOM 622 CG2 THR A 45 -16.022 13.244 0.966 1.00 0.00 C ATOM 0 H THR A 45 -13.354 12.896 1.054 1.00 0.00 H new ATOM 0 HA THR A 45 -14.381 15.339 0.893 1.00 0.00 H new ATOM 0 HB THR A 45 -16.098 14.609 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.483 13.116 3.986 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.901 12.686 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.319 14.003 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 45 -15.308 12.562 0.505 1.00 0.00 H new ATOM 630 N PRO A 46 -14.390 16.734 3.084 1.00 0.00 N ATOM 631 CA PRO A 46 -14.092 17.689 4.156 1.00 0.00 C ATOM 632 C PRO A 46 -14.450 17.144 5.534 1.00 0.00 C ATOM 633 O PRO A 46 -14.501 17.887 6.515 1.00 0.00 O ATOM 634 CB PRO A 46 -14.973 18.893 3.813 1.00 0.00 C ATOM 635 CG PRO A 46 -16.098 18.326 3.019 1.00 0.00 C ATOM 636 CD PRO A 46 -15.520 17.171 2.248 1.00 0.00 C ATOM 0 HA PRO A 46 -13.029 17.922 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.335 19.388 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.420 19.638 3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.907 17.995 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.517 19.074 2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.250 16.374 2.111 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.191 17.476 1.255 1.00 0.00 H new ATOM 644 N THR A 47 -14.697 15.839 5.604 1.00 0.00 N ATOM 645 CA THR A 47 -15.051 15.194 6.862 1.00 0.00 C ATOM 646 C THR A 47 -14.147 13.998 7.139 1.00 0.00 C ATOM 647 O THR A 47 -14.160 13.439 8.235 1.00 0.00 O ATOM 648 CB THR A 47 -16.518 14.725 6.860 1.00 0.00 C ATOM 649 OG1 THR A 47 -16.692 13.663 5.915 1.00 0.00 O ATOM 650 CG2 THR A 47 -17.453 15.875 6.516 1.00 0.00 C ATOM 0 H THR A 47 -14.658 15.208 4.803 1.00 0.00 H new ATOM 0 HA THR A 47 -14.917 15.938 7.648 1.00 0.00 H new ATOM 0 HB THR A 47 -16.763 14.365 7.859 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.627 13.370 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 47 -18.484 15.520 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 47 -17.340 16.669 7.254 1.00 0.00 H new ATOM 0 HG23 THR A 47 -17.207 16.261 5.527 1.00 0.00 H new ATOM 658 N GLY A 48 -13.362 13.610 6.138 1.00 0.00 N ATOM 659 CA GLY A 48 -12.463 12.482 6.295 1.00 0.00 C ATOM 660 C GLY A 48 -13.008 11.214 5.669 1.00 0.00 C ATOM 661 O GLY A 48 -13.209 10.211 6.354 1.00 0.00 O ATOM 0 H GLY A 48 -13.333 14.057 5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.501 12.722 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.282 12.311 7.356 1.00 0.00 H new ATOM 665 N LEU A 49 -13.249 11.258 4.363 1.00 0.00 N ATOM 666 CA LEU A 49 -13.776 10.104 3.643 1.00 0.00 C ATOM 667 C LEU A 49 -13.438 10.188 2.158 1.00 0.00 C ATOM 668 O LEU A 49 -13.749 11.178 1.496 1.00 0.00 O ATOM 669 CB LEU A 49 -15.291 10.010 3.829 1.00 0.00 C ATOM 670 CG LEU A 49 -15.796 10.074 5.271 1.00 0.00 C ATOM 671 CD1 LEU A 49 -17.299 10.304 5.301 1.00 0.00 C ATOM 672 CD2 LEU A 49 -15.434 8.799 6.019 1.00 0.00 C ATOM 0 H LEU A 49 -13.088 12.080 3.781 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.310 9.208 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.757 10.819 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.634 9.075 3.386 1.00 0.00 H new ATOM 0 HG LEU A 49 -15.311 10.914 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -17.640 10.347 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -17.533 11.245 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -17.803 9.486 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.801 8.862 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.891 7.943 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.351 8.678 6.028 1.00 0.00 H new ATOM 684 N SER A 50 -12.802 9.142 1.641 1.00 0.00 N ATOM 685 CA SER A 50 -12.421 9.098 0.234 1.00 0.00 C ATOM 686 C SER A 50 -13.631 8.804 -0.648 1.00 0.00 C ATOM 687 O SER A 50 -14.110 9.675 -1.372 1.00 0.00 O ATOM 688 CB SER A 50 -11.342 8.036 0.009 1.00 0.00 C ATOM 689 OG SER A 50 -10.611 8.296 -1.177 1.00 0.00 O ATOM 0 H SER A 50 -12.540 8.314 2.175 1.00 0.00 H new ATOM 0 HA SER A 50 -12.023 10.075 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.663 8.016 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.804 7.051 -0.053 1.00 0.00 H new ATOM 0 HG SER A 50 -9.927 7.605 -1.298 1.00 0.00 H new ATOM 695 N ASN A 51 -14.120 7.570 -0.579 1.00 0.00 N ATOM 696 CA ASN A 51 -15.273 7.160 -1.371 1.00 0.00 C ATOM 697 C ASN A 51 -16.438 6.761 -0.470 1.00 0.00 C ATOM 698 O ASN A 51 -17.229 5.883 -0.812 1.00 0.00 O ATOM 699 CB ASN A 51 -14.900 5.993 -2.288 1.00 0.00 C ATOM 700 CG ASN A 51 -16.052 5.565 -3.176 1.00 0.00 C ATOM 701 OD1 ASN A 51 -17.082 6.236 -3.244 1.00 0.00 O ATOM 702 ND2 ASN A 51 -15.883 4.441 -3.863 1.00 0.00 N ATOM 0 H ASN A 51 -13.736 6.837 0.017 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.583 8.008 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.052 6.280 -2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.578 5.146 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.624 4.102 -4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -15.013 3.916 -3.776 1.00 0.00 H new ATOM 709 N GLY A 52 -16.537 7.415 0.684 1.00 0.00 N ATOM 710 CA GLY A 52 -17.608 7.115 1.617 1.00 0.00 C ATOM 711 C GLY A 52 -17.120 6.359 2.836 1.00 0.00 C ATOM 712 O GLY A 52 -17.846 6.219 3.820 1.00 0.00 O ATOM 0 H GLY A 52 -15.895 8.147 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.080 8.045 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.373 6.526 1.110 1.00 0.00 H new ATOM 716 N ALA A 53 -15.886 5.867 2.771 1.00 0.00 N ATOM 717 CA ALA A 53 -15.302 5.121 3.879 1.00 0.00 C ATOM 718 C ALA A 53 -14.243 5.948 4.600 1.00 0.00 C ATOM 719 O ALA A 53 -13.779 6.965 4.085 1.00 0.00 O ATOM 720 CB ALA A 53 -14.704 3.815 3.378 1.00 0.00 C ATOM 0 H ALA A 53 -15.272 5.972 1.963 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.096 4.895 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.271 3.268 4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.485 3.211 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.927 4.029 2.644 1.00 0.00 H new ATOM 726 N ASN A 54 -13.865 5.505 5.794 1.00 0.00 N ATOM 727 CA ASN A 54 -12.860 6.206 6.586 1.00 0.00 C ATOM 728 C ASN A 54 -11.469 5.637 6.326 1.00 0.00 C ATOM 729 O ASN A 54 -11.170 4.503 6.699 1.00 0.00 O ATOM 730 CB ASN A 54 -13.194 6.105 8.076 1.00 0.00 C ATOM 731 CG ASN A 54 -14.660 6.373 8.360 1.00 0.00 C ATOM 732 OD1 ASN A 54 -15.034 7.473 8.766 1.00 0.00 O ATOM 733 ND2 ASN A 54 -15.497 5.365 8.147 1.00 0.00 N ATOM 0 H ASN A 54 -14.239 4.664 6.235 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.866 7.255 6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.933 5.110 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.583 6.817 8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.495 5.485 8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.142 4.470 7.810 1.00 0.00 H new ATOM 740 N VAL A 55 -10.621 6.434 5.683 1.00 0.00 N ATOM 741 CA VAL A 55 -9.260 6.012 5.374 1.00 0.00 C ATOM 742 C VAL A 55 -8.310 6.333 6.523 1.00 0.00 C ATOM 743 O VAL A 55 -8.130 7.495 6.888 1.00 0.00 O ATOM 744 CB VAL A 55 -8.741 6.686 4.090 1.00 0.00 C ATOM 745 CG1 VAL A 55 -7.345 6.186 3.751 1.00 0.00 C ATOM 746 CG2 VAL A 55 -9.699 6.439 2.935 1.00 0.00 C ATOM 0 H VAL A 55 -10.853 7.375 5.366 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.290 4.933 5.222 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.684 7.761 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.995 6.673 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.666 6.419 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.372 5.107 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.317 6.922 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.790 5.367 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.678 6.851 3.180 1.00 0.00 H new ATOM 756 N THR A 56 -7.704 5.295 7.090 1.00 0.00 N ATOM 757 CA THR A 56 -6.773 5.466 8.199 1.00 0.00 C ATOM 758 C THR A 56 -5.328 5.371 7.722 1.00 0.00 C ATOM 759 O THR A 56 -4.403 5.763 8.433 1.00 0.00 O ATOM 760 CB THR A 56 -7.009 4.413 9.298 1.00 0.00 C ATOM 761 OG1 THR A 56 -6.631 3.116 8.824 1.00 0.00 O ATOM 762 CG2 THR A 56 -8.468 4.397 9.727 1.00 0.00 C ATOM 0 H THR A 56 -7.841 4.327 6.800 1.00 0.00 H new ATOM 0 HA THR A 56 -6.952 6.458 8.613 1.00 0.00 H new ATOM 0 HB THR A 56 -6.396 4.676 10.160 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.783 2.453 9.529 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.611 3.646 10.504 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.744 5.377 10.115 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.097 4.156 8.870 1.00 0.00 H new ATOM 770 N GLY A 57 -5.141 4.848 6.514 1.00 0.00 N ATOM 771 CA GLY A 57 -3.805 4.712 5.964 1.00 0.00 C ATOM 772 C GLY A 57 -3.782 3.883 4.695 1.00 0.00 C ATOM 773 O GLY A 57 -4.831 3.581 4.124 1.00 0.00 O ATOM 0 H GLY A 57 -5.890 4.516 5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.399 5.702 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.155 4.251 6.707 1.00 0.00 H new ATOM 777 N TYR A 58 -2.586 3.515 4.251 1.00 0.00 N ATOM 778 CA TYR A 58 -2.431 2.720 3.039 1.00 0.00 C ATOM 779 C TYR A 58 -1.703 1.412 3.335 1.00 0.00 C ATOM 780 O TYR A 58 -1.241 1.184 4.452 1.00 0.00 O ATOM 781 CB TYR A 58 -1.666 3.513 1.978 1.00 0.00 C ATOM 782 CG TYR A 58 -2.426 4.710 1.452 1.00 0.00 C ATOM 783 CD1 TYR A 58 -3.381 4.567 0.453 1.00 0.00 C ATOM 784 CD2 TYR A 58 -2.189 5.984 1.954 1.00 0.00 C ATOM 785 CE1 TYR A 58 -4.078 5.657 -0.031 1.00 0.00 C ATOM 786 CE2 TYR A 58 -2.882 7.079 1.477 1.00 0.00 C ATOM 787 CZ TYR A 58 -3.825 6.911 0.484 1.00 0.00 C ATOM 788 OH TYR A 58 -4.516 8.001 0.005 1.00 0.00 O ATOM 0 H TYR A 58 -1.709 3.755 4.713 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.425 2.484 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.720 3.851 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -1.425 2.852 1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.582 3.586 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.450 6.120 2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.817 5.528 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -2.687 8.062 1.879 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.591 8.677 0.711 1.00 0.00 H new ATOM 798 N GLY A 59 -1.604 0.555 2.323 1.00 0.00 N ATOM 799 CA GLY A 59 -0.932 -0.719 2.493 1.00 0.00 C ATOM 800 C GLY A 59 -0.220 -1.172 1.234 1.00 0.00 C ATOM 801 O GLY A 59 -0.736 -1.011 0.128 1.00 0.00 O ATOM 0 H GLY A 59 -1.978 0.721 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.210 -0.640 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.661 -1.474 2.786 1.00 0.00 H new ATOM 805 N VAL A 60 0.971 -1.739 1.400 1.00 0.00 N ATOM 806 CA VAL A 60 1.756 -2.216 0.268 1.00 0.00 C ATOM 807 C VAL A 60 1.743 -3.738 0.192 1.00 0.00 C ATOM 808 O VAL A 60 1.814 -4.421 1.214 1.00 0.00 O ATOM 809 CB VAL A 60 3.214 -1.729 0.351 1.00 0.00 C ATOM 810 CG1 VAL A 60 4.029 -2.279 -0.810 1.00 0.00 C ATOM 811 CG2 VAL A 60 3.268 -0.209 0.376 1.00 0.00 C ATOM 0 H VAL A 60 1.413 -1.879 2.308 1.00 0.00 H new ATOM 0 HA VAL A 60 1.295 -1.807 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 60 3.649 -2.101 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.057 -1.924 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.018 -3.368 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.597 -1.939 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.306 0.117 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.814 0.186 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.722 0.160 1.244 1.00 0.00 H new ATOM 821 N TYR A 61 1.653 -4.264 -1.024 1.00 0.00 N ATOM 822 CA TYR A 61 1.629 -5.707 -1.233 1.00 0.00 C ATOM 823 C TYR A 61 2.471 -6.096 -2.445 1.00 0.00 C ATOM 824 O TYR A 61 2.633 -5.312 -3.379 1.00 0.00 O ATOM 825 CB TYR A 61 0.191 -6.193 -1.420 1.00 0.00 C ATOM 826 CG TYR A 61 -0.746 -5.750 -0.319 1.00 0.00 C ATOM 827 CD1 TYR A 61 -1.091 -4.413 -0.169 1.00 0.00 C ATOM 828 CD2 TYR A 61 -1.287 -6.670 0.571 1.00 0.00 C ATOM 829 CE1 TYR A 61 -1.946 -4.004 0.836 1.00 0.00 C ATOM 830 CE2 TYR A 61 -2.143 -6.270 1.579 1.00 0.00 C ATOM 831 CZ TYR A 61 -2.469 -4.936 1.707 1.00 0.00 C ATOM 832 OH TYR A 61 -3.322 -4.533 2.709 1.00 0.00 O ATOM 0 H TYR A 61 1.595 -3.713 -1.880 1.00 0.00 H new ATOM 0 HA TYR A 61 2.054 -6.183 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.186 -5.827 -2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.188 -7.282 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.684 -3.680 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.034 -7.715 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.203 -2.960 0.939 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.554 -6.998 2.263 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.962 -5.250 2.902 1.00 0.00 H new ATOM 842 N ALA A 62 3.004 -7.313 -2.421 1.00 0.00 N ATOM 843 CA ALA A 62 3.826 -7.808 -3.517 1.00 0.00 C ATOM 844 C ALA A 62 3.078 -8.856 -4.335 1.00 0.00 C ATOM 845 O ALA A 62 2.613 -8.579 -5.441 1.00 0.00 O ATOM 846 CB ALA A 62 5.128 -8.386 -2.981 1.00 0.00 C ATOM 0 H ALA A 62 2.881 -7.974 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 62 4.056 -6.969 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.732 -8.752 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.677 -7.611 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.908 -9.209 -2.301 1.00 0.00 H new ATOM 852 N LYS A 63 2.966 -10.060 -3.785 1.00 0.00 N ATOM 853 CA LYS A 63 2.273 -11.149 -4.463 1.00 0.00 C ATOM 854 C LYS A 63 1.011 -11.548 -3.705 1.00 0.00 C ATOM 855 O LYS A 63 0.669 -12.727 -3.625 1.00 0.00 O ATOM 856 CB LYS A 63 3.199 -12.360 -4.605 1.00 0.00 C ATOM 857 CG LYS A 63 4.413 -12.097 -5.479 1.00 0.00 C ATOM 858 CD LYS A 63 4.124 -12.397 -6.940 1.00 0.00 C ATOM 859 CE LYS A 63 3.407 -11.238 -7.615 1.00 0.00 C ATOM 860 NZ LYS A 63 3.702 -11.177 -9.073 1.00 0.00 N ATOM 0 H LYS A 63 3.346 -10.306 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 63 1.985 -10.800 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.534 -12.669 -3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.633 -13.192 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.719 -11.056 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.247 -12.711 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.058 -12.602 -7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.513 -13.297 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.332 -11.340 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.707 -10.302 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.195 -10.374 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.725 -11.054 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.393 -12.060 -9.527 1.00 0.00 H new ATOM 874 N GLY A 64 0.322 -10.555 -3.150 1.00 0.00 N ATOM 875 CA GLY A 64 -0.895 -10.823 -2.406 1.00 0.00 C ATOM 876 C GLY A 64 -0.681 -10.777 -0.906 1.00 0.00 C ATOM 877 O GLY A 64 -1.567 -11.144 -0.135 1.00 0.00 O ATOM 0 H GLY A 64 0.585 -9.571 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.655 -10.093 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.279 -11.804 -2.685 1.00 0.00 H new ATOM 881 N GLN A 65 0.500 -10.328 -0.493 1.00 0.00 N ATOM 882 CA GLN A 65 0.828 -10.239 0.925 1.00 0.00 C ATOM 883 C GLN A 65 1.187 -8.807 1.312 1.00 0.00 C ATOM 884 O GLN A 65 1.930 -8.130 0.601 1.00 0.00 O ATOM 885 CB GLN A 65 1.989 -11.176 1.261 1.00 0.00 C ATOM 886 CG GLN A 65 3.349 -10.496 1.233 1.00 0.00 C ATOM 887 CD GLN A 65 4.452 -11.373 1.791 1.00 0.00 C ATOM 888 OE1 GLN A 65 5.693 -10.918 1.661 1.00 0.00 O flip ATOM 889 NE2 GLN A 65 4.192 -12.447 2.334 1.00 0.00 N flip ATOM 0 H GLN A 65 1.244 -10.021 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.051 -10.541 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.826 -11.602 2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.992 -12.005 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.593 -10.222 0.207 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.300 -9.571 1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.224 -12.758 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.945 -13.026 2.706 1.00 0.00 H new ATOM 898 N ARG A 66 0.654 -8.354 2.441 1.00 0.00 N ATOM 899 CA ARG A 66 0.916 -7.002 2.921 1.00 0.00 C ATOM 900 C ARG A 66 2.334 -6.888 3.475 1.00 0.00 C ATOM 901 O ARG A 66 2.598 -7.265 4.617 1.00 0.00 O ATOM 902 CB ARG A 66 -0.097 -6.615 4.000 1.00 0.00 C ATOM 903 CG ARG A 66 0.019 -5.169 4.454 1.00 0.00 C ATOM 904 CD ARG A 66 -0.600 -4.966 5.828 1.00 0.00 C ATOM 905 NE ARG A 66 -2.016 -5.320 5.849 1.00 0.00 N ATOM 906 CZ ARG A 66 -2.851 -4.958 6.817 1.00 0.00 C ATOM 907 NH1 ARG A 66 -2.413 -4.235 7.838 1.00 0.00 N ATOM 908 NH2 ARG A 66 -4.126 -5.320 6.764 1.00 0.00 N ATOM 0 H ARG A 66 0.038 -8.903 3.041 1.00 0.00 H new ATOM 0 HA ARG A 66 0.817 -6.318 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.104 -6.788 3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.035 -7.269 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.069 -4.878 4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.474 -4.519 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.064 -5.571 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.482 -3.925 6.128 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.385 -5.876 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.433 -3.955 7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.056 -3.958 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.466 -5.877 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.766 -5.042 7.507 1.00 0.00 H new ATOM 922 N VAL A 67 3.242 -6.365 2.658 1.00 0.00 N ATOM 923 CA VAL A 67 4.633 -6.200 3.065 1.00 0.00 C ATOM 924 C VAL A 67 4.807 -4.961 3.936 1.00 0.00 C ATOM 925 O VAL A 67 5.515 -4.991 4.942 1.00 0.00 O ATOM 926 CB VAL A 67 5.566 -6.092 1.845 1.00 0.00 C ATOM 927 CG1 VAL A 67 5.533 -7.376 1.031 1.00 0.00 C ATOM 928 CG2 VAL A 67 5.183 -4.897 0.986 1.00 0.00 C ATOM 0 H VAL A 67 3.040 -6.048 1.710 1.00 0.00 H new ATOM 0 HA VAL A 67 4.902 -7.086 3.640 1.00 0.00 H new ATOM 0 HB VAL A 67 6.585 -5.943 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.199 -7.280 0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.860 -8.209 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.517 -7.560 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.853 -4.836 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.157 -5.013 0.638 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.265 -3.984 1.576 1.00 0.00 H new ATOM 938 N ALA A 68 4.154 -3.872 3.543 1.00 0.00 N ATOM 939 CA ALA A 68 4.235 -2.622 4.289 1.00 0.00 C ATOM 940 C ALA A 68 2.846 -2.056 4.563 1.00 0.00 C ATOM 941 O ALA A 68 1.850 -2.548 4.034 1.00 0.00 O ATOM 942 CB ALA A 68 5.080 -1.609 3.531 1.00 0.00 C ATOM 0 H ALA A 68 3.563 -3.830 2.713 1.00 0.00 H new ATOM 0 HA ALA A 68 4.710 -2.830 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.132 -0.680 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.086 -2.006 3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.629 -1.414 2.558 1.00 0.00 H new ATOM 948 N GLU A 69 2.787 -1.020 5.393 1.00 0.00 N ATOM 949 CA GLU A 69 1.519 -0.389 5.738 1.00 0.00 C ATOM 950 C GLU A 69 1.748 0.928 6.475 1.00 0.00 C ATOM 951 O GLU A 69 2.404 0.963 7.517 1.00 0.00 O ATOM 952 CB GLU A 69 0.674 -1.328 6.601 1.00 0.00 C ATOM 953 CG GLU A 69 1.154 -1.429 8.040 1.00 0.00 C ATOM 954 CD GLU A 69 0.653 -2.680 8.735 1.00 0.00 C ATOM 955 OE1 GLU A 69 -0.540 -2.715 9.105 1.00 0.00 O ATOM 956 OE2 GLU A 69 1.452 -3.623 8.910 1.00 0.00 O ATOM 0 H GLU A 69 3.602 -0.600 5.839 1.00 0.00 H new ATOM 0 HA GLU A 69 0.984 -0.179 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.360 -0.982 6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.680 -2.322 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.244 -1.420 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.819 -0.552 8.593 1.00 0.00 H new ATOM 963 N VAL A 70 1.205 2.009 5.926 1.00 0.00 N ATOM 964 CA VAL A 70 1.349 3.329 6.530 1.00 0.00 C ATOM 965 C VAL A 70 0.020 3.826 7.087 1.00 0.00 C ATOM 966 O VAL A 70 -0.971 3.921 6.363 1.00 0.00 O ATOM 967 CB VAL A 70 1.885 4.355 5.514 1.00 0.00 C ATOM 968 CG1 VAL A 70 0.960 4.448 4.310 1.00 0.00 C ATOM 969 CG2 VAL A 70 2.054 5.716 6.172 1.00 0.00 C ATOM 0 H VAL A 70 0.661 1.997 5.063 1.00 0.00 H new ATOM 0 HA VAL A 70 2.066 3.229 7.345 1.00 0.00 H new ATOM 0 HB VAL A 70 2.862 4.020 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.355 5.178 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.893 3.474 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.032 4.760 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.434 6.429 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.091 6.060 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.759 5.635 6.999 1.00 0.00 H new ATOM 979 N ILE A 71 0.008 4.144 8.377 1.00 0.00 N ATOM 980 CA ILE A 71 -1.199 4.634 9.031 1.00 0.00 C ATOM 981 C ILE A 71 -1.439 6.105 8.710 1.00 0.00 C ATOM 982 O ILE A 71 -1.761 6.900 9.593 1.00 0.00 O ATOM 983 CB ILE A 71 -1.122 4.460 10.559 1.00 0.00 C ATOM 984 CG1 ILE A 71 -0.724 3.025 10.911 1.00 0.00 C ATOM 985 CG2 ILE A 71 -2.454 4.818 11.201 1.00 0.00 C ATOM 986 CD1 ILE A 71 -1.601 1.978 10.261 1.00 0.00 C ATOM 0 H ILE A 71 0.820 4.071 8.990 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.029 4.040 8.647 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.360 5.135 10.949 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.310 2.859 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.764 2.900 11.993 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.383 4.690 12.281 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.700 5.855 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.234 4.166 10.808 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.261 0.985 10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.633 2.118 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.542 2.076 9.177 1.00 0.00 H new ATOM 998 N PHE A 72 -1.283 6.461 7.439 1.00 0.00 N ATOM 999 CA PHE A 72 -1.484 7.837 7.000 1.00 0.00 C ATOM 1000 C PHE A 72 -2.333 7.886 5.733 1.00 0.00 C ATOM 1001 O PHE A 72 -1.933 7.414 4.669 1.00 0.00 O ATOM 1002 CB PHE A 72 -0.136 8.517 6.751 1.00 0.00 C ATOM 1003 CG PHE A 72 -0.200 10.017 6.816 1.00 0.00 C ATOM 1004 CD1 PHE A 72 -0.871 10.650 7.849 1.00 0.00 C ATOM 1005 CD2 PHE A 72 0.412 10.792 5.844 1.00 0.00 C ATOM 1006 CE1 PHE A 72 -0.932 12.030 7.911 1.00 0.00 C ATOM 1007 CE2 PHE A 72 0.355 12.172 5.901 1.00 0.00 C ATOM 1008 CZ PHE A 72 -0.317 12.791 6.936 1.00 0.00 C ATOM 0 H PHE A 72 -1.018 5.816 6.695 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.012 8.370 7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.584 8.160 7.488 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.237 8.219 5.771 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.352 10.059 8.615 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.940 10.312 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.460 12.512 8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.835 12.765 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.362 13.869 6.983 1.00 0.00 H new ATOM 1018 N PRO A 73 -3.535 8.469 5.850 1.00 0.00 N ATOM 1019 CA PRO A 73 -4.467 8.594 4.725 1.00 0.00 C ATOM 1020 C PRO A 73 -3.978 9.585 3.674 1.00 0.00 C ATOM 1021 O PRO A 73 -4.349 9.499 2.503 1.00 0.00 O ATOM 1022 CB PRO A 73 -5.752 9.101 5.383 1.00 0.00 C ATOM 1023 CG PRO A 73 -5.295 9.799 6.618 1.00 0.00 C ATOM 1024 CD PRO A 73 -4.078 9.053 7.088 1.00 0.00 C ATOM 0 HA PRO A 73 -4.589 7.652 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.294 9.778 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.427 8.278 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.058 10.843 6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.074 9.794 7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.359 9.718 7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.335 8.284 7.816 1.00 0.00 H new ATOM 1032 N THR A 74 -3.143 10.528 4.100 1.00 0.00 N ATOM 1033 CA THR A 74 -2.605 11.537 3.197 1.00 0.00 C ATOM 1034 C THR A 74 -1.147 11.248 2.856 1.00 0.00 C ATOM 1035 O THR A 74 -0.404 12.143 2.455 1.00 0.00 O ATOM 1036 CB THR A 74 -2.707 12.948 3.805 1.00 0.00 C ATOM 1037 OG1 THR A 74 -2.198 12.943 5.144 1.00 0.00 O ATOM 1038 CG2 THR A 74 -4.149 13.433 3.808 1.00 0.00 C ATOM 0 H THR A 74 -2.825 10.613 5.065 1.00 0.00 H new ATOM 0 HA THR A 74 -3.204 11.498 2.287 1.00 0.00 H new ATOM 0 HB THR A 74 -2.113 13.627 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.231 13.103 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.196 14.432 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.525 13.464 2.785 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.761 12.751 4.399 1.00 0.00 H new ATOM 1046 N ALA A 75 -0.745 9.991 3.018 1.00 0.00 N ATOM 1047 CA ALA A 75 0.624 9.584 2.724 1.00 0.00 C ATOM 1048 C ALA A 75 0.830 9.394 1.226 1.00 0.00 C ATOM 1049 O ALA A 75 0.006 8.778 0.549 1.00 0.00 O ATOM 1050 CB ALA A 75 0.965 8.304 3.473 1.00 0.00 C ATOM 0 H ALA A 75 -1.347 9.238 3.351 1.00 0.00 H new ATOM 0 HA ALA A 75 1.293 10.377 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.990 8.011 3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.866 8.473 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.284 7.510 3.166 1.00 0.00 H new ATOM 1056 N ASP A 76 1.934 9.926 0.713 1.00 0.00 N ATOM 1057 CA ASP A 76 2.249 9.814 -0.707 1.00 0.00 C ATOM 1058 C ASP A 76 3.579 9.097 -0.913 1.00 0.00 C ATOM 1059 O ASP A 76 4.183 9.184 -1.982 1.00 0.00 O ATOM 1060 CB ASP A 76 2.297 11.201 -1.351 1.00 0.00 C ATOM 1061 CG ASP A 76 3.660 11.852 -1.220 1.00 0.00 C ATOM 1062 OD1 ASP A 76 4.010 12.276 -0.099 1.00 0.00 O ATOM 1063 OD2 ASP A 76 4.376 11.940 -2.240 1.00 0.00 O ATOM 0 H ASP A 76 2.626 10.439 1.259 1.00 0.00 H new ATOM 0 HA ASP A 76 1.463 9.228 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.037 11.118 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.546 11.840 -0.887 1.00 0.00 H new ATOM 1068 N SER A 77 4.030 8.389 0.118 1.00 0.00 N ATOM 1069 CA SER A 77 5.292 7.661 0.051 1.00 0.00 C ATOM 1070 C SER A 77 5.512 6.838 1.317 1.00 0.00 C ATOM 1071 O SER A 77 5.357 7.338 2.432 1.00 0.00 O ATOM 1072 CB SER A 77 6.457 8.633 -0.148 1.00 0.00 C ATOM 1073 OG SER A 77 6.630 9.460 0.989 1.00 0.00 O ATOM 0 H SER A 77 3.541 8.304 1.009 1.00 0.00 H new ATOM 0 HA SER A 77 5.246 6.982 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.373 8.074 -0.338 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.273 9.251 -1.027 1.00 0.00 H new ATOM 0 HG SER A 77 6.142 9.078 1.748 1.00 0.00 H new ATOM 1079 N THR A 78 5.875 5.572 1.137 1.00 0.00 N ATOM 1080 CA THR A 78 6.115 4.679 2.263 1.00 0.00 C ATOM 1081 C THR A 78 7.277 3.734 1.977 1.00 0.00 C ATOM 1082 O THR A 78 7.536 3.385 0.826 1.00 0.00 O ATOM 1083 CB THR A 78 4.863 3.847 2.598 1.00 0.00 C ATOM 1084 OG1 THR A 78 5.022 3.212 3.872 1.00 0.00 O ATOM 1085 CG2 THR A 78 4.610 2.795 1.529 1.00 0.00 C ATOM 0 H THR A 78 6.009 5.142 0.222 1.00 0.00 H new ATOM 0 HA THR A 78 6.363 5.308 3.118 1.00 0.00 H new ATOM 0 HB THR A 78 4.006 4.520 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.221 2.687 4.078 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.721 2.220 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.459 3.283 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.469 2.126 1.466 1.00 0.00 H new ATOM 1093 N ALA A 79 7.973 3.322 3.032 1.00 0.00 N ATOM 1094 CA ALA A 79 9.105 2.415 2.893 1.00 0.00 C ATOM 1095 C ALA A 79 8.638 0.970 2.761 1.00 0.00 C ATOM 1096 O ALA A 79 7.662 0.562 3.392 1.00 0.00 O ATOM 1097 CB ALA A 79 10.046 2.561 4.080 1.00 0.00 C ATOM 0 H ALA A 79 7.772 3.602 3.992 1.00 0.00 H new ATOM 0 HA ALA A 79 9.642 2.680 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 79 10.887 1.878 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.415 3.586 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.511 2.324 5.000 1.00 0.00 H new ATOM 1103 N VAL A 80 9.339 0.199 1.936 1.00 0.00 N ATOM 1104 CA VAL A 80 8.996 -1.202 1.721 1.00 0.00 C ATOM 1105 C VAL A 80 10.244 -2.078 1.709 1.00 0.00 C ATOM 1106 O VAL A 80 11.265 -1.711 1.128 1.00 0.00 O ATOM 1107 CB VAL A 80 8.233 -1.396 0.398 1.00 0.00 C ATOM 1108 CG1 VAL A 80 7.951 -2.871 0.155 1.00 0.00 C ATOM 1109 CG2 VAL A 80 6.941 -0.592 0.406 1.00 0.00 C ATOM 0 H VAL A 80 10.148 0.521 1.405 1.00 0.00 H new ATOM 0 HA VAL A 80 8.354 -1.501 2.549 1.00 0.00 H new ATOM 0 HB VAL A 80 8.857 -1.031 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.411 -2.988 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.893 -3.418 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.347 -3.265 0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.414 -0.741 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.310 -0.925 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.172 0.466 0.530 1.00 0.00 H new ATOM 1119 N GLU A 81 10.153 -3.237 2.353 1.00 0.00 N ATOM 1120 CA GLU A 81 11.276 -4.165 2.416 1.00 0.00 C ATOM 1121 C GLU A 81 11.446 -4.904 1.091 1.00 0.00 C ATOM 1122 O GLU A 81 10.497 -5.490 0.568 1.00 0.00 O ATOM 1123 CB GLU A 81 11.073 -5.171 3.551 1.00 0.00 C ATOM 1124 CG GLU A 81 11.675 -4.726 4.873 1.00 0.00 C ATOM 1125 CD GLU A 81 11.081 -5.459 6.061 1.00 0.00 C ATOM 1126 OE1 GLU A 81 10.786 -6.665 5.927 1.00 0.00 O ATOM 1127 OE2 GLU A 81 10.911 -4.826 7.124 1.00 0.00 O ATOM 0 H GLU A 81 9.314 -3.556 2.838 1.00 0.00 H new ATOM 0 HA GLU A 81 12.180 -3.588 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.005 -5.342 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.515 -6.125 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.752 -4.890 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.519 -3.654 4.997 1.00 0.00 H new ATOM 1134 N LEU A 82 12.661 -4.872 0.554 1.00 0.00 N ATOM 1135 CA LEU A 82 12.956 -5.537 -0.709 1.00 0.00 C ATOM 1136 C LEU A 82 13.028 -7.050 -0.525 1.00 0.00 C ATOM 1137 O LEU A 82 12.721 -7.813 -1.440 1.00 0.00 O ATOM 1138 CB LEU A 82 14.275 -5.019 -1.285 1.00 0.00 C ATOM 1139 CG LEU A 82 14.241 -3.610 -1.879 1.00 0.00 C ATOM 1140 CD1 LEU A 82 15.600 -3.240 -2.453 1.00 0.00 C ATOM 1141 CD2 LEU A 82 13.163 -3.508 -2.947 1.00 0.00 C ATOM 0 H LEU A 82 13.457 -4.392 0.974 1.00 0.00 H new ATOM 0 HA LEU A 82 12.149 -5.312 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.026 -5.041 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.606 -5.710 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 82 14.002 -2.906 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.557 -2.234 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.350 -3.272 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 82 15.869 -3.948 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.153 -2.499 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.371 -4.223 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.191 -3.729 -2.505 1.00 0.00 H new ATOM 1153 N VAL A 83 13.434 -7.476 0.667 1.00 0.00 N ATOM 1154 CA VAL A 83 13.543 -8.898 0.974 1.00 0.00 C ATOM 1155 C VAL A 83 12.210 -9.608 0.769 1.00 0.00 C ATOM 1156 O VAL A 83 12.155 -10.693 0.190 1.00 0.00 O ATOM 1157 CB VAL A 83 14.016 -9.125 2.422 1.00 0.00 C ATOM 1158 CG1 VAL A 83 12.882 -8.863 3.402 1.00 0.00 C ATOM 1159 CG2 VAL A 83 14.562 -10.535 2.589 1.00 0.00 C ATOM 0 H VAL A 83 13.693 -6.857 1.436 1.00 0.00 H new ATOM 0 HA VAL A 83 14.282 -9.314 0.289 1.00 0.00 H new ATOM 0 HB VAL A 83 14.820 -8.421 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.235 -9.029 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.543 -7.832 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.055 -9.540 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.892 -10.678 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.781 -11.258 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 83 15.406 -10.681 1.914 1.00 0.00 H new ATOM 1169 N ARG A 84 11.136 -8.988 1.249 1.00 0.00 N ATOM 1170 CA ARG A 84 9.802 -9.562 1.119 1.00 0.00 C ATOM 1171 C ARG A 84 9.488 -9.885 -0.339 1.00 0.00 C ATOM 1172 O ARG A 84 8.767 -10.839 -0.633 1.00 0.00 O ATOM 1173 CB ARG A 84 8.753 -8.597 1.676 1.00 0.00 C ATOM 1174 CG ARG A 84 8.723 -8.540 3.194 1.00 0.00 C ATOM 1175 CD ARG A 84 7.935 -7.338 3.691 1.00 0.00 C ATOM 1176 NE ARG A 84 8.059 -7.161 5.135 1.00 0.00 N ATOM 1177 CZ ARG A 84 7.329 -7.828 6.022 1.00 0.00 C ATOM 1178 NH1 ARG A 84 6.429 -8.712 5.615 1.00 0.00 N ATOM 1179 NH2 ARG A 84 7.500 -7.613 7.321 1.00 0.00 N ATOM 0 H ARG A 84 11.164 -8.089 1.731 1.00 0.00 H new ATOM 0 HA ARG A 84 9.775 -10.489 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.948 -7.598 1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.769 -8.894 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.278 -9.455 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.742 -8.492 3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.287 -6.439 3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.884 -7.461 3.430 1.00 0.00 H new ATOM 0 HE ARG A 84 8.743 -6.489 5.481 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.295 -8.882 4.618 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.870 -9.223 6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.193 -6.935 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.939 -8.126 8.001 1.00 0.00 H new ATOM 1193 N LEU A 85 10.034 -9.084 -1.247 1.00 0.00 N ATOM 1194 CA LEU A 85 9.812 -9.284 -2.675 1.00 0.00 C ATOM 1195 C LEU A 85 10.618 -10.473 -3.190 1.00 0.00 C ATOM 1196 O LEU A 85 10.221 -11.137 -4.147 1.00 0.00 O ATOM 1197 CB LEU A 85 10.191 -8.022 -3.452 1.00 0.00 C ATOM 1198 CG LEU A 85 9.764 -6.695 -2.825 1.00 0.00 C ATOM 1199 CD1 LEU A 85 10.468 -5.531 -3.506 1.00 0.00 C ATOM 1200 CD2 LEU A 85 8.254 -6.528 -2.905 1.00 0.00 C ATOM 0 H LEU A 85 10.633 -8.290 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 85 8.753 -9.493 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.273 -8.009 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.754 -8.088 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 85 10.053 -6.703 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.151 -4.595 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.547 -5.643 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 85 10.211 -5.520 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.969 -5.578 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.941 -6.542 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.769 -7.344 -2.370 1.00 0.00 H new ATOM 1212 N ARG A 86 11.751 -10.736 -2.547 1.00 0.00 N ATOM 1213 CA ARG A 86 12.613 -11.845 -2.939 1.00 0.00 C ATOM 1214 C ARG A 86 11.936 -13.184 -2.661 1.00 0.00 C ATOM 1215 O ARG A 86 11.799 -14.019 -3.555 1.00 0.00 O ATOM 1216 CB ARG A 86 13.946 -11.771 -2.194 1.00 0.00 C ATOM 1217 CG ARG A 86 14.564 -10.382 -2.187 1.00 0.00 C ATOM 1218 CD ARG A 86 14.892 -9.911 -3.595 1.00 0.00 C ATOM 1219 NE ARG A 86 16.009 -10.652 -4.174 1.00 0.00 N ATOM 1220 CZ ARG A 86 16.242 -10.729 -5.480 1.00 0.00 C ATOM 1221 NH1 ARG A 86 15.441 -10.111 -6.337 1.00 0.00 N ATOM 1222 NH2 ARG A 86 17.280 -11.423 -5.930 1.00 0.00 N ATOM 0 H ARG A 86 12.094 -10.196 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 86 12.799 -11.767 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.796 -12.098 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.647 -12.469 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 86 13.876 -9.679 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.472 -10.390 -1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.013 -10.026 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.134 -8.848 -3.575 1.00 0.00 H new ATOM 0 HE ARG A 86 16.645 -11.137 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 86 14.644 -9.575 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 86 15.622 -10.172 -7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 86 17.899 -11.898 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.458 -11.482 -6.933 1.00 0.00 H new ATOM 1236 N SER A 87 11.514 -13.380 -1.416 1.00 0.00 N ATOM 1237 CA SER A 87 10.855 -14.619 -1.019 1.00 0.00 C ATOM 1238 C SER A 87 9.688 -14.936 -1.949 1.00 0.00 C ATOM 1239 O SER A 87 9.456 -16.093 -2.302 1.00 0.00 O ATOM 1240 CB SER A 87 10.359 -14.518 0.425 1.00 0.00 C ATOM 1241 OG SER A 87 11.349 -14.961 1.337 1.00 0.00 O ATOM 0 H SER A 87 11.617 -12.697 -0.665 1.00 0.00 H new ATOM 0 HA SER A 87 11.583 -15.427 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.090 -13.486 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.456 -15.116 0.545 1.00 0.00 H new ATOM 0 HG SER A 87 11.008 -14.885 2.253 1.00 0.00 H new ATOM 1247 N LEU A 88 8.956 -13.900 -2.342 1.00 0.00 N ATOM 1248 CA LEU A 88 7.811 -14.066 -3.232 1.00 0.00 C ATOM 1249 C LEU A 88 8.237 -13.959 -4.692 1.00 0.00 C ATOM 1250 O LEU A 88 7.473 -14.294 -5.597 1.00 0.00 O ATOM 1251 CB LEU A 88 6.743 -13.016 -2.922 1.00 0.00 C ATOM 1252 CG LEU A 88 6.510 -12.713 -1.441 1.00 0.00 C ATOM 1253 CD1 LEU A 88 6.084 -11.265 -1.253 1.00 0.00 C ATOM 1254 CD2 LEU A 88 5.466 -13.657 -0.861 1.00 0.00 C ATOM 0 H LEU A 88 9.134 -12.936 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 88 7.394 -15.059 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.018 -12.088 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.800 -13.346 -3.358 1.00 0.00 H new ATOM 0 HG LEU A 88 7.447 -12.867 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.923 -11.068 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.864 -10.604 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.159 -11.084 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.313 -13.427 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.526 -13.535 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.810 -14.686 -0.961 1.00 0.00 H new ATOM 1266 N GLU A 89 9.461 -13.491 -4.914 1.00 0.00 N ATOM 1267 CA GLU A 89 9.988 -13.341 -6.265 1.00 0.00 C ATOM 1268 C GLU A 89 9.136 -12.370 -7.077 1.00 0.00 C ATOM 1269 O GLU A 89 8.925 -12.564 -8.274 1.00 0.00 O ATOM 1270 CB GLU A 89 10.044 -14.699 -6.968 1.00 0.00 C ATOM 1271 CG GLU A 89 10.867 -15.737 -6.224 1.00 0.00 C ATOM 1272 CD GLU A 89 10.390 -17.153 -6.479 1.00 0.00 C ATOM 1273 OE1 GLU A 89 9.505 -17.624 -5.735 1.00 0.00 O ATOM 1274 OE2 GLU A 89 10.902 -17.790 -7.424 1.00 0.00 O ATOM 0 H GLU A 89 10.106 -13.209 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 89 10.997 -12.936 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.029 -15.075 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.461 -14.565 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.911 -15.650 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.824 -15.530 -5.155 1.00 0.00 H new ATOM 1281 N ALA A 90 8.648 -11.326 -6.417 1.00 0.00 N ATOM 1282 CA ALA A 90 7.819 -10.324 -7.076 1.00 0.00 C ATOM 1283 C ALA A 90 8.678 -9.247 -7.731 1.00 0.00 C ATOM 1284 O ALA A 90 9.711 -8.849 -7.193 1.00 0.00 O ATOM 1285 CB ALA A 90 6.854 -9.698 -6.080 1.00 0.00 C ATOM 0 H ALA A 90 8.812 -11.151 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 90 7.245 -10.821 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.242 -8.952 -6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.211 -10.472 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.417 -9.221 -5.278 1.00 0.00 H new ATOM 1291 N LYS A 91 8.244 -8.779 -8.897 1.00 0.00 N ATOM 1292 CA LYS A 91 8.972 -7.747 -9.626 1.00 0.00 C ATOM 1293 C LYS A 91 8.238 -6.412 -9.557 1.00 0.00 C ATOM 1294 O LYS A 91 8.585 -5.465 -10.261 1.00 0.00 O ATOM 1295 CB LYS A 91 9.159 -8.163 -11.087 1.00 0.00 C ATOM 1296 CG LYS A 91 10.417 -8.977 -11.332 1.00 0.00 C ATOM 1297 CD LYS A 91 11.667 -8.119 -11.225 1.00 0.00 C ATOM 1298 CE LYS A 91 12.931 -8.958 -11.333 1.00 0.00 C ATOM 1299 NZ LYS A 91 13.137 -9.808 -10.128 1.00 0.00 N ATOM 0 H LYS A 91 7.392 -9.098 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 91 9.950 -7.628 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.293 -8.744 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.188 -7.269 -11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.471 -9.791 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.370 -9.431 -12.322 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.661 -7.366 -12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.663 -7.586 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.872 -9.591 -12.218 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.792 -8.303 -11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.092 -10.220 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.033 -9.227 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.431 -10.571 -10.117 1.00 0.00 H new ATOM 1313 N GLY A 92 7.223 -6.343 -8.701 1.00 0.00 N ATOM 1314 CA GLY A 92 6.458 -5.118 -8.554 1.00 0.00 C ATOM 1315 C GLY A 92 5.586 -5.124 -7.315 1.00 0.00 C ATOM 1316 O GLY A 92 5.313 -6.180 -6.744 1.00 0.00 O ATOM 0 H GLY A 92 6.917 -7.113 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.141 -4.270 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.831 -4.977 -9.435 1.00 0.00 H new ATOM 1320 N VAL A 93 5.149 -3.941 -6.895 1.00 0.00 N ATOM 1321 CA VAL A 93 4.303 -3.814 -5.714 1.00 0.00 C ATOM 1322 C VAL A 93 3.067 -2.972 -6.012 1.00 0.00 C ATOM 1323 O VAL A 93 2.919 -2.431 -7.108 1.00 0.00 O ATOM 1324 CB VAL A 93 5.071 -3.180 -4.539 1.00 0.00 C ATOM 1325 CG1 VAL A 93 6.190 -4.100 -4.075 1.00 0.00 C ATOM 1326 CG2 VAL A 93 5.620 -1.817 -4.935 1.00 0.00 C ATOM 0 H VAL A 93 5.367 -3.057 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 93 3.995 -4.822 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 93 4.379 -3.040 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.722 -3.636 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.768 -5.051 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.883 -4.273 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.160 -1.383 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.298 -1.930 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.796 -1.160 -5.215 1.00 0.00 H new ATOM 1336 N THR A 94 2.180 -2.864 -5.027 1.00 0.00 N ATOM 1337 CA THR A 94 0.956 -2.089 -5.183 1.00 0.00 C ATOM 1338 C THR A 94 0.580 -1.388 -3.883 1.00 0.00 C ATOM 1339 O THR A 94 1.077 -1.736 -2.812 1.00 0.00 O ATOM 1340 CB THR A 94 -0.219 -2.979 -5.632 1.00 0.00 C ATOM 1341 OG1 THR A 94 -0.643 -3.813 -4.549 1.00 0.00 O ATOM 1342 CG2 THR A 94 0.179 -3.843 -6.819 1.00 0.00 C ATOM 0 H THR A 94 2.287 -3.304 -4.113 1.00 0.00 H new ATOM 0 HA THR A 94 1.151 -1.342 -5.952 1.00 0.00 H new ATOM 0 HB THR A 94 -1.042 -2.331 -5.935 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.006 -4.651 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.667 -4.462 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 94 0.473 -3.204 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.016 -4.482 -6.539 1.00 0.00 H new ATOM 1350 N VAL A 95 -0.302 -0.399 -3.983 1.00 0.00 N ATOM 1351 CA VAL A 95 -0.747 0.351 -2.814 1.00 0.00 C ATOM 1352 C VAL A 95 -2.267 0.336 -2.696 1.00 0.00 C ATOM 1353 O VAL A 95 -2.975 0.694 -3.637 1.00 0.00 O ATOM 1354 CB VAL A 95 -0.261 1.811 -2.865 1.00 0.00 C ATOM 1355 CG1 VAL A 95 -0.533 2.512 -1.542 1.00 0.00 C ATOM 1356 CG2 VAL A 95 1.219 1.868 -3.213 1.00 0.00 C ATOM 0 H VAL A 95 -0.723 -0.098 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.314 -0.138 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.815 2.332 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.183 3.543 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.604 2.503 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.008 1.993 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.546 2.907 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.792 1.331 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.382 1.407 -4.187 1.00 0.00 H new ATOM 1366 N ARG A 96 -2.761 -0.081 -1.535 1.00 0.00 N ATOM 1367 CA ARG A 96 -4.198 -0.143 -1.295 1.00 0.00 C ATOM 1368 C ARG A 96 -4.602 0.801 -0.167 1.00 0.00 C ATOM 1369 O ARG A 96 -3.936 0.873 0.867 1.00 0.00 O ATOM 1370 CB ARG A 96 -4.617 -1.574 -0.952 1.00 0.00 C ATOM 1371 CG ARG A 96 -3.922 -2.631 -1.795 1.00 0.00 C ATOM 1372 CD ARG A 96 -4.647 -3.966 -1.722 1.00 0.00 C ATOM 1373 NE ARG A 96 -4.112 -4.932 -2.679 1.00 0.00 N ATOM 1374 CZ ARG A 96 -4.787 -5.993 -3.107 1.00 0.00 C ATOM 1375 NH1 ARG A 96 -6.016 -6.223 -2.666 1.00 0.00 N ATOM 1376 NH2 ARG A 96 -4.232 -6.826 -3.978 1.00 0.00 N ATOM 0 H ARG A 96 -2.188 -0.381 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.708 0.169 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -4.405 -1.763 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.695 -1.669 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.874 -2.298 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.895 -2.754 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.562 -4.370 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.709 -3.813 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.169 -4.784 -3.038 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.445 -5.584 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.532 -7.038 -2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.287 -6.652 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.751 -7.641 -4.306 1.00 0.00 H new ATOM 1390 N THR A 97 -5.698 1.525 -0.372 1.00 0.00 N ATOM 1391 CA THR A 97 -6.190 2.466 0.627 1.00 0.00 C ATOM 1392 C THR A 97 -6.852 1.737 1.790 1.00 0.00 C ATOM 1393 O THR A 97 -7.923 1.147 1.638 1.00 0.00 O ATOM 1394 CB THR A 97 -7.198 3.457 0.016 1.00 0.00 C ATOM 1395 OG1 THR A 97 -6.766 3.853 -1.291 1.00 0.00 O ATOM 1396 CG2 THR A 97 -7.352 4.686 0.899 1.00 0.00 C ATOM 0 H THR A 97 -6.262 1.478 -1.221 1.00 0.00 H new ATOM 0 HA THR A 97 -5.325 3.019 0.994 1.00 0.00 H new ATOM 0 HB THR A 97 -8.165 2.959 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.441 4.437 -1.696 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.069 5.371 0.447 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.710 4.384 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.388 5.184 1.000 1.00 0.00 H new ATOM 1404 N LEU A 98 -6.210 1.781 2.952 1.00 0.00 N ATOM 1405 CA LEU A 98 -6.738 1.125 4.143 1.00 0.00 C ATOM 1406 C LEU A 98 -7.839 1.964 4.785 1.00 0.00 C ATOM 1407 O LEU A 98 -7.709 3.181 4.914 1.00 0.00 O ATOM 1408 CB LEU A 98 -5.616 0.877 5.153 1.00 0.00 C ATOM 1409 CG LEU A 98 -4.391 0.130 4.624 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.373 -0.078 5.735 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -4.800 -1.204 4.017 1.00 0.00 C ATOM 0 H LEU A 98 -5.323 2.264 3.095 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.165 0.169 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.288 1.840 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.026 0.314 5.991 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.929 0.735 3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.508 -0.611 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.056 0.890 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.824 -0.662 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.915 -1.721 3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.286 -1.816 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.492 -1.032 3.193 1.00 0.00 H new ATOM 1423 N SER A 99 -8.921 1.304 5.187 1.00 0.00 N ATOM 1424 CA SER A 99 -10.045 1.990 5.814 1.00 0.00 C ATOM 1425 C SER A 99 -10.756 1.073 6.804 1.00 0.00 C ATOM 1426 O SER A 99 -10.459 -0.119 6.887 1.00 0.00 O ATOM 1427 CB SER A 99 -11.032 2.474 4.750 1.00 0.00 C ATOM 1428 OG SER A 99 -11.317 1.448 3.814 1.00 0.00 O ATOM 0 H SER A 99 -9.043 0.296 5.090 1.00 0.00 H new ATOM 0 HA SER A 99 -9.656 2.851 6.357 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.955 2.801 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.618 3.339 4.232 1.00 0.00 H new ATOM 0 HG SER A 99 -10.779 0.656 4.023 1.00 0.00 H new ATOM 1434 N ALA A 100 -11.697 1.638 7.553 1.00 0.00 N ATOM 1435 CA ALA A 100 -12.453 0.872 8.537 1.00 0.00 C ATOM 1436 C ALA A 100 -13.331 -0.175 7.860 1.00 0.00 C ATOM 1437 O ALA A 100 -13.551 -1.257 8.403 1.00 0.00 O ATOM 1438 CB ALA A 100 -13.301 1.802 9.391 1.00 0.00 C ATOM 0 H ALA A 100 -11.954 2.623 7.497 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.743 0.352 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.860 1.217 10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.655 2.509 9.911 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -13.997 2.348 8.754 1.00 0.00 H new ATOM 1444 N GLN A 101 -13.830 0.155 6.674 1.00 0.00 N ATOM 1445 CA GLN A 101 -14.686 -0.758 5.925 1.00 0.00 C ATOM 1446 C GLN A 101 -13.869 -1.892 5.313 1.00 0.00 C ATOM 1447 O GLN A 101 -14.221 -3.063 5.443 1.00 0.00 O ATOM 1448 CB GLN A 101 -15.434 -0.002 4.825 1.00 0.00 C ATOM 1449 CG GLN A 101 -16.774 0.558 5.275 1.00 0.00 C ATOM 1450 CD GLN A 101 -16.700 1.225 6.635 1.00 0.00 C ATOM 1451 OE1 GLN A 101 -15.751 2.139 6.795 1.00 0.00 O flip ATOM 1452 NE2 GLN A 101 -17.488 0.921 7.531 1.00 0.00 N flip ATOM 0 H GLN A 101 -13.657 1.047 6.211 1.00 0.00 H new ATOM 0 HA GLN A 101 -15.409 -1.188 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.809 0.817 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -15.595 -0.672 3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -17.127 1.280 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -17.507 -0.248 5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.202 0.212 7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -17.427 1.378 8.441 1.00 0.00 H new ATOM 1461 N GLY A 102 -12.775 -1.534 4.647 1.00 0.00 N ATOM 1462 CA GLY A 102 -11.926 -2.533 4.025 1.00 0.00 C ATOM 1463 C GLY A 102 -10.915 -1.924 3.074 1.00 0.00 C ATOM 1464 O GLY A 102 -10.987 -0.737 2.759 1.00 0.00 O ATOM 0 H GLY A 102 -12.462 -0.571 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.401 -3.092 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.547 -3.246 3.483 1.00 0.00 H new ATOM 1468 N GLU A 103 -9.968 -2.738 2.619 1.00 0.00 N ATOM 1469 CA GLU A 103 -8.936 -2.270 1.700 1.00 0.00 C ATOM 1470 C GLU A 103 -9.500 -2.090 0.294 1.00 0.00 C ATOM 1471 O GLU A 103 -10.575 -2.598 -0.025 1.00 0.00 O ATOM 1472 CB GLU A 103 -7.765 -3.255 1.669 1.00 0.00 C ATOM 1473 CG GLU A 103 -7.345 -3.744 3.045 1.00 0.00 C ATOM 1474 CD GLU A 103 -6.749 -5.138 3.012 1.00 0.00 C ATOM 1475 OE1 GLU A 103 -7.420 -6.058 2.499 1.00 0.00 O ATOM 1476 OE2 GLU A 103 -5.612 -5.308 3.499 1.00 0.00 O ATOM 0 H GLU A 103 -9.894 -3.724 2.871 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.580 -1.303 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.039 -4.113 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.912 -2.778 1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.616 -3.051 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.210 -3.738 3.708 1.00 0.00 H new ATOM 1483 N SER A 104 -8.767 -1.361 -0.542 1.00 0.00 N ATOM 1484 CA SER A 104 -9.196 -1.109 -1.913 1.00 0.00 C ATOM 1485 C SER A 104 -8.300 -1.843 -2.906 1.00 0.00 C ATOM 1486 O SER A 104 -7.207 -2.292 -2.560 1.00 0.00 O ATOM 1487 CB SER A 104 -9.179 0.392 -2.207 1.00 0.00 C ATOM 1488 OG SER A 104 -7.853 0.890 -2.243 1.00 0.00 O ATOM 0 H SER A 104 -7.874 -0.935 -0.294 1.00 0.00 H new ATOM 0 HA SER A 104 -10.214 -1.482 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.669 0.584 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.749 0.922 -1.444 1.00 0.00 H new ATOM 0 HG SER A 104 -7.870 1.851 -2.434 1.00 0.00 H new ATOM 1494 N VAL A 105 -8.772 -1.963 -4.143 1.00 0.00 N ATOM 1495 CA VAL A 105 -8.014 -2.641 -5.188 1.00 0.00 C ATOM 1496 C VAL A 105 -6.545 -2.238 -5.151 1.00 0.00 C ATOM 1497 O VAL A 105 -6.186 -1.211 -4.574 1.00 0.00 O ATOM 1498 CB VAL A 105 -8.585 -2.333 -6.585 1.00 0.00 C ATOM 1499 CG1 VAL A 105 -10.034 -2.785 -6.682 1.00 0.00 C ATOM 1500 CG2 VAL A 105 -8.459 -0.849 -6.896 1.00 0.00 C ATOM 0 H VAL A 105 -9.676 -1.600 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.099 -3.711 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.007 -2.887 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.420 -2.559 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.093 -3.859 -6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.629 -2.261 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.867 -0.649 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.011 -0.273 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.408 -0.560 -6.871 1.00 0.00 H new ATOM 1510 N ASP A 106 -5.698 -3.053 -5.770 1.00 0.00 N ATOM 1511 CA ASP A 106 -4.266 -2.782 -5.810 1.00 0.00 C ATOM 1512 C ASP A 106 -3.937 -1.756 -6.891 1.00 0.00 C ATOM 1513 O ASP A 106 -4.217 -1.971 -8.070 1.00 0.00 O ATOM 1514 CB ASP A 106 -3.487 -4.073 -6.061 1.00 0.00 C ATOM 1515 CG ASP A 106 -4.255 -5.054 -6.925 1.00 0.00 C ATOM 1516 OD1 ASP A 106 -5.005 -4.601 -7.815 1.00 0.00 O ATOM 1517 OD2 ASP A 106 -4.106 -6.275 -6.711 1.00 0.00 O ATOM 0 H ASP A 106 -5.979 -3.907 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 106 -3.972 -2.372 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -2.539 -3.834 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.250 -4.542 -5.106 1.00 0.00 H new ATOM 1522 N SER A 107 -3.343 -0.641 -6.480 1.00 0.00 N ATOM 1523 CA SER A 107 -2.980 0.420 -7.412 1.00 0.00 C ATOM 1524 C SER A 107 -2.101 -0.120 -8.536 1.00 0.00 C ATOM 1525 O SER A 107 -1.756 -1.301 -8.555 1.00 0.00 O ATOM 1526 CB SER A 107 -2.252 1.547 -6.677 1.00 0.00 C ATOM 1527 OG SER A 107 -1.040 1.085 -6.106 1.00 0.00 O ATOM 0 H SER A 107 -3.103 -0.449 -5.508 1.00 0.00 H new ATOM 0 HA SER A 107 -3.897 0.814 -7.849 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.043 2.362 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.895 1.950 -5.895 1.00 0.00 H new ATOM 0 HG SER A 107 -0.455 0.742 -6.813 1.00 0.00 H new ATOM 1533 N ALA A 108 -1.743 0.753 -9.470 1.00 0.00 N ATOM 1534 CA ALA A 108 -0.902 0.366 -10.597 1.00 0.00 C ATOM 1535 C ALA A 108 0.370 -0.326 -10.119 1.00 0.00 C ATOM 1536 O ALA A 108 1.257 0.308 -9.548 1.00 0.00 O ATOM 1537 CB ALA A 108 -0.558 1.583 -11.442 1.00 0.00 C ATOM 0 H ALA A 108 -2.022 1.734 -9.470 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.461 -0.341 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.070 1.279 -12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.475 2.034 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.022 2.310 -10.832 1.00 0.00 H new ATOM 1543 N VAL A 109 0.454 -1.631 -10.358 1.00 0.00 N ATOM 1544 CA VAL A 109 1.619 -2.409 -9.953 1.00 0.00 C ATOM 1545 C VAL A 109 2.912 -1.730 -10.389 1.00 0.00 C ATOM 1546 O VAL A 109 3.276 -1.762 -11.564 1.00 0.00 O ATOM 1547 CB VAL A 109 1.575 -3.832 -10.540 1.00 0.00 C ATOM 1548 CG1 VAL A 109 1.441 -3.781 -12.055 1.00 0.00 C ATOM 1549 CG2 VAL A 109 2.815 -4.614 -10.133 1.00 0.00 C ATOM 0 H VAL A 109 -0.271 -2.172 -10.830 1.00 0.00 H new ATOM 0 HA VAL A 109 1.595 -2.472 -8.865 1.00 0.00 H new ATOM 0 HB VAL A 109 0.701 -4.345 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.412 -4.796 -12.452 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.521 -3.260 -12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.294 -3.251 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.768 -5.617 -10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.704 -4.105 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.863 -4.681 -9.046 1.00 0.00 H new ATOM 1559 N ALA A 110 3.602 -1.115 -9.434 1.00 0.00 N ATOM 1560 CA ALA A 110 4.857 -0.430 -9.719 1.00 0.00 C ATOM 1561 C ALA A 110 6.019 -1.416 -9.784 1.00 0.00 C ATOM 1562 O ALA A 110 6.562 -1.819 -8.756 1.00 0.00 O ATOM 1563 CB ALA A 110 5.126 0.637 -8.668 1.00 0.00 C ATOM 0 H ALA A 110 3.313 -1.077 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 110 4.767 0.050 -10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.066 1.141 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.314 1.365 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.190 0.171 -7.685 1.00 0.00 H new ATOM 1569 N ALA A 111 6.394 -1.802 -10.999 1.00 0.00 N ATOM 1570 CA ALA A 111 7.492 -2.740 -11.198 1.00 0.00 C ATOM 1571 C ALA A 111 8.787 -2.205 -10.596 1.00 0.00 C ATOM 1572 O ALA A 111 9.341 -1.214 -11.071 1.00 0.00 O ATOM 1573 CB ALA A 111 7.676 -3.030 -12.680 1.00 0.00 C ATOM 0 H ALA A 111 5.953 -1.480 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 111 7.241 -3.669 -10.686 1.00 0.00 H new ATOM 0 HB1 ALA A 111 8.499 -3.732 -12.814 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.760 -3.464 -13.082 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.900 -2.103 -13.207 1.00 0.00 H new ATOM 1579 N VAL A 112 9.264 -2.867 -9.547 1.00 0.00 N ATOM 1580 CA VAL A 112 10.495 -2.458 -8.880 1.00 0.00 C ATOM 1581 C VAL A 112 11.703 -2.650 -9.790 1.00 0.00 C ATOM 1582 O VAL A 112 11.843 -3.666 -10.471 1.00 0.00 O ATOM 1583 CB VAL A 112 10.716 -3.248 -7.577 1.00 0.00 C ATOM 1584 CG1 VAL A 112 12.036 -2.854 -6.931 1.00 0.00 C ATOM 1585 CG2 VAL A 112 9.557 -3.028 -6.617 1.00 0.00 C ATOM 0 H VAL A 112 8.817 -3.689 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 112 10.389 -1.400 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 112 10.760 -4.310 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.175 -3.422 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.855 -3.068 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.025 -1.789 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.730 -3.594 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.478 -1.967 -6.378 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.630 -3.365 -7.082 1.00 0.00 H new ATOM 1595 N PRO A 113 12.599 -1.652 -9.803 1.00 0.00 N ATOM 1596 CA PRO A 113 13.812 -1.688 -10.624 1.00 0.00 C ATOM 1597 C PRO A 113 14.820 -2.718 -10.124 1.00 0.00 C ATOM 1598 O PRO A 113 14.963 -2.950 -8.924 1.00 0.00 O ATOM 1599 CB PRO A 113 14.378 -0.273 -10.483 1.00 0.00 C ATOM 1600 CG PRO A 113 13.853 0.217 -9.178 1.00 0.00 C ATOM 1601 CD PRO A 113 12.496 -0.412 -9.016 1.00 0.00 C ATOM 0 HA PRO A 113 13.599 -1.976 -11.654 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.468 -0.280 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 113 14.055 0.366 -11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.515 -0.066 -8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 113 13.783 1.305 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.271 -0.618 -7.970 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.705 0.237 -9.391 1.00 0.00 H new ATOM 1609 N PRO A 114 15.537 -3.351 -11.065 1.00 0.00 N ATOM 1610 CA PRO A 114 16.545 -4.365 -10.743 1.00 0.00 C ATOM 1611 C PRO A 114 17.775 -3.766 -10.069 1.00 0.00 C ATOM 1612 O PRO A 114 18.584 -4.485 -9.484 1.00 0.00 O ATOM 1613 CB PRO A 114 16.914 -4.945 -12.111 1.00 0.00 C ATOM 1614 CG PRO A 114 16.605 -3.857 -13.080 1.00 0.00 C ATOM 1615 CD PRO A 114 15.419 -3.124 -12.515 1.00 0.00 C ATOM 0 HA PRO A 114 16.167 -5.106 -10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.967 -5.224 -12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.337 -5.844 -12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 114 17.457 -3.187 -13.200 1.00 0.00 H new ATOM 0 HG3 PRO A 114 16.379 -4.264 -14.065 1.00 0.00 H new ATOM 0 HD2 PRO A 114 15.449 -2.062 -12.759 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.480 -3.515 -12.908 1.00 0.00 H new ATOM 1623 N GLU A 115 17.908 -2.447 -10.155 1.00 0.00 N ATOM 1624 CA GLU A 115 19.041 -1.753 -9.553 1.00 0.00 C ATOM 1625 C GLU A 115 18.892 -1.683 -8.036 1.00 0.00 C ATOM 1626 O GLU A 115 19.868 -1.825 -7.298 1.00 0.00 O ATOM 1627 CB GLU A 115 19.168 -0.341 -10.130 1.00 0.00 C ATOM 1628 CG GLU A 115 18.280 0.680 -9.440 1.00 0.00 C ATOM 1629 CD GLU A 115 18.330 2.042 -10.106 1.00 0.00 C ATOM 1630 OE1 GLU A 115 19.434 2.616 -10.201 1.00 0.00 O ATOM 1631 OE2 GLU A 115 17.263 2.532 -10.533 1.00 0.00 O ATOM 0 H GLU A 115 17.246 -1.837 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 115 19.945 -2.316 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.206 -0.018 -10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 115 18.920 -0.368 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 115 17.252 0.319 -9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.586 0.778 -8.399 1.00 0.00 H new ATOM 1638 N LEU A 116 17.665 -1.461 -7.578 1.00 0.00 N ATOM 1639 CA LEU A 116 17.387 -1.372 -6.149 1.00 0.00 C ATOM 1640 C LEU A 116 17.337 -2.758 -5.515 1.00 0.00 C ATOM 1641 O LEU A 116 17.749 -2.945 -4.370 1.00 0.00 O ATOM 1642 CB LEU A 116 16.063 -0.642 -5.912 1.00 0.00 C ATOM 1643 CG LEU A 116 15.956 0.763 -6.505 1.00 0.00 C ATOM 1644 CD1 LEU A 116 14.540 1.298 -6.357 1.00 0.00 C ATOM 1645 CD2 LEU A 116 16.954 1.700 -5.841 1.00 0.00 C ATOM 0 H LEU A 116 16.847 -1.339 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 116 18.195 -0.809 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 116 15.257 -1.250 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.896 -0.575 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 116 16.192 0.707 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.483 2.299 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 116 13.846 0.640 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.275 1.339 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.863 2.695 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.749 1.751 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.965 1.326 -5.999 1.00 0.00 H new ATOM 1657 N LEU A 117 16.831 -3.729 -6.268 1.00 0.00 N ATOM 1658 CA LEU A 117 16.729 -5.100 -5.782 1.00 0.00 C ATOM 1659 C LEU A 117 18.110 -5.674 -5.477 1.00 0.00 C ATOM 1660 O LEU A 117 18.277 -6.450 -4.536 1.00 0.00 O ATOM 1661 CB LEU A 117 16.017 -5.977 -6.813 1.00 0.00 C ATOM 1662 CG LEU A 117 14.528 -5.696 -7.018 1.00 0.00 C ATOM 1663 CD1 LEU A 117 14.047 -6.295 -8.331 1.00 0.00 C ATOM 1664 CD2 LEU A 117 13.716 -6.242 -5.852 1.00 0.00 C ATOM 0 H LEU A 117 16.485 -3.592 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 117 16.148 -5.089 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 117 16.524 -5.861 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.132 -7.019 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 117 14.385 -4.616 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.985 -6.085 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 117 14.606 -5.857 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.204 -7.373 -8.318 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.659 -6.033 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.865 -7.319 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 117 14.042 -5.766 -4.927 1.00 0.00 H new ATOM 1676 N VAL A 118 19.096 -5.286 -6.279 1.00 0.00 N ATOM 1677 CA VAL A 118 20.463 -5.758 -6.093 1.00 0.00 C ATOM 1678 C VAL A 118 21.232 -4.854 -5.137 1.00 0.00 C ATOM 1679 O VAL A 118 21.219 -3.629 -5.257 1.00 0.00 O ATOM 1680 CB VAL A 118 21.219 -5.831 -7.434 1.00 0.00 C ATOM 1681 CG1 VAL A 118 21.318 -4.451 -8.066 1.00 0.00 C ATOM 1682 CG2 VAL A 118 22.600 -6.436 -7.234 1.00 0.00 C ATOM 0 H VAL A 118 18.974 -4.646 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 118 20.397 -6.759 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 118 20.660 -6.476 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.855 -4.522 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 118 20.316 -4.060 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.854 -3.781 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 118 23.120 -6.480 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 118 23.170 -5.819 -6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 118 22.501 -7.443 -6.828 1.00 0.00 H new